smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1	6427503	CQFDETBFMQGVOP-FOWTUZBSSA-N	306.365	3.803	50	20	DHGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1O	22130874	LZZNIEZMTSKVBK-UHFFFAOYSA-N	316.360	3.575	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc(C)c1O	48264934	IWGMYWCBMMWPAT-GDNBJRDFSA-N	303.365	3.960	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2ccc(F)cc2F)c1	84631710	AALOYOGHGPDEFX-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
CN(C[C@@H]1CCCOC1)C(=O)CCCC[C@H]1CCSS1	107650550	RBSXTBWRYPQDOV-KBPBESRZSA-N	317.520	3.586	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)C(=O)c1cc2ccccc2o1	122018890	WMKRYBCVFHKTDM-WDZFZDKYSA-N	311.728	3.610	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2ccc(Cl)cc2)c1C	129366217	DGXLDHUAMIVRFT-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(C#N)c2)oc2c(C)cccc12	152471550	SMAOTZXKFSMJCL-UHFFFAOYSA-N	305.337	3.678	50	20	DHGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNc2cccc(F)c2)c1	154615677	ZNWSBRADTIBWJZ-UHFFFAOYSA-N	314.360	3.549	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)Nc1cccc(F)c1	178622693	MOMWMLPXTCFBTI-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)CCO1	184110062	BYWPKPJHCOCLQM-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
CCCCCCCOc1cccc(/C=C(/C#N)S(C)(=O)=O)c1	195089851	ARDMWBMNVANNKQ-LGMDPLHJSA-N	321.442	3.945	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1F	195502115	WTRBNZYKTCAPCD-JLHYYAGUSA-N	307.328	3.785	50	20	DHGD	
CSC[C@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	303319238	HLAMRHQMZACGHB-AWEZNQCLSA-N	312.438	3.554	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@H]1c1ccccc1	490908860	LYIOXJBNCFRQML-DTRJBCNISA-N	318.376	3.519	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1ccccc1C(F)(F)F	492536911	NHRULDLJEOWULE-VOTSOKGWSA-N	321.302	3.565	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)Cc1nc(C)cs1	725856522	REZOBTYTIMVVMA-LZSYLOPRSA-N	305.447	3.789	50	20	DHGD	
C[C@H](CCC1CCCCC1)NC(=O)NNC(=O)CC(C)(C)C	734536570	NYTDIHJOFIXPIY-CYBMUJFWSA-N	311.470	3.502	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)c1cc2c(s1)CCC2	735269931	LAILVHIIYOBSRL-GFCCVEGCSA-N	322.474	3.604	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1C[C@@H]1c1ccc(F)cc1	748589273	VXUSGOFYPULEAQ-MSOLQXFVSA-N	324.399	3.951	50	20	DHGD	
CC[C@@H]1CC(=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CCO1	756823529	KCWIUHMVSXIACW-SMDDNHRTSA-N	320.458	3.548	50	20	DHGD	
COc1ccccc1COC(=O)[C@@H](Br)C(C)(C)C	766745641	HDFROCJPYWGWBB-GFCCVEGCSA-N	315.207	3.548	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1cncc(C)c1	767376315	BSAYIMWQEVXTIZ-UHFFFAOYSA-N	322.195	3.851	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)C1CCCCC1	767735388	BYZBXQPLPDZCAI-JXMROGBWSA-N	312.200	3.783	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1c(F)cccc1Cl	771672838	QSAPNCQSZUONPF-CQSZACIVSA-N	321.783	3.813	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1cccc(-c2ccoc2)c1	772842269	UOIOGBUSNIOYCV-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
CCCC(CC)=NNC(=O)c1cc(F)ccc1Br	776181669	YNIQACKLERFUBD-UHFFFAOYSA-N	315.186	3.884	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	780992404	SRKAUCVTGJVKHH-ZHACJKMWSA-N	316.323	3.817	50	20	DHGD	
O=C(NN=Cc1scnc1C1CC1)c1ccc2ccccc2c1	782206009	NXORYMDUZYUAOI-UHFFFAOYSA-N	321.405	3.938	50	20	DHGD	
COC1CCC(=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1	783811418	SZBZMCBJYPSQDH-YNODCEANSA-N	320.458	3.548	50	20	DHGD	
Cc1ccccc1-c1cnc(COC(=O)/C(C#N)=C\C2CC2)o1	786678262	QCTDVPHAILLYAP-ZSOIEALJSA-N	308.337	3.553	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1	790829691	MMBVOQBTBKOJOV-GJZGRUSLSA-N	324.515	3.708	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@H](CC#N)c1ccccc1	793838233	HLJJSJROYFMAKV-HNNXBMFYSA-N	311.360	3.665	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1ccc(OCC(F)(F)F)cc1	802830316	REMUYSAFYMCPLV-LLVKDONJSA-N	318.339	3.897	50	20	DHGD	
OCCN(Cc1ccc(OCCCCl)cc1)c1ccccc1	811492859	BYBHGEJLSRZSJL-UHFFFAOYSA-N	319.832	3.693	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1noc2c1CCCC2	812769224	XJRDOFYITKWTNP-UHFFFAOYSA-N	313.401	3.742	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cnc2c(F)cccc2c1	814269385	YRQWTEVQPWTCRY-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@@H](C)c2ccncc2)cc1	838507971	UCOJEKTXYASRSA-CQSZACIVSA-N	312.417	3.635	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1F	844547661	HHBQQHZWPDWMCI-NUBYWOLOSA-N	305.349	3.755	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1cccc(F)c1F	851904802	CAOPGLFXEGAJGU-QWRKXWFKSA-N	304.178	3.789	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2cc(F)ccc2C)c1	855367728	ZMCBSAFERWPKGQ-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3ccc(O)cc32)C[C@@H]1Br	857083122	TYXDCPSMQAINFX-SOUVJXGZSA-N	310.235	3.533	50	20	DHGD	
C[C@@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)C[C@H]2CC[C@H]1C2	862041645	CMMYWZLACVCKOC-UINNMSKDSA-N	314.216	3.658	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	915956441	TZWMCLCTIHRTHZ-GFCCVEGCSA-N	317.433	3.560	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@H](C)c2ccccc2)cc1	916345815	NKVHFTPYGUYOGR-HNNXBMFYSA-N	312.438	3.993	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)cc1C	918108365	BMDIJYMPQCGGKV-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
Cn1c(/C(C#N)=C2\COc3ccc(F)cc32)nc2ccccc21	918155842	XNMWMIFMXSINIF-BUHFOSPRSA-N	305.312	3.539	50	20	DHGD	
O=C(CCl)N[C@H](c1ccc(Br)cc1)C1CCC1	1324702381	WYSJYGZTQUIHCF-ZDUSSCGKSA-N	316.626	3.645	50	20	DHGD	
CC(C)(C)[C@H]1C[C@@H](NC(=O)c2cccc(CCl)c2)CCO1	1335836662	GSTOJTOKIDGUOE-LSDHHAIUSA-N	309.837	3.749	50	20	DHGD	
ClCc1cnn2cc(Br)cc(Br)c12	1525646485	FZJGYEPQSSVYLE-UHFFFAOYSA-N	324.403	3.598	50	20	DHGD	
CC(C)CC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccccc1	1776094767	KSWHGKYGOCSTQV-UHFFFAOYSA-N	324.380	3.565	50	20	DHGD	
N#C/C(=C/c1cccc(OC2CCCC2)c1)C(=O)N1CCCC1	54802004	SQNDCPCPOGWWSD-VBKFSLOCSA-N	310.397	3.537	50	20	DHGD	
Cc1ncsc1CNC(=O)CCCC[C@@H]1CCSS1	104466688	FBCBUMYHKJKHOZ-LLVKDONJSA-N	316.517	3.782	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2cc(Cl)ccc2Cl)c1	109426755	JBUVLYCUPYODMY-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C#N)c2)cc1	111891875	VVWPLXMPSRZPOH-YBEGLDIGSA-N	317.348	3.503	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ncccc2Cl)cc1	114885744	QYJBYIOWIIBSAJ-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc2c1CCCC2)c1ccncc1	120259221	JDUOAXAYNJHXKT-CQSZACIVSA-N	309.413	3.597	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(F)cc1)c1ccc(OC)cc1	155030688	AXIXEWPLWMMAGV-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cc(F)cc(F)c1)c1ccccc1	158671500	UUHQWRINWRSPDK-IWTIEGKHSA-N	312.319	3.749	50	20	DHGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccccc3)c2)c1	161588776	QQJGUYCMDHNMEN-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cnc3ccccc3n2)cc1	163608559	BCNRUAMTYYFVGV-UHFFFAOYSA-N	320.396	3.684	50	20	DHGD	
CNC(=O)c1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1	176918946	YDKLKLHJTSPSSN-RIYZIHGNSA-N	311.410	3.690	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnn(CC(C)C)c1	180697444	ALGXFDUMYQWAHJ-CAOOACKPSA-N	322.412	3.702	50	20	DHGD	
CCCCn1cc(C(=O)NNc2c(F)cccc2Cl)c(C)n1	185441920	UFGWUUSKXYYMER-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1F	212593000	REWKLKUGOKFLBX-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
COc1ccc([C@@H]2CCCN2C[C@@H](C)CBr)cc1	248791532	YARGZHIVOJCSNT-WFASDCNBSA-N	312.251	3.863	50	20	DHGD	
O=C(/C=C\c1ccc(O)cc1)NNc1ccccc1C(F)(F)F	255619360	WSJCEDSKBXYCFP-YFHOEESVSA-N	322.286	3.568	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H](C)c1c(C)noc1C	281886763	XUCLUOPJJHHZOF-LBPRGKRZSA-N	315.417	3.799	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCCC[C@H]1C(F)(F)F	293764239	URIIQOAJWRBMLW-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccnc1C)c1ccccc1	490696258	ONNPGJUNSZKTSQ-WQJNHMDYSA-N	305.381	3.565	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NN=c1cc[nH]c2ccccc12	734092351	KWGPJBCAPRSWLA-HNNXBMFYSA-N	311.429	3.706	50	20	DHGD	
O=C(NNC(=O)C1CCCCCCC1)c1cccc2ccccc12	741576705	RUUQTUZLVJYOLD-UHFFFAOYSA-N	324.424	3.961	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1)NC1CCCC1	743531200	JWMCFADTIDQWBN-UHFFFAOYSA-N	300.189	3.569	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(C)c(-n3cccc3)c2)cc1	746885945	FVSSVAJCVCEIEM-UHFFFAOYSA-N	321.380	3.551	50	20	DHGD	
COCC(C)=NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2	750934358	DUNZVJNWJQYSQH-CYBMUJFWSA-N	322.474	3.651	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cccc([C@@H]2CCOC2)c1	761242347	AVEWNQDTTGHNMP-CQSZACIVSA-N	316.788	3.601	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ncc[nH]1	771580300	MHAFBFATAJTRFP-RYUDHWBXSA-N	313.492	3.691	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)[C@@H](CC)c1ccccc1	779777896	VYJVOPLWJQBQTK-KRWDZBQOSA-N	309.413	3.678	50	20	DHGD	
CS[C@@H]1CC[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C1	780834552	MTJUDNNPWHJALV-LSDHHAIUSA-N	321.490	3.894	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)NCc1cccc(C)c1	786049651	IXEZNWVJYFQIMB-PDGQHHTCSA-N	320.392	3.617	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C[C@@H](C)c1ccc(C(F)(F)F)cc1	788995255	UOAGUROVWXSUOT-GHMZBOCLSA-N	300.324	3.957	50	20	DHGD	
CC[C@H](C)[C@H](OC)C(=O)NNc1c(Cl)cc(F)cc1Cl	793756312	LBJDKXGFKZGPIK-MADCSZMMSA-N	323.195	3.637	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	794446138	YQPCOILXWYIMEG-LBPRGKRZSA-N	303.362	3.527	50	20	DHGD	
Cc1cc(C(=O)NNc2nc3ccccc3[nH]2)c(C)cc1Cl	795216049	KNSGFPOWXGYHLE-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccccc1Oc1ccncc1	801176766	RTESHRGJOXFBIZ-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
N#Cc1ccc(NC(=O)NNc2c(F)cccc2Cl)cc1F	810253499	VLDKNYDEFQPPRH-UHFFFAOYSA-N	322.702	3.638	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cn1	812241270	BKOIASNONTXQFG-IJXAQXDUSA-N	322.280	3.518	50	20	DHGD	
CCCCC/C(C=NNC(=O)Cc1cc[nH]n1)=C\c1ccccc1	814956222	OBLPXFDNHFTJGJ-DEGALGJCSA-N	324.428	3.718	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(C(F)F)c2)cc1	817885688	KCFITGUPTZZPMF-UHFFFAOYSA-N	306.312	3.780	50	20	DHGD	
COc1cc(F)c(/C=C(\C#N)C(=O)C2CCCCC2)cc1OC	844274468	CFBLUFBGBIVJAI-RIYZIHGNSA-N	317.360	3.899	50	20	DHGD	
CCCCOCC(=O)NNc1ccccc1Cc1ccccc1	846464606	PSNYUXMSGVZTAX-UHFFFAOYSA-N	312.413	3.537	50	20	DHGD	
COC(=O)/C=C\c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)o1	848640203	JCHUUUXTCYLEFD-TVFNDYRWSA-N	313.353	3.522	50	20	DHGD	
CC(C)[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)c1ccccc1	857396344	BERGPGHGZDTXOK-IJEWVQPXSA-N	324.262	3.716	50	20	DHGD	
COc1cccc(C=NNC(=O)c2ccc3ccccc3c2)c1	917547577	WDHBAMPVFKRIFB-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
CCC/C(C)=C\C(=O)NNC(=O)c1ccc(Cl)cc1Cl	920288320	RKTBJRQXHCJXSL-CLFYSBASSA-N	315.200	3.501	50	20	DHGD	
C[C@H](COc1ccccc1F)NC(=O)C1CCC(Cl)CC1	1123510983	YWIJZAJNDRRLCO-PNESKVBLSA-N	313.800	3.507	50	20	DHGD	
CC(Cc1ccccc1Cl)=NNC(=O)c1ccc(C)cc1O	1318749677	GEMBJNGZQOQEGQ-UHFFFAOYSA-N	316.788	3.702	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc(Cl)sc2C)cc1Cl	1321146184	HYDHEVHMJYYTFD-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
CCc1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1CC	1331131120	JRPWINYUZBMTSN-UHFFFAOYSA-N	319.408	3.538	50	20	DHGD	
Cc1csc([C@@H](C)CNC(=O)c2cccc(CCl)c2)n1	1358129154	ZHZZOUMNSCTZOS-JTQLQIEISA-N	308.834	3.724	50	20	DHGD	
CSSCCNc1nc2ccccc2c(C)c1C(=O)O	1777402084	LYWGUXZBOOYGAN-UHFFFAOYSA-N	308.428	3.665	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1C	77358233	XNMVJLKSDFQQCQ-GDNBJRDFSA-N	311.360	3.810	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1ccc(F)c(F)c1F	91984800	VLDUCNIRMGELRR-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)C(CC)CC)c1C	101907075	SCNPPWWMQGIKEU-ZROIWOOFSA-N	316.401	3.721	50	20	DHGD	
COC[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	112940757	OAVXFEUMNNQVRJ-UONOGXRCSA-N	317.520	3.586	50	20	DHGD	
Cc1ccc(-c2nc(CC(=O)NNc3ccccc3)cs2)cc1	120272433	NGLYDIJQZMQHPX-UHFFFAOYSA-N	323.421	3.804	50	20	DHGD	
O=C(NNc1ncnc2ccsc12)c1ccc2ccccc2c1	132896785	RWTWSNMDHCTKJX-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1cscc1C(=O)NNc1cccc(Br)c1	151997880	VQBCSBFLBWCCEJ-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
C[C@H](CSCc1ccccc1)C(=O)NNc1cccc(F)c1	154595992	AYKNVQHBVZAYRX-CYBMUJFWSA-N	318.417	3.838	50	20	DHGD	
CC(C)COc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	156756038	DSNMJPVLYODSSR-UHFFFAOYSA-N	324.384	3.742	50	20	DHGD	
O=C(NNc1cccc(F)c1)Nc1nc2ccccc2s1	163100481	UOQJQDIMJWMJQB-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OCC	172692773	YGFKXTJZOVRJRQ-IGVUGNCQSA-N	316.357	3.906	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	179725518	QTLUWTLIXBMCLZ-MDWZMJQESA-N	305.337	3.519	50	20	DHGD	
O=C(NCCCO)Nc1ccc(S(F)(F)(F)(F)F)cc1	181779168	DOTITUKKFIGIHN-UHFFFAOYSA-N	320.283	3.848	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cn1	190266229	KLGWBDUXUGOHSF-GZTJUZNOSA-N	305.381	3.636	50	20	DHGD	
Nc1ccc(CC(=O)NN(c2ccccc2)c2ccccc2)cc1	195281176	SIEFAXTWMKEDHT-UHFFFAOYSA-N	317.392	3.681	50	20	DHGD	
C=C(Cl)COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	210307802	VVVDYFBTNWLJQL-APSNUPSMSA-N	320.820	3.964	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(Br)cc1	248497891	MHRCDSMGIJHCIC-SRVKXCTJSA-N	323.234	3.719	50	20	DHGD	
COc1cccc([C@H](C)CCCC(=O)N2CC=C(C#N)CC2)c1	279740614	NIGBZHSHBYAGHN-OAHLLOKOSA-N	312.413	3.651	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1ccc(Cl)s1	284292872	SWXJTTCDSIOKDG-UHFFFAOYSA-N	310.897	3.554	50	20	DHGD	
OCC1(CNc2cccc(S(F)(F)(F)(F)F)c2)COC1	690198866	GNNJJNARFGIGRG-UHFFFAOYSA-N	319.295	3.765	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)[C@@H](C)CN1CCCCC1	727254286	SVNIVSUXDHRDJK-JKSUJKDBSA-N	307.482	3.571	50	20	DHGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)CCCc1ccccc1	727688579	AFYPJYKKUJZMJE-UHFFFAOYSA-N	319.408	3.949	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1cc(C)oc1C	730146818	GTADSUGENYGAPB-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)CCc1ccccc1	730946875	RWAGWWWBTVMYEZ-UHFFFAOYSA-N	300.427	3.806	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1)c1ccc(Cl)nc1	732528019	CPIJVVOPOGNPHV-AWEZNQCLSA-N	313.788	3.789	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)nc2)oc2ccc(F)cc12	743816614	KIFWJORFYODERZ-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
CCC[C@H](NC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745309213	ZIDFMNZBGXWISQ-AWEZNQCLSA-N	318.808	3.903	50	20	DHGD	
Nc1ccccc1CC(=O)NN(c1ccccc1)c1ccccc1	746408462	DYYICIZWZUDDKJ-UHFFFAOYSA-N	317.392	3.681	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(Cl)ccc1Cl)N(CC)CC	748512823	WQFVIPYSLZSTJE-CYBMUJFWSA-N	318.248	3.557	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)[C@@H](C)c1nc2ccccc2s1	748786814	UVTMNNSBNMKMSE-WDEREUQCSA-N	303.431	3.938	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(Br)s1	749449624	IOUKVJBSINNADK-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC(C)(C)C1	753029500	LWABFEZAPCWTTD-MGMWDDNKSA-N	300.377	3.627	50	20	DHGD	
CC(C)c1cccc(C(C)C)c1NC(=O)NNC(=O)CC1CC1	755348761	OPEJTPDQVXIJQA-UHFFFAOYSA-N	317.433	3.886	50	20	DHGD	
CNC(=O)NN=C1CCC(c2cccc(C(F)(F)F)c2)CC1	761801817	YPADRCKRHUFDOU-UHFFFAOYSA-N	313.323	3.648	50	20	DHGD	
O=C(NCCCc1cccs1)NNc1ccccc1Cl	770291071	GRCHDMARSSHKJG-UHFFFAOYSA-N	309.822	3.660	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1)c1ccc2ccccc2n1	774120284	TWYNPVYMMODWNG-WJDWOHSUSA-N	300.317	3.997	50	20	DHGD	
O=C(NNc1ccccn1)Nc1cc(C(F)F)ccc1Cl	779071886	GWMOQSQNKCLBGR-UHFFFAOYSA-N	312.707	3.821	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	780149176	XQCIPFVKKRQURH-WMZJFQQLSA-N	315.678	3.995	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	782016364	CMHMLUPJVCSNBH-JTQLQIEISA-N	300.324	3.975	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=C1CCC[C@@H](C(F)(F)F)C1	783510344	YLXJSZVNWSJTRY-LLVKDONJSA-N	316.298	3.593	50	20	DHGD	
CC[C@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)c1ccc(Cl)cc1	786678874	HMZBDLHTSHGAIG-GLNPCMGASA-N	317.772	3.704	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1ccc(SC)cc1	790855008	VLSYGXPJBOEFNC-SNVBAGLBSA-N	316.517	3.780	50	20	DHGD	
CC(C)C[C@H](C)C=NNC(=O)c1ccc(Br)s1	799108314	SNHHJCFJJDRVPY-VIFPVBQESA-N	317.252	3.908	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC2(C)C)c1C	805323406	NIJPOPUISBOEHO-ABPVARSCSA-N	313.445	3.727	50	20	DHGD	
CSSCCNC(=O)NC(C)(C)c1ccc(Cl)cc1	806716334	XVMVFKFCCUPPNX-UHFFFAOYSA-N	318.895	3.886	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(CN3CCCCC3)cc2)c1	811880155	IWSBMVWIYXIPFL-UHFFFAOYSA-N	323.440	3.738	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H]3C3CCC3)n[nH]2)cc1	814804997	NQEPMDIJALRBOB-OAHLLOKOSA-N	322.412	3.681	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1CCCO)c1ccc2ccccc2c1	814810168	ATKAUKYPYRBYGM-INIZCTEOSA-N	324.424	3.888	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2ccc(F)cc2C)cc1	814997582	VHLPKCQECPENNB-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	817005052	BXTOIQYWWZRGFR-AWEZNQCLSA-N	315.804	3.928	50	20	DHGD	
CCCc1[nH]ccc1C(=O)NNc1cccc(C(F)(F)F)c1	817551644	SOWXJFKINREGOD-UHFFFAOYSA-N	311.307	3.743	50	20	DHGD	
C[C@]1(CC(=O)NNc2ccc(Cl)cc2)CC1(Cl)Cl	827176698	ZIDIJBALMUBEGD-NSHDSACASA-N	307.608	3.757	50	20	DHGD	
N#CC(C#N)=Cc1ccc(N2CCCCC2)c(Br)c1	840712151	FYRACQKHSFWELV-UHFFFAOYSA-N	316.202	3.870	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)[C@H](C)CO1	846435247	VWALBQLCJCVHHH-MCIONIFRSA-N	317.520	3.726	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(F)cc1)OCC(F)(F)F	853430264	BWYRVWXIOVASJV-NSHDSACASA-N	318.270	3.738	50	20	DHGD	
Cc1csc(C(=O)NC[C@]2(C)C[C@@H]2Br)c1Cl	857391417	PQVIXWDKGZUQQH-CPCISQLKSA-N	322.655	3.613	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@]1(C#N)CC12CCCC2	885126684	DDIRDWYCVOTDIV-INIZCTEOSA-N	303.793	3.566	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1ccc(F)c(F)c1F	914786918	UKZBVWMTQPHHJA-WDZFZDKYSA-N	320.270	3.503	50	20	DHGD	
CC(=NNC(=O)Cc1csc(C)n1)c1cccc2ccccc12	916317205	CRSRTOBZAMVORN-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(Cl)cc1	916351242	FUDKNTXAMLSBKG-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1c(C)nc2ccccn12	917568412	IRDBHEWKAZQHCX-UHFFFAOYSA-N	300.406	3.719	50	20	DHGD	
CN(N=Cc1ccc(OC(F)(F)F)cc1)C(=O)OC(C)(C)C	920378273	QXHNEDAXYMIWSY-UHFFFAOYSA-N	318.295	3.786	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(C)cc(C)c1	921257790	UBNDLEBIIGOWQB-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
Nc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1Cl	1116366285	VKWLLNJUIIDVKG-UHFFFAOYSA-N	323.783	3.839	50	20	DHGD	
COc1cc(OC)c(NC(=O)C2CCC(Cl)CC2)cc1F	1123663687	UOCZRJSQAPMRRG-UHFFFAOYSA-N	315.772	3.579	50	20	DHGD	
Cc1ccc2cc(C=NNC(=O)c3ccccc3Cl)ccc2n1	1320877378	AHADNVYJCGEXHK-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CCCC(=NNC(=O)c1ccccc1Cl)c1cccnc1	1343871925	MSZFZPBEEYATOL-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	1358240192	ORTGXZCQQWUXNS-CVEARBPZSA-N	319.832	3.599	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	1597355405	DWPSVODZGSZSCI-XYPYZODXSA-N	324.808	3.698	50	20	DHGD	
Cc1cc(C(=O)O)cc(C(=O)NNc2ccc(C(C)C)cc2)c1	1600108337	DEAQLKADGVLUNE-UHFFFAOYSA-N	312.369	3.574	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)CC1(CC(=O)O)CCCC1	1600535500	TXGMCJOQVLTAIA-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044951	XNEZDAUNROLWKS-LBPRGKRZSA-N	317.389	3.853	50	20	DHGD	
CC(C)C1CCC(C=NNC(=O)c2ccc(C(=O)O)cc2)CC1	1776100697	VQTXWBBSMPHICQ-UHFFFAOYSA-N	316.401	3.563	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C\C(=O)O)o1)c1nc2ccccc2o1	1777566119	OVSLKRSPAACNFJ-NSXXKTIASA-N	306.277	3.583	50	20	DHGD	
CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	41693593	YRWGQYYWUWFLEP-GXDHUFHOSA-N	300.402	3.630	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1Cl	66255828	KOXXFIXLMMRDKE-JYRVWZFOSA-N	305.761	3.763	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cc(C#N)cc(Cl)n1	93543009	JXIYNUNIVMFTGR-UHFFFAOYSA-N	308.813	3.656	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccc2c(c1)CCCC2	106925185	NGWLTXLXDHOPIC-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1	132542145	FOVDSOCZZQAPNK-YVLHZVERSA-N	307.349	3.631	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	150874639	ABNBNVXVEOTKCU-MRXNPFEDSA-N	313.357	3.622	50	20	DHGD	
O=C(Cc1ccc(Cl)c(Cl)c1)NNc1cccc(F)c1	154605368	UGYMACAKJNYVCD-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2cc(C)cc(C)c2)cc1	158675753	QWLWPXRCKQRDJS-UHFFFAOYSA-N	312.413	3.733	50	20	DHGD	
CCNC[C@]1(CCl)CCC[C@H](CC)C1	160197116	UESBLXWEDXTVMK-GXTWGEPZSA-N	217.784	3.421	50	20	DHGD	
Cc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)s1	176928888	HWJNCVGQJXRBLH-UHFFFAOYSA-N	314.322	3.732	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1c(F)c(F)cc(F)c1F	177514815	ONIOVZRPEBFJGY-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1C	178029834	DIGCDOLKTZIPSO-XNTDXEJSSA-N	311.360	3.839	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cccc3cnccc23)cc1	178509759	OZEGHYZCSHGPNZ-UHFFFAOYSA-N	323.421	3.779	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(F)cc(F)c2)c1	179172269	AOFNQGLKUUDKDL-XGICHPGQSA-N	314.291	3.519	50	20	DHGD	
CSSCCNC(=O)c1scnc1C1CCCC1	283826595	ACSKCCNLYNJOBH-UHFFFAOYSA-N	302.490	3.542	50	20	DHGD	
CC(=O)c1cc([N+](=O)[O-])ccc1OC(=O)O[C@H](C)CC(C)C	295114069	HXSQNSXQSVNZJS-SNVBAGLBSA-N	309.318	3.747	50	20	DHGD	
CSc1ncc(OCCO[Si](C)(C)C(C)(C)C)cn1	584648448	HKWLTUJBIFMTJV-UHFFFAOYSA-N	300.500	3.599	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)OC(C)(C)C	742467355	AHUDADAXGGRDBN-MRXNPFEDSA-N	300.443	3.929	50	20	DHGD	
COc1cccc(NC(=O)NNc2cccc3c2CCCC3)c1	747824712	RIDFMELXYRZKHO-UHFFFAOYSA-N	311.385	3.723	50	20	DHGD	
CC(C)c1cccc(NC(=S)NNC(=O)CC2CCCC2)c1	749458445	BRHALGVSRJUYCK-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccoc2)c1OC(C)C	752891258	SVNDQSCJHBEXKT-DHDCSXOGSA-N	311.337	3.865	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnc3ccsc3c2)c1	760131907	ULNBYVISIWLKRX-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl	761384916	JNQOKLAKZIVBLI-WQLSENKSSA-N	319.767	3.564	50	20	DHGD	
Cc1ccc2c(c1)N(/C(=C/C#N)c1ccc([N+](=O)[O-])cc1)CC2	764322727	IVJZBDCURMNYRP-CAOOACKPSA-N	305.337	3.830	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1	764809030	FYIPKNGLFNGBNR-NSHDSACASA-N	314.364	3.512	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCCc3cccnc32)c(C)c1	768093144	DXQOPNXFYHDIFE-MRXNPFEDSA-N	309.413	3.570	50	20	DHGD	
O=C(NNc1ccccc1Br)[C@H](F)c1ccccc1	769605612	LVPJIWRYDIWNRO-CYBMUJFWSA-N	323.165	3.603	50	20	DHGD	
CC(C)c1cccc(C(C)C)c1NC(=O)NNC(=O)C1CCC1	779350750	SRCAJSLYZMIDDT-UHFFFAOYSA-N	317.433	3.886	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cc(Br)cs1	782112982	IIJBGNKVHABXDR-UHFFFAOYSA-N	319.224	3.759	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc2ccccc2c1	788191794	XETIKXHKARKCIZ-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
C=C(CBr)CN1CC[C@H](C(F)(F)F)C1(C)C	791543513	WFTMMFMORVVVHN-VIFPVBQESA-N	300.162	3.600	50	20	DHGD	
CCC(=O)NNC(=O)Nc1cc(-c2ccccc2)ccc1Cl	791948206	KXCYGAFIRMOYMG-UHFFFAOYSA-N	317.776	3.570	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794942914	SHAATZWFFVBZFR-MBFWDRTGSA-N	311.360	3.924	50	20	DHGD	
O=C(NNc1ccccc1)Nc1csc(-c2ccccc2)n1	806731397	HUWJZFBIPUSEJQ-UHFFFAOYSA-N	310.382	3.959	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2c(c1)C(C)(C)CO2	810685195	RWYFWOMZTLSSRH-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
CCCN1CCC[C@H]1CNCc1ccc(OCCCCl)cc1	811506650	ZADKSZPSTYSSBI-KRWDZBQOSA-N	324.896	3.658	50	20	DHGD	
O=C(CC1CC1)NN=Cc1cccc(OCc2ccccc2)c1	814989357	LLQJZQWVAPOTQC-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC(F)(F)c1ccc(C(=O)NNc2cccc(F)c2F)cc1	815856849	DDYCSIMZUWMFRJ-UHFFFAOYSA-N	312.266	3.833	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1cccc(C2CC2)c1	834444984	ZPNTYBBZKVAFFN-QPJJXVBHSA-N	300.789	3.895	50	20	DHGD	
CC(C)c1ccc(NNC(=O)COCCc2ccccc2)cc1	837056412	PESBTAKASSJIJQ-UHFFFAOYSA-N	312.413	3.512	50	20	DHGD	
CCC(C)(C)OCC(=O)NNc1c(Cl)cc(F)cc1Cl	837509602	XTOKCVHVMWYNAI-UHFFFAOYSA-N	323.195	3.781	50	20	DHGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC[C@@H](c2cccc(Cl)c2)C1	842550159	WCMQRSFBXOTJEG-NORZTCDRSA-N	320.820	3.505	50	20	DHGD	
CCc1cccc2cc(/C=C(\C#N)C(=O)[C@H]3CCCOC3)oc12	849179397	OGTHJUXQRRJMQR-BMANGOCTSA-N	309.365	3.898	50	20	DHGD	
Cc1cncc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1	852523633	AWPQYRNNOGAEMD-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccc2nc(C3CC3)oc2c1	878886674	CFLBROKUWZJVFT-UHFFFAOYSA-N	314.172	3.630	50	20	DHGD	
CCC(=O)NN=Cc1ccc(-c2ccc(Br)cc2)o1	915916803	PSZPNTIFADILGZ-UHFFFAOYSA-N	321.174	3.569	50	20	DHGD	
CCOc1ccccc1C(C)=NNC(=O)c1ccc(Cl)cc1	916253872	QAQZGRCVRGQELB-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
Cc1cc(-n2cccn2)ccc1NC(=O)C1CCC(Cl)CC1	1519979185	GZPUXVXLWSBNGZ-UHFFFAOYSA-N	317.820	3.917	50	20	DHGD	
O=C1CCN(C(=O)C2CCC(Cl)CC2)[C@H](c2ccccc2)C1	1521614914	BMIGXUZYODCJDY-DQPZFDDXSA-N	319.832	3.717	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	6514024	VEOXJSUUECHKQP-QGOAFFKASA-N	319.360	3.902	50	20	DHGD	
FC(F)Oc1c(Br)cccc1CBr	42339902	JEFXIYAOARPDKO-UHFFFAOYSA-N	315.939	3.945	50	20	DHGD	in-vitro
O=C(NNc1cccc2c1CCCC2)c1ccc2cc[nH]c2c1	120351197	DOESHDTZYKTHST-UHFFFAOYSA-N	305.381	3.804	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cc1	124238569	RMEZYUHPMBQMAK-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	134273612	MAWFSMWANWIEIP-JTQLQIEISA-N	304.312	3.855	50	20	DHGD	
CCOc1cccc([C@H](C)NC[C@H](C)CBr)c1	152781234	XOINYKMTPKSFIL-NEPJUHHUSA-N	300.240	3.767	50	20	DHGD	
O=C(CCCc1ccccn1)NNc1ccc(C(F)(F)F)cc1	153667553	YLBLVSJWMVYZKE-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C#N)cc2)oc2c(C)cccc12	155367272	WZFJPLWQHSBKLC-UHFFFAOYSA-N	305.337	3.678	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	191766656	PQJPPKVJYGSXPL-DHDCSXOGSA-N	303.408	3.714	50	20	DHGD	
CSc1cccc(N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)c1	194522597	ZQXMENQKGIKRIR-UVTDQMKNSA-N	324.405	3.684	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)c(Cl)c1	214131647	AXDURNOZWFCBTJ-MDWZMJQESA-N	312.756	3.900	50	20	DHGD	
C[C@@H](CBr)CN(C)[C@H](C)c1ccc(F)c(F)c1	248735308	QTAOMHDMFFUJRC-VHSXEESVSA-N	306.194	3.989	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(O)ccc1Br	269283457	GUGRYKPZYDCHCG-CAXXOGMASA-N	308.175	3.677	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cscc1Br	295955051	PDJOTXDMBDHYNP-XVNBXDOJSA-N	302.168	3.735	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)C(C)C)c1OC(F)F	298825142	QUQDGGDEVHZZSU-WQLSENKSSA-N	309.312	3.819	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1C1CCC1	375103813	CYDQZMJGBWLTAT-NWDGAFQWSA-N	302.256	3.587	50	20	DHGD	
O=C(/C=C/c1cc(Cl)cc(Cl)c1)NNc1ccccn1	492346237	FRMDMGUZUBNUBH-SNAWJCMRSA-N	308.168	3.545	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccccc1OC)c1ccccc1	588558535	DDJYYNDHUYTBEX-VJSYINPZSA-N	320.392	3.870	50	20	DHGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)NC2CCCCC2)CC(C)(C)C1	727364341	SNNUXPAJCHWHRS-UONOGXRCSA-N	323.481	3.502	50	20	DHGD	
C[C@H]1CCCC1=NNC(=O)COc1ccc(C(C)(C)C)cc1	729141068	UHKZDILNOCKGLP-ZDUSSCGKSA-N	302.418	3.655	50	20	DHGD	
CCOCC(=O)NN=C(CCCc1ccccc1)c1ccccc1	731154373	JCQOPQZIMGLDHM-UHFFFAOYSA-N	324.424	3.566	50	20	DHGD	
O=C(NN=C1C[C@@H](c2ccccc2)Oc2ccccc21)C1CCC1	731936390	VIORKVFSIDUEOT-IBGZPJMESA-N	320.392	3.831	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccc(O)c(Cl)c1	734094847	WEDWZWNUTCKVSZ-XQHKEYJVSA-N	318.804	3.588	50	20	DHGD	
O=C(NN=C(CC1CC1)c1ccccc1)c1cccc([N+](=O)[O-])c1	735971031	NVFCPQJURUBPPQ-UHFFFAOYSA-N	323.352	3.529	50	20	DHGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1F	739427223	RIHUTPHZXUDYRO-ZROIWOOFSA-N	304.365	3.530	50	20	DHGD	
COc1cccc(F)c1C(C)=NNC(=O)c1cccc(Cl)c1	741805147	NSWBBXUHZKBEIV-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc2c(cc1OC(F)F)OCO2	741840340	PVXJMXPQBLRWCN-ONNFQVAWSA-N	323.295	3.539	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C#N)cc2)oc2c(F)cccc12	748104915	OKJWVOMJKWTVMN-UHFFFAOYSA-N	309.300	3.509	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc3ccc(F)cc3s2)cc1	748117064	LFCMHDJZBLIQRZ-UHFFFAOYSA-N	311.341	3.669	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(Br)c(C)c2)CCC1	748610841	SPRHYHQQHXLKQO-UHFFFAOYSA-N	309.207	3.701	50	20	DHGD	
O=C(CCC1CCOCC1)NNc1cc(Cl)ccc1Cl	752810754	VFDZPYFWDXFMGI-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
C#CC[C@@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	757771924	HELMZIFYSZPANM-OAHLLOKOSA-N	313.788	3.731	50	20	DHGD	
COc1ccccc1C(=O)NN=CCc1ccc(C(C)C)cc1	760250036	XENZDSOYCTXBNV-UHFFFAOYSA-N	310.397	3.777	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(Br)c(C)c2)CC1	761568067	KBGUPBOKIQNRDC-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
Cc1ccc(C=NNC(=O)CC(C)(C)C)cc1Br	767908691	XLQKRNHUEVIJEI-UHFFFAOYSA-N	311.223	3.644	50	20	DHGD	
C[C@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1(C)C	768451575	TYMIQTAAXQNUQK-WDEREUQCSA-N	304.272	3.691	50	20	DHGD	
C=CCN(Cc1ccccc1F)C[C@@H](C)CBr	770647802	MGZHHNHIZWOWAR-LBPRGKRZSA-N	300.215	3.845	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	773092928	CGXIXFWSNBXOQK-CYBMUJFWSA-N	316.788	3.566	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2cc(F)c(F)cc2F)ncn1	773175843	HYJLPVPSWLXQOW-XNWCZRBMSA-N	307.300	3.680	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@@H](C)[C@H]2C)o1	781122852	OHKRDTCSXARBDW-ZIAGYGMSSA-N	319.449	3.663	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNC(=S)Nc1ccccc1C(C)C	785956430	JUPAKHNVBZSUJD-KRWDZBQOSA-N	319.474	3.730	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(F)c1[N+](=O)[O-])CC(C)(C)C	791067459	UUXGOSGOQCXGDV-JTQLQIEISA-N	311.357	3.639	50	20	DHGD	
O=C(NN=CC(Cc1ccccc1)Cc1ccccc1)C1CCC1	799110196	SIPGUZOMWMRFOC-UHFFFAOYSA-N	320.436	3.990	50	20	DHGD	
CCC(CC)(CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802022125	HXUGVLRRMVLRHU-UHFFFAOYSA-N	311.813	3.709	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1ccc(Cl)c(F)c1	802832217	JCIIHWJQNIDYNK-UHFFFAOYSA-N	318.735	3.911	50	20	DHGD	
C=CCC[C@@H](NC(=O)NNc1ncccc1F)c1ccccc1	805223989	QIQZHGIMHBYWEQ-OAHLLOKOSA-N	314.364	3.554	50	20	DHGD	
COC[C@H](NC[C@@H](C)CBr)c1cccc(Cl)c1	808801560	YXIGSJOWDPBAAM-GWCFXTLKSA-N	320.658	3.648	50	20	DHGD	
Cc1nn(C)cc1[C@@H](C)NCc1ccc(OCCCCl)cc1	811479005	VBBZOCDVAMWUEC-CYBMUJFWSA-N	321.852	3.587	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCCOC(C)C	813030142	WKMRYNRONXDGJB-UHFFFAOYSA-N	307.438	3.560	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCCCC12CCCC2	814843570	HOEFLLWBGCENSX-UHFFFAOYSA-N	300.402	3.915	50	20	DHGD	
Cc1ccc(NNC(=O)NCCCc2ccco2)c(Cl)c1	823631273	JNGPPFDUDWDBJC-UHFFFAOYSA-N	307.781	3.500	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842250495	JFBQPRPQBSKUIY-LLVKDONJSA-N	311.357	3.639	50	20	DHGD	
CC[C@H](C)C[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1	844031365	QWYKHOYBNMWVDH-IHRRRGAJSA-N	319.536	3.614	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1cc(F)ccc1C	855368057	XWVXAUSJTNJREU-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(F)c(Cl)c1)c1cccnc1	863082974	SBHIKIQOYZSTAH-HNNXBMFYSA-N	321.783	3.757	50	20	DHGD	
C=C(CBr)n1cc(-c2ccc(OC(C)C)cc2)nn1	881317102	YXGVDAXGKKCKTO-UHFFFAOYSA-N	322.206	3.598	50	20	DHGD	
Cc1cccc(NNC(=O)CSCc2ccc(F)cc2)c1	912635960	XNDNFWRDELFFKV-UHFFFAOYSA-N	304.390	3.511	50	20	DHGD	
CCCCCCOc1ccc(C=NNC(=O)C2CC2)cc1OC	916290730	MVEYFTHRWBYUBO-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=CC2CCCCC2)c1C	916336992	VWFIUCBCHZYMPZ-HNNXBMFYSA-N	302.418	3.753	50	20	DHGD	
CCCn1cccc1/C=C(\C#N)C(=O)Nc1ccccc1OCC	918183553	AXQOVIFWPISUTB-FYWRMAATSA-N	323.396	3.842	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1	921261577	IITHZZOHSACWBA-CPNJWEJPSA-N	304.393	3.569	50	20	DHGD	
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@H](F)Cl	2088605133	LTQGUQCYRRYKCW-ZDUSSCGKSA-N	303.724	3.703	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@@H](c2ccccc2)C2CCC2)c1	105249374	CTAVVSCKQUZHQN-SFHVURJKSA-N	320.396	3.726	50	20	DHGD	
CN(C[C@@H]1CCCOC1)C(=O)CCCC[C@@H]1CCSS1	107650541	RBSXTBWRYPQDOV-UONOGXRCSA-N	317.520	3.586	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)C(=O)c1cccc(Cl)c1	122026551	RHVHFMRPPYRZTJ-POHAHGRESA-N	306.152	3.517	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(N3CCCC3)nc2)s1	123502648	ROHCGGKPWPDTKH-XNTDXEJSSA-N	323.421	3.842	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)nc3cc(F)ccc23)cc1	126984263	BANJJBXYIQCSTR-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
N#CC1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCC1	127802900	JTVDVRHRHFRIIN-UHFFFAOYSA-N	318.591	3.784	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@H](C)c2ccc(F)cc2)c1	150798436	ZOHUKXQYHIRSQV-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
CC(C)[C@H](CC(=O)NNc1ccc(C#N)cc1)c1ccccc1	155227386	JZGGRNSVFVWGTI-SFHVURJKSA-N	307.397	3.831	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1cnc2ccccc2n1	163630992	OALRLIZJIXTGFB-CQSZACIVSA-N	320.396	3.575	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NNc1ccc(Cl)cc1Cl	178872840	UMPJTWQQGBMFBR-VIFPVBQESA-N	305.205	3.642	50	20	DHGD	
N#Cc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	178875621	JFXHOYXYZCWESN-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)c3ccc([N+](=O)[O-])c(C)c3)n2c1	180570478	RWFDOPGUZDOMBQ-OVCLIPMQSA-N	318.336	3.924	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCC1=CCCCCC1	184253615	MRBMJVUDCRTHIZ-UHFFFAOYSA-N	323.868	3.749	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)ccc1F	207695901	CMIDOEQPGIJPPS-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
Cn1nccc1/C=C(/C#N)c1nc2cc(Cl)ccc2s1	255324172	CSVSROFGLMLMJL-TWGQIWQCSA-N	300.774	3.747	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cn(C)nc2-c2cccs2)n1	255553022	HHHAZGWEARNOOU-WDZFZDKYSA-N	312.423	3.978	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@H]1CCCC[C@H]1C(F)(F)F	269600235	KAHJPIFSQLRBTA-DTWKUNHWSA-N	322.277	3.777	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc(C3CC3)nc3ccc(F)cc23)CC1	271113837	MTTHOZZUNOLXCG-UHFFFAOYSA-N	321.355	3.547	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1sccc1C	741766333	BUGKVGOUPPGHFU-UHFFFAOYSA-N	316.430	3.668	50	20	DHGD	
O=C(NN=Cc1coc2ccccc12)c1ccc2ccccc2n1	746558126	QMHYFSYHRITZMQ-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2Cl)CCc2ccccc2C1	748303235	ZDNFJGUAFZMYET-SFHVURJKSA-N	314.816	3.978	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2occc2s1	748654236	HMYVVKBJALWCMG-UHFFFAOYSA-N	324.308	3.853	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)c1ccco1	748750419	GVMKZCOQLYKKKV-SNVBAGLBSA-N	323.190	3.597	50	20	DHGD	
C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	750797258	XKYOGQBZZPYKEC-WJHCCJRLSA-N	309.457	3.888	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C12CCC(CC1)C2	752632417	OBQOGCOONODCEZ-UHFFFAOYSA-N	314.307	3.609	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCCc2cccs2)c(C)c1	770285852	KAJVYZAZLBMNTR-UHFFFAOYSA-N	317.458	3.932	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc(Cl)nc2Cl)ncn1	773175407	DPFFSASQUKGFMI-WTKPLQERSA-N	323.208	3.964	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cc(Cl)cc(C(F)(F)F)c1	780197500	YMPPHMIAIHKJAO-UHFFFAOYSA-N	306.715	3.855	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2c(C)cc(C)cc2C)CCO1	780589329	HWPBEZBPMFJMFY-CVEARBPZSA-N	304.434	3.650	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c2n[nH]cc2c1	780806351	MHWNOISQANRIKA-UHFFFAOYSA-N	322.412	3.926	50	20	DHGD	
CCN(C(=O)[C@@H](Br)C(C)(C)C)c1ccc(F)cc1	781068864	QXRUMSGGIDIRLX-GFCCVEGCSA-N	316.214	3.988	50	20	DHGD	
Cc1cc(F)ccc1NC(=O)[C@@H](Br)C(C)(C)C	781070885	MHGHJCKLUIYYSL-LLVKDONJSA-N	302.187	3.882	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(Cc2ccc(F)cc2)CC1	783679515	MZTLXEZUVZMSLY-UHFFFAOYSA-N	320.314	3.570	50	20	DHGD	
CC[C@H](C)[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	787379366	APAZJULYQGTAFK-MEANVHSLSA-N	312.413	3.726	50	20	DHGD	
CSSCCNC(=O)c1ccc(-c2cccs2)nc1C	791113673	MCTDPXMLYSCSIO-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NNc1cccnn1	803099361	RHHBPJJGCQDQDX-TXKKKEFDSA-N	316.449	3.552	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1OC1CC1	807473396	FYRJGYWZBDXOJR-UHFFFAOYSA-N	310.397	3.856	50	20	DHGD	
CN(C)c1ccnc(NCc2ccc(OCCCCl)cc2)c1	811488690	IBGCBVGCYLUOEC-UHFFFAOYSA-N	319.836	3.767	50	20	DHGD	
CC(C)Oc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812242380	PTKURCJLXJOUMV-NTEUORMPSA-N	309.325	3.841	50	20	DHGD	
CC(C)Oc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c1	812245507	SMIDEWKQGHWUFC-RIYZIHGNSA-N	309.325	3.841	50	20	DHGD	
O=C(NNC(=O)c1ccc(C2CCCC2)cc1)Nc1ccccc1	813574211	ZHMOZGHAYOAWKY-UHFFFAOYSA-N	323.396	3.811	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(OC)cc1)c1cccs1	814999640	IERRZZQDEVCSCN-UHFFFAOYSA-N	303.387	3.693	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)C(C)(C)C)c(-c2ccc(F)cc2)n1	834399180	ZUZOSXJRRIMXAC-LCYFTJDESA-N	311.360	3.748	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C[C@@H]1CCCOC1	844350748	WPIUOZNJCCQHML-HOTGVXAUSA-N	313.558	3.899	50	20	DHGD	
CC[C@H](C)OCC(=O)NNc1ccccc1Cc1ccccc1	846464304	MDTUDASUTFWHOS-HNNXBMFYSA-N	312.413	3.536	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccc3ccccc3c2)c1	857502979	WSXHWMNRYYLTIB-UHFFFAOYSA-N	320.392	3.979	50	20	DHGD	
CC(C)(C)[C@H](NC[C@@H](CBr)C1CC1)C(F)(F)F	859237377	HGDCDNIQBOFCNV-ZJUUUORDSA-N	316.205	3.974	50	20	DHGD	
C=CCN(CCc1ccco1)C[C@@H](CBr)C1CC1	859239588	GRMVHWSJMWLCKJ-CQSZACIVSA-N	312.251	3.731	50	20	DHGD	
CC[C@H](NC[C@@H](CBr)C1CC1)c1c(C)noc1C	859248756	JORGQUWWFDQUQR-OLZOCXBDSA-N	315.255	3.753	50	20	DHGD	
CC(C)c1ccc(C(=O)NN[C@H](C)C(F)(F)F)cc1Cl	862319005	VKCFWDYLLRWVRJ-MRVPVSSYSA-N	308.731	3.649	50	20	DHGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1ccncc1	869461757	JMCITLXWOYOZQK-HTTKSJEASA-N	324.218	3.640	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CC2(CCOCC2)[C@H]1c1ccccc1	894914962	YQHLLODJSPURFZ-PQEBFOHHSA-N	305.849	3.713	50	20	DHGD	
Cc1cc2cc(NC(=O)[C@@]3(C)C[C@H]3Br)ccc2[nH]1	906069602	YCRRLZNUUPKIRN-OCCSQVGLSA-N	307.191	3.588	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC(C)C)c(C)n1CC(C)C	912567615	GIHDBWJZFFQBJQ-ZDLGFXPLSA-N	315.461	3.830	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	915991650	DOIKIXFRIKSSPU-VZUCSPMQSA-N	324.771	3.951	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(Cl)c(C)c1)c1ccncc1	920178606	PUKFCIRVSOSCDF-HNNXBMFYSA-N	318.808	3.821	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1cnn(C2CCCC2)c1	925867522	IXOHDFFYTUZUEU-UHFFFAOYSA-N	317.368	3.594	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H](c2cccnc2)C(C)C)ccc1Cl	928340439	ZBVIGYMBRGYFNK-MRXNPFEDSA-N	317.820	3.926	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1c1ccc(O)cc1	1123664976	DXGPRGDJETVXPZ-XUJLQICISA-N	307.821	3.853	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Cl)c(C#N)c2)cc1Cl	1254720828	ABTWQESKTYYEHY-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccnc3cc(Cl)ccc23)[nH]1	1319142892	PCTLVAMOHTVZCN-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H](C)c1ncccc1C	1528061269	NWYDCFJXLLXUCA-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
CCC[C@@H](Cl)C(=O)Nc1ccc(C2(NC(C)=O)CCC2)cc1	1786443335	FMGKZBNOVLGJHB-OAHLLOKOSA-N	322.836	3.548	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1	7166864	RMMIIXVGQABISE-WEVVVXLNSA-N	324.192	3.996	50	20	DHGD	
CCCOc1cccc(/C=C(/C#N)c2nnc3n2CCCCC3)c1	53102725	JUOGECFXPXLBGO-VBKFSLOCSA-N	322.412	3.857	50	20	DHGD	
O=C(CCCOc1ccccc1Cl)NNc1ccccc1	111554670	VFNJZBKQLWLETJ-UHFFFAOYSA-N	304.777	3.642	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)nn2)oc2ccccc12	118527618	LWXKWDGQEAAUEJ-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1F	121868251	XCGNARFRYZACJB-SNVBAGLBSA-N	324.302	3.674	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1ccc(OCC(F)(F)F)cc1	124846105	FQZZIEHLQFQWET-UHFFFAOYSA-N	318.339	3.897	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(C(F)(F)F)n1)C1CCCC1	124968237	KQFSUAYJMHHEIO-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2c(F)cccc2F)cc1	152405171	YBUMAXOIJFYGKL-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
C[C@H](CBr)CN(Cc1cccnc1)Cc1ccco1	152757177	PCCNBDZJRGAIRM-CYBMUJFWSA-N	323.234	3.708	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2C(C)(C)C)cc1	154279217	FGVXMDJLIRMQOB-XNTDXEJSSA-N	307.397	3.816	50	20	DHGD	
C[C@H](CC(=O)NNc1ccncc1Cl)c1ccccc1F	154479652	FKXNIEBPQVGMSC-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
CSCc1ccc(NC(=O)NNc2c(F)cccc2F)cc1	159354566	DJKJNDZWOUEMKQ-UHFFFAOYSA-N	323.368	3.976	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1F	171982359	OYIVILJEVNTOIS-GXDHUFHOSA-N	316.376	3.532	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc2cnccc12)c1ccccc1	178510294	FXOMXNPFKPIXIZ-CQSZACIVSA-N	305.381	3.872	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@H](C)CC)cc(Cl)c1O	263718350	XRUXPVRAYYFDCS-HAAVITCDSA-N	307.777	3.966	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccnc2)cc1	360643913	VBMNVYLZDGSPJF-DLBZAZTESA-N	309.413	3.626	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	491086799	VGBUPIJEMXTSMP-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1ccc(-c2ccccc2)o1	731487882	HUFXHILXPCWTIB-UHFFFAOYSA-N	320.348	3.719	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1	734978109	SQYBDNVRNFAYLG-STQMWFEESA-N	306.381	3.665	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccccc3[N+](=O)[O-])[nH]c12	735620346	XTHRVUKMVAJUNQ-LCYFTJDESA-N	304.309	3.844	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc3ccccc3c2)[C@H]2CCCO[C@@H]21	743437108	CATVOGGJERTYCT-AEFFLSMTSA-N	322.408	3.761	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1cc(F)c(F)c(F)c1	746703027	GVXNAMAXKDVWDS-NSHDSACASA-N	320.314	3.667	50	20	DHGD	
C[C@H](CCOc1ccccc1)C(=O)NNc1ccc(Cl)cc1	749274599	UZIUFPMPAUQRLW-CYBMUJFWSA-N	318.804	3.888	50	20	DHGD	
O=C(NN=Cc1cccc2cccnc12)c1cc2ccccc2o1	749818444	WWRZYTOOPLKSQQ-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
C[C@H]1CC(=NNC(=O)Cc2cccnc2)C[C@@H](c2ccccc2)C1	749855115	COJYXOSXQVGLDJ-QAPCUYQASA-N	321.424	3.700	50	20	DHGD	
CC(C)c1ccccc1OCCC(=O)NNc1cccc(F)c1	752142918	SDDYYZALOLWKLJ-UHFFFAOYSA-N	316.376	3.861	50	20	DHGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1Cl)C(F)(F)F	752810847	OASONCDPFWHNAL-RXMQYKEDSA-N	301.095	3.635	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C[C@@H]1CCc2ccccc21	755563636	OCUSCOCORFTACJ-HNNXBMFYSA-N	317.392	3.542	50	20	DHGD	
CC(C)(C(=O)NN=C[C@H]1C[C@H]1c1ccccc1)c1ccccc1	755706032	YUOZHAKLHYJMNB-AEFFLSMTSA-N	306.409	3.870	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cc(C)sc2C)c1	760231523	OELGFTKWRNCPAS-UHFFFAOYSA-N	316.426	3.511	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)CCc1ccccc1O	769585348	MDFGQPQIRYXSOD-KBPBESRZSA-N	302.418	3.643	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCSc1ccc(F)cc1	771701204	NKHNNUSBLPQDFZ-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2C(C)=CCC[C@@H]2C)cc1	773202270	WSTLXHPCUZYVPK-MAUKXSAKSA-N	314.429	3.722	50	20	DHGD	
Cc1ccc2c(c1)CCN2/C(=C/C#N)c1cccc([N+](=O)[O-])c1	773642590	DTMJHQYNOLCWET-CNHKJKLMSA-N	305.337	3.830	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(C#N)c(F)c1	776760843	VCYPFCONFDLFTA-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
CCc1cnccc1CNC(=O)CCCC[C@@H]1CCSS1	778957231	ALMLLTLCAMUPKQ-OAHLLOKOSA-N	324.515	3.974	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)c1cccc2ccccc12	779771948	LLKRUCXVVSVHIZ-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
CC(C)(C)C(=O)COC(=O)CCCC[C@H]1CCSS1	786589588	BJNQVKQZSISJOA-NSHDSACASA-N	304.477	3.859	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2ccc3occc3c2)cc1	794901781	OPZKIPWERLBIEI-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
C=C(CBr)COC(=O)[C@@]1(C)CCc2ccccc2C1	795537024	ZGPKSQBLZVDUJK-INIZCTEOSA-N	323.230	3.676	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	797326819	RRZRRBDZGHAQCA-WJDWOHSUSA-N	300.402	3.613	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cc(OC)cc(OC)c1	797400149	PAIUOZMDZFMJCU-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
C=CC[C@@H](CC)NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	798551314	QLZGWKGMKHCZRE-XUDLPTGHSA-N	313.445	3.893	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CSc2ccccc21	799754185	DALGKIXLTSSLQW-OAHLLOKOSA-N	312.438	3.890	50	20	DHGD	
O=C(NN=C1CCC12CCOCC2)c1cccc2ccccc12	799882224	IUJLXPBLNWAIIF-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC1(C)CC[C@@H]1NC(=O)NNc1cc(C(F)(F)F)ccc1F	807574287	AASRYBCXHFQKNP-NSHDSACASA-N	319.302	3.659	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)c1cc(F)cc(F)c1	811692268	YPOZAAGWMUYPBP-UUILKARUSA-N	312.250	3.765	50	20	DHGD	
O=C(NN=CC1=Cc2ccccc2OC1)c1ccc(Cl)cc1	812375247	WBBMVSOAYLSGKK-UHFFFAOYSA-N	312.756	3.532	50	20	DHGD	
O=C1CCCCC[C@H](C(=O)NNc2cccc3c2CCCC3)C1	813494217	CAMUKOPISVTKMW-HNNXBMFYSA-N	314.429	3.548	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cc3ccccc3o2)s1	814867127	QYCXMXRJZLXUHY-UHFFFAOYSA-N	316.407	3.980	50	20	DHGD	
COc1ccsc1C=NNC(=O)Nc1ccc(Cl)cc1	815004626	MDVPGBZSCQZOBZ-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
N#C/C(=C\c1ccc(N)nc1)C(=O)c1c[nH]c2cc(Cl)ccc12	821038528	JDYXHQTWDCGFHS-VZUCSPMQSA-N	322.755	3.588	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@H]1c1ccccc1	826529977	DZFPAJOPVDYPCZ-LSDHHAIUSA-N	315.804	3.762	50	20	DHGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1ccccc1Br	827175605	BMXCTOUEZADEQM-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
O=S(=O)(CCl)N(Cc1ccccc1Cl)C1CCCC1	830395457	NAWFJOVBCBSKIA-UHFFFAOYSA-N	322.257	3.611	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1cc(C(F)(F)F)ccn1	832968402	KSCJZQGJHWCFPZ-CYBMUJFWSA-N	303.328	3.760	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2c(C)cccc2Cl)CCO1	836933053	HPYVCOBFSTWPIV-STQMWFEESA-N	310.825	3.687	50	20	DHGD	
Cc1cccnc1NNC(=O)c1csc(C2CCCCC2)n1	839735115	YLQSCBSLYPXTOI-UHFFFAOYSA-N	316.430	3.651	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cn(C)nc2C2CCC2)cc1	840472841	JJODBTDEHKKEGZ-UHFFFAOYSA-N	312.417	3.568	50	20	DHGD	
CC[C@@H](COC(=O)/C(C#N)=C/c1ccc(OC)cc1)CC(F)F	845769515	PUDUWPBOMPEMBO-ZBQKXELDSA-N	323.339	3.827	50	20	DHGD	
CC(F)(F)CC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378781	MYSQHTOLSPXYHZ-UHFFFAOYSA-N	316.657	3.847	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](C)CCCC(F)(F)F	854021576	LXNYGMGUFKCOIN-JTQLQIEISA-N	321.318	3.881	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1cc(F)cc(Cl)c1	855619892	HDWGXPUEPDEDHM-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@H]1[C@H]2CCCC[C@H]21	856233872	DYUDTDMKWDFABO-IWIIMEHWSA-N	321.833	3.829	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cc(Cl)ccc2C)c(C)n1	885129716	BJZPWBBUCZYLBX-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)CCC(C)C)cc1	904158882	FIVPSZARVDQMBD-ZKMNFCBKSA-N	314.429	3.933	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1NC1CCCCC1	913948565	LZOGWHKCYKSRCH-BUHFOSPRSA-N	313.401	3.814	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)c1ccc(C)cc1O	920374484	GIYBJORRNKBHDB-UHFFFAOYSA-N	310.397	3.748	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)NC1CCC(F)(F)CC1	921694997	LHSIPUAPKDCSKA-UHFFFAOYSA-N	321.730	3.683	50	20	DHGD	
CC(C)CCC[C@@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1318580438	CAHCHAUORQQQLH-CYBMUJFWSA-N	321.469	3.615	50	20	DHGD	
CS[C@@H]1CC[C@@H](N(C)C(=O)[C@H](Br)C(C)(C)C)C1	1325600925	OBAUAFHKLZKURN-MXWKQRLJSA-N	322.312	3.539	50	20	DHGD	
Cc1coc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1C	1329069100	YOZQTZSXRDZHFK-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1c(F)cccc1F	45481039	SUTZVGXDLMWLIE-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccc(Cl)cc2)cc1	120371913	QNMWFNMHFQKMAW-UHFFFAOYSA-N	316.788	3.755	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C#N)s1	176401522	JYZGWGWALQIGOL-FMIVXFBMSA-N	323.377	3.564	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc(-c3ccco3)s2)c1	178981040	AMNPWKPGSFCHQV-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	254974615	JRLBVZPXGGGDBZ-IYVNWDGISA-N	308.362	3.829	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(COC)cc2)cc1	255434906	WRISGTVCFZQJAQ-LDADJPATSA-N	320.392	3.941	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCCC[C@H]1C(F)(F)F	272493558	OIVJYQFTZBCNKP-VHSXEESVSA-N	321.730	3.547	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)nc2)cc1	490726871	VJUMCKWBXGQRCH-NTEUORMPSA-N	311.772	3.843	50	20	DHGD	
CSc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	491084186	NJZBEMWSSWYAHL-UVTDQMKNSA-N	324.405	3.968	50	20	DHGD	
O=C(/C=C\c1cccc(F)c1)NNc1c(F)cccc1Cl	588491450	DVGGCYHTJFNIRC-FPLPWBNLSA-N	308.715	3.775	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2cccc3ncccc23)o1	730146315	PVKPPHLDBSNYPJ-BLLLJJGKSA-N	319.364	3.715	50	20	DHGD	
O=C(NN=Cc1ccc(O)c(Cl)c1)c1cccc2ccccc12	741462707	LTXCDPBHSZCMJK-UHFFFAOYSA-N	324.767	3.963	50	20	DHGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1cccnc1	744555222	KTCOPTPNGMUADB-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2ccco2)s1	748089848	WMFRDQVJVQIJOS-UHFFFAOYSA-N	302.330	3.904	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)o1)c1ccc(OC(F)F)cc1	752175583	VKTWIUKMLMFCFQ-UHFFFAOYSA-N	322.311	3.734	50	20	DHGD	
N#CCc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752810777	FWZHHXABCIFWBU-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
CSCC[C@@H](C)NC(=O)NNc1cc(Cl)ccc1Cl	752979198	DPILVQREWOIGHS-MRVPVSSYSA-N	322.261	3.761	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	756875600	BZSTTZZIEHFCOY-LLVKDONJSA-N	304.752	3.998	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1cc2c(s1)CCCC2	764432200	KRVXBSJHSUPMTO-WAYWQWQTSA-N	320.845	3.958	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CCCCC3)n[nH]2)cc1	764786216	DMUVWDBEZIQKEC-UHFFFAOYSA-N	310.401	3.689	50	20	DHGD	
CCCCC(CC)=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764810665	VBCYOINDMBXVIH-UHFFFAOYSA-N	316.380	3.902	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)c1ccc(Cl)s1	772822106	ACCCHJBRSGTPRF-VIFPVBQESA-N	324.837	3.562	50	20	DHGD	
CN(NC(=O)c1ccccc1COC(C)(C)C)c1ccccc1	774276420	MRYWFPMRIFBLPP-UHFFFAOYSA-N	312.413	3.783	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)c1cc(Cl)ccc1O	774352906	RABPQNAULNMBKK-UHFFFAOYSA-N	322.714	3.884	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1	777418289	KDULZAYIMRCXAX-CQSZACIVSA-N	312.417	3.536	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@H]1CCC2(CCCC2)O1	785349118	MDJOUGONWLGAEQ-NWNNTGRJSA-N	311.381	3.629	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/C(C)=C\c1cccc([N+](=O)[O-])c1	787170577	ZXDLVGDVTZRNTL-AYMWWVTDSA-N	314.341	3.791	50	20	DHGD	
COc1cc(NNC(=O)NCC2(C3CC3)CCC2)ccc1Cl	789118428	YFJGYAUJDDZPNR-UHFFFAOYSA-N	323.824	3.555	50	20	DHGD	
CCS[C@H](C(=O)NNc1ccc(Cl)c(OC)c1)C(C)C	790175802	RATUCWGFXHLGBT-ZDUSSCGKSA-N	316.854	3.569	50	20	DHGD	
CSSCCNC(=O)CSc1ccccc1Cl	791100930	ZKNNXRMUAKUFGN-UHFFFAOYSA-N	307.893	3.560	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCF)c1cccc(OC(F)F)c1	794905569	VPEHDXFNYYWTOT-JTQLQIEISA-N	314.307	3.534	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1ccc(O)c(Cl)c1	797402532	FVKVYZOAFXWMGU-QWRGUYRKSA-N	308.809	3.978	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc(C2CCC2)c1	798982832	GBJIPIADYYLFRO-UHFFFAOYSA-N	311.341	3.619	50	20	DHGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1ccc2ccccc2c1	799108750	IQYSKPWUSMPYDU-UHFFFAOYSA-N	320.396	3.690	50	20	DHGD	
CC(COC(C)C)=NNC(=O)c1ccc(Cl)cc1Cl	799872459	RZVWQUOWPHUMSO-UHFFFAOYSA-N	303.189	3.524	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)C(CC)CC)cc1C(=O)OC	800790984	CFBBNTXUTROETO-WQLSENKSSA-N	303.358	3.541	50	20	DHGD	
CO[C@H]1CCC[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)C1	816018335	AIEDHHHDOMLKBU-BBRMVZONSA-N	304.434	3.632	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@H]1c1ccccc1	826786587	ASLQEHOACCDLKV-UONOGXRCSA-N	315.804	3.762	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2ncc(Cl)cc2Cl)CC1	836782892	LPOPPMUQERBVDA-MRVPVSSYSA-N	300.189	3.578	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2cnccc2C)c(Cl)c1	838535391	VSJBNYCUTDOGES-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
Cc1cc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)no1	844334075	BMHIXLVVXDCBER-HNNXBMFYSA-N	310.514	3.969	50	20	DHGD	
Cc1nocc1COC(=O)CCCC[C@@H]1CCSS1	849654603	ZUXUCEVXUGIIIU-GFCCVEGCSA-N	301.433	3.740	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2ccncc2C#N)C1	853896579	DTEZTSIFIYCKOI-HNNXBMFYSA-N	317.509	3.944	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2cccnc2)c(Cl)c1	854844323	NUDCNXKJZJNHGC-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(Cl)cn2)o1	856095937	WOWZLHFSKMHFSV-MFKMUULPSA-N	319.792	3.527	50	20	DHGD	
C=CCCCCCN(C)C(=O)NC[C@]1(C)C[C@@H]1Br	856898911	INGLITMOSIUMGH-JSGCOSHPSA-N	317.271	3.548	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1cc(Cl)ccc1O	857082929	RYCKRCSVYFBLDF-ZEGGKSINSA-N	318.642	3.870	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCCC(F)(F)C1	863082325	HZWNNNOMQFURLI-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
COc1ccc2cc(C(=O)N(C)CC(Cl)Cl)sc2c1	868373339	MWYXDKUTONYWPO-UHFFFAOYSA-N	318.225	3.786	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2ccc[nH]2)C1	897966272	OMNPTNAPFYMBQT-CYBMUJFWSA-N	308.498	3.641	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCc3ccccc32)cc1	916345502	BSWIGAHLGHJDGW-UHFFFAOYSA-N	310.422	3.554	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCCc2cccnc21	928336764	BTSKDPUFECOTHS-CQSZACIVSA-N	315.804	3.607	50	20	DHGD	
COc1ccccc1Oc1ccc(NC(=O)CCl)cc1F	1319675194	WEJXBOZYZSTYDQ-UHFFFAOYSA-N	309.724	3.804	50	20	DHGD	
Cn1cccc1-c1nnc(CCCC[C@H]2CCSS2)o1	1345512661	HYHKUKWQAPFGTQ-NSHDSACASA-N	309.460	3.942	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc3c(c2)NCC3)cc1	1575275210	KKVDEKPGRDAAHV-UHFFFAOYSA-N	323.440	3.638	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(C#N)c2)c1C	14177770	QEOXOJGIYIBAPS-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)cc1	34895922	WAPOMCHZZDGTOP-SSZFMOIBSA-N	312.413	3.831	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	122343466	RSJDCAFQEQVVHQ-HNNXBMFYSA-N	320.339	3.925	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(Cl)cn1	126432722	XOQIJNCAUNERRS-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	132427487	NPJXQUCYXQSXEH-BDAKNGLRSA-N	302.205	3.658	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1OC(F)F	171020230	STDALQFGWMHEMI-KPKJPENVSA-N	309.312	3.819	50	20	DHGD	
COc1ccccc1CCC(=O)NNc1ccc(Cl)c(F)c1	175426231	AKYPTSRNMKIXKP-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
COc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	178876421	MVTADJSZGSVDIJ-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)Nc1ccncc1	255551205	SKVHPPXKIOGIHY-RAXLEYEMSA-N	303.321	3.682	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2ccc3c(O)nccc3c2)C1	285739543	PLBYHZPFDVQGET-CYBMUJFWSA-N	313.401	3.600	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C)CCC(C)(C)C)c1	293936764	NLEBWNIMJWFDIJ-GFCCVEGCSA-N	305.422	3.551	50	20	DHGD	
Cc1ccc(-c2nc(C)c(C(=O)NCC(Cl)Cl)s2)o1	294785390	USZIEGPCWBKSII-UHFFFAOYSA-N	319.213	3.553	50	20	DHGD	
C[C@H](Cc1ccc(Br)cc1)C(=O)CBr	584907013	JHCJZRXYQKJMJK-MRVPVSSYSA-N	320.024	3.592	50	20	DHGD	
O=C(CCCc1ccccc1)NN=CC1=Cc2ccccc2OC1	727689613	WEUVECLLFCVGEI-UHFFFAOYSA-N	320.392	3.587	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1sccc1C1CC1	729532358	KHLIQBGEFMREQT-UHFFFAOYSA-N	312.316	3.800	50	20	DHGD	
CCc1cccc2c(C=NNC(=O)Cc3ccccc3F)c[nH]c12	731317310	ZPRYSCHBCFRRTE-UHFFFAOYSA-N	323.371	3.562	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)NC1CCCCC1	733252308	MZGUDAQMNBVBJB-OAHLLOKOSA-N	323.481	3.646	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	734367948	NOIKPUXRKHDYIT-PKNBQFBNSA-N	315.275	3.861	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2ccccc2F)c(C)c1	743765565	VZXZCNSSZWSWLB-UHFFFAOYSA-N	300.377	3.827	50	20	DHGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	745802347	QWQVUOPTFSAZDH-YPMHNXCESA-N	310.829	3.720	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1ccc(C)cc1C	747059740	WHLBFBZVKWGQOG-UHFFFAOYSA-N	310.397	3.613	50	20	DHGD	
Cc1cc(NNC(=O)C2(C)CCCC2)ccc1Br	748602316	MUVJQKKIJZHZOD-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)c1cc2ccccc2o1	749817602	LBMYQPKJRATGDV-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@H]1c1ccccc1	750185383	JRMKRRCOEIYGKR-GONKEYIRSA-N	305.337	3.906	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cc(C)ccc2F)c(C)c1	760137666	NCKIOMAZDQXIGH-UHFFFAOYSA-N	318.417	3.986	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761489008	YMSUBOOLGKGHAX-XBXARRHUSA-N	310.227	3.744	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCCC[C@@H]2C(C)C)cc1OC	764655909	YUACMYQKFXCLRX-CQSZACIVSA-N	318.417	3.636	50	20	DHGD	
CC(C)(C(=O)NNc1ncnc2ccsc12)C1CCCCC1	767089719	VNZVSTDXVSYBGT-UHFFFAOYSA-N	318.446	3.741	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)OC2CCCCC2)c(C(C)(C)C)n1	769551477	NBDZCAWSXVHIPP-RAXLEYEMSA-N	315.417	3.500	50	20	DHGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NNc1ccc(F)cc1	770074366	ZJAPLJGPMHTDRP-UHFFFAOYSA-N	316.380	3.657	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(Cl)nc(Cl)c1	771700079	DDPWKCGUIPXEBS-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]2CCC[C@H]21	781093234	GLVUGTHYFWBGDM-QJPTWQEYSA-N	302.256	3.587	50	20	DHGD	
COC1(C=NNC(=O)c2ccc(Cl)cc2F)CCCCC1	790167089	KAGFVDJZRYRCMQ-UHFFFAOYSA-N	312.772	3.544	50	20	DHGD	
CSSCCNC(=O)N[C@H]1c2ccccc2CC[C@@H]1C	790875361	JKXGQDSLXZOHKJ-SMDDNHRTSA-N	310.488	3.620	50	20	DHGD	
CSSCCNC(=O)N1CC=C(c2ccc(C)cc2)CC1	790877198	AASGYQYALFZEMC-UHFFFAOYSA-N	322.499	3.805	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)c1ccc(C2CCC2)cc1	791112966	AEVIBZAVDMWIGR-UHFFFAOYSA-N	323.396	3.729	50	20	DHGD	
CC[C@H](CC(=O)NCCSSC)c1ccc(OC)cc1	791113601	KLHBMKWMDODAGV-GFCCVEGCSA-N	313.488	3.706	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)c(F)c1)NC1CCCCC1	794868004	DBKXTUJAZVEZLZ-CECLRLBKSA-N	307.344	3.596	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	800329250	GFFPKNBFDBOWFN-CYBMUJFWSA-N	321.490	3.954	50	20	DHGD	
CO[C@@H](COC(=O)/C(C#N)=C/c1ccc(C)cc1)c1ccccc1	801812346	FDZICVKQDPHKMO-GQEMFKIVSA-N	321.376	3.833	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)C(C1CCC1)C1CCC1	802832103	YNYKDCDKETVCHW-UHFFFAOYSA-N	312.335	3.763	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc2nccc(C)c2c1	803870206	NDUSIJXTOMUJTJ-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1ccc(F)c2ccccc12	806554032	IAOWIPIQKBPUNM-RVROTUBLSA-N	312.344	3.600	50	20	DHGD	
Cc1cccc(OCCCCC(=O)N(C)CC(Cl)Cl)c1	808248328	GAWJCHSPFVTWPK-UHFFFAOYSA-N	318.244	3.806	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cncnc2-c2ccccc2)c1	810683536	GWROKHYJYXKMDQ-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1sccc1C=NNC(=O)Cc1ccc2ccccc2c1	814807829	MVCYFXGPRRKJJO-UHFFFAOYSA-N	308.406	3.903	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(OC)cc1)c1ccccc1F	815000533	XZGQKQZPIVZOCV-UHFFFAOYSA-N	315.348	3.770	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1cncs1	816782312	RPJWSJGERMCAGR-UHFFFAOYSA-N	303.431	3.651	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccccc1OCC(C)C	834932078	AKXFJPIZNMARKL-UHFFFAOYSA-N	310.397	3.794	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2n[nH]c3c2CCCCC3)cc1	837057748	IAMZXISYFGYJLG-UHFFFAOYSA-N	312.417	3.559	50	20	DHGD	
Cc1cc(F)c(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c(Cl)c1	840719601	LGBYIWQKPAWMEB-WBOGTDJTSA-N	307.752	3.690	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)[C@H]1C[C@H]2C=C[C@H]1CC2	842521741	DIQIYXMTNZINOM-YQQAZPJKSA-N	319.408	3.943	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2C=CCC2)c(C)n1CC(C)C	855421619	IJQVKDUOWYQBTR-DAIOKFOQSA-N	311.429	3.503	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCCc3sccc32)cc1F	856229879	AGKPHHARMHIQBA-CYBMUJFWSA-N	304.390	3.759	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cccc(F)c1Cl	862510071	RRAMGSGVJLNBNX-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863180071	YATXGYSZYQALQZ-WDZFZDKYSA-N	316.348	3.980	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2cc(Cl)ccc2F)CCO1	871271435	OVYAIDVQEUEHQC-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)C[C@@H]1Br	905280100	SHFTVISDIFYXLI-GZMMTYOYSA-N	322.655	3.533	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NNc1cccc(C)c1	912637658	SNMBOHQJZNXDIU-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ncccc2C(F)(F)F)c1	915053379	MVRMXQUECOMXGF-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1ccccc1Cl	915921671	CWDCJLMNDCKHQU-UHFFFAOYSA-N	315.804	3.601	50	20	DHGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)C(C)C	920365453	PLLKLZLBYURKJJ-UHFFFAOYSA-N	300.324	3.786	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC2(CCCCO2)CC1	1120774077	JQQDTQAAFNBFIB-UHFFFAOYSA-N	307.821	3.601	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cnoc1C1CC1	1253428958	XCYKVWSDKATZHW-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CCN(C(=O)CCl)[C@@H](c1cccnc1)c1ccc(F)c(C)c1	1253963404	QDGCITCSCNTHPZ-QGZVFWFLSA-N	320.795	3.706	50	20	DHGD	
C[C@@H](NC(=O)CCl)c1ccc(OCc2ccc(F)cc2)cc1	1319674559	PLUFMQNEQHBDHS-GFCCVEGCSA-N	321.779	3.821	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(F)c1C(=O)O)C1CCCCC1	1592252568	MWFBPAYVDWLURX-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNc1ccc(C(=O)O)cc1F	1595697944	NWOFVCNQNWFSCE-GFCCVEGCSA-N	324.396	3.964	50	20	DHGD	
O=C(CCC1CCCCCC1)NNc1cccc(F)c1C(=O)O	1601266890	WMTOJWOJOKZUPZ-UHFFFAOYSA-N	322.380	3.718	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNc1cccc(C(=O)O)c1C	1603707167	ZGMPSBZUROCRKX-ZDUSSCGKSA-N	318.417	3.909	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(C(=O)O)ccc3F)[nH]c12	1777448248	IEBJGROPVAFASU-JYRVWZFOSA-N	321.311	3.773	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)Nc1ccccc1F	67005860	WIGSOJNEZGIRGA-XFFZJAGNSA-N	316.719	3.730	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cc(C#N)cc(Cl)n1	93545441	QRHDDIXLXFTXEU-NSHDSACASA-N	308.813	3.656	50	20	DHGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2	132463220	PBHPWKDQCCBTOL-RAXLEYEMSA-N	322.343	3.954	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	134270694	YQSGWLWVCPDLDS-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)cc1)NNc1c(F)cccc1F	156549279	PFIKQHHUHSTAHH-RMKNXTFCSA-N	308.715	3.775	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCn2ccc3ccccc32)c1	159265590	GFLQOGFPFUDFBL-UHFFFAOYSA-N	307.397	3.792	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(Oc2ccccc2)cc1	159300653	DFKUCSQMPFXUDJ-PEZBUJJGSA-N	322.364	3.539	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cncs1	178319899	VYDNGOJIVUWBDD-YHYXMXQVSA-N	303.774	3.651	50	20	DHGD	
Cc1cccc(NNC(=O)COc2ccc(C(C)C)c(C)c2)c1	215778658	GTBQFIJKWBAIOE-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1OC(F)F	255012146	UAJIPSRGXAHQLN-GHXNOFRVSA-N	309.312	3.819	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1cc(C)ccc1F	255497374	JECYTFPHILMTSC-QBFSEMIESA-N	314.360	3.689	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1csc2ccccc12	729964491	BJLGHPZWXPIMIE-LWMMSDEHSA-N	300.383	3.522	50	20	DHGD	
CC(C)COc1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1	730145876	ULXDTBSUCGUKFC-UHFFFAOYSA-N	306.406	3.922	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cccc(F)c2F)n1	730729876	PLLROUHLTYRDGR-POHAHGRESA-N	320.320	3.662	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(F)c(F)c1)c1ccccc1	731931092	BOLSHIRAGUNETO-OAHLLOKOSA-N	316.351	3.999	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1	732761655	LMRUCMNQFIOVID-FZMZJTMJSA-N	307.353	3.648	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CC1	735973405	IIKNTMXODFWPKP-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CCC(=NNC(=O)CSc1nc2ccccc2s1)C1CC1	741161343	QHWFZFKSZAQYOD-UHFFFAOYSA-N	319.455	3.681	50	20	DHGD	
Cc1cccc([C@H](C)CNC(=O)NNc2c(F)cccc2F)c1	741427199	XROMZJGEGWBYDF-GFCCVEGCSA-N	319.355	3.703	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cn(C)c2ccccc12	744781071	ZDQNQHHBUZYQMS-UHFFFAOYSA-N	309.369	3.510	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)s1	746695695	OQTCSSRVWVTZMG-UHFFFAOYSA-N	312.753	3.500	50	20	DHGD	
CN(NC(=O)[C@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1	747470660	ZBHIFOLRTQOHLQ-CVEARBPZSA-N	300.789	3.611	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc3ccccc3c2C)c1	748366290	NWERVTKCVZALFM-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2cccc3c2CCCC3)n1	748588301	JBCHJQFHOITCMY-UHFFFAOYSA-N	309.413	3.841	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2ccc3c(c2)OCCO3)CC1	751520686	JPJAAEQUQJRMDE-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756018273	TVLOZFPIIYRCLO-MELADBBJSA-N	317.389	3.644	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc(Br)c1)C(C)C	763555928	HABHNRQGPRAFDL-ZDUSSCGKSA-N	313.239	3.965	50	20	DHGD	
CSc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)nc1	768161844	YAABGUXVZSMWIM-SNVBAGLBSA-N	317.252	3.552	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	771706456	BHVVUDVHXGDPCI-JSGCOSHPSA-N	316.376	3.926	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C)c(OC)c2)c1	772176278	LMHQMADBSUFJCI-CXUHLZMHSA-N	307.349	3.802	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)C1CCSCC1	777440059	AMLZLYHGORGSMZ-UHFFFAOYSA-N	304.459	3.645	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	780149117	WFXJLXQMMMARER-WMZJFQQLSA-N	314.694	3.568	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2CC(C)(C)C2)cc1	781847012	ZRDAJGRGJLFELH-CXUHLZMHSA-N	312.413	3.545	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)c2ccccc21	787048465	GETDVYWBXYKHJW-IZCBMXNHSA-N	318.376	3.840	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1ccc(F)cc1	789887601	IGAITYPESJPCRF-UHFFFAOYSA-N	304.390	3.836	50	20	DHGD	
COc1cc(NNC(=O)CCCc2ccccc2)ccc1Cl	790166011	LNAYGKQMEKQBIC-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNc1cccc(F)c1	792259402	OEYPTBBDKIMCIM-ZDUSSCGKSA-N	324.355	3.890	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)c1cc2ccccc2o1	794914258	GGMUELYFLWAKIC-AWEZNQCLSA-N	319.364	3.881	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](c1ccccc1)C1CC1	795576122	WYGJXHAICXXKID-CQSZACIVSA-N	309.203	3.675	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cccc2cnccc12)c1cccnc1	797949481	UQLOAIKPPONSPJ-SFHVURJKSA-N	320.396	3.513	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@H]2CCCC[C@H]21	806861492	PHDFFFTWLUPXOZ-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
CC[C@@H](O)[C@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808727231	DKHYGJRMXIAWGF-HUUCEWRRSA-N	301.547	3.634	50	20	DHGD	
CC[C@H](CNCc1ccc(OCCCCl)cc1)N1CCCC1	811473474	AIMLINTZWDANNU-QGZVFWFLSA-N	324.896	3.658	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)COc1ccccc1O	814952376	XEINHHNYEXVYHI-HNNXBMFYSA-N	318.417	3.646	50	20	DHGD	
Cc1c(C(=O)NNc2cc(F)c(F)c(F)c2)ccn1C(C)C	815857323	YSKMWPVHXJRWJE-UHFFFAOYSA-N	311.307	3.552	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)C2CCCC2)c(-c2ccc(F)cc2)n1	834434895	WNYHTAMHWUCMDK-XNTDXEJSSA-N	323.371	3.892	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H](C)c2cccc(O)c2)cc1	838466688	SGHQNHWDYKVTAI-CYBMUJFWSA-N	313.401	3.903	50	20	DHGD	
COC(C)(C)CC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378577	IQLBFKIABOHJRL-UHFFFAOYSA-N	324.730	3.617	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849177585	ACRFOCYNRPSFQO-QMJOVRGKSA-N	313.397	3.767	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCc2cccnc2)C1	852525093	SWRDFFUFZMIVOV-INIZCTEOSA-N	306.526	3.720	50	20	DHGD	
CC(C)(C)C(=O)NNc1ccc(Cl)cc1Br	856233549	RGZUTWBNTKXIHY-UHFFFAOYSA-N	305.603	3.592	50	20	DHGD	
Cc1ccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)c(Cl)c1	857391884	VEROLJXLHFLJIX-WCQYABFASA-N	316.626	3.552	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C#N)ccc1Br	899344731	WUVMYEMLAUPLOP-JLATVTFTSA-N	317.186	3.843	50	20	DHGD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@]1(C)C[C@H]1Br	906710925	QSCGKCTXKUBGKA-UJDVCPFMSA-N	322.246	3.565	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1cc(C)oc1C	916243928	BYSFFBYUWOHKFL-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
CC(C)CC(=O)NN=C/C(Br)=C\c1ccccc1	916342597	HTGWESIEAKXCJQ-TUDQHJMQSA-N	309.207	3.571	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCCC2)NNc1ccc(F)cc1F	916552356	WBZDSDAKDMYVBI-UHFFFAOYSA-N	316.351	3.529	50	20	DHGD	
Cn1c(/C(C#N)=C/c2cccc(OCC#N)c2)nc2ccccc21	917620080	RIOLBTCALAENJM-RVDMUPIBSA-N	314.348	3.540	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(C(C)(C)C)nn1	1318837974	UOLWXOCSVCMUAB-CYBMUJFWSA-N	306.454	3.824	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@H](C)CC2CCCCC2)c1	1324282654	WONFMEWFADBHNS-GFCCVEGCSA-N	308.397	3.884	50	20	DHGD	
CCC[C@@H](C)c1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)n[nH]1	1329333923	HVUGJHBELCPHPC-ZMTLZGASSA-N	324.384	3.565	50	20	DHGD	
O=C(NN=Cc1cc(F)c(F)cc1F)c1ccccc1Cl	1340590054	NBOBKIWKCLVJAL-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
O=C(Nc1cccc(Cn2cccn2)c1)C1CCC(Cl)CC1	1346163857	KAAGSUUHKOPWKE-UHFFFAOYSA-N	317.820	3.668	50	20	DHGD	
O=C(N[C@H]1CCOC2(CCCCC2)C1)C1CCC(Cl)CC1	1351667144	TXMPLFPNXKJGBY-NRXISQOPSA-N	313.869	3.782	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1F	1777465122	KDIIXWJREUNNCS-NTEUORMPSA-N	309.296	3.622	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccccn1	15434617	UESZABODCMIHRM-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(OCCCCCC)cc1	40889307	ASCYMMNWNAMNOW-VKAVYKQESA-N	312.413	3.855	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(Cl)ccn1	60775944	NWTSBAOXJWXVPC-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1ccncc1	91539876	YBTAETHQVACPSI-NTCAYCPXSA-N	315.332	3.887	50	20	DHGD	
CN(C[C@H]1CCCOC1)C(=O)CCCC[C@@H]1CCSS1	107650546	RBSXTBWRYPQDOV-ZIAGYGMSSA-N	317.520	3.586	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1ccccc1Cl	158402560	FNDGIYDCVVFZFM-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Br)cs2)cc1	158785354	ZFQAILCQATXAFT-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CC(C)(C)O[C@H](C(=O)NNc1ccccc1F)c1ccccc1	161083726	FSORWIBAWRUTHT-INIZCTEOSA-N	316.376	3.825	50	20	DHGD	
CC(C)(C)C[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1	180502906	RTIKKSDEJIMGES-CHWSQXEVSA-N	319.536	3.614	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccn1)c1ccc(C(F)(F)F)cc1	181254400	KIYIXTSBQZCKMY-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)[C@H](C)c1ccccc1	185790052	RIWHZPNFGMUHCP-IHCWGGNOSA-N	320.392	3.608	50	20	DHGD	
CC[C@H](C)Oc1ccc(NS(=O)(=O)CCCCCl)cc1	190748527	MFWUTWXQWMZCLU-LBPRGKRZSA-N	319.854	3.625	50	20	DHGD	
N#CC1=CCN(C(=O)CCc2cccc(OC3CCCC3)c2)CC1	271088664	HQILKHDYVNFMPO-UHFFFAOYSA-N	324.424	3.623	50	20	DHGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNc2ccccc2Cl)CCO1	272887826	WLOMHRJVTJGSFG-SWLSCSKDSA-N	310.825	3.624	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCC(F)(F)C1	282434009	JDOJMXQUOWXSFX-VIFPVBQESA-N	322.277	3.974	50	20	DHGD	
CCCN(C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C)C1CC1	728837476	KTDIJCYDGLGXMZ-ATVHPVEESA-N	313.445	3.823	50	20	DHGD	
CCC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(O)cc1	731150860	OPJJBGPZICRJDX-UHFFFAOYSA-N	310.397	3.600	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1	733212914	DACDJVSQFFFNSF-KRWDZBQOSA-N	316.445	3.834	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	741469812	MWYOTYVZHTWRFB-NTEUORMPSA-N	304.353	3.648	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2ccccc2Cl)c(C)c1	743765398	NAKIIEYUTVOIQN-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
O=C(COC1CCCCC1)NNc1ccc(Cl)cc1Cl	748008146	FSEOQBFZPLLTLQ-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccccc1F	748049147	VTAWPPRMCSZQQO-OAHLLOKOSA-N	300.377	3.784	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)[C@@H](C)c1nc2ccccc2s1	748780621	MTCNFTYSOWLVGM-SNVBAGLBSA-N	312.398	3.534	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3c(F)cccc3F)CCC2)c1	749536451	PMXQLCJSJSUNFO-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
N#C/C(=C\c1ccccc1C1CC1)c1nnc2n1CCCCC2	750817171	DAIOGZZRUACVSD-FOWTUZBSSA-N	304.397	3.946	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H]2c2ccc(F)cc2)o1	752172942	VCDOODTVZRUPFS-CQSZACIVSA-N	300.333	3.781	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(C(C)C)CC2)cc1	753322592	YAKLSJZYPFBIHO-LFIBNONCSA-N	312.413	3.545	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	759152100	YBBNTRNMVQZAIK-VHSXEESVSA-N	311.769	3.518	50	20	DHGD	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)c(C)n1C	763625077	UXGQCNGMPJOREN-UHFFFAOYSA-N	312.200	3.706	50	20	DHGD	
Cc1cccc(F)c1CNC(=O)[C@@H](Br)C(C)(C)C	768203346	YLSBENSBPOGCRV-GFCCVEGCSA-N	316.214	3.560	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1c(F)cccc1Cl	770196844	BRRXCBQJQNZPTD-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc2ccn(C)c2c1	771160087	GYLYLOGFBWZYPH-UHFFFAOYSA-N	312.348	3.774	50	20	DHGD	
Cc1ccsc1CNC(=O)NNc1c(F)cccc1Cl	771311817	UTEPIFQWZGPXSC-UHFFFAOYSA-N	313.785	3.675	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2c(C)cccc2F)cc1	771687647	AEIHOOJIQRAAFR-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)cc1F)c1nc(-c2ccccc2)no1	772807212	QFBMNAHXCRDKEF-DHDCSXOGSA-N	316.295	3.812	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1nc2c(s1)CCCC2	776266382	QLUTYAXTMFTMOZ-JLHYYAGUSA-N	323.421	3.876	50	20	DHGD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)NNc1ccccn1	779072350	ILIINCRDHZQQCW-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
CC[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)c1ccccc1	785344909	NSAQKCZPURHDGI-VJSYINPZSA-N	319.360	3.798	50	20	DHGD	
COc1cc(NNC(=O)CCCc2ccsc2)ccc1Cl	790174046	BGHRGDLUROUFMS-UHFFFAOYSA-N	324.833	3.876	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	793710777	QMISDQGWIINRBI-RISCZKNCSA-N	312.360	3.948	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)[C@H]1CCCOC1	794877870	MZFAVSQPAJARCF-KFXIKWRMSA-N	307.349	3.849	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794942913	SHAATZWFFVBZFR-KECPUOCWSA-N	311.360	3.924	50	20	DHGD	
C=C(CBr)COC(=O)Cc1cccc(C)c1Cl	795624740	QQWVDGFBEVFMRS-UHFFFAOYSA-N	317.610	3.685	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC=C(c2ccco2)C1	796121534	CJQMOKSHGYKDNX-CAOOACKPSA-N	321.336	3.842	50	20	DHGD	
O=C(NNc1ncccc1F)[C@H]1C[C@@H]1c1cccc2ccccc12	804214475	YNEAOPAUHVHOKV-CVEARBPZSA-N	321.355	3.621	50	20	DHGD	
CCCN(NC(=O)c1cc2occc2s1)C(=O)OC(C)(C)C	804594723	OJVXIOZOGJQBDG-UHFFFAOYSA-N	324.402	3.786	50	20	DHGD	
O[C@H](CNCc1ccc(OCCCCl)cc1)c1ccccc1	811472110	WEFPIHVZZFEUJZ-GOSISDBHSA-N	319.832	3.518	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)CCCc2ccccc2)s1	814833550	LQUDEKPKVZHGNT-UHFFFAOYSA-N	315.442	3.740	50	20	DHGD	
O=C(NNc1ccccc1Br)[C@@H]1CC2CCC1CC2	815851131	RSXORRQPZYLOEA-HTAVTVPLSA-N	323.234	3.719	50	20	DHGD	
C/C(=C\C(=O)NCC(Cl)Cl)c1ccccc1OC(F)F	819794971	QJFHJSNPKWLTLG-SOFGYWHQSA-N	324.154	3.611	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@@]1(C)CC1(Cl)Cl	827180676	LPFYWADPRMKVRY-LBPRGKRZSA-N	305.180	3.551	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)C2CCC(O)CC2)c(Cl)c1	841438185	FYXBZWXQDHXYSY-UHFFFAOYSA-N	324.852	3.669	50	20	DHGD	
NC1C[C@@H]2CCC[C@H](C1)N2Cc1ccc(OCCCCl)cc1	843053834	UCAIHMPXRKDBIV-ALOPSCKCSA-N	322.880	3.539	50	20	DHGD	
CC(C)O[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	843921107	CSPZDLCAKMXUDK-KGLIPLIRSA-N	317.520	3.726	50	20	DHGD	
Cc1cnc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)o1	844348269	UQFOCXAMJWYCDS-AWEZNQCLSA-N	310.514	3.969	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)OCC(F)(F)F)c1ccccc1	853430054	WMJDFMWCEDBVJK-GFCCVEGCSA-N	302.296	3.701	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C3CCCCC3)[nH]n2)cc1F	856230386	NXJXAWWZSOBMSD-UHFFFAOYSA-N	316.380	3.662	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(N2CCCCC2)cc1	915974327	JUUBHNLZJRXSIZ-CQSZACIVSA-N	301.434	3.563	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c1	918714476	XUQITKNVPGEJCM-YVLHZVERSA-N	305.333	3.792	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2ccccc2Cl)cc1	919353210	NXLOTRPTLGIHDL-UHFFFAOYSA-N	302.805	3.978	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	1317701179	CQKXQJWZUOLTDM-GDNBJRDFSA-N	305.333	3.556	50	20	DHGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNc1ccc(Cl)cc1)C2	1319389690	OYAXXAOCRVSUJJ-OAHLLOKOSA-N	318.829	3.809	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@@H]2CCC[C@@H](C)C2)cc1Cl	1321768889	OQMAHSLSGXIMLO-BXUZGUMPSA-N	310.825	3.687	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)c(OC)c1	11333724	AFJNVBQQQFXJHM-UKTHLTGXSA-N	311.312	3.633	50	20	DHGD	
CCO[C@H](CBr)c1ccc(Br)cc1	50479653	RMQRWFFTLYLVNT-SNVBAGLBSA-N	308.013	3.922	50	20	DHGD	
CC(C)Oc1ccccc1NC(=O)NNc1ccc(F)cc1	92424145	IZLFWASLGGJNGY-UHFFFAOYSA-N	303.337	3.762	50	20	DHGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(-c2ccccc2)cc1	118498470	QWPGVHHIOWNEJG-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)n1	122149536	WKGCQWWVDDEFOI-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1	126661505	OSIMOOPTIUWSEY-UHFFFAOYSA-N	311.429	3.907	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2ccc(Cl)c(F)c2)s1	127131873	BQXHTEZBSNFLOS-UHFFFAOYSA-N	313.785	3.816	50	20	DHGD	
O=C(Cc1ccsc1)NNc1cc(C(F)(F)F)ccc1F	128987140	BXYJPXGWXUUYOD-UHFFFAOYSA-N	318.295	3.592	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc(Cl)c1	132862761	BHAUOBOPCYVQSD-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1	158817101	LFEIOMIMNJWACW-HUUCEWRRSA-N	300.427	3.920	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccccc2C(F)(F)F)c1	171366425	KLDUMAABHCLZOE-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3ccc(F)cc3)cnc12	172691616	CMENWVUPFLZNTM-NTEUORMPSA-N	305.312	3.572	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)C1(Cc2ccccc2)CC1	176297311	CYYZBCWSLZMUIW-UHFFFAOYSA-N	320.314	3.570	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C#N)s1	176401063	VQBCESLBLCAUOC-MDWZMJQESA-N	307.378	3.782	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2nc3ccccc3cc2C)c1C	181320071	JBOGZUMZPSVQSO-UHFFFAOYSA-N	322.412	3.738	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2c(C)cccc2F)s1	184335540	LDMZTPDKQOLZLR-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1scnc1C1CCCC1	185378553	OQDRQEUQCYFRMN-UHFFFAOYSA-N	322.821	3.606	50	20	DHGD	
O=C(/C=C/c1ccccc1)NNc1ccccc1OC(F)(F)F	190191908	JHEDQBAQPZBWSY-ZHACJKMWSA-N	322.286	3.742	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(C)cc2)cc1	193221810	FGICSRDXTTYYFE-PWDRBQJJSA-N	320.392	3.788	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)cc1)NNc1cccc(Cl)n1	492893708	MVRQFXIGOLTKCI-RMKNXTFCSA-N	308.168	3.545	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(Cl)ccc1O	588431431	GVWYZINTDKGSFL-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
CCCC(=NNC(=O)C(C)C)c1cccc(C(F)(F)F)c1	726418033	YEOQEYPSXWYUDW-UHFFFAOYSA-N	300.324	3.982	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccc(C)s1	730145966	AFHKCGPNOYYXJY-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1OC	732577643	QSHATAXIUVWHCO-UVTDQMKNSA-N	311.337	3.867	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccc(Br)c2)C[C@H](C)C1	747763132	AIAGQNFVGQTVDG-PHIMTYICSA-N	323.234	3.991	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)CC2	752064158	CTSRIBZIYSYMMT-QMDZLVRISA-N	320.367	3.845	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2sccc2C2CC2)cc1Cl	753315336	GTJHSPDSQNVOAZ-UHFFFAOYSA-N	317.801	3.907	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)n1	762451764	SVJPAJBRRCKZAK-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)ns1	766323097	IDVCDGZAAMPAEW-UHFFFAOYSA-N	323.421	3.803	50	20	DHGD	
CN(CC1CCCCC1)C(=O)[C@@H](Br)C(C)(C)C	767032073	PYVPHUJHBHSDCN-GFCCVEGCSA-N	304.272	3.835	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)NCCc1cccs1	767379762	MOLORTHVTMMKNW-UHFFFAOYSA-N	321.833	3.586	50	20	DHGD	
Cc1cc(C)c(NC(=O)[C@H](Br)C(C)(C)C)cc1O	768445964	FHHMJSGAYQGMLU-LBPRGKRZSA-N	314.223	3.757	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)c1c[nH]c2ccccc12	775641675	ARHOYBQYHAVNBE-ZDUSSCGKSA-N	315.417	3.535	50	20	DHGD	
Cc1ccc(F)cc1NC(=O)[C@H](Br)C(C)(C)C	781066848	OZJKMOKBFQRTSV-NSHDSACASA-N	302.187	3.882	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)C1CCC(F)(F)CC1	788704674	NHJANOOMYJNXDA-UHFFFAOYSA-N	324.371	3.691	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)C(C)(C)C)c1	794927577	TZPABJNYYWRYHY-XYOKQWHBSA-N	305.761	3.649	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1cccc(F)c1	794945309	ZBRMBKCGPJDIOL-YFHOEESVSA-N	303.239	3.599	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCCF)c(C)n1C1CCCCC1	798059747	QJEZTGSWOJVGNA-LFIBNONCSA-N	317.408	3.603	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)N(C)CC(Cl)Cl)cc2C1	808246955	NJTBPLYGPUSZOZ-QMMMGPOBSA-N	306.258	3.749	50	20	DHGD	
CSCCCC=NNC(=O)COc1ccc(C(C)(C)C)cc1	814704878	QNVWMLCIGASSBA-UHFFFAOYSA-N	322.474	3.608	50	20	DHGD	
CCCc1ncc(C(=O)NNc2ccc(C)cc2Cl)s1	836937119	WXQHIURXBHMWJW-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Cc2ccc(Cl)cn2)cc1	837054419	YQSDPLAPPCDADV-UHFFFAOYSA-N	303.793	3.544	50	20	DHGD	
CC[C@H](C)CC(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848388263	LTARCJHQVUDQQL-VIFPVBQESA-N	324.837	3.738	50	20	DHGD	
Cc1nccc(N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	853896853	MMZABYLQMDLLMS-CQSZACIVSA-N	307.514	3.776	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2cc(C)ccc2C)c1	857503717	OVXOBPBDXOVPDS-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
FC(F)(F)C1=CCN(C[C@H](CBr)C2CC2)CC1	859208379	MSSXUPDMHYBRPW-JTQLQIEISA-N	312.173	3.602	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(CC3CCC3)c2)s1	899344646	URWXRULDCAOXGW-CHHVJCJISA-N	311.410	3.843	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)CC)c1ccc(Br)cc1	915973701	DHEOKJJLOYPYCM-SNVBAGLBSA-N	311.223	3.726	50	20	DHGD	
O=C(COC1CCCC1)NN(Cc1ccccc1)c1ccccc1	916032297	PIQQKVXPJRGHPG-UHFFFAOYSA-N	324.424	3.684	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C[C@@H](C)c1ccccc1	916304803	OTRWNVOCZLPLAI-OAHLLOKOSA-N	310.397	3.534	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)Cc1csc(C)n1	916317759	WNSVFSYUXFWFSZ-LJZDZPLASA-N	305.447	3.789	50	20	DHGD	
COc1ccc2cc(C=NNC(=O)c3ccccc3C)ccc2c1	916361024	OJVUMAAVUJFCHZ-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
Cc1cc(C)cc(OS(=O)(=O)c2ccc(CCCl)cc2)c1	917842082	JMVVPMOCDODHFV-UHFFFAOYSA-N	324.829	3.852	50	20	DHGD	
C#CCNC(=O)Nc1ccccc1S[C@@H](Cl)C(F)(F)F	918189616	WPLCSCIGZOIJKD-SNVBAGLBSA-N	322.739	3.661	50	20	DHGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)N1CC=C(C#N)CC1	1254374332	KGYYRFBMKDUMML-UHFFFAOYSA-N	321.380	3.761	50	20	DHGD	
COc1ccc(C(=O)N2CC=C(C#N)CC2)cc1-c1ccccc1	1325080123	AEEGHGWMSLWIMO-UHFFFAOYSA-N	318.376	3.658	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C\C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	1776131119	IFHYNEKLZSYHEU-GAARHNRQSA-N	320.304	3.757	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1F	67980034	GLTAYFLTJOBRIU-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cn1	111998230	ZQMILVLGKHGTLE-YBEGLDIGSA-N	316.364	3.602	50	20	DHGD	
CN(C(=O)/C(C#N)=C\C1=Cc2ccccc2OC1)C1CCCCC1	112224605	AFPKRMSMWIBTGN-ATVHPVEESA-N	322.408	3.703	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccncc2)ccc1C(F)(F)F	122118965	UGSZZPHLXUQZDS-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)C1CCCCC1	128845539	NULWQOCOLLKFQK-SFQUDFHCSA-N	309.413	3.738	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2SCCc3ccccc32)c1	158977909	SZXYZIYEOJZPNV-KRWDZBQOSA-N	312.438	3.777	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(F)cc1F)c1ccc(F)cc1	172161655	FERXDTMTONGOKD-CSKARUKUSA-N	306.287	3.651	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc2cc(F)ccc2o1	178521098	FBZPMHLBXUAUIF-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
O=C(NNc1ccccc1F)C1(Cc2cccc(F)c2)CCC1	186495649	DWYXJIPKTNPTNT-UHFFFAOYSA-N	316.351	3.821	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1	210013353	CYHVKCFTTZLJMP-ZROIWOOFSA-N	302.333	3.966	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)c1c[nH]c2ccccc12	255067794	LLBOABAACDZIFK-XFFZJAGNSA-N	303.346	3.891	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCCC(F)(F)C1	283528017	NOHIWFSZHVOIKQ-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)C(=O)Nc1ccccc1	490911556	VIAAMMDUJXXLFT-FLIBITNWSA-N	318.163	3.934	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2cccc3ncccc23)c1	730146172	JDZLPZBGHKQKRI-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1cc(F)ccc1F	731152427	GWMXCRLLHYXIAF-UHFFFAOYSA-N	316.351	3.783	50	20	DHGD	
CCS[C@@H](C(=O)NNc1nccc2sccc12)C(C)C	734250205	QFUALELQDNNQSL-GFCCVEGCSA-N	309.460	3.517	50	20	DHGD	
C=CC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	735065929	LDCHUCDPYBTDQN-KPYNCUPYSA-N	313.445	3.749	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNC(=O)c1ccncc1	742462582	HHUPSGXEAZVYJD-GOSISDBHSA-N	319.449	3.619	50	20	DHGD	
Cc1nc(-c2cccc(C(=O)NN(C)c3ccccc3)c2)cs1	743291639	POFDBNYRSDGTCK-UHFFFAOYSA-N	323.421	3.900	50	20	DHGD	
CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(C)cc1	744780861	LIAOKLXOZLNWMS-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
N#CCn1c(C(=O)NNc2ccc(Cl)cc2)cc2ccccc21	749276281	PYVMKTMPNSUVMX-UHFFFAOYSA-N	324.771	3.575	50	20	DHGD	
Cc1ccccc1CN1CCN(/C(=C/C#N)c2ccccc2)CC1	750599840	MPGXPNWRMFSJDO-SRZZPIQSSA-N	317.436	3.677	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccccc1C1CC1	751134209	KPABPIHVKAGCSN-UHFFFAOYSA-N	312.800	3.910	50	20	DHGD	
Cc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)c1	751537955	KNQLRWQJPIRFNZ-LDADJPATSA-N	322.383	3.708	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1COc2ccccc21	752811373	TUMMKENNXPECPJ-LLVKDONJSA-N	323.179	3.613	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cnnc3ccccc23)CCCC1	755804459	QEYBTDMAATUXDE-UHFFFAOYSA-N	312.417	3.679	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCOC(C)(C)C)cc1	757025645	ROSPKVZHXLEVBQ-FOWTUZBSSA-N	301.386	3.650	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1cccc(C(F)(F)F)n1	761569353	PCBWYMHGMLHSSY-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ccc(Br)cc2)C1	762794400	FAFAWVDJNIMUIX-QLWWJYNRSA-N	309.207	3.639	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(COc3ccccc3)cc2)CC1	767176675	IRFBPMFBSARGRF-UHFFFAOYSA-N	318.376	3.561	50	20	DHGD	
CCCCO[C@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	768010443	FJFJJCVZZZIZJN-MRVPVSSYSA-N	323.195	3.781	50	20	DHGD	
Cc1nc(C(=O)NNc2ccc(C(C)(C)C)cc2)sc1C	770711396	RXJKVFSRZYZDLC-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
CC[C@@]1(C)COCCN1C(=O)CCCC[C@H]1CCSS1	771375657	SBMAVOMPJOWHTN-ZFWWWQNUSA-N	317.520	3.728	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)c1ccccc1F	785448929	FCLHGFTZBRGCAF-UHFFFAOYSA-N	324.277	3.917	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCC(=O)c3ccccc32)c(C)c1	786426835	KAMTVLFAEVUQIM-KRWDZBQOSA-N	322.408	3.815	50	20	DHGD	
Cc1coc(C)c1C(=O)NNc1cc(C(F)(F)F)ccc1F	786445730	CSOREUSUAYHXIB-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@H](CCO)c1ccccc1	788019545	AEOALSYRATVLAX-MRXNPFEDSA-N	309.526	3.722	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2ccsc2Cl)c1	790143699	UGFIFYXQISUSRL-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1/C=C/c1ccccc1	790879910	VDNFRTZDJGOBSW-FEAKQIBJSA-N	322.499	3.885	50	20	DHGD	
Cc1csc(C(=O)NNc2cccnc2Cl)c1Cl	792372843	ZNFZQJCDRAGDPF-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1ccc(O)c(O)c1	794551775	SMJUVSUWLAFCQB-ZDUSSCGKSA-N	318.417	3.954	50	20	DHGD	
CCCN(N=Cc1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C	794998696	UHPYEJHNXBBURT-UHFFFAOYSA-N	307.350	3.576	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)c1cccs1	798143527	XJPICMPDEHODQB-SECBINFHSA-N	324.837	3.562	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(C)cc1-c1ccnn1C	801648433	YYLWFUXMZMBGAV-VBKFSLOCSA-N	323.396	3.646	50	20	DHGD	
C#Cc1ccccc1CC(=O)NNc1cc(Cl)cc(Cl)c1	811448622	YTWHYOWKXFPUBX-UHFFFAOYSA-N	319.191	3.661	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc([N+](=O)[O-])s1	812769554	MOHVOEHOLPVYOY-UHFFFAOYSA-N	319.386	3.845	50	20	DHGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNc1ccc(F)cc1	814268700	FSJIKYCTHMQQDH-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1cccc(C(F)(F)F)c1	815850706	YTGANSJGEDMEHB-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1CC(c2ccc(F)cc2)C1	815853043	SITFEYCXMYZANH-UHFFFAOYSA-N	320.314	3.741	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	827515613	BOMZWHFUYYJTMB-IINYFYTJSA-N	316.323	3.855	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(C)cc2Cl)C1	836936085	YEQPMQBXYRHSPZ-STQMWFEESA-N	310.825	3.687	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNc1oc(C(C)C)nc1C#N	843779420	RMNRXYBAIKSLPZ-ZDUSSCGKSA-N	318.421	3.885	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCCn1ccnc1	844348733	CUDXXEKZZXYCDF-INIZCTEOSA-N	323.557	3.759	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccccc1C(C)C	846759025	UKNRULOZQDEOBY-SFQUDFHCSA-N	314.429	3.648	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)N(C)CC(Cl)Cl)s1	848084647	UIRKXGPEFPBEKS-UHFFFAOYSA-N	317.241	3.927	50	20	DHGD	
CSc1ccccc1CC(C)=NNC(=O)OCC(F)(F)F	853429035	AOBMPLYNRKZCRX-UHFFFAOYSA-N	320.336	3.615	50	20	DHGD	
CC(C)(C)SCCCC(=O)NC[C@@]1(C)C[C@H]1Br	857392369	BCBNDKXIUQRLQA-ZWNOBZJWSA-N	322.312	3.588	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(NC)ccc2Cl)cc1	857512386	NFIUTEBBGQQJKT-UHFFFAOYSA-N	319.792	3.537	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1cccc(F)c1Cl	862508578	VTPLJCNYQZZARR-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)n1	862525547	ROGGDFZIXBYTFE-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccc(F)cc3F)CCC2)c1	874100286	IZDHDXAUIAEWFI-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNc2ccc(F)cn2)cc1	878436566	LBXTUWSTOOIDND-LLVKDONJSA-N	318.352	3.547	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cc(Cl)nc2ccccc12	916237630	KEKLMFYDEABDHX-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC(C)c1cccc(NC(=S)NN(C)C(=O)OC(C)(C)C)c1	920075022	KNVOLIXWPFTYCB-UHFFFAOYSA-N	323.462	3.878	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(C)cc(C)c3)n[nH]2)cc1	932443892	TZJCTSVSJDPBRC-UHFFFAOYSA-N	320.396	3.759	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccc(F)cc1F	1318829587	BDPZREDTVRJJIO-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
N#C/C(=C/c1c(F)cc(C(=O)O)cc1F)C(=O)c1ccsc1	1777565688	KZFWXKARJXEALI-KMKOMSMNSA-N	319.288	3.514	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)NCc1ccco1	5874780	FBCPARUUAHUBGL-RVDMUPIBSA-N	318.332	3.763	50	20	DHGD	
CN(NC(=O)c1cc(F)c(Cl)cc1Cl)c1ccccc1	15832452	SOQAXAMROXYJER-UHFFFAOYSA-N	313.159	3.914	50	20	DHGD	
O=C(NNc1ccccc1)c1cccc(Oc2nccs2)c1	76989880	CMAKJNMVWPGNDE-UHFFFAOYSA-N	311.366	3.692	50	20	DHGD	
Cc1noc([C@@H](C)OC(=O)CCCC[C@H]2CCSS2)n1	78824724	HQFJNJBLBHCYIB-KOLCDFICSA-N	316.448	3.696	50	20	DHGD	
COc1ccccc1CCC(=O)NNc1cccc2c1CCCC2	120202660	VLILNTAFNQIRCW-UHFFFAOYSA-N	324.424	3.650	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	121781244	GCNLGMKODSKOKP-UHFFFAOYSA-N	320.339	3.709	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	124808122	KWKIFWGJJIUSLP-NTEUORMPSA-N	311.410	3.552	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1)c1ccc(Br)cc1	128305385	SQAWIXJHGHFSTB-NSHDSACASA-N	319.202	3.696	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(Cl)cc2cccnc12	154802613	MBGLQSIIGHHVJE-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccc1C(F)(F)F)c1ccncc1	157979675	JIHXQHPCMRXDMG-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)/C=C/SCc2ccco2)c1	158624944	ORWGUUUPIZQTKG-FNORWQNLSA-N	302.399	3.787	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1C#N	173017650	ZPCVDNALLCOOGY-VCHYOVAHSA-N	316.360	3.974	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C(F)(F)F)cc1	184315343	DVSRLQOAKCVIJL-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1ccccc1F	212686021	XBEISTABYGZRDS-GDNBJRDFSA-N	317.323	3.801	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)c1	213235393	ZPPQFQFDODBUAC-GZTJUZNOSA-N	316.360	3.860	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2csc(C(C)(C)C)n2)c1	268429659	RJJUCHJGLNSCLZ-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(C3CCCCC3)c2C)cc1	272646679	DNMNXZFETAMGML-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1c(F)cccc1Cl	295081138	XTQYTJGMHOHOEX-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C2(c3cccnc3)CCCC2)c1	365969388	ISSXCBMKFPWBGC-UHFFFAOYSA-N	309.413	3.654	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)nc2)c(C)c1	490725705	JMTSUAXRGLQOFX-RIYZIHGNSA-N	311.772	3.898	50	20	DHGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)NC1CCCC1	491086783	VEMZDMXREUSUDJ-WEVVVXLNSA-N	314.332	3.733	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc(OC(F)F)c2)c(C)c1	728433589	KEGSBXCAKVFABV-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1nc2ccccc2s1	734278978	PVTCKVFQZFKDRP-LLVKDONJSA-N	312.398	3.684	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NN=C1CCC[C@H](C2CC2)C1	737420501	KAMXEWPPDKFMBK-ZDUSSCGKSA-N	320.820	3.791	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Cl)cc1	740099863	GDXSDCZMBHVUES-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCCCN(C)CC1CCN(/C(=C\C#N)c2ccccc2)CC1	750802170	VZXVRUMNESDJBD-JMIUGGIZSA-N	311.473	3.995	50	20	DHGD	
CSCCCCCCNC(=O)NNc1c(F)cccc1F	753262064	QPFNPOQQSXGVRL-UHFFFAOYSA-N	317.405	3.514	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccc(Br)cc2)C1	759196332	LJRUHYDDTJSKEC-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
COc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)s1	763169327	QOLKWYWZKYFYAH-UHFFFAOYSA-N	324.405	3.603	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)c1ccc(Cl)cc1F	765580482	JFPZLXAHVSHYEW-UHFFFAOYSA-N	319.767	3.591	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)c1ccncc1)CCCO2	767742380	AAEXKNKUWBORPP-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1oc2ccccc2c1CC(=O)NNc1c(F)cccc1F	768299152	CMEQOJUSIFBQIS-UHFFFAOYSA-N	316.307	3.705	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ccc(F)c(F)c2F)CC1	769021742	QTAZTIKYPASSSB-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
C/C(=C\C(=O)OC[C@H](C)CBr)c1ccc(F)cc1	770363516	WIFVURMPVSBSKR-UEUZTHOGSA-N	315.182	3.803	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(Oc2ccccc2)cc1	773585402	NJMGHRGBNCCIHN-UHFFFAOYSA-N	312.394	3.813	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=S)Nc1cccc(C)c1	775782468	HIUCCNFDDPMHNW-CQSZACIVSA-N	321.490	3.919	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccc3ccccc3n2)c1F	777460014	KWKSROFABKNXRJ-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cc(F)cc(F)c2)cc1	782243585	UZNZJNPMIJPULB-GIDUJCDVSA-N	313.303	3.924	50	20	DHGD	
Cc1ccc(O)c(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791726704	GAQNKIIENZYTGL-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)n1	794567707	WZSIIBCLKJSAPB-UHFFFAOYSA-N	313.788	3.707	50	20	DHGD	
COC(=O)N(C)N=C1CC2(CCCCC2)Oc2ccccc21	794958270	SXOHVJJKEQJVPZ-UHFFFAOYSA-N	302.374	3.574	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cccc2c1CCCC2)c1cccnc1	797948599	ATXZYHHZIGYLQM-IBGZPJMESA-N	323.440	3.843	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)c(Cl)[nH]1	799761506	HWEHFFKYEHVBBB-UHFFFAOYSA-N	312.200	3.949	50	20	DHGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNC(=O)CC(C)(C)C)c1	803181846	MSORRHGLLLAMRS-AWEZNQCLSA-N	318.461	3.572	50	20	DHGD	
CCCN(NC(=O)[C@@H](C)Cc1ccccc1)C(=O)OC(C)(C)C	804595773	KHLXWTGXLNDCFR-AWEZNQCLSA-N	320.433	3.544	50	20	DHGD	
CC[C@H]1Cc2ccccc2CN1C(=O)NCCSSC	807234862	YKOUJBAKZBKNNA-AWEZNQCLSA-N	310.488	3.544	50	20	DHGD	
CC1(C)Cc2cccc(/C=C(/C#N)c3ccc([N+](=O)[O-])cn3)c2O1	812242433	QHMJJGUDUFQYAE-ZSOIEALJSA-N	321.336	3.767	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)C2CCCCCC2)cc1C	812719695	NTMNDZSHBQHHCO-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)CSc2ccccc2O)CC1	814970944	KHTUIQOTWNZQTR-UHFFFAOYSA-N	320.458	3.947	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc(C(F)(F)F)cc1	817009569	QJTURUAKONGROY-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cc1	825731694	JEFPRTBQLZUQKC-QZTJIDSGSA-N	310.397	3.722	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2csc(NC3CC3)n2)cc1	837053980	ZBTJESOHKSTKRA-UHFFFAOYSA-N	316.430	3.598	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)CCc1ccccc1	843539947	OGZUEAFWTIVZOS-MRXNPFEDSA-N	316.445	3.539	50	20	DHGD	
Cc1cccc(C2(C(=O)N(C)CC(Cl)Cl)CCC2)c1	848081279	QRHMECDUKSXFJX-UHFFFAOYSA-N	300.229	3.679	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2cccnc2Cl)cc1C	854929279	AWKNDYBGDGFUAB-UONOGXRCSA-N	315.804	3.599	50	20	DHGD	
CCCC1(C(=O)NNc2nc3ccc(Cl)cc3s2)CC1	856234270	RWACDIMNGLASFA-UHFFFAOYSA-N	309.822	3.973	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1	915973515	OXHOFIYZQXZKIJ-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccc2)c(C)n1Cc1ccco1	916249247	WYBRVFJXHIEINW-UHFFFAOYSA-N	321.380	3.510	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1cn(C)nc1C(C)C	931246103	FPDISORJQAULBI-UHFFFAOYSA-N	321.812	3.654	50	20	DHGD	
CCCN(C(=O)CCl)[C@@H](c1ccc(F)cc1)c1cccnc1	1336912674	ZHRPPDCFNLJWMT-KRWDZBQOSA-N	320.795	3.788	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(OC)c1OC(C)C	7208273	XHEKEKKVVDZHDA-RVDMUPIBSA-N	317.385	3.733	50	20	DHGD	
O=C(CC[C@H]1CCCO1)NN(Cc1ccccc1)c1ccccc1	32256649	ZTJZQUKWMIODPB-LJQANCHMSA-N	324.424	3.684	50	20	DHGD	
Cc1cccc(NC(=O)c2c(C)nn(CCCl)c2C)c1C	114111518	MHGNAAHUZDLMHL-UHFFFAOYSA-N	305.809	3.608	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2cc(C)ccc2F)c1	150776537	SMABRULXMSMWQY-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3cc(F)ccc3o2)c1	150809335	KXSFYZUSSJWOBY-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2ccccc2Cl)cc1	158280497	LERYOWKZLDMANX-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
N#CCc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	177825225	UGEZLESMDNTNTF-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
CC(C)Cn1ccc2cc(NC(=O)NNc3ccncc3)ccc21	183078858	MFGYGILWWMRGJI-UHFFFAOYSA-N	323.400	3.841	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(F)cc1F	189478273	PGVPCVVIJCTSRF-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
CO[C@@H]1CCC[C@H]1OC(=O)CCCC[C@H]1CCSS1	246689219	WLJCCEGYXGFYTI-YNEHKIRRSA-N	304.477	3.811	50	20	DHGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1cccs1	254841845	TUSJMSKRPNVCBE-UHFFFAOYSA-N	324.405	3.821	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1ccc(C#N)o1	255037243	WMVKKIFDVFUJOO-XFFZJAGNSA-N	311.728	3.659	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2F)cnn1C1CCCCC1	272926445	OZAKFINRHGJDSX-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1-c1csc(C)n1	490665210	YVPYGVYOMREWSS-XFXZXTDPSA-N	313.382	3.501	50	20	DHGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	588598299	QVVXXDGRYAFZRR-WCIBSUBMSA-N	315.323	3.775	50	20	DHGD	
C=CCOc1ccc(C=NNC(=O)c2ccccc2)cc1Cl	727251789	GVJJLYJSEWMPTF-UHFFFAOYSA-N	314.772	3.669	50	20	DHGD	
C[C@@H](CCNC(=O)NNc1c(F)cccc1F)c1ccccc1	735754773	BRPYJQLJKNKCCP-LBPRGKRZSA-N	319.355	3.785	50	20	DHGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNc1c(F)cccc1F	735756836	HWZNRRFCVKLVAS-OAHLLOKOSA-N	317.339	3.587	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNC(=O)c2ccccc2C)cc1	737772810	LBPXYXVXBFSPQC-HNNXBMFYSA-N	324.424	3.512	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2coc3ccccc23)c1	746558547	PTVFARJUVUKTIZ-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1ccc(Cl)c(F)c1	746697505	XXOPTOIREUIXCE-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
CSCc1ccc(C(=O)NNc2cccc3cnccc23)cc1	748767640	UTFCGDBUHMENCM-UHFFFAOYSA-N	323.421	3.855	50	20	DHGD	
CCc1cccc2c(C=NNC(=O)CCc3ccccc3)c[nH]c12	749745903	VJSOFGLQDISISN-UHFFFAOYSA-N	319.408	3.813	50	20	DHGD	
Cc1ccc2c(c1)N(C(=O)/C(C#N)=C/c1ccc(F)cc1)CC2	751739210	IAZFUUJMTKPQGX-LFIBNONCSA-N	306.340	3.630	50	20	DHGD	
CC1(C)CCC[C@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	752713770	UQJYKNOGVYKRQT-LBPRGKRZSA-N	303.362	3.527	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)c1cccc(OC(F)F)c1	752733799	LBQPVAQKKDTQTI-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[C@H]2C1	755382577	WXQPIZWYUDYKPO-MELADBBJSA-N	317.389	3.644	50	20	DHGD	
CCCCCCOc1ccc(C(=O)NN=C(C)[C@@H](C)OC)cc1	763141638	UNKAXYNWXHATNT-OAHLLOKOSA-N	320.433	3.786	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)c(C)c2)cc1	766288778	LFAVYVYNOMRBIB-WQRHYEAKSA-N	315.376	3.975	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(F)c(F)cc3F)nc12	767727529	ADHLKFMXJNAOPK-ONNFQVAWSA-N	314.270	3.748	50	20	DHGD	
CC(Cc1ccncc1)=NNC(=O)Nc1ccc(C)cc1Cl	767786352	WKUUSVURXNAHKC-UHFFFAOYSA-N	316.792	3.784	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	768249949	GOMXJDLNAHAWOA-UHFFFAOYSA-N	313.357	3.694	50	20	DHGD	
Cc1cc(F)ccc1NC(=O)NNc1nc2ccccc2s1	769932985	SIAZWIUFLDVBRZ-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1	770197948	SAQKFLXQZIYKJI-NEPJUHHUSA-N	322.742	3.865	50	20	DHGD	
C[C@H](CBr)CN(Cc1ccccc1)CC(F)F	770654545	DGOMFAWAVKPXFI-LLVKDONJSA-N	306.194	3.785	50	20	DHGD	
Cc1cc(C)cc(-n2nc(C(=O)NNc3ccccc3)cc2C)c1	777423242	WEFRXGHBBPLROL-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CCOC1(C)CCN(CCO[Si](C)(C)C(C)(C)C)CC1	794636074	XMKJUXNGRQPEQG-UHFFFAOYSA-N	301.547	3.899	50	20	DHGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2ccc(O)cc2)C1	799104288	ONYLNYMYSNCDSN-HNNXBMFYSA-N	323.396	3.539	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(OC(F)F)cc2)c(C)s1	806553630	UNXUDZSWRZLKGF-XYOKQWHBSA-N	321.352	3.933	50	20	DHGD	
CC1(C)CC[C@H]1NC(=O)NNc1cc(C(F)(F)F)ccc1F	807574282	AASRYBCXHFQKNP-LLVKDONJSA-N	319.302	3.659	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cn1	812245467	SADIRBADHJGYFZ-YHYXMXQVSA-N	303.680	3.846	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(N(C)C)c1	812769761	VDBRNVDKUGWQJC-UHFFFAOYSA-N	311.429	3.941	50	20	DHGD	
C[C@H](CCNC(=O)NNc1cccc(Cl)n1)c1ccccc1	814294511	RJVZXGHSJRJSIP-GFCCVEGCSA-N	318.808	3.555	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](C#N)C3)cc2C1	814759524	GAVNGJGFAGSLSG-NWDGAFQWSA-N	315.442	3.672	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)c1cccnc1	814997007	ZKZRQSCLWRPHPN-UHFFFAOYSA-N	323.183	3.934	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747817	XNBUIPJHLYNNMM-SECBINFHSA-N	302.205	3.658	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(F)cncc1F	823076787	LFFNAWYRJAXCCC-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCCC23CCC3)c2ccccc2n1	834918896	AAMWFQMSQDCBJU-UHFFFAOYSA-N	307.397	3.983	50	20	DHGD	
C[C@H](CSc1ccccc1)C(=O)N(C)CC(Cl)Cl	848081922	QVUCYTNYSFYONF-SNVBAGLBSA-N	306.258	3.677	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1	853897707	PPPCYVBJSYFCRO-ZDUSSCGKSA-N	323.469	3.590	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCC[C@@H](C(F)(F)F)C1	856094969	BUITVAZMHPXLGB-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
CCC(CC)N(C(=O)NC[C@]1(C)C[C@@H]1Br)C1CC1	856954639	IGGAHAXZSQCTOH-JSGCOSHPSA-N	317.271	3.523	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCc1cnsc1	861204636	MAZFFUQDOQPWEL-NSHDSACASA-N	303.474	3.900	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)C(C)C)c1C	915166976	SPKWGFYBGFUQGN-GZQZNAIASA-N	315.461	3.925	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cccc(Cl)c1	916278259	LBLRDUXKKYQQQL-BEAPCOKYSA-N	302.805	3.882	50	20	DHGD	
C[C@@H]1CCC[C@@H](C)N1NC(=O)CCCC[C@@H]1CCSS1	920425697	SPIZBXMVTPWJRP-MGPQQGTHSA-N	316.536	3.995	50	20	DHGD	
CC(C)n1cc([C@@H](C)NC(=O)c2cccc(CCl)c2)cn1	1337076055	JIQUQVSLKIUGFJ-GFCCVEGCSA-N	305.809	3.694	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C12CCC(CC1)CC2	1346993542	RKLJGDYBMHOJFH-UHFFFAOYSA-N	313.323	3.514	50	20	DHGD	
CC(C)c1nc(CNC[C@]2(C)C[C@@H]2Br)cs1	1347920211	SGCJSFGVHARSSK-JQWIXIFHSA-N	303.269	3.530	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)c1C	1777443706	KJGCHRGGKYDHLO-OQLLNIDSSA-N	323.323	3.931	50	20	DHGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)Nc1nccs1	5070358	ZFTUNCPDPNPQJK-XNTDXEJSSA-N	305.362	3.842	50	20	DHGD	
CC(C)CCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	28618405	CSTIZAMTPLKSDM-UHFFFAOYSA-N	322.474	3.604	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1ccc(Cl)c(F)c1	92425598	JQIRDOYACSOFCP-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ncc(Cl)cc2Cl)C1	132897009	AGNYUPIDEWKCMM-BDAKNGLRSA-N	302.205	3.658	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1cc(C)ccc1F	150819289	JECYTFPHILMTSC-ACCUITESSA-N	314.360	3.689	50	20	DHGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1ccccc1F	153200362	RGGDCJKWRDRXTH-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCO1	153234677	FYRDSBHNUULMNB-AWEZNQCLSA-N	304.415	3.502	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(OC(F)F)cc2)c(C)c1	155292642	VTBITFREFAJABX-UHFFFAOYSA-N	320.339	3.970	50	20	DHGD	
CC[C@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1	156001847	JDPJENGPVOPPGR-LBPRGKRZSA-N	323.318	3.737	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(Cl)cc2Cl)CCCO1	161057488	AUCACBUHROJZTC-UHFFFAOYSA-N	301.173	3.521	50	20	DHGD	
CC(C)(CCC(=O)NNc1cccc(C#N)c1)c1ccccc1	161082316	JQVBGLJCGQVKEL-UHFFFAOYSA-N	307.397	3.759	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	173014895	MYALXDYOXHOSFP-GZTJUZNOSA-N	306.365	3.687	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1F	193347640	FUJHUPNXXJMFGY-KPKJPENVSA-N	301.342	3.994	50	20	DHGD	
CC(C)(C)c1nc(C(=O)NNc2ccc(Cl)cc2)cs1	269607924	CXAOIVNFGUHUBF-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
C[C@@H](Sc1ccccc1Cl)C(=O)N1CC=C(C#N)CC1	270920202	CTBSEYNFRGVZNK-LLVKDONJSA-N	306.818	3.503	50	20	DHGD	
CN(N=Cc1cc(F)cc2cccnc12)C(=O)OC(C)(C)C	493407023	UPYAQNHAOVUPNE-UHFFFAOYSA-N	303.337	3.575	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(F)c(F)c1F	728714288	RREZUYVGDLALIY-ZJUUUORDSA-N	300.324	3.763	50	20	DHGD	
CC(C)(C(=O)NN=Cc1c(F)cccc1Cl)c1ccccc1	731152761	SUTSBPHBVZZGLH-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)OCc2ccccc2)c(C)c1	743762931	PMUVCRCEDMMNQH-MRXNPFEDSA-N	312.413	3.660	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc2c(F)cccc2s1	743818917	SHSGWTNDIJJNGZ-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
O=C(NN=Cc1coc2ccccc12)c1c[nH]c2ccccc12	746558437	LNKGALPBULUKOU-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccc(Cl)c(F)c1	746699978	ONZYRSFJLQSNSE-QMTHXVAHSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c1	748414920	YULYREUYODYXFO-OAHLLOKOSA-N	324.424	3.703	50	20	DHGD	
CC(C)C(=O)NN=C1CCCc2cc(SC(F)F)ccc21	750922825	OTFLWUMDSIPLRE-UHFFFAOYSA-N	312.385	3.814	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	751513459	PGPZQYPWHZYQDO-OQLLNIDSSA-N	324.336	3.985	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CC2(CCC2)Oc2ccccc21	757830390	NDFSUECBVYTYJZ-MRXNPFEDSA-N	323.396	3.759	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Cl)cn1	763610682	METLGHGVURPWBW-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ncnc3ccsc23)CCCC1	766671162	GOPIMBYNXZSTHE-UHFFFAOYSA-N	318.446	3.741	50	20	DHGD	
CC(CCC1CC1)=NNC(=O)c1cccc(Br)c1	768776417	NFUHOSMYNFOQHF-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
Cn1c(/C(C#N)=C/c2nc3c(s2)CCCC3)nc2ccccc21	776266843	TUDLWLGJLPDPDS-ZRDIBKRKSA-N	320.421	3.973	50	20	DHGD	
C[C@H](CBr)CN1CCC(c2ccsc2)CC1	776882635	OZJAMTIQFNVANJ-LLVKDONJSA-N	302.281	3.959	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1sc(-c2ccc(C)cc2)nc1C	782234689	ISPNSVYXZNIBPC-UHFFFAOYSA-N	323.368	3.532	50	20	DHGD	
COC(=O)N(C)N=Cc1cc(Cl)ccc1OC1CCCC1	794959603	LCFILXXWMHDUQS-UHFFFAOYSA-N	310.781	3.694	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H]1Cc2ccc(F)cc21	796556649	JAAFWBYUTWOPME-AWEZNQCLSA-N	315.300	3.596	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccnn1-c1ccccc1	799761234	ZPANKVLTUSORHP-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
C/C=C(\CC)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802036819	GNRSZTGJCZHANQ-LZWSPWQCSA-N	323.396	3.863	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCC(C)(C)CCC#N	807592168	VHIDJDXQLWHDER-UHFFFAOYSA-N	302.422	3.514	50	20	DHGD	
ClCCCOc1ccc(CN2CCC[C@@H]2[C@H]2CCCO2)cc1	811503795	DBGIWUMESZXNGJ-QZTJIDSGSA-N	323.864	3.838	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)nsc1C	816782055	IHSFDHRPYMSWKH-UHFFFAOYSA-N	303.431	3.949	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(C3CC3)CC2)cc1	816905539	FEPYMWAYHZDYQK-AQTBWJFISA-N	324.424	3.641	50	20	DHGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1ccccc1Br	827175608	BMXCTOUEZADEQM-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1cccc(C2CC2)c1	836504283	LOODDGWDOACNNG-ZDUSSCGKSA-N	310.401	3.655	50	20	DHGD	
CCc1nc(CNC(=O)CCCC[C@H]2CCSS2)co1	836986195	XRGFISRGCHFUTC-LBPRGKRZSA-N	314.476	3.567	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)cc1	837059514	VFNZQICCZRRGGT-BBRMVZONSA-N	316.445	3.895	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(Cc2cccc(F)c2)CCC1	848084142	ISTOGQPNMONBDC-UHFFFAOYSA-N	318.219	3.801	50	20	DHGD	
COc1ccc([C@H](C)NC[C@]2(C)C[C@@H]2Br)c(F)c1	857082606	OZWWHBRZJPKNKI-HERUPUMHSA-N	316.214	3.658	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(C)c(Cl)c1Cl	857493564	FAQXYUMEHDKOJA-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=CC2CCCCC2)cc1	916338063	PWKIHKKINGWZDD-AWEZNQCLSA-N	318.417	3.535	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1cc(C)oc1C	916345626	JFOUOBVZVYSGTP-UHFFFAOYSA-N	316.426	3.837	50	20	DHGD	
Cc1ccc(C(=O)NN=C2c3ccccc3-c3ccccc32)o1	920970441	JZEYELXYKSQAJV-UHFFFAOYSA-N	302.333	3.751	50	20	DHGD	
O=C(CCl)N[C@H](Cc1ccc(Cl)cc1)c1ccccc1	1116433728	DCFIAFCNAVFVGQ-OAHLLOKOSA-N	308.208	3.979	50	20	DHGD	
O=C(Nc1nccn1Cc1ccccc1)C1CCC(Cl)CC1	1519000324	YRPIFWTYMDKLEJ-UHFFFAOYSA-N	317.820	3.668	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(C(=O)O)c(F)c3)[nH]c12	1777448235	GCOWFFIBRIGWBD-KPKJPENVSA-N	321.311	3.773	50	20	DHGD	
CCC(=O)Nc1ccc(C2(NC(=O)[C@H](Cl)CC)CCC2)cc1	1787669525	YXGGTINJFQTGSG-CQSZACIVSA-N	322.836	3.548	50	20	DHGD	
C[C@H]1Cc2cc(/C=C(\C#N)c3nc4ccccc4n3C)ccc2O1	33505172	UJPPDNPPGYFFRV-XDUBLRSXSA-N	315.376	3.961	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)o1	55041104	QLPFCKBCNCEGBA-MXUOTFPVSA-N	321.332	3.922	50	20	DHGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)Nc1ccccc1F	63275702	SVBXAYKHKBPZGV-XFFZJAGNSA-N	313.357	3.705	50	20	DHGD	
Cc1cccc(NNC(=O)COc2ccccc2C(F)(F)F)c1	73689453	SYMGQYWZRPBUQO-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1ccnc2ccccc12	106923736	QCIQKDXOPAAOPE-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
O=C(CC1CCOCC1)NN(Cc1ccccc1)c1ccccc1	117120267	OWVRECYUCAVXHW-UHFFFAOYSA-N	324.424	3.541	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCOCC2)cc1)C(=O)C1CCCCC1	128928219	XOAWYEWULGYEMZ-NBVRZTHBSA-N	324.424	3.580	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NNc1cc(F)c(F)c(F)c1	129697301	RTJIRSWEMXQEPX-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2ccc(Cl)cc2Cl)O1	151951157	IBWGVEVCYFLRCJ-KOLCDFICSA-N	317.216	3.784	50	20	DHGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NNc1ccccc1	161584482	IJYHABPRYDUNGJ-LBPRGKRZSA-N	304.390	3.697	50	20	DHGD	
CSc1ccsc1C(=O)NNc1cccc2cnccc12	178528123	MPLVFHULZFETHA-UHFFFAOYSA-N	315.423	3.775	50	20	DHGD	
CCCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	194228908	OVEAMIZZBQJYHI-PTNGSMBKSA-N	322.364	3.727	50	20	DHGD	
N#CC(C#N)=CNc1ccc(OC(F)F)c(C(F)(F)F)c1	195163272	UBNUVNBKQSDPCY-UHFFFAOYSA-N	303.190	3.650	50	20	DHGD	
Cc1cc(OC(C)C)ccc1NS(=O)(=O)CCCCCl	228332334	GDLDUZCZAOXUCY-UHFFFAOYSA-N	319.854	3.543	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C(N)=O	255868678	SRYYEQIBCOVWRO-YFHOEESVSA-N	322.311	3.826	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@@H](C)C2)c(C)n1CC(C)C	261386656	KMXYJZBDMFOWHC-BBSXFRJVSA-N	313.445	3.536	50	20	DHGD	
N#CC1=CCN(C(=O)[C@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CC1	270879511	ACKGJCRMDFJSJF-IRFCIJBXSA-N	320.436	3.718	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cnc(C2CCC2)s1)c1ccccc1	490725246	FGNHIGXFBPSCRF-UVTDQMKNSA-N	323.421	3.981	50	20	DHGD	
CO[C@H]1CCCCC1=NNC(=O)c1c(Cl)cccc1Cl	727779277	VFIBEGSJYFISBH-LBPRGKRZSA-N	315.200	3.668	50	20	DHGD	
C[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccco1	743296071	GGWIYYARNOQIKJ-SNVBAGLBSA-N	315.760	3.728	50	20	DHGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	745802341	QWQVUOPTFSAZDH-AAEUAGOBSA-N	310.829	3.720	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccccc1F	746673045	VUYBURDOORVRQO-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c(C)o1	746890236	WGXXYFYHALIYAE-UHFFFAOYSA-N	323.274	3.544	50	20	DHGD	
O=C(NNc1ccccc1F)c1c2c(nc3ccccc13)CCC2	748057401	UZIVDQBFGPWSOO-UHFFFAOYSA-N	321.355	3.620	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(C)ccc3C)n[nH]2)cc1	748416881	HVAZQVFSTJFURU-UHFFFAOYSA-N	320.396	3.759	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(Br)cc1C)C1CC1	748748221	HGRCYLCXRLFWDN-HJWRWDBZSA-N	309.207	3.557	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)[C@H](C)c1nc2ccccc2s1	748777770	DWHLHDFAJDARIN-NSHDSACASA-N	324.409	3.601	50	20	DHGD	
C[C@H](Cc1ccncc1)NC(=O)CCCC[C@@H]1CCSS1	749488873	LUDNNMRIFKTZME-UKRRQHHQSA-N	324.515	3.843	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C1CCCCC1	752462017	FNJOLMUDZHBRMT-RERGGYADSA-N	300.377	3.818	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2cc(Cl)ccc2Cl)s1	752812275	FTKQPPWTUSCTTK-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H]2C[C@H](C)c3c(C)cccc32)nc(C)n1	754247950	OYSBETIGUBFLJT-SWLSCSKDSA-N	324.428	3.526	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c(F)c2)c1C	755404860	RXFSHGFBCIDVGJ-RIYZIHGNSA-N	310.328	3.694	50	20	DHGD	
O=C(NN=C[C@@H]1CCc2ccccc21)c1ccc(Cl)cc1F	755754280	BTTPXKKWDANJRG-LBPRGKRZSA-N	316.763	3.925	50	20	DHGD	
CC(C)Cc1ccc(C=NNC(=O)c2cccc(C#N)c2)cc1	755892639	ACZXWKXWKVGIQF-UHFFFAOYSA-N	305.381	3.521	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1C=NNC(=O)CC(C)C	756824577	VUNPYGNQTKXJEP-UHFFFAOYSA-N	310.397	3.858	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c2cccnc12)C1CCCC1	760242671	NWQNZEXMPZGGIY-UHFFFAOYSA-N	301.777	3.529	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(F)c(F)c(F)c1	768174223	FDTKTHNCDCPDHX-JTQLQIEISA-N	324.140	3.852	50	20	DHGD	
CC1(C)CCCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768183689	DLCCYPRQEDKQGO-NSHDSACASA-N	304.272	3.835	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H]1CCCc2ccccc21	770334951	BMSLARNUNJVMQG-RISCZKNCSA-N	311.219	3.681	50	20	DHGD	
O=C(CCCC(F)(F)F)NNc1ccc(C(F)(F)F)cc1	770811485	LWDNRWRLMYOZOY-UHFFFAOYSA-N	314.229	3.881	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2cc(F)c(F)c(F)c2)ncn1	773176817	PCPPDSHABHEYSG-MBXJOHMKSA-N	307.300	3.680	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)c1	780375526	WUFVXWWIRSMWTA-QPEQYQDCSA-N	304.271	3.834	50	20	DHGD	
Cc1ccc(C(=O)NN=C2C[C@@H](Oc3ccccc3)C2(C)C)o1	789022427	BOJISOYCLCEFJY-MRXNPFEDSA-N	312.369	3.551	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccnn1-c1ccccc1OC	797397878	IAPUXSMOGZWEOW-NTCAYCPXSA-N	323.396	3.793	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(Cl)c1C	805384060	ZWRAXMYFWRMPGO-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2cccs2)CCCCC1	808128840	IUKCEEKBTUXXEH-UHFFFAOYSA-N	306.258	3.870	50	20	DHGD	
CCN(CC)[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)C1	811453856	DCXUQWCFSOCFDA-QGZVFWFLSA-N	324.896	3.610	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)nc1	812766473	QCSWZHYRZJOZFQ-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
O=C(NN=Cc1ncc(Cl)s1)c1cccc2ccccc12	814855944	WMCOBTGEHSEUIV-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	828822219	FHVZZUDFZDYUOZ-JQWIXIFHSA-N	315.339	3.760	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COC[C@@H](C)c2ccccc2)c1	845854876	QERFPVNXMOYURQ-MRXNPFEDSA-N	312.413	3.567	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2nc(C3CC3)no2)C1	852522778	PHZLHCISNJZULT-ZDUSSCGKSA-N	323.513	3.543	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)c1cc(C)nc2ccccc12	853263770	AKUPQFZQSNGBSJ-UHFFFAOYSA-N	308.385	3.589	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1cc(C#N)ccc1Br	855617359	GUBYQQAWBLNADM-KTKRTIGZSA-N	322.206	3.510	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1cc(F)cc(Cl)c1	855619856	FPSXKGXPFWYYJQ-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
C[C@]1(CNC(=O)c2cc3ccccc3s2)C[C@@H]1Br	857402357	JVPVNIRFQCLSNL-GXTWGEPZSA-N	324.243	3.805	50	20	DHGD	
CN(C)CCc1ccccc1NC(=O)C1CCC(Cl)CC1	1263783929	RHCVSJKJDRMOGU-UHFFFAOYSA-N	308.853	3.527	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccccn2c1	74395801	APEXIJSTZFZEEN-UHFFFAOYSA-N	319.286	3.715	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)N3CCCC3)s2)cc1	114991149	WHQSZLGWPVTFNU-GDNBJRDFSA-N	323.421	3.648	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cccc(OC(F)F)c1	120783678	OREZYJYRKGDZEO-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	124684753	VCENPLFMEJMPDA-LLVKDONJSA-N	318.339	3.897	50	20	DHGD	
CC/C(=C/C(=O)NNc1cccc(C#N)c1)c1ccc(C)cc1	152426345	MYCVHSAONCREKI-VBKFSLOCSA-N	305.381	3.803	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1nc(C(F)(F)F)cs1	152958757	RLOTVVJKYABTPG-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(c2cccc(F)c2)CCC1	175391747	PVGSSSFJQKMQTI-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc3ccccc3n2)c(C)c1	181137965	QYKVSAAFUPMHTE-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1	255882010	LIDLVPRZLPPSBN-LCYFTJDESA-N	310.309	3.987	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccccc1OC(F)(F)F	277059775	HSYPCQIDZYVCSF-ZDUSSCGKSA-N	302.296	3.631	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1CCCCC1(F)F	295158351	CWXNRJOWPRBAGS-NSHDSACASA-N	320.286	3.557	50	20	DHGD	
Cc1cccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	490975490	PICXOIOGZDUBBN-QAEAHILHSA-N	320.392	3.793	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(Cl)cs2)c1	491132167	MXMGPSTZGBOTFL-BJMVGYQFSA-N	318.785	3.956	50	20	DHGD	
C/C=C/C(=O)NNc1c(Cl)cc(Br)cc1Cl	742004862	FGQKHGWRIJGMOQ-NSCUHMNNSA-N	324.005	3.775	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC(C)(C)C[C@H]1C	766029447	LIIXSMROWSGCCT-GFCCVEGCSA-N	320.458	3.716	50	20	DHGD	
Cc1cccnc1C(=O)NNc1c(Cl)cc(F)cc1Cl	767409452	LLAQCBJCUAORIM-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1sccc1O	769779460	YIWLUOVLPCYVMF-UHFFFAOYSA-N	318.442	3.510	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(C(F)(F)F)c1)c1cccnc1	770553117	HHFFXEQMHWNRDH-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
C[C@@H](CBr)CN1CCc2c(F)cc(F)cc2[C@H]1C	770657426	PGQZGGOZISHILK-VHSXEESVSA-N	318.205	3.915	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cccc(C(F)(F)F)n2)cc1	775389264	KGTZRTKHALMLMC-UHFFFAOYSA-N	324.306	3.811	50	20	DHGD	
CCCCSCCC(=O)NNc1nc2ccccc2cc1C	777477823	XGWSMOKWYFTLJA-UHFFFAOYSA-N	317.458	3.910	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780604473	MDIRDEVCEFCAPD-ZJUUUORDSA-N	313.323	3.702	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)C2CCCC2)c1	781553862	DIIVLMSJKUERIO-DHDCSXOGSA-N	321.380	3.752	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)C1CCCC1)O[C@H](C)C2	781554313	MIRGFHCLZADNEA-GGNJANJASA-N	311.381	3.685	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1csc(Cl)c1	787154268	JGIBQTVHVQHSLB-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1Cc1ccc(C)cc1	790879977	FPOFITQGXCCRCE-OAHLLOKOSA-N	324.515	3.723	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccccc1	794864225	CFZQCFOJLMFZJP-GHRIWEEISA-N	313.360	3.971	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@H]2CCCF)cc1	800811478	WEZJENBLHOXMBL-HNNXBMFYSA-N	320.408	3.650	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CC[C@H]2C2CCC2)cc1	814754300	OALABHUSSTVDAW-HNNXBMFYSA-N	302.443	3.769	50	20	DHGD	
COc1cc(NNC(=O)[C@H]2CC3CCC2CC3)ccc1Cl	816524773	QROXALBUYHNCMX-XIVSLSHWSA-N	308.809	3.618	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2c(C)oc3ccccc23)cc1	817909242	YRSWVXHWMAJQHZ-UHFFFAOYSA-N	324.380	3.826	50	20	DHGD	
N#C/C(=C\c1ccc2oncc2c1)C(=O)Nc1ccc(F)cc1	821026901	AHBQMRUIJHEWKX-KPKJPENVSA-N	307.284	3.513	50	20	DHGD	
CC[C@@H]1C[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CCO1	838348593	YVFVEECEHRCDKR-VHSXEESVSA-N	317.216	3.642	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CCOC(C)(C)C2)cc1	838735552	OOPYHBASHVLQMQ-CQSZACIVSA-N	319.449	3.641	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1ccc2ccccc2n1	839382854	ZRWKFYSUYGNVBW-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccnc(Cl)c1	852002470	CWTCOOHPGOQJRU-MKPLZMMCSA-N	303.631	3.559	50	20	DHGD	
Cc1ccc(C(=O)NCCCSC#N)c(Cl)c1Cl	854360526	ZNXGRUZZIIYODL-UHFFFAOYSA-N	303.214	3.636	50	20	DHGD	
CSc1cccc(NC(=O)[C@@]2(C)C[C@@H]2Br)c1	905290281	ZRTPMJIVSOVDTK-JQWIXIFHSA-N	300.221	3.521	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CC=CCC2)C1	912582545	AEXQDGSMYUUIKO-LSDHHAIUSA-N	309.526	3.965	50	20	DHGD	
Cc1cc(C(=O)NN=C[C@H](C#N)C(C)C)c(C)n1-c1ccccc1	1319496987	XTOTYHDXZRNOSW-INIZCTEOSA-N	322.412	3.606	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnc(Cl)c2F)cc1Cl	1319601947	UXFSNDWMBPXGMS-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CC[C@H](C)[C@H](CNC(=O)CCCC[C@@H]1CCSS1)OC	1328028446	ZGCXCPNOPNUYAS-MJBXVCDLSA-N	319.536	3.878	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1	78686074	WDBHQMXTELWYKO-VBIXMBBUSA-N	308.356	3.764	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@H](c2ccccc2F)C1	79319889	PEXCWFPMHLAYPF-VBIXMBBUSA-N	308.356	3.764	50	20	DHGD	
CCC(CC)c1nnc(NC(=O)NNc2ccc(F)cc2)s1	92223914	WFYFJEOLPMZZHC-UHFFFAOYSA-N	323.397	3.729	50	20	DHGD	
O=C(COc1ccccc1-c1ccccc1)NNc1ccccc1	120486858	ANAGGIWAGYROOR-UHFFFAOYSA-N	318.376	3.876	50	20	DHGD	
CCc1ccc(C(=O)NNc2cccc(Br)c2)cc1	127205329	UMMIMQUHJHGVPD-UHFFFAOYSA-N	319.202	3.768	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)[nH]1	128601690	ISUFFKBAKFHIFL-UHFFFAOYSA-N	315.270	3.546	50	20	DHGD	
O=C(NNc1ccccc1F)c1cccc2c3c([nH]c12)CCCC3	153040484	ZLBKIMMMBDGMBN-UHFFFAOYSA-N	323.371	3.943	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2(c3ccc(F)cc3)CCCC2)cc1	155672022	WQPFTBHSZRYNIK-UHFFFAOYSA-N	323.371	3.652	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@@H](C)c2c(C)noc2C)c1	161125966	MYZDRMNGOOSPKP-GFCCVEGCSA-N	301.390	3.545	50	20	DHGD	
Cc1ccc2c(c1)C(=O)/C(=C/c1cnn(CCCl)c1)CC2	179071447	IAPALPKMWAJVLK-OQLLNIDSSA-N	300.789	3.643	50	20	DHGD	
COc1cc(C(=O)NNc2cc(C)cc(C)c2)ccc1Cl	179486953	BLJIWLLOPCQKCA-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CC[C@]1(C)CN(C(=O)CCCC[C@H]2CCSS2)CCO1	188695431	LHGPOYRNOUBAPR-DZGCQCFKSA-N	317.520	3.728	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c(C)c1	194337598	ROTPTHRTPPZBMH-PTNGSMBKSA-N	322.364	3.645	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cccc(C)c2)cc1	213720609	UFSYKYLHVKBGBQ-BOPFTXTBSA-N	307.349	3.654	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C[C@H]1c1c(F)cccc1Cl	289079490	OAWOLJBZRMQEQR-RNFRBKRXSA-N	310.583	3.503	50	20	DHGD	
C[C@H](CBr)CNC1(c2cccc(Cl)c2)CC1	381344050	YIQAYEMRYRXCOI-SNVBAGLBSA-N	302.643	3.950	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)c1	490843006	MZFAWWPTUVVSCU-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
CN(Cc1ccccc1F)C(=O)/C(C#N)=C/c1ccc(F)cc1	490846081	UTCMQJJNVKJPGI-XNTDXEJSSA-N	312.319	3.530	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CSc2ccccc21	490977153	SJJDWZPCBQBGHZ-LRFDDAOPSA-N	324.380	3.696	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cscc1C(F)(F)F	491127130	AICBTKUUTSOHEX-UITAMQMPSA-N	302.321	3.590	50	20	DHGD	
CN(NC(=O)[C@H](OC1CCCC1)c1ccccc1)c1ccccc1	726981642	YBXXSTXIYMCGFN-LJQANCHMSA-N	324.424	3.855	50	20	DHGD	
N#CC(C#N)=CNc1nc(-c2ccccc2OC(F)F)cs1	727720226	ITLARYSAAYUIEX-UHFFFAOYSA-N	318.308	3.754	50	20	DHGD	
O=C(NNc1ccccc1Cl)NC1CC(c2ccccc2)C1	728399006	JBFJTCOEFUNYFP-UHFFFAOYSA-N	315.804	3.912	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1cccc(Br)c1	728430833	HBJJBLZZHUOBTC-UHFFFAOYSA-N	311.223	3.726	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1[nH]c2ccccc2c1Cl	735694391	NTPCROHDXKEURG-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(OC)c1	741474925	UFKCXPOEUABIRG-NCPSJORJSA-N	323.396	3.998	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1C#N	741840592	ABZJBAJKWLNJFM-OQLLNIDSSA-N	314.348	3.816	50	20	DHGD	
Cn1c(/C(C#N)=C\c2nc(Cl)cs2)nc2ccccc21	759073413	NFHYCXCWASGEIX-TWGQIWQCSA-N	300.774	3.747	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)O[C@@H](C#N)C1CCCCC1	766747370	XUZITBUQDIJGRF-NWDGAFQWSA-N	316.239	3.812	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CC23CCCCC3)cc1	771282218	JUROCXWDKIJYKW-FXFXYLOPSA-N	324.424	3.831	50	20	DHGD	
CCSCC[C@H](C)NC(=O)NNc1c(F)cccc1Cl	771330404	HKQPNIZHMUGLSF-VIFPVBQESA-N	319.833	3.637	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)cn1	775243819	RUNPLCUFEOXBAR-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	775730461	CNOAQFBBLRRLEY-WBVHZDCISA-N	318.461	3.934	50	20	DHGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787313604	KUNSVNOQYJHBGP-KFLIEBISSA-N	312.413	3.774	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1C#N	799705455	WPPCKPCUOJMOBO-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)Cc1nc(-c2ccccc2)cs1	807961024	YPIFJLDNPLIXKO-LBPRGKRZSA-N	313.426	3.645	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC[C@H]1CCCCO1	813132017	GTVLQBSRANBTOQ-OAHLLOKOSA-N	319.449	3.704	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C2CCC[C@H](C#N)C2)c1	814991201	ATBMSOYYGFADJJ-JTQLQIEISA-N	320.780	3.540	50	20	DHGD	
CN(NC(=O)CCCc1cc(Cl)sc1Cl)C1CC1	819649438	PSHHAMMRKLZFTO-UHFFFAOYSA-N	307.246	3.503	50	20	DHGD	
Cc1cc(C)n(CCCC(=O)NNc2ccc(C(C)C)cc2)n1	821938792	HECOHXDBPGQCLZ-UHFFFAOYSA-N	314.433	3.547	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@@H]1CCCC[C@@H]1c1ccccc1	831943921	LPMHOOPWHSTYKK-HUUCEWRRSA-N	313.376	3.638	50	20	DHGD	
CCC[C@@H](CNC(=O)CCCC[C@H]1CCSS1)OC	833372315	QDQHTGMRPZNELX-STQMWFEESA-N	305.509	3.632	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@H]1CCCCC1(F)F	837563174	WHQGCKWIXDBZRN-RNQWEJQRSA-N	321.323	3.668	50	20	DHGD	
N#CCCCCCC(=O)NNc1cccc(Cl)c1Cl	838345893	SVJRVRHQAXSCOV-UHFFFAOYSA-N	300.189	3.911	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)o2)c2c(c1)C[C@@H](C)O2	840723308	VSPFFSLMLYWEQT-IWTIEGKHSA-N	323.348	3.710	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OC[C@H]2CC2(Cl)Cl)cc1	844266108	KPFANURGDCWDIS-MVXISAMASA-N	310.180	3.639	50	20	DHGD	
CCC(=O)C1(C(=O)NNc2ccccc2Oc2ccccc2)CC1	846460925	GYFWWUNQRMFPOK-UHFFFAOYSA-N	324.380	3.681	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(Cl)cn1	857081810	IUCOBUPEUNYOHE-KPXOXKRLSA-N	303.631	3.559	50	20	DHGD	
C[C@@]1(C(=O)NNc2cccc(C(F)(F)F)c2)C[C@H]2CC[C@H]1C2	860312476	QZGQGJIIPYIWOL-ZIBATOQPSA-N	312.335	3.975	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(F)c1Cl)C(=O)NC1CCCC1	863180790	AEZSAUGJQNNYSP-VQHVLOKHSA-N	310.731	3.584	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnn(C3CCC3)c2)c1C	899339465	XZKITKHRKBJMPS-CXUHLZMHSA-N	320.396	3.771	50	20	DHGD	
CSc1cccc(N(C)C(=O)[C@@]2(C)C[C@H]2Br)c1	906504507	IJFVBAOUAYCQHI-YPMHNXCESA-N	314.248	3.545	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(SC2CCCC2)cc1	914693271	SAQRLWFOXJWSLA-UHFFFAOYSA-N	302.443	3.972	50	20	DHGD	
Cc1ccccc1C=NNC(=O)Cc1ccc2ccccc2c1	915977163	VSYFJXWATDLOJR-UHFFFAOYSA-N	302.377	3.841	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1O	916131469	HVISXCSLFYWTPY-ZROIWOOFSA-N	319.320	3.515	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1	916279002	ITPHGCZJGTWSFV-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
Cc1csc([C@H](C)NC(=O)NNc2ccc(Cl)c(C)c2)n1	916492944	FTMVBBOMWRBSPL-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
CCCn1cccc1/C=C(/C#N)C(=O)Nc1ccc(OCC)cc1	918183946	DZGQMKMPIAQKIQ-SQFISAMPSA-N	323.396	3.842	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccsc1C(F)F	924249350	DTHZXJUBAYGEMJ-ZCFIWIBFSA-N	313.163	3.874	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(Cl)c(C)c2)c1C	928341822	IDFDIPCZQZJYIJ-UHFFFAOYSA-N	319.792	3.553	50	20	DHGD	
CCc1ccc([C@@H](NC=C(C#N)C#N)c2cccc(F)c2)cc1	1115817670	ZTNIZKDPEBBJDS-LJQANCHMSA-N	305.356	3.998	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)c1nc(N)c2ccccc2n1	1318120091	FEQDRXXQFISQSR-UKTHLTGXSA-N	304.328	3.724	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2)c1ccccc1	1319113511	UBTZDFYNLFTOGS-NPRIEWAGSA-N	316.404	3.960	50	20	DHGD	
CCC(=NNC(=O)C1CCOCC1)C12CC3CC(CC(C3)C1)C2	1331993603	DULOOPVUZRNXLF-UHFFFAOYSA-N	318.461	3.512	50	20	DHGD	
N#Cc1ccc(C2(NC(=O)C3CCC(Cl)CC3)CCC2)cc1	1548727266	VXDXZZJYEQTJHG-UHFFFAOYSA-N	316.832	3.851	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(F)c(C(=O)O)c1	1777465156	OPQNNNLPZPZRGY-JYRVWZFOSA-N	309.296	3.622	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1	27057331	VEMWFPOLEGQFOM-FMIVXFBMSA-N	314.385	3.986	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C)cc2)cc1	33670305	SSJVYPBUJWOIDQ-BOPFTXTBSA-N	307.349	3.654	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)c1c[nH]c2cc(F)ccc12	44027072	JBVWUKGMPGVCHO-KPKJPENVSA-N	306.296	3.802	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc2c1OCO2	59269556	CKHNYDMVGBPQTQ-OQLLNIDSSA-N	320.348	3.578	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1csc2ccccc12	114884009	BQUNCUPCKXVDFW-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H](c1ccc(F)cc1)C1CCC1	114958667	OXVGHBNVMHAALD-QGZVFWFLSA-N	313.376	3.993	50	20	DHGD	
N#C/C(=C\c1cnc2ccccn12)C(=O)c1cc2ccccc2o1	119123433	PVJXVKXVGPYNCL-NTEUORMPSA-N	313.316	3.870	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc2cc[nH]c12	123018008	HSUQZGRDSHBHQT-UHFFFAOYSA-N	317.295	3.526	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1	123489185	JVGSQVOGKNZPOE-XNTDXEJSSA-N	323.421	3.842	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)nc(Cl)c2)c1	126635059	YBEXUAYGRHLQLD-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
COc1ccc(SCC(=O)NNc2ccccc2Cl)cc1	126979411	LNDFGWNGKHCKFU-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
Cc1cc(C(=O)NNc2ncc(Cl)cc2Cl)c(C)s1	132547767	FBDIGNRCLDUJPA-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3cccc(C#N)c3)oc12	152744000	LQGVBICHTSHRIO-UHFFFAOYSA-N	319.364	3.987	50	20	DHGD	
C[C@@H](CBr)CN(C)Cc1cc(F)c(F)c(F)c1	152810997	NIFNNWHECYYBDT-QMMMGPOBSA-N	310.157	3.567	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccc(C#N)cc1	155247082	BJANBYPBBYOGGZ-SFHVURJKSA-N	307.397	3.516	50	20	DHGD	
CC[C@H](C(=O)Oc1ccc([N+](=O)[O-])cc1OC)c1ccccc1	156238362	YAUWDCTUDOWVJU-AWEZNQCLSA-N	315.325	3.703	50	20	DHGD	
CCSc1ccc(Cl)cc1NC(=O)NNc1ccccn1	180692854	VEBCYXOFIGAPDL-UHFFFAOYSA-N	322.821	3.996	50	20	DHGD	
CCOC1CC(CC(=O)NNc2ccc(C(C)(C)C)cc2)C1	191006100	ZHKOTQOGNXUWFL-UHFFFAOYSA-N	304.434	3.632	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)cc(F)c1	194535319	YIBCJYPGZBCOLZ-LFYBBSHMSA-N	314.247	3.663	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1F	195502932	JCVBQQSAENAAFJ-XYOKQWHBSA-N	301.342	3.994	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(C#N)o1	255063669	ZNUUTKNEIDCJFN-WQLSENKSSA-N	301.305	3.731	50	20	DHGD	
Cc1cccc2[nH]c(/C(C#N)=C/c3cnn(C(C)(C)C)c3)nc12	265405277	VMXRHEWGRBDWHF-RIYZIHGNSA-N	305.385	3.887	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(COC(C)C)cc2)c1	298656167	GQYLFTCIWMQIOW-UHFFFAOYSA-N	312.413	3.985	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2nc(Cl)cs2)c(C)c1	490783523	QVESZDHBENEREC-IZZDOVSWSA-N	317.801	3.959	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cc(C(F)(F)F)c1)C(=O)NC1CC1	490909473	OBDLMBACSUWHHQ-OQFOIZHKSA-N	314.694	3.544	50	20	DHGD	
CSc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	491084185	NJZBEMWSSWYAHL-GXDHUFHOSA-N	324.405	3.968	50	20	DHGD	
CSCc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	491131317	KRSRBFNIRUOXMA-OQLLNIDSSA-N	324.405	3.801	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)Cn2ccc3ccccc32)cc1C	729638591	SSCKHXBDWPBKMC-UHFFFAOYSA-N	319.408	3.717	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@H]1CCCc2ccccc21	734248416	MJHYGICJLCNGTJ-AWEZNQCLSA-N	323.421	3.860	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1nccc2ccccc12	734249842	JCTJTEPQWIJBHI-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
CCCCCC[C@H]1CCCC1=NNC(=O)C(=O)NC(CC)CC	740763022	UHYCTGDZUKIBFM-AWEZNQCLSA-N	323.481	3.534	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCSc2ccccc21	743455614	PELUDBQGXMOTEH-LLVKDONJSA-N	320.364	3.688	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)C1CCCCC1	746766531	FMJDJNUAYIZSSE-SECBINFHSA-N	315.339	3.699	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)CCOc2ccccc2)s1	747051721	SCLUEWMPPVOQAO-UHFFFAOYSA-N	316.426	3.620	50	20	DHGD	
CC(C)(C)C1CCC(CC(=O)NNc2nccnc2Cl)CC1	768065298	LBVZCVYNUGOHAI-UHFFFAOYSA-N	324.856	3.816	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1scnc1C(C)(C)C	770391340	KXIALDIHGVDYIV-QMMMGPOBSA-N	320.252	3.628	50	20	DHGD	
CCN(Cc1c(F)cccc1F)C[C@H](C)CBr	770648077	AHBWHDDNIFIXEB-SNVBAGLBSA-N	306.194	3.818	50	20	DHGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)c1c[nH]c2ccccc12	781574957	FXQCOXWKPSGBEJ-UHFFFAOYSA-N	321.355	3.970	50	20	DHGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)Cc2ccccc21	785043056	HYGGOYLAEFJFFD-XGHPXPSOSA-N	320.367	3.879	50	20	DHGD	
CCC[C@@H]1[C@H](C)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	787394053	CYNOXHPIBONYJE-AWWQTPIYSA-N	312.413	3.726	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Cc1ccccc1Cl	791099813	LFERTCYMERKBIN-JTQLQIEISA-N	303.880	3.646	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1F	794782072	PCPFNPLGJIKECF-UHFFFAOYSA-N	323.327	3.635	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc2n[nH]cc2c1)c1ccccc1	794908338	GXACGGAYXCQTGU-KRWDZBQOSA-N	320.396	3.597	50	20	DHGD	
CC(C)SCCNC(=O)NNc1cc(Cl)ccc1Cl	807573111	BBGOTMOVVXZKHR-UHFFFAOYSA-N	322.261	3.761	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@H](CO)c1ccccc1	808718864	XIINDDULGVQTGS-MRXNPFEDSA-N	309.526	3.674	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C2/COc3ccc(F)cc32)cc1C	809160345	NELYUMILAQVBRB-MSUUIHNZSA-N	307.324	3.995	50	20	DHGD	
O=C(NN=c1cc[nH]cc1Cl)c1ccc(C2CCCC2)cc1	810512262	OZYJJANQWDGZIX-UHFFFAOYSA-N	315.804	3.571	50	20	DHGD	
CC(C)OC1CC(=NNC(=O)c2ccc(C(C)(C)C)cc2)C1	814741713	LXXJWMGFBVUQNA-UHFFFAOYSA-N	302.418	3.657	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1cccc(Cl)n1	817011903	OEWHMZCIICARMD-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	827181074	UVHVYXZRFCNTJY-SMDDNHRTSA-N	312.360	3.948	50	20	DHGD	
CC(C(=O)NNC(=S)Nc1ccccc1C(C)C)=C1CCC1	831439142	YHWBVQRUKLKSCF-UHFFFAOYSA-N	317.458	3.628	50	20	DHGD	
CN(NC(=O)c1cc2c(F)cccc2s1)C(=O)OC(C)(C)C	838363599	DLRBPCGCEQOXBA-UHFFFAOYSA-N	324.377	3.552	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)n(C)n1	841484902	DTFLXPORXNDRJZ-PTNGSMBKSA-N	307.397	3.816	50	20	DHGD	
COC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	853004333	BRJCQQGGANOZSU-RQNDZEIBSA-N	313.397	3.767	50	20	DHGD	
COc1ccc([C@H](C)NC[C@@]2(C)C[C@H]2Br)c(F)c1	857082604	OZWWHBRZJPKNKI-CUOATXAZSA-N	316.214	3.658	50	20	DHGD	
Cc1ccc([C@H](C)NC[C@@]2(C)C[C@@H]2Br)c(O)c1C	857083769	ZTQWKYQUNFGRSS-CORIIIEPSA-N	312.251	3.833	50	20	DHGD	
CSSCCNC(=O)c1cc(-c2ccccc2)oc1C	861577133	DYIQLAMSDQIQHB-UHFFFAOYSA-N	307.440	3.996	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCc1cnccn1	878779193	XZPKKXIDRHWMBS-INIZCTEOSA-N	321.541	3.505	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C[C@H](C)c2ccccc2)c1C	916336632	KWRXNMGJASOWMQ-RDJZCZTQSA-N	324.424	3.976	50	20	DHGD	
CCCCCCCOC(=O)/C(C#N)=C/c1cc(C#N)n(C)c1C	918493453	VRONYFKJMYQQRX-MHWRWJLKSA-N	313.401	3.626	50	20	DHGD	
CC[C@H](NC(=O)c1cccc(CCl)c1)[C@@H](O)c1ccccc1	1262638197	QPVXEQCQGUMPJX-IRXDYDNUSA-N	317.816	3.667	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2ccccc2n1CC	1321233765	QVSZSBYYUFSFDX-UHFFFAOYSA-N	322.202	3.769	50	20	DHGD	
Cc1cccnc1[C@H](C)NC(=O)NNc1c(C)cccc1Cl	1346474814	MESVGLQAZIOCOC-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
C[C@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(CCl)c1	1347061031	QSHQLNWUDQIYEP-CABZTGNLSA-N	305.727	3.838	50	20	DHGD	
N#C[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1Cl	1548646693	WDLJFUREVROZHM-QIMFLAQGSA-N	311.212	3.818	50	20	DHGD	
Cc1ccc(C2CC2)c(C(=O)NNc2cccc(C(=O)O)c2C)c1	1600394251	IOLUIZXEWSHWHZ-UHFFFAOYSA-N	324.380	3.636	50	20	DHGD	
CC(C)(C)c1csc(C2CCN(C(=O)[C@H](F)Cl)CC2)n1	2088605789	RJVMPXKEYFOJPZ-NSHDSACASA-N	318.845	3.681	50	20	DHGD	
Cc1c(C(=O)NNc2cccnc2Cl)oc2c(C)cccc12	85686420	OPHHQDYPQFMBAE-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(C(F)(F)F)nc1	122208196	FKNGGENXNANCSC-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccnc3C)c[nH]c2c1	171419502	ZQMYAALYKBVMCQ-DHDCSXOGSA-N	301.349	3.970	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	173620930	AYRUCVHNWBIUFZ-MRXNPFEDSA-N	322.330	3.987	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnc3ccc(F)cc3c2)c1	179492516	IJFTWPNGKYLNFI-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	179615153	FMXLLDOCGSIOCA-VZUCSPMQSA-N	304.708	3.874	50	20	DHGD	
C=CCCC[C@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	181111012	JXOLQZGGOZYQSD-NSHDSACASA-N	313.348	3.659	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccnc(Cl)c2F)cc1	272844241	REGHOJBQGSUTMF-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)C[C@H](C)C2CCCCC2)c1	293812675	CHMCSJMEOCECHW-ZDUSSCGKSA-N	317.433	3.695	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1OC(F)F	588394138	FDQOLJYKMZICNI-LCYFTJDESA-N	320.339	3.562	50	20	DHGD	
N#Cc1ccccc1/C=C\C(=O)NNc1c(F)cccc1Cl	588491375	AISDRIBWOJIRTF-HJWRWDBZSA-N	315.735	3.507	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1	588580174	FRSWHHBVNYTCBP-YBEGLDIGSA-N	323.359	3.880	50	20	DHGD	
COCc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	588596870	VGQTZQJOPZKLPD-XNTDXEJSSA-N	310.328	3.518	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	588597389	NADGDBYKZPQFSW-XGICHPGQSA-N	322.755	3.908	50	20	DHGD	
Cc1cccc(C=NNC(=O)Cc2ccc(Cl)cc2)c1C	731151952	WHZOFJUJWHSSJC-UHFFFAOYSA-N	300.789	3.650	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cnnc2ccccc12)c1ccccc1	733810540	ORQJVZMXLSNJTR-AWEZNQCLSA-N	320.396	3.657	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccncc1Cl	747591510	ZBKAFJQUPCVJBD-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OC3CCC3)cc2)c1	748429782	VABXGZZXOAVVBW-UHFFFAOYSA-N	310.397	3.992	50	20	DHGD	
Cc1c(NNC(=O)C[C@H](C)CC(C)(C)C)cccc1[N+](=O)[O-]	748681495	QMIPWRKRHJCTHQ-NSHDSACASA-N	307.394	3.809	50	20	DHGD	
CC(=NNC(=O)CC(C)C)[C@H](C)c1nc2ccccc2s1	748779965	FYPWKBFJMCVBFK-NSHDSACASA-N	303.431	3.938	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1	755468540	VNQJFBABLRVFMB-UHFFFAOYSA-N	306.259	3.703	50	20	DHGD	
CCc1ccc(C(=O)NN=C/C=C/c2ccc(F)cc2F)cc1	758085365	TXBWGOCAEREYGX-XVYPUBKXSA-N	314.335	3.956	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2ncccc2C(F)(F)F)c1	775374062	VGUYEERSOYPTQB-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CCCC(CC)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	776186373	XUPZPEOLRMQGBA-UHFFFAOYSA-N	306.406	3.778	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(F)cccc1F	777477311	IZBRCUBQMQLRNT-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2cc(Cl)ccn2)cc1	778448763	LNQUNTXAOLGFSX-LBPRGKRZSA-N	317.820	3.934	50	20	DHGD	
CC(C)[C@@H](F)C(=O)NN(Cc1ccccc1)c1ccccc1	784008319	GXQQOLMTPLKPFK-QGZVFWFLSA-N	300.377	3.719	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1F)c1cnc2ccccc2n1	790231859	ZFHAHEMGJVWONC-RIYZIHGNSA-N	300.296	3.705	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H](c2ccccc2)CC1	790880481	LKQCJCDMQYJDCV-HNNXBMFYSA-N	324.515	3.977	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1nc(-c2ccccc2)cs1	791312919	UTKNAOATGNKJON-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)[C@@H]1CCC(C)(C)C1	794268580	AOTWXJOQBKOGGE-MNOVXSKESA-N	304.272	3.833	50	20	DHGD	
CC(C)C[C@H]1CCCC(=NNC(=O)c2ccc3c(c2)OCO3)C1	794455690	IOFDLWMTHZCHMO-CYBMUJFWSA-N	316.401	3.737	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(F)cc1	794786809	TVPNUYWYFHZNBC-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
Cn1c(/C(C#N)=C/c2cnc(C(C)(C)C)nc2)nc2ccccc21	806565527	NTGPXRTXHFIAFW-NTEUORMPSA-N	317.396	3.725	50	20	DHGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNc1cccnc1Cl	810494046	MVWYPKLKFSJLSO-BENRWUELSA-N	301.777	3.590	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)c1ccc(Cl)cc1F	814862389	JQFFYMMUQBGDPP-UHFFFAOYSA-N	302.802	3.726	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2ccc(F)cc2Cl)cc1	817879329	HQUHEAXUKWWZMU-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(-c3nn[nH]n3)c2)n1	820197151	GWMLIXVPZMZMCG-NTUHNPAUSA-N	322.397	3.511	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H]1[C@H]1CCCOC1	828905706	REQPNQYBBMQYOU-HOTGVXAUSA-N	313.558	3.899	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	832968074	HIQJRNZWURXFRE-VIFPVBQESA-N	303.328	3.616	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CCCCS1	838348124	VTJOUBZPPHYLMK-JTQLQIEISA-N	305.230	3.722	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(CC)[C@H]2C[C@@H]2C)cc1OC	841611922	CPUJMEJUBKCYSW-JSGCOSHPSA-N	318.417	3.636	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1ccc(OC)c(OC)c1	853260976	APFZNQGRTZLBAB-CYBMUJFWSA-N	316.401	3.556	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NN(CCC)C(=O)OC(C)(C)C	854432076	KXCJNXIKDOSOJL-HNNXBMFYSA-N	304.406	3.583	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2ccccc2OC(C)C)cc1F	856229847	YWXHAEHTQJVZBW-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(OCC#N)cc1	1317698548	MWWYOCSRJBGOPV-VBKFSLOCSA-N	302.333	3.687	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)ccc1C#N	1321182238	VWHSSMOBLSXTOE-CXUHLZMHSA-N	302.333	3.665	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1321228101	DFZVZJDVXQPZJX-AYCSXLNKSA-N	307.397	3.999	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H](C)c1ncccc1C	1528061270	NWYDCFJXLLXUCA-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cnc(-c2ccccc2)s1	47075311	VMTHSUMLVQFPCL-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1ccnc2ccccc12	106924607	XPVOYIVDVBTBLX-UHFFFAOYSA-N	321.380	3.779	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H](c1ccccc1)C(F)(F)F	114932346	SWHTZOIDAVOELR-CYBMUJFWSA-N	309.291	3.616	50	20	DHGD	
Cc1cccc([C@@H](C)NC(=O)NNc2cccc(C#N)c2)c1C	115859227	KVVYVWBZLUDOCB-CQSZACIVSA-N	308.385	3.562	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cn(C)nc2-c2ccncc2)sc1C	125420819	DZJSOEPHTAKBCI-ZSOIEALJSA-N	321.409	3.620	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CC=CC2)c(C)n1CC(C)C	125973796	PPPILIPUWSYRBR-YVLHZVERSA-N	311.429	3.503	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(F)cc1F)c1ccc(F)cc1	127792428	GNMRKQNIVNUPPN-CYBMUJFWSA-N	308.303	3.741	50	20	DHGD	
C[C@H](CBr)CN(C)[C@@H](C)c1ccc(F)c(F)c1	133551024	QTAOMHDMFFUJRC-ZJUUUORDSA-N	306.194	3.989	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(-c2ccc(C)cc2)c1	191766922	NWCJHPSKHUPTLG-LDADJPATSA-N	311.406	3.961	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)c(F)c2)C1	280113768	AXBRIOYUQJFYKB-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CSSCCNC(=O)Nc1ccc2cnn(C(C)C)c2c1	284741422	XVDVZMJTAFGTSN-UHFFFAOYSA-N	324.475	3.750	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)c1ccccc1	295415773	STOXEMWUUSSVMB-ZDUSSCGKSA-N	323.318	3.737	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](CC)CC2CCCC2)cc1	303537088	ITKBYAHCFKNZBG-INIZCTEOSA-N	316.445	3.617	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)o1	490726698	TWOYLLAOKYMQQM-NTEUORMPSA-N	310.353	3.589	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1cccc(F)c1	588598135	BKRDYXLPPNWQIS-QINSGFPZSA-N	317.323	3.801	50	20	DHGD	
CCCCC[C@H](N/C=C(\C#N)C(=O)OCC)c1ccccc1	728015291	MCUQKUGXBRPHMN-ZQHZRZASSA-N	300.402	3.868	50	20	DHGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	728399520	LLXXFZXMWPVKRX-IUODEOHRSA-N	320.393	3.580	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1ccccc1Cl	731319552	DATFELXQVHELEX-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2cc(F)c(F)cc2F)c(C)c1	734660149	LLYMJTAZFISWMP-UHFFFAOYSA-N	323.318	3.547	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cc(-c2ccccc2)[nH]n1	737416792	FUNCFAVQVPHJHC-OAHLLOKOSA-N	322.412	3.763	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(F)cc1)c1ccc(O)cc1	741159602	AERGJNZNNYRXGB-INIZCTEOSA-N	312.344	3.585	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCF)c1C	741448519	LSPXQSFKZQUAMT-LFIBNONCSA-N	306.381	3.715	50	20	DHGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)N(C)C)cc1	745602111	DHDGKSTXRKKLLA-UHFFFAOYSA-N	317.433	3.611	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNc1ccccc1F	748050885	XXWSEWBUSOUVDU-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cccc3cnccc23)cc1C	748769097	BAELDRQZAGWZHO-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
CCC[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752541954	CDIUQKGEHPFSSZ-CNYBTUBUSA-N	300.377	3.771	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1	755586721	MPDLBGLOKFQBRN-UHFFFAOYSA-N	324.277	3.917	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccc(Br)cc1Cl	763345969	NUMBDXVQKDOZDS-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
C[C@@H](CBr)CN(Cc1ccc(F)cc1F)C1CC1	770647399	FXDPJTPOFGNZRR-JTQLQIEISA-N	318.205	3.960	50	20	DHGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)CNc2ccccc2)C1	780194484	KDRXQSKLSAGUOC-FQEVSTJZSA-N	321.424	3.713	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](c2cccc(C)c2)C1	790881852	IHDPXGHJBJJWRL-CQSZACIVSA-N	310.488	3.505	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc2cc(O)ccc2c1	795410186	CAOMHURNSAXQEC-UHFFFAOYSA-N	321.170	3.653	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/C=C1\N(C)c2ccccc2C1(C)C	798179023	FFUNQGRXSVYKSN-APPSXPISSA-N	323.440	3.520	50	20	DHGD	
COc1ccccc1OCC(=O)NN=CCC1CCCCCC1	799106233	ZLAWKGCMXSCZFQ-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1cc(F)c(F)c(F)c1	802830691	IGRMSQMSKOYMSB-UHFFFAOYSA-N	320.270	3.536	50	20	DHGD	
C[C@H](O)C[C@@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808753795	CVTXKYDDGFURLY-GJZGRUSLSA-N	301.547	3.634	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1	809145895	IXXWUDACWQCBNJ-WOJGMQOQSA-N	319.360	3.880	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1CSCCS1	812765412	HYKVINDGJQBAHU-ZDUSSCGKSA-N	324.515	3.800	50	20	DHGD	
CCC(=NNC(=O)CSc1ccc(C)cc1)c1ccco1	814752964	BJTXHDNCWPUJHE-UHFFFAOYSA-N	302.399	3.611	50	20	DHGD	
C[C@H]1SCCC1=NNC(=O)c1ccc(Cl)cc1Cl	814761916	GAINABHPEVNBFC-SSDOTTSWSA-N	303.214	3.605	50	20	DHGD	
CSSCCNC(=O)Nc1ccc2c(c1)C(=O)CCCC2	817348541	NOUCUVRZGYXBLC-UHFFFAOYSA-N	324.471	3.728	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)nc1	827890746	ZIBPIEGKWINAOK-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
CCCCCCO[C@H](C)C(=O)NNc1ccc(F)c(F)c1F	839633573	UNJPURVADYESOT-SNVBAGLBSA-N	318.339	3.532	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@@]1(C)C[C@@H]1c1ccccc1	841621115	SGXBPSQZNVGRET-YLJYHZDGSA-N	322.408	3.534	50	20	DHGD	
CCO[C@@H](CC)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379400	ORIHNMUGVBEPAG-NSHDSACASA-N	324.730	3.617	50	20	DHGD	
O=C(CSC1CC1)NNc1ccccc1Cc1ccccc1	846461778	OMYCTTYXRIVLMD-UHFFFAOYSA-N	312.438	3.616	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCSc2ccccc21	848081953	RTDRIKAGIWZWJT-JTQLQIEISA-N	304.242	3.528	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855469442	GHDUDWLHXDPQFZ-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
COc1ccc(CNC[C@@]2(C)C[C@@H]2Br)cc1Cl	856806518	FXEYESKHSZMTHA-QWHCGFSZSA-N	318.642	3.612	50	20	DHGD	
COc1ccc(NNC(=O)C[C@@H](C)C2CC2)c(C(F)(F)F)c1	857265328	JKTSSJQELNEABU-SECBINFHSA-N	316.323	3.593	50	20	DHGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)CC(C)C)c1ccccc1	916517743	PWPFVMBCJWDDGX-QGZVFWFLSA-N	319.449	3.540	50	20	DHGD	
C[C@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC(Cl)CC1	1123693065	ZXMMBIFMZZLTPD-XKGSQUFQSA-N	311.775	3.973	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2c[nH]c3ccccc23)cs1	1317927462	PIXZBQGTVKFEEJ-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
Cc1coc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1C	1322461116	WANVANPMAXNJAI-UHFFFAOYSA-N	323.274	3.544	50	20	DHGD	
C[C@@H]1CCc2nc(NC(=O)NNc3ccccc3F)sc2C1	1324750704	JIRJQUSOPCERLV-SECBINFHSA-N	320.393	3.556	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CCO1	1335829859	FZTMBWPUPBOCCI-SECBINFHSA-N	317.216	3.642	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H]1C	1347922217	RHTVRQKLQVRHPH-BFHYXJOUSA-N	317.520	3.584	50	20	DHGD	
CC[C@H](C)n1nccc1C(=O)NNc1cc(Cl)ccc1C	1353039566	RWUHTVGNBZTHTL-NSHDSACASA-N	306.797	3.573	50	20	DHGD	
Cc1c(NNC(=O)N[C@@H](C)CCC(C)(C)C)cccc1C(=O)O	1600051098	MHHILYMOQKFNNW-NSHDSACASA-N	321.421	3.534	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/C=C1/N(C)c2ccccc2C1(C)C	6279679	PGHKKDZDDPPDPV-JMRZXEDWSA-N	310.397	3.699	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	32752227	HRNFKGKTTYJNIC-IYSPOMMRSA-N	321.376	3.839	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2F)c1	116608832	BIYOVPMGEAUDPR-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccnc2ccccc12	119933554	HJWNPEXUDNIBAR-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1	158880535	PCCAHMKAUBZLGS-CABCVRRESA-N	316.351	3.828	50	20	DHGD	
COc1sc(/C=C(/C#N)C(=O)C(C)C)cc1Br	160225114	VLGVDVSFKJIDHU-YWEYNIOJSA-N	314.204	3.651	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CC1(Cl)Cl	178880584	NGYBQZIMXXIZBF-ZCFIWIBFSA-N	313.999	3.630	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cn1	194526907	LEAFTGVMAFSFII-VZUCSPMQSA-N	301.708	3.566	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2F)c1	212795497	MUTIFHZVCHOGOG-GHXNOFRVSA-N	314.291	3.519	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@H]1CCCC[C@@H]1C(F)(F)F	269600238	KAHJPIFSQLRBTA-IUCAKERBSA-N	322.277	3.777	50	20	DHGD	
N#CC1=CCN(C(=O)C2(Cc3cccs3)CCCCC2)CC1	291459213	NZWJAAJUBNCVGF-UHFFFAOYSA-N	314.454	3.923	50	20	DHGD	
C=C(CBr)CN[C@H](c1ccccc1)c1ccccn1	366176485	BLLGSQAGEJURNZ-MRXNPFEDSA-N	317.230	3.712	50	20	DHGD	
CCCOc1cc(C=NN(C)C(=O)OC(C)(C)C)ccc1OC	490786269	CMWJXZVWBBRVTK-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
CO[C@@H]1CCCCC1=NNC(=O)c1c(Cl)cccc1Cl	727779276	VFIBEGSJYFISBH-GFCCVEGCSA-N	315.200	3.668	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1	734095049	ZAZDJIKAYUZMOX-UHFFFAOYSA-N	320.801	3.531	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CNC(=O)NNc1cc(F)c(F)cc1F	734663890	NWWUJBBDEYRQCJ-VHSXEESVSA-N	315.339	3.556	50	20	DHGD	
C[C@H]1CCC[C@H](CNC(=O)NNc2cc(F)c(F)cc2F)C1	734665563	ZPYGZLISKQTSMX-UWVGGRQHSA-N	315.339	3.556	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@@H](C)C(=O)c2ccccc2)c1	748359870	WTNLJVGRXSUCJQ-OAHLLOKOSA-N	310.397	3.656	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1sc(C(C)C)nc1C	751132679	HGPVRSUFLPYOMF-UHFFFAOYSA-N	307.463	3.995	50	20	DHGD	
Cc1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)o1	754352090	NJJKLMFTXXGWEI-UHFFFAOYSA-N	311.293	3.798	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccccc2F)cnc1Cl	760210207	KRWHPFROPQCMTE-GHXNOFRVSA-N	300.720	3.972	50	20	DHGD	
Cc1cc(OC(=O)c2cccc(C(C)C)n2)ccc1[N+](=O)[O-]	762066705	BHBQMJPCBLLSBZ-UHFFFAOYSA-N	300.314	3.641	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2cccn2C)c(Cl)c1	763359632	QSPZGVSLJZTNRW-UHFFFAOYSA-N	321.833	3.554	50	20	DHGD	
C[C@H](C=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)CCC#N	766002789	QFSZGYZFGTYPNF-RYUDHWBXSA-N	303.431	3.528	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cc2ccccc2[nH]1	767919509	GWEULDUHAYJAKX-CYBMUJFWSA-N	323.234	3.594	50	20	DHGD	
N#CSCCCNC(=O)c1cc2c(s1)CCCCCC2	773572726	XDKBOSRYYJFDSC-UHFFFAOYSA-N	308.472	3.741	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)[C@H](C)CC	777884706	RMIKKDMCNDNEMN-YGYTWAPGSA-N	301.773	3.874	50	20	DHGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)c1c(Cl)cccc1Cl	780690551	ZDGZSUTYODFXRA-JTQLQIEISA-N	309.196	3.779	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2sccc2Cl)cc1	782165111	ADVVGNNDUNWBFU-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
C[C@H](CCNC(=O)/C(C#N)=C/c1ccc(O)cc1)CC(C)(C)C	787569756	LOTOWICXQHBPGY-DSQDWWTGSA-N	314.429	3.878	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](C)c1ccc2ccccc2c1	791224190	CBPKHNCFFCYLTR-CQSZACIVSA-N	305.381	3.790	50	20	DHGD	
Cc1coc(-c2cccc(NC(=O)NNc3ncccc3C)c2)n1	792331245	YWOAQADWGLRLTF-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
CC(C)(CC(=O)NNc1ncncc1Cl)C1CCCCC1	793888772	ATOUJKDLUCMKGA-UHFFFAOYSA-N	310.829	3.570	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(Br)cc1	797338444	UBAXFLIDKATNJW-RAXLEYEMSA-N	321.218	3.662	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cncnc2-c2ccccc2)c1	810046556	QJLLBSZGEYGQIS-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
CC(C)(C)OC(=O)NN=C(C[C@@H]1CCCO1)c1ccc(F)cc1	811629632	ZETVNHRHPUBJIL-AWEZNQCLSA-N	322.380	3.624	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)c1ccc([N+](=O)[O-])cn1	812245466	SADIRBADHJGYFZ-BJMVGYQFSA-N	303.680	3.846	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)N(C)CC(Cl)Cl	816628239	MWTNITRRLRZTLD-SNVBAGLBSA-N	306.258	3.570	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H]2CCCc3sccc32)cc1	817920943	DGSOEUNQOWLOQI-HNNXBMFYSA-N	316.426	3.710	50	20	DHGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1ccc(Cl)cc1Cl	828525651	WZBYFQRLUOVZKZ-XVKPBYJWSA-N	320.245	3.514	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2c(C3CC3)cnn2C)ccc1[N+](=O)[O-]	849250508	VAXXWWGMRNVZSC-ZSOIEALJSA-N	308.341	3.578	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3c(O)cccc32)C[C@H]1Br	851978393	LNCRLKTUJOOSLQ-NWANDNLSSA-N	310.235	3.533	50	20	DHGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)OCC(F)(F)F)C1	853429808	RZODEXOGGSXHFI-CQSZACIVSA-N	314.307	3.773	50	20	DHGD	
Cc1c([C@H](C)NC[C@@]2(C)C[C@H]2Br)cnn1C(C)C	857082427	NROZVOYYNPEMMP-ZLKJLUDKSA-N	314.271	3.597	50	20	DHGD	
C/C(=C\c1ccco1)C(=O)OC[C@H](CBr)C1CC1	859736354	YQRKNAHZNRHJFI-PMDBQALLSA-N	313.191	3.647	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)CC)c1C	876788719	HHCGQDHLKQIBEM-ATVHPVEESA-N	301.434	3.680	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@H](CF)C1	881594854	XEELLVATGWHQBG-CHWSQXEVSA-N	305.484	3.909	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1c(F)cccc1F	916253987	AAXDIGIFDDFDNM-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(CC)C(C)C)cc1OC	916347941	CKMSWHPAUFATHW-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1	917623795	XTRRRPKQAUNWKU-UVTDQMKNSA-N	306.296	3.518	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1nc2c(s1)CCCC2	920928988	VJVDYGWVLUHZRT-UHFFFAOYSA-N	322.821	3.824	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1ccc2ccccc2n1	1254244458	ACRQFKCZXDAJOM-UHFFFAOYSA-N	321.380	3.536	50	20	DHGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNc1ccccc1Cl	1317996375	RDWXWTMVJJMBHX-OAHLLOKOSA-N	315.804	3.962	50	20	DHGD	
Cc1ccccc1[C@H]1CN(C(=O)C2CCC(Cl)CC2)CCO1	1346710159	HYTLOUXZQPQYMF-VMBOVVBDSA-N	321.848	3.693	50	20	DHGD	
Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@H](F)Cl)cn2)c1	2088604823	AMCNADOINMGYEW-HNNXBMFYSA-N	322.767	3.641	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	2632405	BUZCZLIQRKGCCT-SDNWHVSQSA-N	310.328	3.770	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2c(F)cccc2F)s1	80028924	IDGCXRWJWZTHLS-UHFFFAOYSA-N	310.369	3.801	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ncccc1Cl	116452396	FFEYRNHJBIXHIS-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
CCCN(Cc1ccc(C#N)cc1)C[C@H](C)CBr	133624398	ZUSXZPJOXRCUOF-CYBMUJFWSA-N	309.251	3.801	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1	159047156	MCYVTFBMHCBZMJ-CHWSQXEVSA-N	316.351	3.828	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@@H](C)c2ccc(F)cc2F)c1	161801936	LSBZWJRYSDBMRC-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175503616	GHJFCDOJTZIEJL-OAHLLOKOSA-N	322.330	3.987	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1cccc2c1OCCO2	179707555	KNDQNPDSCABBPX-GXDHUFHOSA-N	323.323	3.695	50	20	DHGD	
CC(C)OCCCC(=O)NNc1ccc(Cl)cc1Cl	183705564	BNYPIFMEWWAHAT-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
O=C(CCCCCc1ccc(F)cc1)NNc1ccnc(F)c1	187713217	NBQFQDBERVUUSE-UHFFFAOYSA-N	319.355	3.606	50	20	DHGD	
Cn1ccc2cccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)c21	188131211	IFIQLFVFKINUQY-RVDMUPIBSA-N	319.339	3.863	50	20	DHGD	
CCC(=NNC(=O)C1CCCC1)c1ccc(Br)cc1	254647363	YRUKTDUXCIMMIU-UHFFFAOYSA-N	323.234	3.870	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1cccc(Cl)c1	293243122	ZLGPWAKKJRIXOT-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	490724749	BACXDSYTJCMQTG-XTCQQWIJSA-N	312.394	3.541	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccnc(Cl)c1F)C1CCCCC1	491162306	REGHFBKUSJVMHP-XFXZXTDPSA-N	321.783	3.572	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C\c2ccc3[nH]ccc3c2)cc1	493718065	GNXXQWXVOMQBKR-WMZJFQQLSA-N	321.380	3.723	50	20	DHGD	
C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CC(=O)[C@@H]2OC(C)(C)O[C@H]12	613825404	JWFGSBWMSQPPJQ-UNJBNNCHSA-N	314.498	3.506	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(C)s1	727689611	WDKJTYMZCRSRCC-UHFFFAOYSA-N	300.427	3.920	50	20	DHGD	
CCc1cc(CNC(=O)CCCC[C@@H]2CCSS2)on1	741217476	UHXDPWMAHOGTRJ-CYBMUJFWSA-N	314.476	3.567	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(Cl)cc1)c1ccccn1	741451080	KMEVXDOUJYFZOM-AWEZNQCLSA-N	313.788	3.789	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@@H](C)C2	741469893	NAUDQTDOHJNGON-GKUYHTSYSA-N	313.397	3.931	50	20	DHGD	
C[C@@]1(c2ccccc2)C[C@H]1NC(=O)NNc1ccccc1Cl	745858295	ZWGICLTVXSMFOJ-WBVHZDCISA-N	315.804	3.696	50	20	DHGD	
Cn1c(C(=O)NNc2ccc(Cl)c(F)c2)cc2ccccc21	746696962	HIJAKBYWNRHLPQ-UHFFFAOYSA-N	317.751	3.728	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]1c1ccccc1	747619128	HVOIBRJDGOMDPI-BHEJFATLSA-N	305.337	3.906	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1	748359566	UPJSKYIKSWYGOE-UYAOXDASSA-N	306.409	3.651	50	20	DHGD	
COc1ccc(C2(C(=O)NNc3cc(C)cc(C)c3)CCC2)cc1	748359876	WWJIUOOGGIZINB-UHFFFAOYSA-N	324.424	3.877	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@]2(C)CCc3ccccc3C2)c1	748400657	JTLBIVGLVDINHK-HXUWFJFHSA-N	308.425	3.942	50	20	DHGD	
Cc1c(NNC(=O)C[C@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-]	748674066	XUPDTPUFYLBECK-DGCLKSJQSA-N	305.378	3.563	50	20	DHGD	
Nc1ccc(C(=O)NN=C2CCCC[C@@H]2c2ccccc2)cc1	751350979	FEDSCTPKNJWJQE-QGZVFWFLSA-N	307.397	3.712	50	20	DHGD	
C[C@H](CNC(=O)NNc1cc(C(F)(F)F)ccc1F)C1CC1	754577124	XYKOWSCEPGWRDY-MRVPVSSYSA-N	319.302	3.517	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2ccc(F)cc2F)c1	755234469	DIHOKHPPNYNSLV-UHFFFAOYSA-N	322.380	3.817	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccncc2)cc1	757680920	XKIKQVOSRIEURQ-IQGJIOQQSA-N	322.364	3.692	50	20	DHGD	
CC(C)N(Cc1ccco1)C(=O)[C@H](Br)C(C)(C)C	767914442	OVYWOEYEXJVSGU-LBPRGKRZSA-N	316.239	3.826	50	20	DHGD	
COc1cccc(NC(=O)[C@H](Br)C(C)(C)C)c1F	771515605	LYRHRESCIAANAZ-NSHDSACASA-N	318.186	3.582	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1	771591490	BCLGRLNLSWHOJX-LLVKDONJSA-N	323.368	3.784	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2C(C)=CCC[C@H]2C)cc1	773202271	WSTLXHPCUZYVPK-QAPCUYQASA-N	314.429	3.722	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)[C@@H](C)CC	777884705	RMIKKDMCNDNEMN-IXJPEXDMSA-N	301.773	3.874	50	20	DHGD	
CCCC1(C(=O)NNc2nc3ccc(OC)cc3cc2C)CC1	778476339	LIRZSIWTNYHCNX-UHFFFAOYSA-N	313.401	3.575	50	20	DHGD	
C=C(CBr)CN(C)Cc1c(F)cccc1Cl	791442448	PRACDGOAIDBINX-UHFFFAOYSA-N	306.606	3.862	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CC2CCC2)cc1	794285302	UARWPUQQXHHKOQ-ATVHPVEESA-N	312.413	3.641	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCCO1	799071006	XZCZGQPLHWUVPH-ZIAGYGMSSA-N	317.520	3.728	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(O)nc2ccccc12	799759791	WRNPZNNIFGZYIF-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cnnc(-c2ccccc2)c1	810682631	HZYMTTRWMSBMTN-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc(Cl)cn1	812765289	CTSUVEXKGYVLMI-UHFFFAOYSA-N	317.820	3.853	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2cccnc2Cl)cc1	814741774	OJYHUJCRUOEABS-UHFFFAOYSA-N	315.804	3.796	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1nc(-c2ccccc2)cs1	814809540	FJTNIIWMMVAPMM-NSHDSACASA-N	301.415	3.696	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)C1CCSCC1	815004826	OCOQVQHJGDHPJY-UHFFFAOYSA-N	311.838	3.981	50	20	DHGD	
CCc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)s1	816485843	CCCUIMKNKAGDAM-UHFFFAOYSA-N	324.837	3.634	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1(C)C	817218292	XIAXPRQMUYJBEZ-IDJPSDCMSA-N	300.377	3.626	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc3oncc3c2)cc1	821027146	DZCPZHTVVIGZOQ-OQLLNIDSSA-N	317.348	3.936	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(C(=O)O)c(Cl)c1)C(C)C	833647375	DMTWLVKFCFPQMI-LLVKDONJSA-N	312.797	3.554	50	20	DHGD	
Cc1nnsc1COC(=O)CCCC[C@H]1CCSS1	835461101	KQAQFZNYIGVGMD-JTQLQIEISA-N	318.489	3.604	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C2CCC2)C2CC2)cc1	837243462	GZZJKSZUFWYRJS-WPNIOXTASA-N	324.424	3.687	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ncnc(Cl)c1C(C)C)CC	840547957	YCEQVZHKODJTCA-LTCQKBRTSA-N	308.813	3.609	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)C(C)(C)F)c(C)n1Cc1ccco1	840736548	YJJWVYRIQLBJLL-DHDCSXOGSA-N	314.360	3.970	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCc2cccnc2)C1	852525094	SWRDFFUFZMIVOV-MRXNPFEDSA-N	306.526	3.720	50	20	DHGD	
CCn1ncc(Cl)c1C(=O)NNc1c(C)cccc1C(C)C	857261972	BQPWNTWTBNFGIA-UHFFFAOYSA-N	320.824	3.745	50	20	DHGD	
C[C@H](NNC(=O)C(C)(C)c1ccc2ccccc2c1)C(F)(F)F	862314214	XVZKJUHCXOGCQG-NSHDSACASA-N	324.346	3.689	50	20	DHGD	
N#C/C(=C/c1csc(C(F)(F)F)c1)C(=O)[C@@H]1CCCOC1	863189569	BSOKASYFCOHGJM-BJIOATRMSA-N	315.316	3.670	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1sc(N)nc1C	874113794	XLJXKOKTDUFMCX-LLVKDONJSA-N	308.451	3.522	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)C(=O)c1cccc(C)c1C	1318405309	NFOGTNYFWKYLGM-OQLLNIDSSA-N	307.349	3.808	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1c1cccc(OC)c1	1321461911	OEGKZHZJQXNTGR-OAHLLOKOSA-N	310.235	3.783	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)s1	1777433705	WSGFSGGUSBHXJJ-KPKJPENVSA-N	315.325	3.684	50	20	DHGD	
N#C/C(=C\c1ccsc1)S(=O)(=O)c1ccc(Cl)cc1	6930995	LGFAUERSFWFSSD-NTUHNPAUSA-N	309.799	3.740	50	20	DHGD	
O=C(CCc1c[nH]c2ccccc12)NNc1cccc(Cl)c1	30610840	UJSXWWSETMYZDG-UHFFFAOYSA-N	313.788	3.897	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1	33603090	JHIIDHQFVBYAAG-KEBRMTTGSA-N	319.320	3.697	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc2cc(Cl)ccc2[nH]1	113430187	FTNPNKZHLNAYAV-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
CC[C@H](C(=O)NNc1cccnc1Cl)c1ccc(F)cc1	131378545	GNHULWNMMYRSAH-LBPRGKRZSA-N	307.756	3.511	50	20	DHGD	
COc1ccc(CCC(=O)NNc2ccccc2Cl)cc1F	136102880	APCQBGQXMTYULY-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](CC1CCCC1)c1ccccc1	154248748	RRZHJYDRGHMVBH-HGLWPWQMSA-N	312.413	3.868	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(OC(F)(F)F)c2)cc1	158951797	GNWSLAHMKLIYND-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
O=C(/C=C/c1cccs1)NNc1ccc(C(F)(F)F)cc1	159872806	RHUVEUXUHVWRQT-BQYQJAHWSA-N	312.316	3.923	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(F)c(Br)c2)c1	175226446	OFKYNZKKTPJURC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2c[nH]c3c(C)cccc23)c1	175227022	ISWFGHDICZFFRE-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
Cc1ccccc1NNC(=O)c1ccccc1Br	192735538	OBCWZEPMOSVMLZ-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
N#C/C(=C\c1sccc1Cl)C(=O)NCc1ccccc1	195221944	NIOOTQQAXKVBFI-XYOKQWHBSA-N	302.786	3.625	50	20	DHGD	
C/C(C=NNC(=O)c1c[nH]c2ccccc12)=C/c1ccccc1	263626314	HZGCAELCWCWMJJ-LZBCDJOTSA-N	303.365	3.987	50	20	DHGD	
Cc1sccc1/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	296021101	UOYKRRGWTDUGBM-IZZDOVSWSA-N	314.332	3.517	50	20	DHGD	
CCCN(N=Cc1ccc(OCC#N)cc1)C(=O)OC(C)(C)C	495678366	YLHMMVVXLXCBKF-UHFFFAOYSA-N	317.389	3.570	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)s1)C1CCC1	731932607	PDMTVHZFACPVAF-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
O=C(NN=Cc1ccc(SC(F)(F)F)cc1)C1CCC1	731933084	FDOCPTKXTZHYFA-UHFFFAOYSA-N	302.321	3.549	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCN(C(C)(C)C)CC1)c1ccccc1	731933339	XBYWOMCKPNVKLI-KRWDZBQOSA-N	315.461	3.547	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)NCc2ccc(Cl)cc2)c1	732927432	MJAOGHBTBMNFEN-UHFFFAOYSA-N	315.804	3.790	50	20	DHGD	
Cc1cc(OC(=O)C[C@H]2CCc3ccccc32)ccc1[N+](=O)[O-]	734388391	HATQMIQFJWCYMZ-CQSZACIVSA-N	311.337	3.929	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2csc(C3CC3)n2)c(C)c1	743765371	LSBMOVNEKWLEQF-UHFFFAOYSA-N	301.415	3.703	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnc(Oc3ccccc3)c2)cc1	749200556	MPRCWOOJMMBPHW-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CC(C)[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CCS1	750055455	WRNFSTZYBCGVPA-KBHCHJSJSA-N	317.414	3.533	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2ccc(Cl)cc2)c1	760137661	MQNVZZMBDGABCQ-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
O=C(NN=C1CCCc2c(Cl)sc(Cl)c21)C1CC1	760224582	FOIZAVSQOMUUHU-UHFFFAOYSA-N	303.214	3.622	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccc(Br)cc1	773454786	DMVSNMAIZZWBHC-GFCCVEGCSA-N	311.223	3.719	50	20	DHGD	
CCC(CC)CNC(=O)NNc1ccccc1OC(F)(F)F	779588020	AHWDQGGOPAWHGU-UHFFFAOYSA-N	319.327	3.648	50	20	DHGD	
Cc1ccccc1OCCOC(=O)/C(C#N)=C\c1ccccc1	785350189	GMZMOSYLYOZANQ-LGMDPLHJSA-N	307.349	3.524	50	20	DHGD	
CCCC[C@@H](CCC)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787410390	WUGNKRYEZNZSFD-RTYFKUQISA-N	300.402	3.774	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)C12CC3CC(CC(C3)C1)C2	794565409	GUSYLKIYZDJFRR-UHFFFAOYSA-N	311.429	3.712	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	794874414	GTCTVBUKOHDDSZ-GHXNOFRVSA-N	322.343	3.874	50	20	DHGD	
Cc1noc(C)c1CCNCc1ccc(OCCCCl)cc1	798184726	CVOADWWUOVUSTM-UHFFFAOYSA-N	322.836	3.631	50	20	DHGD	
CC[C@H]1c2ccccc2CCN1C(=O)NCCSSC	807226573	PVZDYOXEUMEXGH-AWEZNQCLSA-N	310.488	3.717	50	20	DHGD	
ClCCCOc1ccc(CNc2cnn(CC3CC3)c2)cc1	811485656	VMVCFUCBTMXXOO-UHFFFAOYSA-N	319.836	3.913	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1nccc2ccccc12	811698179	IWBOERUXUNRDEE-AATRIKPKSA-N	311.772	3.566	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)CCC2CCCC2)cc1C	812716981	UNMLQUIYMJFXKV-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CC[C@@H]2C2CC2)c1	814704309	MMEXOZPGKVBFSV-MRXNPFEDSA-N	314.429	3.789	50	20	DHGD	
CCC(=NNC(=O)[C@@H](CC)c1ccccc1)c1ccc(F)cn1	814845865	XWTGHXSGXOAXEE-HNNXBMFYSA-N	313.376	3.645	50	20	DHGD	
Cc1cc(OCC(=O)N(C)CC(Cl)Cl)ccc1C(C)C	816628552	AHXJUOBVSWHAJD-UHFFFAOYSA-N	318.244	3.759	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(Cl)n1)c1ccccc1	817010074	KZFIJIGXQJKEGX-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1ccnn1CCC(C)C	822763770	VKSGEQJHHITVMQ-UHFFFAOYSA-N	319.384	3.525	50	20	DHGD	
CO[C@@H]1CC(=NNC(=O)c2cccc3ccccc23)C12CCC2	834963575	WYPZJTXCAOWQEG-QGZVFWFLSA-N	308.381	3.515	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cccc(OC(C)C)n1	836932419	AGFUZNRKABTURZ-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)CCCc1cccnc1	854843312	NBHHEUKWUJIOLN-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc3c(c2)C[C@H](C)O3)cc1	854883285	YFZRWYFPMIKCOK-ZDUSSCGKSA-N	310.397	3.890	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1scnc1C(C)(C)C	855366928	NAIYGHVHFDZMJM-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NC[C@@]1(C)C[C@H]1Br	857394240	LLYABCMTYVDBII-JTNHKYCSSA-N	304.272	3.739	50	20	DHGD	
Cc1csc(C(=O)NN=CC(C)(C)Oc2ccccc2)c1	863157019	RFKGENXZTCBSOZ-UHFFFAOYSA-N	302.399	3.630	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CC(OC)C1	875100182	KRZJWRSYMVTSIY-UHFFFAOYSA-N	318.442	3.748	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)c2nc(C(C)C)cs2)n1	899361479	ZWVDVPZOCXSNKR-YRNVUSSQSA-N	313.382	3.512	50	20	DHGD	
CSCc1cccc(NC(=O)[C@@]2(C)C[C@@H]2Br)c1	906635524	IDFCTDGLUGCLOV-AAEUAGOBSA-N	314.248	3.662	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c(C)[nH]c3ccccc23)cc1	916329584	OTXLBMRXOSCMJO-UHFFFAOYSA-N	305.381	3.803	50	20	DHGD	
Cc1cc(OC(=O)c2cc3c(s2)CCC3)ccc1[N+](=O)[O-]	917368318	MQUCUKGBNBPQTJ-UHFFFAOYSA-N	303.339	3.673	50	20	DHGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1ccncc1	917528966	JKYMFRGLOTUVJL-UHFFFAOYSA-N	301.349	3.513	50	20	DHGD	
Cc1cccc(C2(C(=O)Oc3ccc([N+](=O)[O-])c(C)c3)CC2)c1	919683903	CMDGAFINFMQSED-UHFFFAOYSA-N	311.337	3.849	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ccccc1[N+](=O)[O-]	929166283	NCNXHMCVVHCFHK-UHFFFAOYSA-N	317.345	3.551	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(C)c(Cl)c2)n1	1116317530	SVRPBEFDXSJXNO-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
C[C@@H](C1CC1)n1cc(NC(=O)c2cccc(CCl)c2)cn1	1120637689	VTBBFKKZTCUSRV-NSHDSACASA-N	303.793	3.845	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)c1	1320624880	NSNKNJAJJUASMP-UDWIEESQSA-N	316.404	3.707	50	20	DHGD	
CC(C)(C)[C@H](Br)c1nnc([C@@H]2CCCCO2)o1	1331912525	PBYLHNZGXREJTK-DTWKUNHWSA-N	303.200	3.793	50	20	DHGD	
O=C(Nc1cnn(C2CCCC2)c1)c1cccc(CCl)c1	1337435285	FDNRVVZSQJQOQS-UHFFFAOYSA-N	303.793	3.989	50	20	DHGD	
O=C(N[C@@H]1CCOc2c(F)cccc21)C1CCC(Cl)CC1	1527611933	UIHOELSBJJKFCX-QIMFLAQGSA-N	311.784	3.563	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNc1ccc(C(=O)O)c(F)c1	1595666280	HNVRHXHRKQGTOP-KRWDZBQOSA-N	324.396	3.964	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2c[nH]c(C(=O)O)c2)cc1	1603534435	UPHMSMSWPLTDOF-ZSOIEALJSA-N	322.364	3.800	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNc1ccc(F)c(C(=O)O)c1	1605255356	QMWYXYXNSSGVJH-KRWDZBQOSA-N	324.396	3.964	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(C(F)(F)F)cc1Cl	7698851	BANOEPRNOCIPKL-BQYQJAHWSA-N	318.682	3.741	50	20	DHGD	
COc1ccc(C(=O)NNc2cccc3c2CCCC3)c(C)c1	120094265	MVEZELSQFVXUIQ-UHFFFAOYSA-N	310.397	3.639	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1cccc(OC(F)F)c1	132688862	AELJRKMXNMEUSN-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
CCC[C@H](C(=O)NNC(=S)Nc1ccc(C)c(C)c1)C(C)C	134274570	MMJINTIZIZXIEU-HNNXBMFYSA-N	321.490	3.693	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ncoc2-c2ccccc2)c1	150842830	RHIBNFAVSBQVLM-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Nc2cc(C)cc(C)c2)c1	152965496	LJWCAFBCPLIMPQ-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
O=C(CCc1ccc(F)cc1F)NNc1ccc(Cl)cc1	162521076	DCSAPDWBBXHDCC-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1OC	170933612	RZYJKGAYBNAXIY-MDWZMJQESA-N	313.378	3.864	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(F)c(O)c(F)c2)c1	175317287	WMMPLDRNUXIKDK-SDQBBNPISA-N	314.291	3.525	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(C#N)s1)c1ccccc1	188581376	FXAIEOLRPOLDSB-SHRNQRGKSA-N	321.405	3.794	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccsc2)cc1	188613102	YRPUHXFDJIQMMQ-CDCQXCROSA-N	312.394	3.541	50	20	DHGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)nn1	191242233	PHGBVBDEMHNICK-MDWZMJQESA-N	320.352	3.569	50	20	DHGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)c1cc(F)cc(F)c1	194536428	OFRQFVYWEQPYDC-BCTAIJSYSA-N	320.276	3.724	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(F)c2C#N)c1	491107803	WOAINUZBFNVSEZ-ZROIWOOFSA-N	305.312	3.551	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H](C)CC(C)C)c1C	727848237	JXRWKDQEYMAQJG-GFCCVEGCSA-N	321.490	3.693	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(C(F)(F)F)cc1	728429165	VIFDMCFSAGDEQI-UHFFFAOYSA-N	300.324	3.982	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F	729150875	PIXJWAWJJMTHPN-LJFVSUNUSA-N	300.377	3.736	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Oc2ccc(C)cn2)cc1	733249015	ALKLSRSVZWNCAW-OWBHPGMISA-N	323.352	3.565	50	20	DHGD	
O=C(CSc1ccccc1)NNc1nccc2sccc12	734249574	BBLKESULXRBOBF-UHFFFAOYSA-N	315.423	3.532	50	20	DHGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNc2c(F)cccc2F)C1	735760214	SGWAXQGZEXMQSE-RYUDHWBXSA-N	311.376	3.806	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1nccc2ccccc12)c1ccccc1	740763020	UGJGXEGCAYEQDT-KRWDZBQOSA-N	317.392	3.879	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1cccc(F)c1	748089638	WMBHNBCAFICQAY-KRWDZBQOSA-N	300.377	3.784	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)ccc1Cl	748673711	OKWJGAICYFQVTB-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@H]1Cc1ccccc1	752315093	PHPYZTXKOQPSSH-IFQVXRHPSA-N	319.364	3.776	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C[C@@H]1CCCC(C)(C)C1	752719727	VHAPMGSGNZKNSD-CQSZACIVSA-N	312.417	3.575	50	20	DHGD	
CC(C)(C)CC=NNC(=O)CSc1nc2ccccc2s1	755511773	VZRAESRIOMIMEZ-UHFFFAOYSA-N	321.471	3.927	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCC[C@@H]2CC)cc1OC	758373321	WTLVTZJKTMAUDT-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
Cc1cccc2c1CCN2C(=O)[C@H](Br)C(C)(C)C	767919597	JLJGTMMNRDGYAN-ZDUSSCGKSA-N	310.235	3.694	50	20	DHGD	
CC(C)[C@@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	768165209	GKQYJGYENXAZNP-NWDGAFQWSA-N	304.272	3.833	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(O)c(F)c1	768271728	NGUXVNULCWPCQT-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)c1nc2cc(F)ccc2s1	770568193	BGLANIIJLCCIEC-UXBLZVDNSA-N	312.373	3.795	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cn1	780153290	MXVWTKJOXWMIFE-IZZDOVSWSA-N	316.719	3.673	50	20	DHGD	
CCCC[C@@H](CCC)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787410388	WUGNKRYEZNZSFD-ASNKMWSDSA-N	300.402	3.774	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(F)c1)c1c[nH]c2ccccc12	787455409	NKLLXUIDOXEJFK-GFCCVEGCSA-N	311.360	3.944	50	20	DHGD	
COc1cc(NNC(=O)/C=C/c2ccccc2F)ccc1Cl	790178479	XSKAKSWLXUMIAP-RMKNXTFCSA-N	320.751	3.644	50	20	DHGD	
CCN(Cc1cccc(Cl)c1)C(=O)NCCSSC	790877018	UWZSRBLDPLCDQQ-UHFFFAOYSA-N	318.895	3.883	50	20	DHGD	
C=C(CBr)CN1CCC(OC2CCCCC2)CC1	791456947	KCJQUPMJBATWOI-UHFFFAOYSA-N	316.283	3.751	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCOC1CCCCC1	799557298	URHLRQMYZLLUKX-UHFFFAOYSA-N	319.449	3.533	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1cc2c(s1)CCC2	800807010	LIHBGTLMBOMTSZ-LLVKDONJSA-N	308.422	3.872	50	20	DHGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(-c2ccccc2)c1	806759737	UCDOHAQJSQSSOP-UHFFFAOYSA-N	311.385	3.552	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cn1	812241675	HYVICNICPZKJQE-UXBLZVDNSA-N	324.321	3.770	50	20	DHGD	
COc1ccc(NC(=O)NN=CC[C@H](C)c2ccccc2)cc1	814998316	DLHUITYERLFSMW-AWEZNQCLSA-N	311.385	3.996	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNc1ncncc1F	817081056	ONOPTTLHLAMCCC-INIZCTEOSA-N	310.417	3.836	50	20	DHGD	
CCc1ccc(CC(=O)NNc2ccc(C(C)(C)C)cc2)nc1	831899635	IJFZVCGNYHLFPG-UHFFFAOYSA-N	311.429	3.627	50	20	DHGD	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)C(C)(C)F)c1Cl	834447777	RUSJXWRFFCMUDM-DHZHZOJOSA-N	311.788	3.869	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)nc2)c(Cl)c1	836935721	AHYGLPHJBJTQBZ-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(OC2CC2)c1F	849176217	IUVNUKGRUIQWDT-RAXLEYEMSA-N	303.333	3.617	50	20	DHGD	
C[C@@]1(CNC(=O)c2cccc3ccsc23)C[C@H]1Br	857395777	SZYONUDIPQSAOA-RISCZKNCSA-N	324.243	3.805	50	20	DHGD	
CCc1nc([C@@H](C)NC[C@@H](CBr)C2CC2)cs1	859250665	MXJVGWSTJHZEGP-MWLCHTKSSA-N	317.296	3.777	50	20	DHGD	
CC(=O)c1cc([N+](=O)[O-])ccc1OC(=O)OC1CCCCC1	867019053	GZICFTMEAOQSNW-UHFFFAOYSA-N	307.302	3.646	50	20	DHGD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@]1(C)C[C@@H]1Br	906936530	GSOFDBBZMPOWDR-UYHMYPTGSA-N	322.246	3.565	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC)c1cccc(C(F)(F)F)c1	910816933	GWAWSTGBNGPRTA-ZHACJKMWSA-N	312.291	3.502	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccccc1	916336098	VHECSVXGCIBKOJ-CYBMUJFWSA-N	314.360	3.524	50	20	DHGD	
CN(NC(=O)Nc1ncc(-c2ccccc2)s1)c1ccccc1	920939875	YXPVAURSIFKFCO-UHFFFAOYSA-N	324.409	3.983	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)c2cncn2-c2ccccc2)C1	1321885954	HKEAWTGJPOLGIO-AWEZNQCLSA-N	310.401	3.558	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](c2ccncc2)C1	1336493773	FAXQVUKJJVLKEA-KRWDZBQOSA-N	314.816	3.840	50	20	DHGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)c1	7748115	GMRRKUMIFSZDSI-CPNJWEJPSA-N	318.420	3.878	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2cc(F)ccc2C1	91892538	JGQRRMQYAPJBRL-WSVATBPTSA-N	323.327	3.657	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2)cc1OC	107654928	UGXUTQLMCWJHHI-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
CC[C@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1	112517748	MDGLIENJYLMOTF-INIZCTEOSA-N	302.805	3.655	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NNc2ccc(Cl)cc2)c1	120351819	NILDNLUFMOXKPC-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cc2ccccc2s1	133974917	DYMCYLQZAVYMMI-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
C[C@@H]1CCC[C@](CI)(OC2CCC2)C1	158368734	NSXKUBKCKXEICN-PWSUYJOCSA-N	308.203	3.939	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@H]1c1cccc(F)c1F	158565580	ZLFFFCOEZKKXHA-WDEREUQCSA-N	322.742	3.865	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1	158817228	LFEIOMIMNJWACW-LSDHHAIUSA-N	300.427	3.920	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	172043827	BMNIZVJOHQHCHH-NTEUORMPSA-N	310.378	3.755	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1(c2cccc(F)c2)CCC1	184345653	HDHGKXOUZROXEF-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccncc1	184760453	CZZTZSQMHFCVEM-DTQAZKPQSA-N	321.380	3.806	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)[C@@H]1CCCOC1	281002215	NQHGGAQOXUIBMK-GGQLTLKSSA-N	310.180	3.896	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)N2CC=C(C#N)CC2)cc1Cl	291422302	KQODCTOLVJWPDW-UHFFFAOYSA-N	302.805	3.933	50	20	DHGD	
CC/C(=C/C(=O)NNc1cc(Cl)ccn1)c1ccc(C)cc1	588396476	RZTGKDVPDMVYKJ-RAXLEYEMSA-N	315.804	3.980	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC(C)(c3ccccc3)C2)cc1	729632653	FJMYXIHTZJQNCC-UHFFFAOYSA-N	321.424	3.631	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccccc1OC(F)(F)F	730945827	RYTBNLNYIJGHMX-UHFFFAOYSA-N	322.286	3.739	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)Cc1nc(C)cs1	731926134	NLCFGEPKXXQLDJ-UHFFFAOYSA-N	307.463	3.847	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cccc(Cl)c1Cl	734977384	PWIDSHIZQKVGLR-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc4c3OCCO4)[nH]c12	735620332	XJASGGYRQKJLCS-GXDHUFHOSA-N	317.348	3.707	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)CC(F)(F)F	740761668	FVJMCHYJPYWWAT-UHFFFAOYSA-N	300.324	3.844	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1SC	741165701	QRNIGACYPFKZJP-ZTFCMROMSA-N	319.426	3.948	50	20	DHGD	
Cc1ccc(C)c(N(C)S(=O)(=O)c2ccc(CCl)cc2)c1	742255293	BPOJHNUTYSDNNW-UHFFFAOYSA-N	323.845	3.867	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=S)Nc1cccc(C)c1	743820138	NTYBOOPDOKNAIJ-CQSZACIVSA-N	321.490	3.919	50	20	DHGD	
CC[C@H](C)C[C@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	745887710	DEOCRSBWDYTBLJ-QWRGUYRKSA-N	315.364	3.739	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1ccc(F)cc1	747356745	VYUNCGMUQFNYJX-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2C[C@@H](C)C[C@@H](C)C2)cc1	747754406	YBFQEWNEBADQDN-OKILXGFUSA-N	302.418	3.556	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1cccc(-c2ccc(C)cc2)c1	757524729	BPGPWGXFHJMGLV-CPNJWEJPSA-N	302.377	3.871	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cnc1Cl	760211682	OQVSCOKRTWMXLP-SXEFYWFXSA-N	317.820	3.645	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(C)C	765008899	FUMKRNYJLGPIBM-LLVKDONJSA-N	313.785	3.764	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCCc1ccccc1	772185277	LXIAVINHURJYSF-JXAWBTAJSA-N	321.376	3.865	50	20	DHGD	
CC(C)(C)c1ccc(/C=C/C(=O)NCCCSC#N)cc1	773586474	FLHMJPJULMSGLF-JXMROGBWSA-N	302.443	3.718	50	20	DHGD	
Cc1ccc(C(=O)NNc2nc3ccccc3cc2C)c(F)c1	777478919	MVVNORSRVYYQMJ-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)Cc1ccccc1F	780638456	FEPBNQZJMCSAMP-SFHVURJKSA-N	322.424	3.512	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3scnc3C3CC3)nc12	782341445	JWDXEXPCQJTHRP-IZZDOVSWSA-N	307.382	3.664	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ncc(C2CCCCC2)s1	782642621	XBVQVIVUJCYHJF-UHFFFAOYSA-N	317.418	3.734	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1cc(Cl)cc2cccnc12	786676349	QLUQZOQBAAJPPX-AWNIVKPZSA-N	312.756	3.791	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCc1nccs1	788019872	CXVBTKFGXKNNSB-UHFFFAOYSA-N	300.544	3.639	50	20	DHGD	
C#CCC1(C(=O)NNc2ccc(Cl)c(F)c2)CCCCC1	788511961	ADOQLQQPBYXWBZ-UHFFFAOYSA-N	308.784	3.896	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccc(C)c(F)c2)ccc1Cl	788548978	OUSDXQBNXYBZBP-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CCCn1c(C(=O)NCCSSC)cc2ccccc21	791152769	OLANLPLIUIKGSI-UHFFFAOYSA-N	308.472	3.792	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(OCCC(C)C)cc1	791215828	DERBSVINAGCNGO-UHFFFAOYSA-N	313.401	3.572	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1csc(C(C)C)n1	799756071	XILSJJPTXQSQGK-UHFFFAOYSA-N	303.431	3.894	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccccc1Oc1ccncc1	801176449	XUFUOCMDCRFDGA-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCC/C(C)=C/C(=O)NNC(=O)Nc1ccc(C)cc1Cl	802048167	MEEVNKAQQLHLQR-MDZDMXLPSA-N	309.797	3.548	50	20	DHGD	
CSc1cccc(NC(=O)NNc2ccccc2Cl)n1	806783640	OODWPNBPIHXDPF-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@H]2CCCC[C@H]21	807033416	OSXVTQUDNVCSNL-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)c1cc2cccc(C)c2s1	808373592	RLSLKHLNNQFQLF-UHFFFAOYSA-N	324.405	3.593	50	20	DHGD	
COc1ccc2nc(C)c(C(=O)NNc3ccccc3C)cc2c1	809701621	ZTJSNQCABAMWGS-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
COc1ccc2c(c1)C1(CC1)CN(C[C@H](C)CBr)C2	810098614	WCFFYCLYXPKMFB-GFCCVEGCSA-N	324.262	3.573	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(F)c2C#N)c1C	811686655	ZBHAXZOHQRDHPA-OQLLNIDSSA-N	319.339	3.860	50	20	DHGD	
CCOc1ccc(NNC(=O)C(C2CCC2)C2CCC2)cc1	817885600	GALUTRSZPJMZAG-UHFFFAOYSA-N	302.418	3.745	50	20	DHGD	
C=CCC1(C(=O)NNc2cnnc3ccccc23)CCCCC1	825836047	SOGHMMFDIBKTLF-UHFFFAOYSA-N	310.401	3.600	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	832969034	UVKSSORTIVHNJU-URLYPYJESA-N	315.339	3.616	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@H](O)c2cccc(F)c2)cc1	837053850	XQECYOSKEFDGOH-KRWDZBQOSA-N	316.376	3.516	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccccc1SC(F)(F)F	837650862	JWYOWTRNXVMYPE-UHFFFAOYSA-N	318.147	3.832	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(N(C)C)cc1	851950397	ONJLNHJFGZYBJZ-CQDKDKBSSA-N	311.267	3.577	50	20	DHGD	
C=C[C@H](CO)NCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	852714359	JIQYNSOSZQCYJO-QGZVFWFLSA-N	321.537	3.845	50	20	DHGD	
CN(CC1=CCCOC1)C(=O)CCCC[C@@H]1CCSS1	855740232	WDJYFKYWSKCDBL-CQSZACIVSA-N	315.504	3.506	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccc(Cl)cn2)cc1	856093316	GDKVGJLBSGKIFZ-LLVKDONJSA-N	303.793	3.544	50	20	DHGD	
CC[C@@H](SC)C(=O)NNc1nc2ccc(Cl)cc2s1	856233955	HTXNJWYYOQBJNF-SECBINFHSA-N	315.851	3.534	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2cccc(F)c2Cl)CCO1	862506987	QKQRZQNLIQADMW-GHMZBOCLSA-N	314.788	3.518	50	20	DHGD	
CN(N=Cc1c(F)ccc(F)c1Cl)C(=O)OC(C)(C)C	863082640	OPEYFNDLZRJXIP-UHFFFAOYSA-N	304.724	3.819	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2cnc(C3CCCC3)s2)c1	863155291	FHFPFKRCUSMJQU-UHFFFAOYSA-N	319.455	3.935	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2F)CCO1	885107509	HJUYELRUZQBUHB-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC3(CCCC3)C2)o1	901179837	OVGWEBOISLMMSI-UHFFFAOYSA-N	317.433	3.561	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@@]2(C)C[C@H]2Br)CC12CCCC2	909439329	VQNOTUOEVGJIID-DYEKYZERSA-N	314.267	3.587	50	20	DHGD	
CC(C)[C@H]1C[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	935302476	KQIGLIZCVULKLN-RHSMWYFYSA-N	318.461	3.878	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2C=CCCC2)c1C	1252867936	ANDDEFANKQMKFG-WQJNHMDYSA-N	311.429	3.647	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1C	1318595045	LMFRROKKBVSZCF-GXDHUFHOSA-N	316.364	3.593	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)c1ccc(F)cc1F	1320368083	RKZQUVTZTKYQSM-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(c3ccccc3C)C2)cc1O	1330890345	LVTHBLIPZHKPFM-UHFFFAOYSA-N	308.381	3.672	50	20	DHGD	
CC(CCC(F)F)=NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	1549905029	PHCAMVKHRPGHHB-ZBFHGGJFSA-N	324.371	3.692	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCCCC2(CCC2)C1	1551637996	WKCHDPAVAAUPNZ-UHFFFAOYSA-N	323.868	3.535	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)co1)c1nc2cc(F)ccc2s1	1610619196	RQRWZCYCAURRRS-FPYGCLRLSA-N	314.297	3.791	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)C1(Cc2ccccc2)CC1	120208274	FUEAZUFHLBJKBL-UHFFFAOYSA-N	300.789	3.806	50	20	DHGD	
Cc1csc(NC(=O)NNc2cccc(C(F)(F)F)c2)n1	170697973	XUNNERMZGHXGMO-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)CC(C)C)cc1OC	171019625	GPJZKPUPHSQIIZ-RIYZIHGNSA-N	317.385	3.625	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)o1	177615084	IWDQRJQGZZMTDO-DHZHZOJOSA-N	315.350	3.616	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C	179204991	XSKPTWQQFYPGST-OQZOHAQUSA-N	321.446	3.538	50	20	DHGD	
COc1ccc(C[C@@H](C)C(=O)NNc2ccccc2Cl)cc1	179486385	OBOYTNOIGVTNOF-GFCCVEGCSA-N	318.804	3.671	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccccc12)C12CC3CC(CC(C3)C1)C2	252627962	SFBJZPLAZOYYBA-UHFFFAOYSA-N	321.424	3.834	50	20	DHGD	
C/C(=C/C(=O)NNc1ccccn1)c1ccc(C(F)(F)F)cc1	588391778	SKAWXLKRPGNOJK-KHPPLWFESA-N	321.302	3.647	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(Cl)c([N+](=O)[O-])c1	728431532	WUSNTEYPATZYSG-UHFFFAOYSA-N	311.769	3.525	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccnc3ccccc23)cc1	731314858	WNAKVVGTHHFMRI-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccc(Cl)c1	740095868	OSLSIIQPYNOLBK-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@@]12CCc1ccccc12	749284312	QWJOCWUHNLPEQL-FUHWJXTLSA-N	312.800	3.687	50	20	DHGD	
CCCC(CCC)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	753144443	PKWFTHVZYKQONO-UHFFFAOYSA-N	323.345	3.503	50	20	DHGD	
Cc1ccc([C@@H]2CCCN2CCI)cc1	759320325	FQRSODXKOQSPMN-ZDUSSCGKSA-N	315.198	3.567	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	764411748	ODQVEGZMKYDNTO-UKTHLTGXSA-N	312.394	3.919	50	20	DHGD	
CC(CC1CC1)=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	764790834	UMFFBQOBBCCWMV-UHFFFAOYSA-N	310.401	3.599	50	20	DHGD	
O=C(NN=C1CCCCCC1)c1cc(-c2ccc(F)cc2)[nH]n1	764811965	WPQFYLZAJNLMGG-UHFFFAOYSA-N	314.364	3.656	50	20	DHGD	
C[C@H](CC(=O)N1CC=C(C#N)CC1)c1cccc(C(F)(F)F)c1	767177759	NAVLFAPHUBWVRC-GFCCVEGCSA-N	322.330	3.881	50	20	DHGD	
CC(C)N(C(=O)[C@H](Br)C(C)(C)C)C1CCCC1	767959642	NZMSFXWCCJCKRJ-LBPRGKRZSA-N	304.272	3.976	50	20	DHGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1c(F)cccc1Cl	770190826	MYUKCOVWTGIMMR-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)Cc1ccc(F)cc1	771700074	DCZDBBYTQUBDEQ-LBPRGKRZSA-N	304.340	3.595	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cnoc2C2CC2)cc1	773452406	OJCUADGFCYRLKP-NVNXTCNLSA-N	308.337	3.511	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2nc3c(s2)CCCC3)cc1	776265920	MZMGDCLEGARKRC-RAXLEYEMSA-N	323.421	3.876	50	20	DHGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	779536085	FCEDMMQNRIOSCT-NXEZZACHSA-N	319.327	3.646	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc2cnccc2c1	779753122	VGUHRLCJLTVNRK-PRGJHLCASA-N	319.408	3.837	50	20	DHGD	
Cc1cscc1CNC(=O)NNc1c(F)cccc1Cl	787332759	OHXYCCKQRHRPEL-UHFFFAOYSA-N	313.785	3.675	50	20	DHGD	
C=CCCC[C@@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	789167108	UFSBSBODTWICBA-LLVKDONJSA-N	311.813	3.720	50	20	DHGD	
C#CC[C@@H](NC(=O)NNc1c(C)cccc1CC)c1ccccc1	799611274	RUSQBHMMSGNOGI-GOSISDBHSA-N	321.424	3.948	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2ccccc2)cn1	799705792	OIAUXXFVODMSAP-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
C[C@H]1CC[C@H](C=NNC(=O)c2cccc(Br)c2)C1	800813064	RBGKXKBAYKRMPO-QWRGUYRKSA-N	309.207	3.601	50	20	DHGD	
CSSCCNC(=O)N1CCCC2(CCCCC2)C1	807228682	WVHHNUYTCHNKCE-UHFFFAOYSA-N	302.509	3.754	50	20	DHGD	
CCCC(=NNC(=O)Cc1ccc(Cl)cc1)c1cccnc1	814757042	KTFBATOKERYCQW-UHFFFAOYSA-N	315.804	3.598	50	20	DHGD	
CCC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(O)cc1	815005891	AASFBNVHSXCJFL-UHFFFAOYSA-N	319.311	3.606	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(O[C@@H]3CCOC3)cc2)o1	849248960	BFHKQZHPLQIETN-IUYQLWOBSA-N	323.348	3.546	50	20	DHGD	
Cc1c(C(=O)NC[C@@]2(C)C[C@@H]2Br)oc2ccccc12	857403940	KLRJHVMPXVMEQU-SWLSCSKDSA-N	322.202	3.645	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1cc(Cl)ccc1F	871270979	WXKHTYOBNMIWLM-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)c1nc2ccccc2o1	899381694	RNQLMUUQODTCPH-OVCLIPMQSA-N	304.353	3.889	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cc2c(s1)CCC2	916315001	CTTMLNRNZDWONM-MQYQWHSLSA-N	314.454	3.779	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCC[C@H](C)C2)cc1OC	916348349	JNELBHVJCQHGOS-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
BrC[C@@H](CN[C@@H](c1ccccn1)C1CC1)C1CC1	932387522	ZKNCCUDEKHVSLM-DZGCQCFKSA-N	309.251	3.543	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCCC(F)(F)F)cc1	1116646738	OEUFJKZTCNDBIQ-UHFFFAOYSA-N	302.296	3.534	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1cc(F)ccc1F	1318440714	GASNXROCUBWWOH-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(C(C)(C)C)nn1)CC(C)(C)C	1321937613	QCNBKHBXOAKGJY-GFCCVEGCSA-N	306.454	3.680	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccc2Cl)cc2cccnc12	1342196363	YOYJHLYERFARHE-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2c(F)ccc(C(=O)O)c2F)sc1C	1777489220	DLWLTIDIYXVBHT-WEVVVXLNSA-N	320.320	3.801	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNc1ncccc1Cl	114882815	WMQRHZVOGKDEPF-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C1CCCCC1	124559669	UTBZOADTJSDKJQ-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(F)cc1	128650013	LWUOTLLXRXFHRY-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccncc3Cl)csc2C1	154447008	HXUPTVDCAQHHFZ-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	158311970	BEQRWCOLNFIIQM-GHRIWEEISA-N	306.365	3.999	50	20	DHGD	
Cc1cnc(NC(=O)NNc2cccc(C(F)(F)F)c2)s1	170697979	TWBIHVNEYPZGMQ-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1OC	170933611	RYJPUGNJKAUPGX-UKTHLTGXSA-N	313.378	3.864	50	20	DHGD	
O=C(Cc1ccccc1F)NNc1ccc(Cl)cc1Cl	178878233	FNZAKJHYISUWOE-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c(C)cc(C)nc2Cl)c1	182285946	TUINKCVSXXJKKP-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@H]1CCCC(F)(F)C1	282598967	WEKDYDYSHSZQHX-VIFPVBQESA-N	322.277	3.974	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(C)s1	731150904	PINBYLVNHNAMHD-UHFFFAOYSA-N	300.427	3.875	50	20	DHGD	
Cc1cccc(NNC(=O)CCCCCc2ccc(O)cc2)c1	731784135	HXWDSEZCFNCMQB-UHFFFAOYSA-N	312.413	3.947	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@@H]1c1ccccc1	732532829	SQXSMYHREWLZJZ-OAHLLOKOSA-N	308.381	3.749	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CNC(=O)NNc1cc(F)c(F)cc1F	734663888	NWWUJBBDEYRQCJ-NXEZZACHSA-N	315.339	3.556	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccc[nH]1)c1ccc(Cl)cc1	740760702	JXTTUCUIQFBWKC-UHFFFAOYSA-N	303.793	3.848	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cncc(F)c1	741463099	YSIAKJGPUKKEHB-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)CCOc2ccccc2)c1	748402638	PANDMEKBYKDDHT-INIZCTEOSA-N	312.413	3.852	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)COc1ccc2ccccc2c1	748562357	GVGFNZXSSAEUFK-UHFFFAOYSA-N	324.355	3.809	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2cc(OC)cc(OC)c2)CC1	751520556	HECWWXNCWZINEL-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
Cc1ccc(SCC(=O)NN=CC(C)(C)CCC#N)cc1	755566422	LAVNXCLHGXTVML-UHFFFAOYSA-N	303.431	3.519	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ccc(Cl)cc1)CC2	762899574	UMSXTXBYBZQPIM-HNNXBMFYSA-N	316.788	3.522	50	20	DHGD	
Oc1nc([C@@H]2CC[C@H](Br)C2)nc2cccc(F)c12	765982651	OYAKOFZWDUEGNL-SFYZADRCSA-N	311.154	3.506	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3cc(C)ccc3F)n[nH]2)cc1	768231243	LHIFAIHPRXCTDD-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CC[C@H](CC(=O)NNc1nc2ccccc2[nH]1)c1ccc(C)cc1	768507207	OINXQDGIJAWQRS-CQSZACIVSA-N	322.412	3.898	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(COc2ccccc2)cc1	773146788	CLRFOXACJBMJHW-DTQAZKPQSA-N	322.364	3.648	50	20	DHGD	
COC1CCC(C(=O)NNc2cc(Cl)ccc2Cl)CC1	780950049	AMFFOTCLBNCBFT-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)C2CCCC2)c(-c2cccs2)n1	781555915	RVLRTSRXGWKXPR-LCYFTJDESA-N	311.410	3.815	50	20	DHGD	
CCC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1	794780449	PNOHNJAAOHYSDS-UHFFFAOYSA-N	319.364	3.886	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(OC(C)C)cc1	795321204	TWEUGJJPEQENMI-UHFFFAOYSA-N	313.191	3.582	50	20	DHGD	
CCCCn1cc(C(=O)NNc2c(C)cccc2CC)c(C)n1	799757893	NOMDGWPTSYLXIK-UHFFFAOYSA-N	314.433	3.619	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1C(=O)OC	800790834	ANOHUNZLOALPBE-YRNVUSSQSA-N	303.358	3.541	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802014716	VVWNUNFWPFQTEK-FZMZJTMJSA-N	323.824	3.709	50	20	DHGD	
Cc1c(NNC(=O)c2ccc3c(c2)CCC=C3)cccc1[N+](=O)[O-]	802830057	HETCEVCCFYRPPO-UHFFFAOYSA-N	323.352	3.620	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1ccc(Cl)c(F)c1	802833128	YZNIHJNHUIZIPK-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@H]2CC)cc1OC	807957254	ZMMPURLEUQHMLF-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
Cn1ccc(NC(=O)/C(C#N)=C/c2ccc(C3CCCC3)cc2)n1	812243287	IPPVQQVDABGSGK-SFQUDFHCSA-N	320.396	3.623	50	20	DHGD	
COC[C@@H](C)[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	813051368	MDQOVZOKXKVNOA-NEPJUHHUSA-N	317.341	3.572	50	20	DHGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNc1cccc(Cl)n1	814308341	KVLBZZUCUKYOSK-VXGBXAGGSA-N	318.808	3.553	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2cccc(Cl)c2)CCC1	816604662	RUADJHLEZVXNLY-UHFFFAOYSA-N	306.620	3.682	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)OC2CCCCCC2)cc1	817899866	RTKMULXPHHIBQP-AWEZNQCLSA-N	320.433	3.656	50	20	DHGD	
Cc1ccc(Oc2ccccc2)c(NC(=O)NN(C)C2CC2)c1	824224760	LMINZDPELUYOQX-UHFFFAOYSA-N	311.385	3.918	50	20	DHGD	
Cc1cc(F)c(C(=O)NNc2cccc3c2CCCC3)c(F)c1	830801400	DSYNOWNAFCMUAI-UHFFFAOYSA-N	316.351	3.909	50	20	DHGD	
COc1ccc(-n2cc(/C=C(/C#N)C(=O)C3CCCC3)cn2)cc1	834434255	FISRAYCHXRHNCG-YBEGLDIGSA-N	321.380	3.547	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)cc1	837059517	VFNZQICCZRRGGT-CJNGLKHVSA-N	316.445	3.895	50	20	DHGD	
O=C(NNc1ncc(F)cc1F)c1ccc(C2CCCC2)cc1	837208137	HJZDFIUNUBTZFY-UHFFFAOYSA-N	317.339	3.774	50	20	DHGD	
CCOc1ccc(C[C@H](C)C(=O)NNc2ccccc2C)cc1	839487835	WLFLWXDEDUABKB-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccncc1Cl	857082589	OXQOPLCGATULPR-KPXOXKRLSA-N	303.631	3.559	50	20	DHGD	
Cc1cc(C)c(C(=O)NC[C@]2(C)C[C@@H]2Br)c(C)c1	857689006	IQBHNKLLONZSGL-WFASDCNBSA-N	310.235	3.515	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2ccc(F)cc2F)cc1	876993474	HVXZQJRYIADEFO-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(C)cc1	916244243	OCOAMIOHNKNIGM-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CCOC(=O)NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1	921252028	XMXDRRXKWNDNMF-UHFFFAOYSA-N	320.295	3.837	50	20	DHGD	
CC(C)(CO)[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1123856892	YMPAQGJBGMVOMA-GPANFISMSA-N	323.864	3.660	50	20	DHGD	
Cn1nc2ccccc2c1C(=O)NNc1ccc(C(C)(C)C)cc1	1338276570	MPVUASPXNYMVHV-UHFFFAOYSA-N	322.412	3.628	50	20	DHGD	
CCn1cncc1COC(=O)CCCC[C@@H]1CCSS1	1345591756	VPVUBXAMMDVPFX-CYBMUJFWSA-N	314.476	3.660	50	20	DHGD	
CCN(C(=O)C1CCC(Cl)CC1)[C@H]1CCOC(C)(C)C1	1347597261	SGCFLSDWEKLAQF-RUXDESIVSA-N	301.858	3.590	50	20	DHGD	
O=C(Nc1cccc(COc2cccc(F)c2)c1)[C@@H](F)Cl	2088604356	GPGMZASRAVQXBB-CQSZACIVSA-N	311.715	3.878	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC)c(OC)c2)c1	7211301	YHGKAHADKXJMQK-OQLLNIDSSA-N	323.348	3.502	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1C	59269568	GRCNYRDPWGQWNY-CPNJWEJPSA-N	304.393	3.569	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(F)c1F	78561033	XFRJTCNUQNKYMG-XFXZXTDPSA-N	314.291	3.519	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)Nc1ccc(F)cc1F	83056737	JEUNANOWWIJKOU-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ncccc1C(F)(F)F	92252567	SSYFRRAJLAGEIU-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
C[C@@H](NC=C(C#N)C#N)c1ccc(OCc2ccc(F)cc2)cc1	103057544	KZNMCDJCFVYZFZ-CQSZACIVSA-N	321.355	3.986	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc2cc(Cl)ccc2[nH]1	114885895	DRQBAFORHZIDGY-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1ccccc1NNC(=O)CCc1ncc(-c2ccccc2)o1	119567752	CSUVADLFLYKCDK-UHFFFAOYSA-N	321.380	3.726	50	20	DHGD	
C[C@H](Oc1ccccc1)C(=O)NNc1ccc(C(F)(F)F)cc1	153624995	WJNIGHYOMPQVIQ-NSHDSACASA-N	324.302	3.616	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cc2ccccc2s1	154846003	ZGRMJVFIYNBKOI-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc3cn[nH]c23)cc1	181156119	OFXWHHXNVRWOTR-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2c(s1)CCC2	181275091	TXJUXPUWSJVZGD-UHFFFAOYSA-N	323.421	3.850	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2)c1	254860429	MSAAFIXODUWHQO-UHFFFAOYSA-N	310.397	3.648	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1OC	280048051	NAESKERAFURYBU-JYRVWZFOSA-N	317.385	3.625	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC[C@@H]2CCCO2)cc1	726430039	WZWALVJHHKMNDP-XMDNHAFTSA-N	313.397	3.767	50	20	DHGD	
CCCn1cccc1C=NNC(=O)c1c(Cl)cccc1Cl	727779301	WNRSLVIBDOPTIA-UHFFFAOYSA-N	324.211	3.969	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)CNc1ccc(C)cc1C	729636572	MHRGJIMOYRXZMU-UHFFFAOYSA-N	315.442	3.512	50	20	DHGD	
CC(=NNC(=O)NCc1ccco1)C(C)(C)c1ccc(F)cc1	734979256	FSHWXGJPKJYERP-UHFFFAOYSA-N	317.364	3.572	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc4c(c3)CCO4)[nH]c12	735620015	SUFLUNUATNSXMQ-XNTDXEJSSA-N	301.349	3.870	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1ccc(F)cc1Cl	747052895	PCEKVSRTSPFWFY-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1ccccc1C	747362067	LCRLXDYTWXCDEG-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CCC(=NNC(=O)c1cccc2cccnc12)c1cccs1	747362200	RKSPKWVOUANYGQ-UHFFFAOYSA-N	309.394	3.840	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)OC)[nH]2)cc1	748440693	MHNPUONZLYTIAB-RVDMUPIBSA-N	322.364	3.544	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)CCC(C)(C)C)c1ccccc1	754262241	MFAXPFCRADOBQE-ZBFHGGJFSA-N	318.461	3.790	50	20	DHGD	
C[C@H](CC=NNC(=O)CCN1CCCCCC1)c1ccccc1	755580011	XDSLESQGCLZQED-QGZVFWFLSA-N	315.461	3.548	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1c(C)cc(C)cc1C)CC2	762139328	OXCWUFOGSHXXEO-KRWDZBQOSA-N	324.424	3.794	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)OC[C@@H](C)CBr)cc1	770365081	KNLDVJRDKFIFKY-LBPRGKRZSA-N	313.235	3.847	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cc(F)c(F)cc2F)c1C	778230903	FAALQTOVPOJISY-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)C1CCCCCC1	781067856	CXJOOKBPKADWBG-LBPRGKRZSA-N	304.272	3.977	50	20	DHGD	
O=C(NN=Cc1scnc1C1CC1)c1cccc2ccccc12	782233356	WJWJZRGPSGPHKW-UHFFFAOYSA-N	321.405	3.938	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)Cc1cccc2ccccc12	788185488	ZAXNVVIDQCZILC-UHFFFAOYSA-N	324.355	3.673	50	20	DHGD	
CC(C)=CCNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	791010119	DSPVPANHTCMWBE-ZDLGFXPLSA-N	313.445	3.750	50	20	DHGD	
CSSCCNC(=O)CSc1cc(C)ccc1C	791100698	UPIOAKLVACFTFI-UHFFFAOYSA-N	301.502	3.523	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)c(F)c1)c1ccccc1F	794861494	XWFIVRNLNVSVOX-MTSIVMMLSA-N	304.271	3.533	50	20	DHGD	
CCCc1sc(C(=O)NNc2ncccc2F)cc1CC	804218184	PQCKHECQHZMFAL-UHFFFAOYSA-N	307.394	3.554	50	20	DHGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cn1	812245834	YYDOIJVKYBWPMN-XCVCLJGOSA-N	303.680	3.846	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)ccc1O	812767929	WQNMWZNRKJLYHR-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
Cc1ccn2cc(C(=O)NNc3c(C)cccc3C(C)C)nc2c1	812768490	VNKHIYBGTGMSQV-UHFFFAOYSA-N	322.412	3.831	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2)c(F)c1	815005263	SEHNYGBXFICMDS-UHFFFAOYSA-N	316.723	3.506	50	20	DHGD	
CCC(C)(C)OCc1cccc(NC(=O)NN(C)C2CC2)c1C	824226593	XTLOKZFJSDVZGB-UHFFFAOYSA-N	319.449	3.831	50	20	DHGD	
CC[C@@H](C)CC=NNC(=O)c1ccc(F)cc1Br	834941650	JBKKTSUOGJYFPF-SECBINFHSA-N	315.186	3.740	50	20	DHGD	
CCCCCCO[C@@H](C)C(=O)NNc1ccc(F)c(F)c1F	839633572	UNJPURVADYESOT-JTQLQIEISA-N	318.339	3.532	50	20	DHGD	
CCc1nn(C)cc1/C=C(/C#N)n1c(C(C)C)nc2ccccc21	840723293	VMPIYZMVMJBYPH-GDNBJRDFSA-N	319.412	3.977	50	20	DHGD	
Cc1nn(C)c2ncc(/C=C(\C#N)c3nc(C4CC4)cs3)cc12	843272735	MWNWKLUUJIKOCY-WLRTZDKTSA-N	321.409	3.675	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1ccc(Cl)cn1	856091615	QYVRQCJZEFMBKR-UHFFFAOYSA-N	315.804	3.762	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1F	856231689	IMFRVPGRGLZRNV-LBPRGKRZSA-N	305.180	3.551	50	20	DHGD	
C[C@]1(CNCc2ccnc(Cl)c2Cl)C[C@H]1Br	856808718	DJGOHYNESNKAJC-LDYMZIIASA-N	324.049	3.652	50	20	DHGD	
C[C@@]1(CNC(=O)c2csc3ccccc23)C[C@@H]1Br	857400740	CKPXOIDBVSZEJM-JSGCOSHPSA-N	324.243	3.805	50	20	DHGD	
C[C@H](CO)N(C)N=Cc1cccc(S(F)(F)(F)(F)F)c1	905483352	HLBUOTBGEGNOEY-SECBINFHSA-N	318.311	3.991	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(F)c(F)c2)cc1	916345868	PXXJKKLQGYNKNR-UHFFFAOYSA-N	320.364	3.516	50	20	DHGD	
COc1ccc(/C=C/C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	917369421	GJRJSQZCJLHMIP-BJMVGYQFSA-N	313.309	3.531	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1	7068959	NUUAZNASKWQXAS-UKTHLTGXSA-N	312.756	3.894	50	20	DHGD	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccc(F)c(F)c1F	46485590	FBEJGGCSCNWQOE-UHFFFAOYSA-N	301.271	3.942	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1nc(-c2ccccc2)cs1	60370870	YXZLDSWTKAZWEK-UVTDQMKNSA-N	311.410	3.633	50	20	DHGD	
CCO/C=C(C#N)\C(O)=N\c1cccc2c1CN(CC(C)C)C2	92408035	RQBIXGRCHLDUQN-QINSGFPZSA-N	313.401	3.690	50	20	DHGD	
C/C(=C\C(=O)NNc1c(Cl)cc(F)cc1Cl)C1CC1	126311694	ZJLDSYWAKDVLLJ-QPJJXVBHSA-N	303.164	3.932	50	20	DHGD	
CCC(=CC(=O)NNC(=O)c1c(Cl)cccc1Cl)CC	128262764	VMAPLULPRKTKGO-UHFFFAOYSA-N	315.200	3.501	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ncc(Cl)cc2Cl)C1	132897381	AGNYUPIDEWKCMM-RKDXNWHRSA-N	302.205	3.658	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCCOc1ccc(F)cc1	161075491	ITVSUENRJZBQET-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2c(c1)CCC2	181287848	WHQYUOLQYLYHRO-UHFFFAOYSA-N	317.392	3.789	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1cccc2cccnc12	185287492	MZCDFMNVZZCDSK-UHFFFAOYSA-N	324.359	3.509	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)NCc1ccco1	208877460	AMFQYLZGJPESPU-RAXLEYEMSA-N	320.348	3.812	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1OC(F)F	265152509	QTVRFWOKUVUVPQ-CEXMDJMXSA-N	309.312	3.819	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2cccc3c2CCCC3)c1	269612369	OXELKHIVSVFQTC-UHFFFAOYSA-N	308.381	3.525	50	20	DHGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NCC(Cl)Cl	288139657	FOALYKJMYLBXAS-VIFPVBQESA-N	314.134	3.643	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(F)c(F)c(F)c1	588430839	KBRKNDBYIIEUJF-YHYXMXQVSA-N	320.245	3.789	50	20	DHGD	
CCS[C@H](C(=O)NNc1ccccc1C(F)(F)F)C(C)C	727367857	FMZCHIBQEZQIGX-LBPRGKRZSA-N	320.380	3.926	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](CC)c2ccccc2)cc1	728800690	CMKCEFAJEFWGBA-INIZCTEOSA-N	324.424	3.594	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)CNc2ccc(C)cc2C)C1	734977952	OEBQQMJWENNYTF-HNNXBMFYSA-N	301.434	3.788	50	20	DHGD	
C[C@H](C=NNC(=O)c1cn(C)c2ccccc12)c1ccccc1	744781236	TVAZSXXDSRXMME-CQSZACIVSA-N	305.381	3.698	50	20	DHGD	
CN(NC(=O)NCc1cccc2ccccc12)c1ccccc1	746221743	JXSCCFSRXQZZDL-UHFFFAOYSA-N	305.381	3.690	50	20	DHGD	
CN(NC(=O)NCCCc1cccc(Cl)c1)c1ccccc1	746231595	NLKUIICVIOVFPW-UHFFFAOYSA-N	317.820	3.623	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccccc2F)o1	748056149	BCCMLSDTTDJGBF-AAEUAGOBSA-N	302.349	3.618	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)COc1ccccc1C(C)C	748571500	AFTROHGLZKXUHQ-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccc3c(c2)nnn3C)n1	751034747	CKHWPWHQHVUOLB-WUXMJOGZSA-N	309.398	3.612	50	20	DHGD	
Cc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)c1	751537957	KNQLRWQJPIRFNZ-PDGQHHTCSA-N	322.383	3.708	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](C)COC	755148994	JMKHFZIVDMXVTD-GFCCVEGCSA-N	320.458	3.996	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@@H]2CCc3ccccc32)cc1	755567088	SWQMBOREKQSDRO-INIZCTEOSA-N	324.449	3.919	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2cc[nH]n2)s1	762135846	BMRAGTVVRAPVJE-UHFFFAOYSA-N	318.789	3.549	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc(Cl)c1F	764323424	AHFJNOVPPHWPLE-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)cc1	769607126	ZYCLOLQTJWKTEL-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2cccc3c2CCCC3)c1	769925537	PNPGMIJCKZZWPK-UHFFFAOYSA-N	306.369	3.586	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1(Cc2ccccc2)CCC1	771696964	DXNLRYJKBSTAIO-UHFFFAOYSA-N	312.388	3.990	50	20	DHGD	
N#Cc1ccc(NNC(=O)C[C@@H]2C=CCCC2)cc1C(F)(F)F	779011952	NETHLPVASGOULS-LLVKDONJSA-N	323.318	3.767	50	20	DHGD	
Cc1ccc(F)c(NC(=O)[C@@H](Br)C(C)(C)C)c1	781070621	NLXCITXTKVVHIW-LLVKDONJSA-N	302.187	3.882	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCCCOc1ccccc1	785343753	HIHZDYWDGWENGW-VKAVYKQESA-N	307.349	3.606	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	786042795	JRUYSTOENRSWIQ-ALCCZGGFSA-N	324.616	3.946	50	20	DHGD	
C[C@@H](CCNC(=O)/C(C#N)=C/c1ccc(O)cc1)CC(C)(C)C	787569758	LOTOWICXQHBPGY-LUYJPIOASA-N	314.429	3.878	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)[C@@H](C)c1ccc(Cl)cc1	794497706	URNKOKUGBGUQOO-MRVPVSSYSA-N	306.715	3.888	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccsc1	802386071	DGXGDBJXRPBJHT-SSDOTTSWSA-N	315.320	3.553	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1ncccc1F	804218074	OBPGJRXCSFLZLN-CHWSQXEVSA-N	313.376	3.653	50	20	DHGD	
C[C@@H](C(=O)N(C)CC(Cl)Cl)c1ccc(Cl)s1	808246457	CMEWLMNRMVSPSS-ZCFIWIBFSA-N	300.638	3.767	50	20	DHGD	
CC1(C)CN(CCO[Si](C)(C)C(C)(C)C)[C@@H]1[C@@H]1CCCO1	810027213	JJXJJDXNILDCAV-LSDHHAIUSA-N	313.558	3.898	50	20	DHGD	
CCCC(=NNC(=O)c1cc2ccccc2o1)c1cccnc1	814866906	JTVUFQGZDCNNBC-UHFFFAOYSA-N	307.353	3.762	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)c1ccc[nH]1	814996529	QKYDFVNYLAWGTD-UHFFFAOYSA-N	311.172	3.867	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@H]2CCc3ccccc32)cc1	814998067	RNZSSUICWHWJAQ-CQSZACIVSA-N	309.369	3.533	50	20	DHGD	
CC(F)(F)c1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	815984391	MVHHVNNYRIVUNT-UHFFFAOYSA-N	311.719	3.604	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3cccc(Cl)n3)c2c1	817006178	ZIRKSMJQMAFYIK-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CC1(C#N)CCCCC1	831755507	IUJNZEUKDDTHOI-UHFFFAOYSA-N	322.412	3.851	50	20	DHGD	
CC(C)(CC(=O)NNc1cc(Cl)ccc1[N+](=O)[O-])C1CC1	833774323	PMHNPXBMYBJXTO-UHFFFAOYSA-N	311.769	3.518	50	20	DHGD	
CC(C)(CC(=O)COC(=O)/C(C#N)=C\c1ccccc1)C1CC1	837680574	ZODFSWQROPMBPL-GDNBJRDFSA-N	311.381	3.532	50	20	DHGD	
C[C@H](CCCc1cccnc1)NC[C@@]1(C)C[C@H]1Br	852161607	QZNNYZHGGMZRCR-BPLDGKMQSA-N	311.267	3.556	50	20	DHGD	
CCC[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)c1ccccc1	857408037	OMQJGBSZCJBFDM-LZWOXQAQSA-N	324.262	3.860	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)c2ccccc2C(F)(F)F)n1	862523074	QLQPPWBQIRVLAA-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(F)c(Cl)c1	863082344	JKZKQTGSNHXURJ-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
CN1/C(=C/C=NNC(=O)C2CCCC2)C(C)(C)c2ccccc21	914836753	WYRQJUGYLCVELT-AQBHWCKDSA-N	311.429	3.590	50	20	DHGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1ccc(C)o1	916345879	GRBKCDATQLHLEH-UHFFFAOYSA-N	320.389	3.750	50	20	DHGD	
C[C@@H]1[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CCC[C@H]1C	916650320	CQHBQHZYURFEKN-QUUTXRGPSA-N	300.377	3.674	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)c1c[nH]c2ccccc12	921251083	ASLXYLNYQCZUKV-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(F)c(F)c1	1248411180	UKBZUXGFNSMNFY-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cncn1-c1ccccc1	1317865949	GAEALEHGMRGMQS-CQSZACIVSA-N	312.417	3.804	50	20	DHGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3cccc(C)c3)c2c1	1319381355	LBVVHBOMYUQUIG-UHFFFAOYSA-N	309.369	3.550	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C)c3ccccc3n2)cc1	1330460723	BTVRUDVDGHTBCP-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C/C(=O)O)o1)c1nc(C2CC2)cs1	1777566128	QAFQTTXHWPABGR-VLHCFCLRSA-N	312.350	3.775	50	20	DHGD	
Cc1cccc(C(=O)NN=C(c2ccccc2)c2ccccc2)n1	24375898	STWQRJYAYVCKGN-UHFFFAOYSA-N	315.376	3.572	50	20	DHGD	
CCCOc1ccc(C(=O)NNc2ccccc2)cc1OCC	70716400	CYMBRVGOQXJSLN-UHFFFAOYSA-N	314.385	3.631	50	20	DHGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCCO2)c1ccccn1	96883961	KOUIROPIGJCSAT-JYRVWZFOSA-N	312.756	3.960	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2[nH]c(C)c(C)c2c1	119030368	KEQRLZPNNRAQOC-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccccc2)s1	119902451	NMSCHUBCLOTLFP-JYRVWZFOSA-N	302.362	3.582	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1C[C@H]1c1ccco1	123417075	IGQGPJGOGIISQC-NXEZZACHSA-N	310.275	3.545	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3cccc(F)c3)cc2C1	154084370	OPLXPRFBDAODHT-JTQLQIEISA-N	304.390	3.769	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2ccccc2Cl)c1	158566736	VTDYGBKSNZAOHL-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1	158664153	NOPQHWRALRIXQG-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(F)cc(C(F)(F)F)c2)cc1	158761848	CTDGUDBUKVJMLL-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CC(C)(C(=O)NNc1ccncc1Cl)c1ccccc1Cl	158997731	QCTJWTYVEABIBZ-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c1	172215496	UYKIIJCUCJSFGA-VGOFMYFVSA-N	309.296	3.653	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-n2cccc2)cc1	184348241	VJFDRLPKHFICBD-UHFFFAOYSA-N	309.344	3.682	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)CCCC)cc1	192097772	MPCGCBDPBUESQM-GHRIWEEISA-N	321.442	3.945	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	274566889	DQQUIVYINPDVAR-QWRGUYRKSA-N	318.314	3.946	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c(F)ccc(O)c1F	490698203	RPPOHSMFDXSGCJ-FLIBITNWSA-N	314.291	3.525	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H]2c2ccccc2)c(O)c1	732528571	PYUDGZSHFULSCC-HNNXBMFYSA-N	308.381	3.754	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(N)cc1	741462537	IWUSSLIMOUJCRT-UHFFFAOYSA-N	303.365	3.576	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)Nc1ccccc1C	743822142	GCBYPIJWHDCBID-CYBMUJFWSA-N	305.422	3.754	50	20	DHGD	
COc1ccc(C)cc1C=NNC(=O)c1cc2ccccc2o1	749817664	MWFINQHXSGKJFO-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccncc2)C[C@H](c2ccccc2)C1	749853274	ICVGAMSZXKLHJC-RHSMWYFYSA-N	307.397	3.771	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)c2ccccc2C)cc1	755056371	NTIXTGJEWPJVLS-CYBMUJFWSA-N	310.397	3.583	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1ccc(Cl)nc1	756790902	WCLBIKGINQHNLL-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCC[C@H]1C(C)C	764657797	FRHLSFNZGZIJJS-AWEZNQCLSA-N	312.417	3.575	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@@H](C)[C@@H](C)C1	767355151	CXFRXMADAIBFBZ-MNOVXSKESA-N	308.809	3.891	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1c(C)nc2ccccn12	769567100	MPUNGZBTNKXKBD-GXTWGEPZSA-N	312.417	3.575	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)c1cccc(F)c1	770386543	AVMISMBJJJTPQI-NXEZZACHSA-N	303.171	3.503	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1cc(C(F)(F)F)ccc1F	773507391	UJMGOJSNFBBQQI-QMMMGPOBSA-N	324.343	3.819	50	20	DHGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccccc1C(F)(F)F	775776609	IQNLMLFOSBZXQM-FZMZJTMJSA-N	300.324	3.831	50	20	DHGD	
Cc1cc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)cc(Cl)n1	777468478	RBTHYEGGWKVOFT-UHFFFAOYSA-N	320.732	3.788	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H]1C=CCCC1	779012870	WVEJWURFOYHNNV-GFCCVEGCSA-N	323.234	3.947	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc(OC(F)F)cc1	786676445	SBGXLHIUOGHGAJ-XNFYSYIQSA-N	307.296	3.752	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)C1CCOCC1	794957581	FUZNUIAPMGBWJA-ZROIWOOFSA-N	303.789	3.860	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3nccc(C)c3c2)c1	802827212	SESCOVLJTQBNPQ-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)c1	802832144	HHHVTKZVEHDIFG-CSMYWGQOSA-N	320.408	3.884	50	20	DHGD	
CCCCc1ccc(NC(=O)NNc2ncccc2F)cc1	806101561	JIZRSLRGTKNNMG-UHFFFAOYSA-N	302.353	3.712	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(Cl)cn1	815007290	QRBUFJUGMXIVTA-UHFFFAOYSA-N	324.718	3.559	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2)sc2ccc(C#N)cc12	815849993	ULCGSMFIIQQGHG-UHFFFAOYSA-N	307.378	3.838	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2ccc3[nH]ccc3c2)cc1	817908429	HVUFXJMDEGTNOT-UHFFFAOYSA-N	323.396	3.643	50	20	DHGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(Br)cc1	824208520	BVXYFOMDEBDHOC-ZWNOBZJWSA-N	311.223	3.574	50	20	DHGD	
C[C@@]1(CC(=O)NNc2ccc(Cl)cc2)CC1(Cl)Cl	827176697	ZIDIJBALMUBEGD-LLVKDONJSA-N	307.608	3.757	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2F)c(C(C)C)n1	827511192	NYIYVDPFJBPUDZ-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
Cc1noc(C(F)F)c1C(=O)NNc1ccc(C(C)C)cc1	837053520	FLWPQILYVSQAJZ-UHFFFAOYSA-N	309.316	3.801	50	20	DHGD	
CCOc1ccc(C[C@H](C)C(=O)NNc2cccc(C)c2)cc1	839499599	ZFWWQLOVQZBNQQ-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(C)(C)C)s1	846644576	YVJFAALIQNHVFQ-UHFFFAOYSA-N	322.405	3.950	50	20	DHGD	
CC(C)c1ccccc1C(=O)NNc1cc(C(F)(F)F)ccn1	854678751	YSBFVMFJBFBPOS-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Cl)cn2)s1	856092808	HBQAVBUSOZALFE-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccc(Cl)cc2C)c1	857501566	QAVYDVHFTHOQMB-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
CCC[C@@H](OCC)C(=O)NNc1ccnc2cc(Cl)ccc12	863854032	SYMNUXNTVKSIGJ-OAHLLOKOSA-N	321.808	3.537	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(F)cc2Cl)CCO1	885137340	UQVWBMROMVSFEL-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(Cl)cc1	915973861	SPYBHFQPIHKRDY-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1sc2nc(C)nc(C)c2c1C	915976935	LTKKDBQTNDZGFP-QMMMGPOBSA-N	318.446	3.503	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccc(N2CCCCCC2)cc1	916327558	NALFBLCZTSHRSB-UHFFFAOYSA-N	301.434	3.563	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2cccc(F)c2)c(C)c1	916356387	UGRQQCSGWZZEMC-UHFFFAOYSA-N	301.365	3.577	50	20	DHGD	
O=C(CCl)N1CC=C(c2ccccc2C(F)(F)F)CC1	1341523560	DFSHRHDZTBFPOD-UHFFFAOYSA-N	303.711	3.560	50	20	DHGD	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc(CCl)c1	1346922083	QTUCFPUFKMPVDL-CYBMUJFWSA-N	317.816	3.834	50	20	DHGD	
CC(=O)Nc1cccc(NC(=O)C2CCC(Cl)CC2)c1C	1350871726	GNEOERDLERWCLR-UHFFFAOYSA-N	308.809	3.690	50	20	DHGD	
O=C(NC[C@@H]1CCCC12CCOCC2)c1cccc(CCl)c1	1551686564	JTARIKWMKBZMKZ-INIZCTEOSA-N	321.848	3.752	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)o1)C(=O)c1ccc(F)c(Cl)c1	1610619099	QEZISDLOXHJIGF-UITAMQMPSA-N	319.675	3.560	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c(C)c1	5131193	RITNZDOFBSFUKU-MHWRWJLKSA-N	306.365	3.863	50	20	DHGD	
COC(=O)/C(C#N)=C/c1ccc(OCc2ccc(C)cc2)cc1	40007425	HOFPIEKRYZKEQE-GZTJUZNOSA-N	307.349	3.654	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1csc(COc2ccccc2)n1	60421889	ZYTIUIMOZAODFZ-JYRVWZFOSA-N	312.394	3.854	50	20	DHGD	
O=C(/C=C/SCc1ccco1)NNc1cccc(Cl)c1	84967830	OYNUTXKWASFQIJ-SOFGYWHQSA-N	308.790	3.823	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccccc1Br	91983488	ZUDUJHLRGCOYQU-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
Cc1ccc(C)n1-c1ccsc1C(=O)NNc1ccccc1	111554179	YMBKGTFFGRBMIA-UHFFFAOYSA-N	311.410	3.913	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)CC1CCCC1)c1ccccc1	114274495	ZMRUJXVVTWOAFC-RHSMWYFYSA-N	316.445	3.544	50	20	DHGD	
Cc1ccc(NNC(=O)CSCc2cccc(C)c2)cc1	120401129	PSTGGVQIFWZBCD-UHFFFAOYSA-N	300.427	3.680	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccncc1Cl)c1ccccc1	154779401	KYOZVXQNMRZPII-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)Nc1ccccc1F	163240074	DSGZWMFWBDKBPA-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1cccc(F)c1	163739523	JGTFLNVCWDEFLD-UHFFFAOYSA-N	301.365	3.795	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2ncccc2c1	175400506	VAQZNACUQYBLMH-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cccc(F)c2)cc1	181136283	ZJBBIEJYCIYORS-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2ccccc2o1	181148664	HJVVYOUCCIGEJN-UHFFFAOYSA-N	303.321	3.738	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(-c2ccccc2)c(C)c1	186820019	PWGJGCKOHPEVKP-NBVRZTHBSA-N	320.392	3.722	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	212697245	FVRTXTSKOHGAFY-ZSOIEALJSA-N	310.284	3.832	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	280944517	JCWSOROSVINHDP-QRYYFKOISA-N	313.397	3.768	50	20	DHGD	
CCCCOc1ccccc1/C=C(/C#N)S(=O)(=O)CCCC	588588905	VGILKEWAUGQAKL-SSZFMOIBSA-N	321.442	3.945	50	20	DHGD	
CS[C@@H]1CCCCN(C[C@H](CBr)C2CC2)C1	701861196	ABGAUYRFJINUQS-QWHCGFSZSA-N	306.313	3.625	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1[C@H]2CCC[C@H]21	748527679	JGNJEMRHKZPMSU-BWTSREIZSA-N	306.409	3.771	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H](C)Sc2ccc(Cl)cc2)c1	755847026	KNNFCPSJNKMKHM-LLVKDONJSA-N	321.833	3.667	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc(OC(F)F)c2)c(C)s1	760252225	BZYNNTQMCLYWAM-UHFFFAOYSA-N	324.352	3.730	50	20	DHGD	
O=C(C=C1CCSCC1)NNc1cc(Cl)ccc1Cl	772817160	BGIUFBUIUXDFDX-UHFFFAOYSA-N	317.241	3.890	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C2(CC(C)C)CCCC2)c1	780800145	AHNYVVUJYOJKPW-UHFFFAOYSA-N	318.417	3.523	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cccc(F)c2F)cc1	780802940	XLZGNUUXULVWQT-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
C=CCN(CC1CCCCC1)C(=O)/C(C#N)=C\c1ccc(O)cc1	787347414	FWUXDCVGSHVXCR-AQTBWJFISA-N	324.424	3.894	50	20	DHGD	
C=C(CBr)CN1CCSC[C@H]1c1ccccc1	791461448	VBOVMYAQTUFIAJ-AWEZNQCLSA-N	312.276	3.728	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)C1CCOCC1	794953600	OJKLLEDTCMXTKG-JXAWBTAJSA-N	324.424	3.580	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C1CCC12CCC2	799874555	QIGNXRQUHZACEP-UHFFFAOYSA-N	308.381	3.655	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)C2CCCCC2)cc1C(=O)OC	800791443	OUJKGQIYDDIRJW-LCYFTJDESA-N	315.369	3.685	50	20	DHGD	
C[C@H](C(=O)N(C)CC(Cl)Cl)c1ccc(Cl)s1	808246456	CMEWLMNRMVSPSS-LURJTMIESA-N	300.638	3.767	50	20	DHGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	809145778	FYQWQSICDIQJBD-LDADJPATSA-N	313.397	3.516	50	20	DHGD	
COc1ccc(NNC(=O)/C(C)=C\c2cccc(Cl)c2)cc1	810345742	ONFDOUZCABKFDE-BENRWUELSA-N	316.788	3.895	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(Cl)o3)cc2C1	814759915	SIEYZMJRMKRPFM-SECBINFHSA-N	322.817	3.883	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@@H]1C1CCC1	814790016	MTCCSJQEDREGOR-GFCCVEGCSA-N	306.793	3.645	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2cc(Cl)cc(Cl)c2)o1	816472437	DPYCALIYBWNEQF-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	819747939	ONPRSGURWBHZHV-MRVPVSSYSA-N	300.189	3.578	50	20	DHGD	
C#Cc1cccc(CNCc2ccc(OCCCCl)cc2)c1	825226547	JCFHONAUGWPNEY-UHFFFAOYSA-N	313.828	3.965	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cn(C)nc2C(C)C)c(Cl)c1	836587346	DLKBUZCLIOLXEN-UHFFFAOYSA-N	321.812	3.654	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccco2)c(C2CCCCC2)n1	840723279	VHCRXJOCWOHJBV-GXDHUFHOSA-N	309.369	3.851	50	20	DHGD	
CO[C@H](C=NNC(=O)c1ccc(Cl)cc1Cl)CC(C)C	841614896	SLJQNINBEFXOAT-NSHDSACASA-N	317.216	3.770	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CCCn1ccnc1	844348734	CUDXXEKZZXYCDF-MRXNPFEDSA-N	323.557	3.759	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1cccc(C(C)(C)C)c1	847956920	GHTBVXGHECLAOR-UHFFFAOYSA-N	312.417	3.654	50	20	DHGD	
Cc1noc(C)c1CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852521980	DFLPDNAZTVJWBW-AWEZNQCLSA-N	310.514	3.888	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@H](C(F)(F)F)C1)OCC(F)(F)F	853427787	QMMSPSUKVVJKCQ-YUMQZZPRSA-N	320.233	3.629	50	20	DHGD	
CC(C)(C)[C@@H]1C[C@H](NC[C@@]2(C)C[C@@H]2Br)CS1	857063035	HFPPQCPDVQWAPA-MRBYEJRBSA-N	306.313	3.670	50	20	DHGD	
C=C[C@H](CC(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccccc1	857396208	ZLJPTCUYWARSCA-IVMMDQJWSA-N	322.246	3.636	50	20	DHGD	
C[C@]1(CNC(=O)CCC2CCCCC2)C[C@@H]1Br	857401939	BTHXHBMOUIOQNC-GXTWGEPZSA-N	302.256	3.637	50	20	DHGD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@]1(C)C[C@H]1Br	906710927	QSCGKCTXKUBGKA-UZMCECQYSA-N	322.246	3.565	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	916337581	CHTWOGJQPBIYTK-QCPWZWHMSA-N	321.424	3.639	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1cc(C)sc1C	917555731	GTLGLEJGJROKTA-UHFFFAOYSA-N	302.399	3.533	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(N2CCCCCC2)cc1	935615845	XJQIBSLQXDORLF-UHFFFAOYSA-N	324.428	3.527	50	20	DHGD	
O=C(NCc1cccc2cccnc12)C1CCC(Cl)CC1	1348713571	ZMSVXLHDDGLDPY-UHFFFAOYSA-N	302.805	3.649	50	20	DHGD	
CCCC(=NNC(=O)Nc1ccc(C(=O)O)cc1)C1CCCC1	1776045367	ARANKELBJKFNSE-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)c2ccc(C(=O)O)cc2)C1	1776100667	UIOUJFGGFCRGTP-ZDUSSCGKSA-N	316.401	3.707	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(N3CCCCCC3)nc2)c1	75698403	CISDMTFAQVOXEC-UHFFFAOYSA-N	324.428	3.527	50	20	DHGD	
C[C@@H](C(=O)NNc1cccnc1Cl)c1ccc(Cl)s1	85682928	PARZWQFJNVJUED-SSDOTTSWSA-N	316.213	3.697	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1ccc(Cl)cc1	120355919	OSWDNLAZGZTQKA-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C	125508973	VVFLHCIGAJKHKK-HWPCKVLBSA-N	300.189	3.639	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1	128490495	UQAIOQJXYJBCBF-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)c1	153741570	GZZSBCWFABGVME-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNC(=O)CC(C)(C)C)s2)o1	180328878	XMYSDXHMWSXLJC-UHFFFAOYSA-N	320.414	3.514	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1	182438093	YIFONHPPISJRBT-OUJLILQFSA-N	324.330	3.544	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)CC)c1C	192631139	PJZAEAKRFAIYIW-HNEYUBDGSA-N	301.434	3.679	50	20	DHGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1cccc(F)c1	193163701	MIEGCDURWYOTQQ-NTCAYCPXSA-N	317.323	3.801	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1OC	212692491	CMMLKEZVQHADKK-ZROIWOOFSA-N	311.312	3.633	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)Nc1ccccc1F	255772127	LIAFEXJZIFHWQW-LFIBNONCSA-N	306.340	3.860	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1c(F)cccc1F	269581811	KKZKESZTEWARBU-ZJUUUORDSA-N	308.353	3.582	50	20	DHGD	
CN(Cc1cccs1)C(=O)[C@@H](Br)C(C)(C)C	274282288	DHZWCIARQTXKCJ-SNVBAGLBSA-N	304.253	3.516	50	20	DHGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNc1c(F)cccc1F	492262381	PVYKKMWYPRNLJE-FNORWQNLSA-N	313.307	3.603	50	20	DHGD	
CCc1ccc(C=NNC(=O)CCCc2ccccc2)s1	731153122	BBWPUHAIZVXCDC-UHFFFAOYSA-N	300.427	3.784	50	20	DHGD	
O=C(NC[C@H]1CCc2ccccc21)NNc1ccccc1Cl	732469027	VLVZZKGCWJTWBA-CYBMUJFWSA-N	315.804	3.696	50	20	DHGD	
C[C@H]1C[C@H](C)CC[C@@H]1NC(=O)NNc1cc(F)c(F)cc1F	734671413	QZTIKXWOPCBKEV-ZDMBXUJBSA-N	315.339	3.555	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)CNc2ccc(C)cc2C)C1	734977953	OEBQQMJWENNYTF-OAHLLOKOSA-N	301.434	3.788	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)Nc2ccc(N(C)C)cc2)c1	741766508	DZMFCNAHFPGHSG-UHFFFAOYSA-N	310.401	3.525	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cc(Cl)ccc1O	744775962	KRVGDCDNNPVYIU-IXOXFDKPSA-N	318.804	3.588	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)[C@@H](C)c1ccccc1	746368659	HYKQUEXWGMJMRX-LLVKDONJSA-N	301.777	3.644	50	20	DHGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1(C)C	746706496	AAZVRKMSLIGJSQ-GWCFXTLKSA-N	312.335	3.785	50	20	DHGD	
O=C(NN=CC1=Cc2ccccc2OC1)c1cc2ccccc2o1	749823078	HWTDIPKGADYRPI-UHFFFAOYSA-N	318.332	3.624	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2cncc3ccccc23)c1	765605880	XGHVHQYICFRHLJ-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc(C#N)cc2)C[C@H]1c1ccccc1	768483269	NWZPYILXFCBMGE-KRWDZBQOSA-N	317.392	3.858	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)nc1)c1ccccc1Cl	769150845	OAWQTTGZTYYUCQ-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)s1	773103085	KSQZKOVQHYKIGI-LLVKDONJSA-N	322.817	3.628	50	20	DHGD	
CSSCCNC(=O)CCOc1ccc(C(C)C)cc1	791100596	SPUVPCCEGZVCBD-UHFFFAOYSA-N	313.488	3.706	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cc(-c3ccccc3)on2)cc1	794782480	SKGDZYIGKJNXNN-UHFFFAOYSA-N	319.364	3.668	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1coc(C(C)C)n1	799472791	XRZXTTONHBAYNW-UHFFFAOYSA-N	319.792	3.534	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC(C(F)F)CC2)cc1	799477435	AQSMOTCPJHPUOR-UHFFFAOYSA-N	324.371	3.555	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)/C=C2/CC[C@H](C)C2)c(Cl)c1	802050897	NDFQFMKFCZTVOT-JMZICWNOSA-N	321.808	3.548	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)Cc1ccco1	813035851	KTZFYHVHMCSWIE-CQSZACIVSA-N	315.417	3.969	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CCC1)C12CC3CC(CC(C3)C1)C2	814728659	FLGNVHMLXPSUMN-SFIVQVFOSA-N	300.446	3.885	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C[C@@H]2CC=CCC2)c1	814990879	IYFFCLRWNMVBLX-LLVKDONJSA-N	307.781	3.812	50	20	DHGD	
CSSCCNC(=O)c1cc(Cl)c(F)cc1Cl	816602843	OOAITOAOPLTDOQ-UHFFFAOYSA-N	314.234	3.874	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1cccc(Cl)n1	817008646	AWRXVGXDTDJNKK-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1cccc(Cl)n1	817009719	WXLDAXIPGKTLLC-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
O=C(NN=Cc1cccc2cccnc12)c1cccc(Cl)c1	818227508	FLFDUGQRZIQHAV-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747818	XNBUIPJHLYNNMM-VIFPVBQESA-N	302.205	3.658	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCC2(CC1)CC2	822386803	DQEMRLCWLUNVDI-UHFFFAOYSA-N	323.780	3.662	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCC[C@H]1c1ccccc1	827973113	GEQWYQNEGYHMDO-GJZGRUSLSA-N	315.804	3.762	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ncccc2C(F)(F)F)cc1	837052366	DEIDOBKDAQCPIP-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@H](C)c2ccc(C)s2)cc1	837818997	GJORLUKUJCPBOU-GFCCVEGCSA-N	319.430	3.843	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1SCCCS1	841430363	SXDWPTZKXMBLGS-UHFFFAOYSA-N	323.270	3.633	50	20	DHGD	
CCCN(N=C(C)c1cccc(OC)c1O)C(=O)OC(C)(C)C	844597714	WAUABUSIPLDZAT-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	846079862	AZBLHYPDSYYZKC-UHFFFAOYSA-N	313.323	3.846	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CCCCC1(F)F	854098319	KVNZHPNWAFHOGG-NSHDSACASA-N	315.339	3.586	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NNc1cc(Cl)nc(Cl)c1	854988719	HHYOQNBKVGPMDA-GFCCVEGCSA-N	308.184	3.750	50	20	DHGD	
Cc1ccc2cc(CNC[C@]3(C)C[C@@H]3Br)ccc2n1	856810319	XDQIFOSYYLIOOA-HOTGVXAUSA-N	319.246	3.806	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccccc2Cl)C[C@@H]1Br	856810952	CLBKTVUVGUBFDL-JQWIXIFHSA-N	317.614	3.635	50	20	DHGD	
CC(C)c1ccc(C(=O)NN[C@@H](C)C(F)(F)F)cc1Cl	862319006	VKCFWDYLLRWVRJ-QMMMGPOBSA-N	308.731	3.649	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	885144762	KFVWCEIPJMQSFP-RKDXNWHRSA-N	322.277	3.777	50	20	DHGD	
N#C/C(=C\c1cccc2c1OCCCO2)c1ccc([N+](=O)[O-])cc1	917143693	NJPQDZCRQSLRLD-RVDMUPIBSA-N	322.320	3.820	50	20	DHGD	
O=C(N[C@@H]1CCOC12CCCCC2)c1cccc(CCl)c1	1120703837	GPJDBMASYPKLKH-OAHLLOKOSA-N	307.821	3.647	50	20	DHGD	
CC(C)C[C@@H]1C[C@H](NC(=O)c2cccc(CCl)c2)CCO1	1337213412	WBOUQLCDHWHGDC-HZPDHXFCSA-N	309.837	3.749	50	20	DHGD	
CS[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	1344389817	REGDYEPRTBGSLF-RYUDHWBXSA-N	305.534	3.664	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)O)cc1F	1595126703	YZGZJZDGRGMWQS-LBPRGKRZSA-N	322.380	3.574	50	20	DHGD	
O=C(O)CC1(CNC(=O)c2cccc(CCl)c2)CCCCC1	1601919557	VYIMFTVSJDSHIL-UHFFFAOYSA-N	323.820	3.580	50	20	DHGD	
CC[C@H](C(=O)O)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1	1603503542	QEPHAEVBMFGOQL-CQSZACIVSA-N	315.530	3.583	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C1(c2cccc(F)c2)CC1	115326913	XFQVHIHGWAHMOR-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
Cc1ccccc1OCCCC(=O)NNc1c(F)cccc1F	118510119	FVTYKDHGTCPWAE-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CSCc1ccc(C(=O)NNc2cc(C)ccc2C)cc1	127603469	MFICFDJYMFHHKT-UHFFFAOYSA-N	300.427	3.923	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2ccc(OC(F)F)cc2)c1	128001225	GAINESDQXCKUEG-UHFFFAOYSA-N	320.339	3.672	50	20	DHGD	
COc1cc(C(=O)NNc2cc(C)ccc2C)ccc1Cl	179487579	OADKSHUFWOCBJI-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2ccccn2c1	181313557	KMAMULANYWHVJL-UHFFFAOYSA-N	316.364	3.553	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1csc(C(C)(C)C)n1	184352863	AWYMYMQPQPRRFQ-UHFFFAOYSA-N	321.421	3.574	50	20	DHGD	
COCc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1	588580107	BCVVRVXVUKPLDY-YBEGLDIGSA-N	301.349	3.840	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)CCc1ccccc1O	729933963	AKXRPFFMKGSQEU-UHFFFAOYSA-N	324.424	3.840	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1cc(F)c(F)c(F)c1	730432950	CPUMPULJSZFQAZ-UHFFFAOYSA-N	320.314	3.577	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1sccc1C	733742982	BDHFKFRJLONXPC-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccnc2ccccc12	734246863	LFSYYMGYNSIZQR-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1(C)C	734554575	GSCYWEVXJPMLGD-OTYXRUKQSA-N	312.335	3.785	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc2cc(O)ccc2c1	748778321	IQPYRCBZIUHSEN-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccc1[N+](=O)[O-])C1CCCCC1	751281652	SXGYNGRLNKDEJZ-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[C@H]2C1	755382574	WXQPIZWYUDYKPO-HZSPNIEDSA-N	317.389	3.644	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761176156	JUIJFQRPHRLXGW-LUAWRHEFSA-N	302.761	3.909	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	770319204	SZLFORILBVNARU-WQAKAFBOSA-N	315.182	3.503	50	20	DHGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	775882116	MOJBNANDNJASOH-TZMCWYRMSA-N	300.324	3.831	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CC=C(c2ccc(F)cc2)CC1	776762808	BBBDOFFHXLUYLB-UHFFFAOYSA-N	311.360	3.518	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc3ccccc3n2)c1	777463975	AURYYSZRQIHVBG-AWEZNQCLSA-N	305.381	3.790	50	20	DHGD	
CC(C)(C)[C@@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCCC2)CC1	780718918	AOZBWFFBAFRHRS-HUUCEWRRSA-N	323.481	3.502	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1	786676366	QVBUVJVSJLDUJQ-WZUFQYTHSA-N	324.163	3.579	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)COC(=O)/C(C#N)=C/C2CC2)cc1	786676923	WECWTZSKKTZPRG-VGSSETLESA-N	311.381	3.786	50	20	DHGD	
CCC1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCCCC1	787524928	KPTYYTYQAVXKAY-VBKFSLOCSA-N	312.413	3.776	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(CC(C)C)cc1	792633798	RIYOZAFZKAXLNS-ATVHPVEESA-N	305.443	3.964	50	20	DHGD	
C/C(C=NNC(=O)NC(C)C)=C\c1ccccc1C(F)(F)F	799877116	NJQAAFUMRNRTIV-BLYMQUCJSA-N	313.323	3.802	50	20	DHGD	
Cc1ccnc2ccc(C(=O)OC[C@@H](C)CBr)cc12	803869900	JRUHJPPGLGFBEG-JTQLQIEISA-N	322.202	3.731	50	20	DHGD	
CC(C)(C)c1ccc2[nH]cc(C=NNC(=O)c3ccncc3)c2c1	811629195	UWONYUOFPSHFEJ-UHFFFAOYSA-N	320.396	3.624	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCC2CC2)cc1C(F)(F)F	812525924	RIEPIDMLANAZFB-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
CSC1(CNC(=O)NNc2c(C)cccc2C(C)C)CC1	813153704	UFQLCILIGAIAHB-UHFFFAOYSA-N	307.463	3.640	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cccc(C#N)c2)CCCC1	813494012	ULXVVICFVYWWCG-UHFFFAOYSA-N	319.408	3.822	50	20	DHGD	
O=C(NCCC1=CCCCCC1)NNc1cccc(Cl)n1	814319464	DANCNFVQKDVPCH-UHFFFAOYSA-N	308.813	3.642	50	20	DHGD	
CCC(C=NNC(=O)c1nnc(-c2ccccc2)o1)(CC)CC	814816561	WPBWCDNMJKWWMF-UHFFFAOYSA-N	314.389	3.669	50	20	DHGD	
CC1=C(C(=O)NNc2ccccc2Cc2ccccc2)CCCO1	846463958	JHVVJCJYNXEWMD-UHFFFAOYSA-N	322.408	3.805	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c1	864365987	HXZOWFJPEOHILU-VGVSSDJJSA-N	313.397	3.767	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnc(C(C)C)nc1C	879870120	YHUPBENIMPCSRS-UHFFFAOYSA-N	312.417	3.536	50	20	DHGD	
CCC(=NNC(=O)C1CCCC1)c1ccc(OC(F)F)cc1	914836118	AAOTZIJOHGSLFC-UHFFFAOYSA-N	310.344	3.709	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1)NC1CCCCC1	917533599	OCMFQIRMJWBOQJ-UHFFFAOYSA-N	314.216	3.959	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1F)c1ccccc1Cl	1320689503	COIXNZOVJUDDAX-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CC(C)CN(CC(C)(C)C)C(=O)/C(C#N)=C/c1ccc(O)cc1	1321358163	HBMNQAOBBRUCQH-MHWRWJLKSA-N	314.429	3.830	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1595632251	UOXQIHQIXFRLNV-JTQLQIEISA-N	312.797	3.698	50	20	DHGD	
Cc1c(/C=C(\C#N)c2ccccn2)nc2ccccc2c1C(=O)O	1776131043	FNJVMIDRCAJYIG-JLHYYAGUSA-N	315.332	3.701	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccncc1	15434627	DFMFEXIJJYSDCM-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1ccco1	16882583	PTXSMCCLIQPFJA-RVDMUPIBSA-N	317.348	3.872	50	20	DHGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)c(C)c1	20190839	JNNXQCCCZXDCQO-UHFFFAOYSA-N	323.845	3.886	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)NC1CCCCCC1	102546495	OHQYBRJBCPLGHQ-UHFFFAOYSA-N	313.348	3.637	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)s1	105571023	QPQSETHZXLPUEG-JYRVWZFOSA-N	311.362	3.618	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	108893560	NAECUCBUVKNMOV-IRXDYDNUSA-N	324.424	3.527	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1cccc(Cl)c1	115326918	OVRMUCMLGQABHZ-CYBMUJFWSA-N	300.789	3.903	50	20	DHGD	
C[C@H](CC(=O)NNc1c(F)cccc1F)c1cccc(F)c1	118515172	UPIZDMLMLKCHAZ-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2ccccc2[nH]1	130469159	BDSMXVVLJRISNF-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@@H](C)c2ccc(F)cc2)c1	156955914	JDDPHKDNUYQAKH-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NNc1ccc2ccccc2n1	194839380	SPTOKUNQHJSHQT-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cnccc2C)c1C	264270643	RRFKVCVBBOZPHA-LICLKQGHSA-N	322.412	3.764	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C(C)(C)C#N)cc2)c1	281318319	UTHUZRLCLOECCH-UHFFFAOYSA-N	307.397	3.862	50	20	DHGD	
CSC[C@@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	303319240	HLAMRHQMZACGHB-CQSZACIVSA-N	312.438	3.554	50	20	DHGD	
CCCC(=NNC(=O)c1ccc[nH]1)c1cccc(C(F)(F)F)c1	726424122	PHDNJAWZPHGPIO-UHFFFAOYSA-N	323.318	3.968	50	20	DHGD	
CN(NC(=O)c1ccccc1Oc1cccnc1)c1ccccc1	726980702	BAWBYSALRVSZFG-UHFFFAOYSA-N	319.364	3.655	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1cc(C)ccc1O	727688814	GUXPBMKLHACQDS-UHFFFAOYSA-N	310.397	3.564	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)CCCc1ccccc1	729638940	NNDSGUYTRCMPIZ-UHFFFAOYSA-N	300.427	3.806	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)o1	732767195	VGQQNAAMMJUDJJ-WBMJQRKESA-N	321.380	3.577	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)CC#N)c1C	733712098	WECLYENSCHCADO-SWEABUAFSA-N	313.401	3.657	50	20	DHGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2nccc3sccc23)C1(C)C	734248295	OXTAIGWZXUUDQG-OCCSQVGLSA-N	315.442	3.978	50	20	DHGD	
CC(C)c1cccc(OCC(=O)NNc2c(F)cccc2F)c1	735698499	LVROTTHMYIJWPG-UHFFFAOYSA-N	320.339	3.610	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)c1ccccc1	742466069	PZFHZGOOQLJZRV-GOSISDBHSA-N	304.434	3.834	50	20	DHGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1cccc(F)c1	743412829	UBGHQUDXFOZBPH-SNVBAGLBSA-N	315.373	3.682	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1ccc(Cl)cc1Cl	748007914	JEIPCEKPSWNFIR-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
Cc1ncc(C(=O)NN(c2ccccc2)c2ccccc2)s1	748602277	BHUFOLBEBDSVPY-UHFFFAOYSA-N	309.394	3.935	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@H]2C)c1C	751992125	NFGPAQKXKPMKKK-CRRKTRLDSA-N	313.445	3.823	50	20	DHGD	
CCCCCCCC(=O)NNc1ccc(-c2ccccc2)nn1	754469974	KQRUAFVTQOLWMY-UHFFFAOYSA-N	312.417	3.947	50	20	DHGD	
O=C(C[C@H]1CCCCO1)NN=C(c1ccccc1)c1ccccc1	755086701	YNTWDIMWWMYKMN-GOSISDBHSA-N	322.408	3.514	50	20	DHGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2c(c1)oc1ccccc12	755917258	UTHMTOKBPNXJLX-UHFFFAOYSA-N	323.352	3.539	50	20	DHGD	
CCCC1(C(=O)NNC(=S)Nc2cccc(C)c2C)CCC1	759202000	ODABKZUMKMMQHL-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
CCc1cccnc1C(=O)NNc1cc(Cl)ccc1Cl	767084289	OOAWZSBQXLBILR-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCF)c(C)n1CC(C)C	767262646	LRSMDNZSZZLBBA-CXUHLZMHSA-N	306.381	3.571	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@H]1CCC[C@@H](C)C1	768368595	ZYFBJFIEWAIMHD-KGLIPLIRSA-N	320.458	3.716	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H](F)c1ccccc1	769437597	XCUNWILNZMLTJR-ZDUSSCGKSA-N	312.266	3.859	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1	773103846	NMQYDIGTISMJCP-ZDUSSCGKSA-N	316.788	3.566	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1cc(Cl)ccc1Cl	773493373	YGMONZZBYVQUGG-MRVPVSSYSA-N	307.246	3.968	50	20	DHGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)N(C)C1CCCCC1	777872571	XERSBAAMILPARM-GDNBJRDFSA-N	300.377	3.832	50	20	DHGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1ccc(C(C)(C)C)cc1	780835388	VIKXVOYZXAMGNI-CYBMUJFWSA-N	321.465	3.814	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)C1CCCC1	782887971	QXNSDZZVFWBDHW-AUWJEWJLSA-N	301.773	3.941	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)S(=O)(=O)CCC	786040560	OTDSZTBIOJXIHV-NTCAYCPXSA-N	307.415	3.555	50	20	DHGD	
CSSCCNC(=O)NCc1ccc(C(F)(F)F)cc1	790656697	PFZGIMKZKRHRSL-UHFFFAOYSA-N	324.393	3.516	50	20	DHGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])C1CCCCCCC1	791069981	BKNRPXDEYWYTQR-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(Cl)ccc1F	795365477	CVBSNUCULKONNI-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
O=C(NN=CC(Cc1ccccc1)Cc1ccccc1)C1CC1	799105031	ZXWWQDBZRZGZNH-UHFFFAOYSA-N	306.409	3.600	50	20	DHGD	
CCCc1nnc(NC(=O)NNc2c(C)cccc2CC)s1	799382025	SAGYUSCJOVZQIZ-UHFFFAOYSA-N	319.434	3.510	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccc(Br)cc1F	800520869	PFDVIRNOBVZIDV-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
CSSCCNC(=O)N1CCC(C2CCCC2)CC1	807231472	MFEBIEUVSVNXIV-UHFFFAOYSA-N	302.509	3.609	50	20	DHGD	
CCc1c(C(=O)NNc2cc(Cl)ccc2Cl)ccn1C	810466258	WHSPECQDAHNPJA-UHFFFAOYSA-N	312.200	3.651	50	20	DHGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)CSc2ccccc2O)C1	814968759	DKDHUPDQEQMKQG-KGLIPLIRSA-N	320.458	3.803	50	20	DHGD	
Cc1ccc(NNC(=O)c2c(C)noc2C2CC2)c(Cl)c1	836937869	PIMWDSNZUYYNED-UHFFFAOYSA-N	305.765	3.579	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(F)c(C(F)(F)F)cc1F	837644842	CYDTZIXBXQTPHN-UHFFFAOYSA-N	322.060	3.517	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1CC2(CCC2)C1	844128211	KNECWXRHPBRZEG-UHFFFAOYSA-N	315.804	3.912	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855468233	PVTFYBAWUNTGET-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1ccnc(Cl)c1	855468288	SGVBXUIJPOFTIO-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
CC(CCc1c[nH]c2ccccc12)=NNC(=O)CC(F)(F)F	872344613	LQHOZEJBRKOMGG-UHFFFAOYSA-N	311.307	3.545	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2ccc(F)cn2)cc1	874651421	OGYOSJYZMWYUAF-UHFFFAOYSA-N	317.364	3.547	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CC12CCSCC2	885127287	PPSVRSYENMPACB-LBPRGKRZSA-N	310.850	3.625	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cnn(C4CCC4)c3)[nH]c12	899344675	VKPMIPAVNGCOOE-RIYZIHGNSA-N	303.369	3.857	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cccc(F)c3)cc2C1	916353497	OHWBEFUCXPFXFF-LLVKDONJSA-N	316.401	3.776	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(-n2cnc3ccccc32)cc1	917577481	WVKAYCMUZFBRII-UHFFFAOYSA-N	320.396	3.522	50	20	DHGD	
CCOc1ccc2ccccc2c1C(=O)NCCCSC#N	935843318	PPECJEAHBJTJCY-UHFFFAOYSA-N	314.410	3.573	50	20	DHGD	
O=C(NN=C1CCCCC1)[C@H]1CCCO[C@@H]1c1ccccc1	1549080943	OXVCZNDGNCGKOC-DLBZAZTESA-N	300.402	3.591	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044950	XNEZDAUNROLWKS-GFCCVEGCSA-N	317.389	3.853	50	20	DHGD	
N#C/C(=C\c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1	1942908	ZCTACYQMXRBWKD-XNTDXEJSSA-N	303.770	3.678	50	20	DHGD	
CCCSCC(=O)NN=C(c1ccccc1)c1ccccc1	71946573	FXHQVGSWLKOOOD-UHFFFAOYSA-N	312.438	3.698	50	20	DHGD	
COc1ccnc(NC(=O)CCCC[C@@H]2CCSS2)c1	89987029	AJCKKMFXSXFFSB-GFCCVEGCSA-N	312.460	3.743	50	20	DHGD	
CCCc1c(C(=O)NNc2ccc(C)cc2)[nH]c(C)c1C(C)=O	133015223	DKQDUXIOFALELV-UHFFFAOYSA-N	313.401	3.544	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1C[C@H]1c1cccc(Cl)c1	154587017	WSEARYHMJPIKST-GJZGRUSLSA-N	304.752	3.726	50	20	DHGD	
Cc1cc(Cl)c(NC(=O)NNC(=O)C(C)(C)C)cc1Cl	179928164	CZGDDAOUCZIXKD-UHFFFAOYSA-N	318.204	3.501	50	20	DHGD	
Cc1c(NC(=O)NNc2ccccn2)cccc1C(F)(F)F	180589829	DXNYCLXUDUJZPC-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCSc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	187206624	BSDOMOBQFUOZDA-UHFFFAOYSA-N	312.398	3.819	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2C)o1	191769117	QWCOAKYDFUMLPR-NTEUORMPSA-N	319.357	3.693	50	20	DHGD	
Cc1cccc(NNC(=O)c2c(C)nn(-c3ccccc3)c2C)c1	192834263	YALGMBYWQADKOS-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)c2nc3c(C)cccc3[nH]2)c1C	265393722	PLQFKKNJJTYQDS-NTEUORMPSA-N	305.385	3.769	50	20	DHGD	
Cc1ccc([C@H](C)N(C)S(=O)(=O)CCCCCl)c(C)c1	275570977	PFPPIZWGTWMHES-AWEZNQCLSA-N	317.882	3.645	50	20	DHGD	
C=C(CBr)CN[C@@H](C)c1cccc(N2CCCC2)c1	279582777	CPVUPBAYKVMBHU-AWEZNQCLSA-N	323.278	3.889	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	588515660	NYIUDYPNTMDJIN-LZNAANCOSA-N	320.392	3.793	50	20	DHGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)c1cnc2ccccc2n1	588580588	KWTJGDNKTXGBSS-WZUFQYTHSA-N	309.275	3.678	50	20	DHGD	
Cc1cc(Br)ccc1C(=O)NN(C)c1ccccc1	726981532	VWSCGOCVFKFJSH-UHFFFAOYSA-N	319.202	3.539	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(F)cc1Cl	730553263	VTJWSMRIYYJVBA-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CSCc2ccccc21)c1ccccc1	731933566	ZLPWMASSRMXJLG-MRXNPFEDSA-N	324.449	3.948	50	20	DHGD	
CC(C)CC[C@H](NC(=O)NNc1ccc(F)cn1)C(C)(C)C	734545544	YOARMXVAIYNSED-ZDUSSCGKSA-N	310.417	3.698	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1c(F)cccc1F	735696054	OPWZLBOTHDCLFU-AWEZNQCLSA-N	322.380	3.979	50	20	DHGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1ccsc1	738541249	QWGCHZYKZFJWRW-SECBINFHSA-N	303.412	3.605	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNc1nc(C)cc(C)n1	742512121	VJHBZUBQQPMMEE-QGZVFWFLSA-N	306.454	3.923	50	20	DHGD	
CC(C)(C(=O)NN=C1CCCc2c(O)cccc21)c1ccccc1	743441975	OXGIOVMYDIDYMC-UHFFFAOYSA-N	322.408	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1	749193891	OCHRDVPFJBHKAT-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CC1CCCCCC1	749947473	SLNBWQONVZHMGK-UHFFFAOYSA-N	307.346	3.869	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)s1	751426591	IMMDGONCBLCCBZ-IGVUGNCQSA-N	314.385	3.980	50	20	DHGD	
Cc1cc([C@H](NC(=O)NNc2ccccc2)C2CC2)ccc1F	759698952	WDUCWYRGHIOSNW-QGZVFWFLSA-N	313.376	3.912	50	20	DHGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)CCCC[C@@H]1CCSS1	759813141	FKVKQQNXQNDUHX-HZSPNIEDSA-N	317.520	3.632	50	20	DHGD	
CCCc1nc(C(=O)NNc2ccc(Cl)cc2Cl)co1	759976097	OKWUQHPDIZPVRL-UHFFFAOYSA-N	314.172	3.691	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccc(Br)cc1	769607034	XRYNXTIYFGZKLJ-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	770319202	SZLFORILBVNARU-OASPWFOLSA-N	315.182	3.503	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cnc(C(C)(C)C)s1	770357701	GXFLCZLSKXHWQZ-QMMMGPOBSA-N	320.252	3.628	50	20	DHGD	
C[C@H](CBr)COC(=O)C(C)(C)Cc1ccccc1	770375424	PMSJNPFRTIAPTR-GFCCVEGCSA-N	313.235	3.830	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@@H](C)c1ccc(F)cc1	771699219	XXZLSRWNUPFULE-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
CN(C)C(=O)NN=C1CCC[C@@H]1c1ccc(Cl)c(Cl)c1	776179912	GPPCJDZJDKGACE-SNVBAGLBSA-N	314.216	3.888	50	20	DHGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	779200653	LIGGYSWUXSMLSO-IINYFYTJSA-N	316.323	3.711	50	20	DHGD	
CCC(=O)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	781574280	FEZYKADKRWROCS-UHFFFAOYSA-N	310.275	3.826	50	20	DHGD	
CN(CCCc1ccccc1)C(=O)/C(C#N)=C\c1ccc(F)cc1	785270226	GVHDTBKCKXLYSB-JXAWBTAJSA-N	322.383	3.824	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1cc(OC)cc(OC)c1	788966488	LTTASHIWIUUIRU-UHFFFAOYSA-N	318.417	3.946	50	20	DHGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)C1CCCC1	797398401	MUROKSHEDBZVQZ-NTCAYCPXSA-N	321.380	3.547	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC1CC1	797399017	SNXXENYIBNKVHU-QPEQYQDCSA-N	305.761	3.599	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(Cl)ccc1Cl	808247851	RYYMYXNRPUICIN-UHFFFAOYSA-N	301.000	3.869	50	20	DHGD	
CCCCCC(C)=NNC(=O)COc1ccccc1OCC	818222352	XTDBLJZOFMDNAI-UHFFFAOYSA-N	306.406	3.537	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1cccnc1Cl	819572875	INACFDCCIZNTQN-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)N[C@H]1C=CCC1	821059573	FFCNLXZKXFTPFE-QMMMGPOBSA-N	319.714	3.704	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNC(=S)Nc1cccc(C)c1C	824125632	NEYXEDMPXPLZLI-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1ccnn1C(C)(C)C	836535629	CJWOROMZAVUBSV-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
COc1cc(NNC(=O)C2=CCC(C)(C)CC2)ccc1Cl	836785804	UEXNOULOUVKBGX-UHFFFAOYSA-N	308.809	3.928	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H](C)C1CCC1	837586642	FNRSBLLRKVOERS-LBPRGKRZSA-N	319.474	3.564	50	20	DHGD	
CCOc1ccc(C[C@H](C)C(=O)NNc2cccc(F)c2)cc1	839708529	JTHPBJDWYNSPOI-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccnn2CC(C)C)ccc1[N+](=O)[O-]	843268928	OLZYVJPBYMDIQX-DHDCSXOGSA-N	310.357	3.820	50	20	DHGD	
CNc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cn1	843483286	SNJJGFOKIPGATH-GFCCVEGCSA-N	311.476	3.776	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)N(C)CC(Cl)Cl)c1C(C)C	848082443	JBEZSODKHQGZBI-UHFFFAOYSA-N	319.232	3.525	50	20	DHGD	
N#C/C(=C/c1ccc(O[C@@H]2CCOC2)cc1)C(=O)C1CCCC1	849180099	XAPRBNPGGQQBLJ-MUMAZLPKSA-N	311.381	3.521	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2nccn2C(C)C)c(Cl)c1	853311768	XUKFRFXIVDUDBI-UHFFFAOYSA-N	319.796	3.581	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(F)cc1)OCC(F)(F)F	853430263	BWYRVWXIOVASJV-LLVKDONJSA-N	318.270	3.738	50	20	DHGD	
Cc1cc([C@@H]2CCCN2C[C@H](CBr)C2CC2)on1	859079750	WMXPQVWEZYCGRT-STQMWFEESA-N	313.239	3.541	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1nc(C2CCCCC2)cs1	869699916	BMQWGUCOJOUAOU-XFXZXTDPSA-N	305.403	3.573	50	20	DHGD	
CSc1cccc(NC(=O)[C@]2(C)C[C@H]2Br)c1	905290284	ZRTPMJIVSOVDTK-ZYHUDNBSSA-N	300.221	3.521	50	20	DHGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)NCCc1ccccc1	915844223	JRLTUVSTTWPKAB-KIYPBSQKSA-N	316.404	3.899	50	20	DHGD	
CCCC(=NNC(=O)CNc1ccc(C)cc1)c1ccccc1	915921868	NGOPQYPPCKMERH-UHFFFAOYSA-N	309.413	3.728	50	20	DHGD	
C/C=C\COC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	923147124	NFKUDINEYLEFCO-ACULNWQLSA-N	300.402	3.931	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(Cc2cccc3ccccc23)o1	1118127089	KPVQSNOZFCXCET-NTCAYCPXSA-N	305.337	3.715	50	20	DHGD	
CO[C@@](C)(C(=O)NNc1ccc(C)c(Cl)c1)c1ccccc1	1320537156	DHOXNUFBCZUALP-QGZVFWFLSA-N	318.804	3.653	50	20	DHGD	
O=C(Nc1csc(-c2ccccn2)n1)C1CCC(Cl)CC1	1548682664	WFOZXFPMXSUFLH-UHFFFAOYSA-N	321.833	3.941	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1595694682	GUQCHRZAZLOMDE-LLVKDONJSA-N	323.345	3.805	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N=c1[nH]c2ccccc2[nH]1	27336806	DCZXARGGEAPMAA-LLVKDONJSA-N	321.471	3.637	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)c2ccccc12	44026531	UOHTYUYKPWBGSF-NTCAYCPXSA-N	320.392	3.814	50	20	DHGD	
O=C(NNc1ccccc1)c1cc2cc([N+](=O)[O-])ccc2s1	72575009	WVLHCJGTNWTCJA-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
O=C(CCc1cc(F)ccc1F)NNc1ccc(Cl)cc1	120279750	PYZWGJHMVSFTSP-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1ccnc2ccccc12	151566127	NMFHLYUDXFIRCZ-UHFFFAOYSA-N	317.458	3.990	50	20	DHGD	
Cn1cccc1/C=C(\C#N)C(=O)c1ccc(Br)s1	171671289	IXTUKDOWYJZSOY-VQHVLOKHSA-N	321.199	3.639	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cc(C)c1O	171982119	MKBLICDWQRQCQY-LFIBNONCSA-N	306.365	3.579	50	20	DHGD	
C[C@@H]1CSCCN1C(=O)CCCC[C@@H]1CCSS1	172453471	DVJBBTCGKXQIES-VXGBXAGGSA-N	305.534	3.664	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2cnc3ccccc3n2)c(C(C)(C)C)n1	191357840	PAPCNRXTSFXRNP-UKTHLTGXSA-N	317.396	3.725	50	20	DHGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c1	193347978	VXCDKZWPAPROQY-LZYBPNLTSA-N	305.333	3.822	50	20	DHGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)c1cc(F)cc(F)c1	194537373	ATSFUWVRLHYJIG-WCIBSUBMSA-N	300.289	3.688	50	20	DHGD	
Cc1cc(OC(=O)/C=C\c2ccc(Cl)nc2)ccc1[N+](=O)[O-]	255606336	MTIGUOLIHYHOEZ-CLTKARDFSA-N	318.716	3.570	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cnc3ccccn23)c1C	255695343	LSGFCGJEVIZSRJ-GDNBJRDFSA-N	301.349	3.741	50	20	DHGD	
Cc1ccc(C(=O)C(=O)NNc2ccc(C(C)(C)C)cc2)cc1	272793509	HVCYTCNWPYHZOR-UHFFFAOYSA-N	310.397	3.619	50	20	DHGD	
CC(C)c1[nH]ccc1C(=O)NNc1ccccc1C(F)(F)F	285598909	VYGKFBDPROQILR-UHFFFAOYSA-N	311.307	3.914	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1	301399397	OFKZHCSLWOCAFD-DEKNZBOESA-N	312.413	3.687	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2csc(C3CC3)n2)cc1	490663295	ITBAUJOANWAHOS-OVCLIPMQSA-N	323.421	3.552	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1ccc(C(F)(F)F)cc1	492430726	YTMQWDRJJHBZQC-FARCUNLSSA-N	321.302	3.565	50	20	DHGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)N1CC=C(C#N)CC1	492580339	JMWLXHZNCAADDV-XVJNWHFHSA-N	310.397	3.559	50	20	DHGD	
N#CC1=CCN(C(=O)/C=C/c2cc(Cl)cc(Cl)c2)CC1	492580922	KRZGCOWDQYUXQU-OWOJBTEDSA-N	307.180	3.689	50	20	DHGD	
CCOc1ccc(C=NNC(=O)[C@H](CC)c2ccccc2)cc1	731931323	FICKTMVUWXEKIE-GOSISDBHSA-N	310.397	3.729	50	20	DHGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCC[C@@H](C2CC2)C1	737426822	DSGJMBTWMILONR-DOTOQJQBSA-N	319.493	3.571	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCCF)c(C)n1CCC(C)C	739322174	YUPLWYKHQLXZAF-YBEGLDIGSA-N	306.381	3.571	50	20	DHGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2ccc(Cl)c(F)c2)C1	746696941	FESJHRZIFNUXFQ-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
C[C@H](CCOc1ccccc1)C(=O)NNc1ccccc1Cl	748306134	DDYJBMZGAJXJNU-CYBMUJFWSA-N	318.804	3.888	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1ccc(C)cc1	749203699	XSDREJACCOTZNB-UAGQMJEPSA-N	304.434	3.812	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)c2cc3ccccc3o2)c1	749822418	CTPKUKBZMGYDSG-UHFFFAOYSA-N	320.348	3.762	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1F	755754988	IBPPGNIDQCYNFV-SWLSCSKDSA-N	316.763	3.998	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1	756876329	LCTLPJAVUAQBBP-LBPRGKRZSA-N	318.779	3.927	50	20	DHGD	
Cc1sc(Cl)nc1C(=O)NNc1cccc2c1CCCC2	762898156	KYGDHHQBMHJSPP-UHFFFAOYSA-N	321.833	3.741	50	20	DHGD	
COC(=O)NN=Cc1ccccc1Oc1ccc(F)cc1Cl	763409540	XMULQPVQMZPVTI-UHFFFAOYSA-N	322.723	3.961	50	20	DHGD	
CCc1ccc(CC(=O)NNc2c(F)cccc2Cl)cc1	770196690	DAUAABSZATXIEI-UHFFFAOYSA-N	306.768	3.727	50	20	DHGD	
C[C@H](CBr)COC(=O)CCc1ccc(Cl)cc1	770333902	YMCSMRKWZBXLOB-SNVBAGLBSA-N	319.626	3.847	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1	776487726	LIZZLEVGDIDYID-MNOVXSKESA-N	316.323	3.507	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCCc2cccs2)cc1	780815865	PYXGWFRITNAUFD-UHFFFAOYSA-N	317.458	3.914	50	20	DHGD	
C#CCC1(C(=O)NNc2ccc(C#N)c(Cl)c2)CCCCC1	788531282	WOVPBTOUPWWJNH-UHFFFAOYSA-N	315.804	3.629	50	20	DHGD	
CCOC[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)C(C)C	788878628	XYGQQKWBVTYPEK-MRXNPFEDSA-N	321.465	3.671	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCC(F)(F)C1	795146825	QAKUZDYGKVZIOP-ZETCQYMHSA-N	309.143	3.872	50	20	DHGD	
O=C(NN=Cc1c[nH]c(C(F)(F)F)c1)c1cc2ccccc2o1	807975708	XYTNSXPYTFMHFX-UHFFFAOYSA-N	321.258	3.544	50	20	DHGD	
COC[C@@H]1CCCCN(CCO[Si](C)(C)C(C)(C)C)C1	808747867	VNVYQLFPTBYANL-OAHLLOKOSA-N	301.547	3.757	50	20	DHGD	
Cc1cc(OC(=O)c2cc3ccccc3nc2C)ccc1[N+](=O)[O-]	809786808	LMLNYFLTKSYKNY-UHFFFAOYSA-N	322.320	3.979	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccc(C)s1	812241834	NMUHKTPVGDCFDI-KPKJPENVSA-N	301.342	3.994	50	20	DHGD	
COc1cnc(NC(=O)NNc2c(C)cccc2C(C)C)s1	812977837	SUVARNXAIZWRHO-UHFFFAOYSA-N	320.418	3.732	50	20	DHGD	
Cc1cccc(Br)c1C(=O)NNc1ccccc1	813493732	LZZNCCKQLOSOOQ-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc3c(F)cccc3c2)c1	815853341	GMFHXCUEHMYVOO-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CC(CC(C)(C)C)=NNC(=O)c1cccc(Br)c1	834961071	CBCYNGVOJMJTIJ-UHFFFAOYSA-N	311.223	3.991	50	20	DHGD	
CC[C@](C)(OC)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379514	XFJBXVKBRSSVCB-LBPRGKRZSA-N	324.730	3.617	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cnc2ccccn12	855734710	GHWMYMXEUMIWNG-GFCCVEGCSA-N	321.471	3.987	50	20	DHGD	
C#CCCCCC(=O)NNc1ccc(OCc2ccccc2)cc1	862518657	FSZFVRONQNNQEK-UHFFFAOYSA-N	322.408	3.902	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	899370746	AANGPUZXAHKGGE-KPKJPENVSA-N	310.353	3.778	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CSCc2ccccc21	915971148	GIRXKEINAGXEOW-UHFFFAOYSA-N	311.410	3.768	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2)c(F)c1	916254319	UREGHTXIUZQYJJ-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
O=C(NN=Cc1ccccc1C(F)(F)F)c1ccccc1F	916291073	LVWJWIXORNGZLR-UHFFFAOYSA-N	310.250	3.608	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccc(C)o1	916336582	JLYPZKFSDUADEL-OAHLLOKOSA-N	314.385	3.513	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OC/C=C\Cl)c(C)n1CC(C)C	916614574	SMAGVOLXIVZFBN-CCKMTBCVSA-N	320.820	3.964	50	20	DHGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)s2)cc1	1318440048	OHTUUUXHPWLKHW-UHFFFAOYSA-N	321.405	3.761	50	20	DHGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1n[nH]c2c1CCCC2	1347383959	QDWLFQGJRBZGPS-UHFFFAOYSA-N	314.433	3.509	50	20	DHGD	
Cc1oc(C(=O)O)cc1/C=C(\C#N)c1nc(C2CC2)cs1	1608036403	QRFWNTBPQYARLR-NYYWCZLTSA-N	300.339	3.684	50	20	DHGD	
Cc1sc2nc(/C(C#N)=C/c3ccsc3)[nH]c(=O)c2c1C	5071237	IXNVHJLSZVJJEF-VZUCSPMQSA-N	313.407	3.727	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccco1	14824280	OVMYABXMFATHGZ-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
COCCOC(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	17473081	OGVWQGWGPPACQU-CSKARUKUSA-N	321.785	3.651	50	20	DHGD	
O=C(Cc1cccs1)NNc1c(Cl)cccc1Cl	133279047	CZYPBWMHLQQTJM-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
COc1ccsc1C(=O)NNc1ccc(C(F)(F)F)cc1	153778538	MOALCQRYBHZDEO-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)Nc1ccccc1	155150863	CXSZWEFFNWJCEV-UKTHLTGXSA-N	309.394	3.956	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl	159593529	TXKBJTBHPPUQOV-URLRMUCDSA-N	313.184	3.615	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1c(F)cccc1F	173747467	VDHBEXDEDBSAMU-NSHDSACASA-N	322.330	3.816	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CSc2ccccc21	175447030	WTGURAQZHLIDGB-LLVKDONJSA-N	322.792	3.812	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(F)cc1Cl	175465059	BPBZAHWGXQPEES-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CC[C@@H]1C[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	184253537	HTCUDTAQUGXYEU-GXSJLCMTSA-N	317.216	3.642	50	20	DHGD	
O=C(C=C(C1CC1)C1CC1)NNc1ncc(Cl)cc1Cl	274721959	FIKOTDPQNFLEMC-UHFFFAOYSA-N	312.200	3.578	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc(F)cc(Cl)c1	277124082	YZBSFIKMJPVAMP-QPEQYQDCSA-N	301.770	3.558	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccccc2Cl)c1CC	277457567	XYOBTYIISCLDMW-UHFFFAOYSA-N	320.824	3.656	50	20	DHGD	
CCC[C@@H](Cc1ccccc1)NC(=O)NN(C)c1ccccc1	727850571	GWBVVDVWJNMUSA-KRWDZBQOSA-N	311.429	3.748	50	20	DHGD	
CC(CCc1ccccc1F)=NNC(=O)c1ccc(Cl)nc1	734093087	PFKSVWYKZWKVQY-UHFFFAOYSA-N	319.767	3.613	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@@H](C2CC2)C1	737423853	YQYUKSZFTCJGMG-GXTWGEPZSA-N	318.392	3.665	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc(Cl)ccc1Cl	743819071	ZIDAWEAOCNGGEE-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747591358	SXFXCUNXDZDGLW-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
CC(C)(C)c1ccc(CCC(=O)NNc2ccc(C#N)cc2)cc1	748126426	PYNIFZQLTIIHOH-UHFFFAOYSA-N	321.424	3.932	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(F)cc2F)cnc2ccccc12	748849087	HIJLCILXUHVTEG-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)c1cccc(Cl)c1	754010217	GVAWEPUSLKJNBA-LLVKDONJSA-N	310.825	3.563	50	20	DHGD	
Cc1cccc(NNC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)c1	757784047	ZTHFUFMZPRYTDR-UHFFFAOYSA-N	320.396	3.759	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2c(C)oc3ccccc23)cc1	758100711	VVSNRAZKHULRAI-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2c(C)cc(C)cc2C)C1(C)C	759970459	HDWKJMZEPWMFOJ-CVEARBPZSA-N	316.445	3.696	50	20	DHGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@H](Br)C(C)(C)C	767326188	HCPZODWJCJMCOU-KBPBESRZSA-N	324.262	3.908	50	20	DHGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1ccccc1Cl	769922809	DPYIHECLCKKZHN-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1)C(=O)NCc1cccc(Cl)c1	786055358	DTIRDCZXODBHGJ-VGOFMYFVSA-N	314.747	3.702	50	20	DHGD	
C=C(CBr)CN1C[C@H](c2ccc(F)cc2)C[C@@H]1C	791460538	JECYVJBDZYOFKB-GXTWGEPZSA-N	312.226	3.955	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC(F)(F)CC1	794293220	SRYXCDQEDPTPPZ-LLVKDONJSA-N	309.447	3.958	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)C2(CC)CCCC2)cc1C	794645126	BHFTUGANTRFUAA-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC[C@H](c3ncccc3C)C2)n1	799113878	LZJFZJULCDTRHY-HNNXBMFYSA-N	322.412	3.537	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCOc2cccc(F)c2C1	801584088	ZZDBPWKUTBFUDM-IUXPMGMMSA-N	312.319	3.724	50	20	DHGD	
COCCCn1nccc1/C=C(\C#N)c1ccc2ccccc2n1	802703877	FSIMXSFZHHNZFS-DTQAZKPQSA-N	318.380	3.532	50	20	DHGD	
CSSCCNC(=O)c1c(Cl)cc(C#N)cc1Cl	803472515	DXFALVUJWITPQQ-UHFFFAOYSA-N	321.254	3.606	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(F)n1)c1ccc2ccccc2c1	804766245	CRAVBQMWVCKYNW-LBPRGKRZSA-N	309.344	3.621	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCO2)c1cc(C(F)(F)F)ccn1	812248842	RROMVTPLDHIWNS-WDZFZDKYSA-N	318.254	3.893	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)COc1ccc(F)cc1	812766907	ZJRKMHBSCQLWKZ-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)Nc1ccc(Cl)cc1	815005429	WMIQCSVBXZKATO-UHFFFAOYSA-N	317.776	3.894	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2cccc(Cl)n2)cc1	817005538	XZPKZDJYHSSISP-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNC(=S)Nc1ccccc1C(C)C	819517772	FWAJVEBUAIQEOM-UHFFFAOYSA-N	319.474	3.730	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1scnc1C(C)C	836935919	VWASZSILZUEZKQ-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1cccc(Cl)c1Cl	838344833	GPQYPGSLNFKYRY-QMMMGPOBSA-N	307.246	3.968	50	20	DHGD	
CO[C@@H](C1CC1)[C@@H](C)NC(=O)NNc1c(C)cccc1C(C)C	838699676	ANWMIMQDUGJOQP-CXAGYDPISA-N	319.449	3.558	50	20	DHGD	
C[C@@H](C(=O)NCCCSC#N)c1ccc(C(F)(F)F)cc1	854359575	PDYVWUFSQYAWBM-SNVBAGLBSA-N	316.348	3.529	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)cc1	857115121	AVYCIDUQCDGRHC-ZWKOTPCHSA-N	310.397	3.559	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccnc1Br	865221553	YVEKKFPRONPKEN-BKLZJWBFSA-N	307.191	3.756	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1	891550168	SDECUIKYTDDEAZ-VXGBXAGGSA-N	319.468	3.654	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cnn(CC3CCC3)c2)ccc1[N+](=O)[O-]	899366513	MBMAKRFXRBLHCT-CAOOACKPSA-N	322.368	3.964	50	20	DHGD	
C[C@H](NC(=O)[C@@]1(C)C[C@@H]1Br)c1cc2ccccc2o1	907644089	KWHSBFMJWFXZHH-FGEZKYSXSA-N	322.202	3.784	50	20	DHGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)NC2CC2)c1C	915848027	KVBAVBAXGLHGNR-BOPFTXTBSA-N	319.408	3.588	50	20	DHGD	
CC[C@H](CNC(=O)NNc1ccc(F)cc1)c1ccccc1	915920184	LAAAHXFKHMRFBU-CYBMUJFWSA-N	301.365	3.646	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1cc(OC)cc(OC)c1	917571148	CIRMJQQWBYEFKJ-UHFFFAOYSA-N	306.406	3.780	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1F	1319468490	YVIOMVZWNJREQZ-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1ccc(Br)cc1	1321202027	CIQQTGSPZJODQA-UHFFFAOYSA-N	309.207	3.911	50	20	DHGD	
O=C(NN=Cc1ccnc2ccccc12)c1ccccc1Cl	1321640148	KYGSTKMDPUPUIE-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cn2cc(C)c3ccccc32)c1	1322856654	JBLQMJOSXWNZKN-UHFFFAOYSA-N	307.397	3.710	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccc(C(=O)O)s2)cc1	1591974390	ULFYLZHKMMYNRB-UHFFFAOYSA-N	319.386	3.718	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc(/C=C/C(=O)O)o2)sc1C	1777489379	BTSVMBZSXVGNAL-VLHCFCLRSA-N	300.339	3.515	50	20	DHGD	
N#C/C(=C\c1ccc(OC[C@H]2CCCO2)cc1)c1ccccn1	14175634	XVMXJGKIMKNIJF-FXFXYLOPSA-N	306.365	3.704	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(Cl)s1)c1ccccc1	112224433	HFFFVMYBKHAEEL-LUAWRHEFSA-N	302.786	3.971	50	20	DHGD	
C[C@H](CC(=O)NNc1ncccc1Cl)c1cccc(F)c1	116452375	GKTLTZWPRTYNQW-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccccc1N1CCCCC1	119408457	ZLGNLKSMYOVIQN-UHFFFAOYSA-N	310.401	3.826	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccncc2C)c1C	170957012	ZYLXFNWOEPKAAN-LICLKQGHSA-N	322.412	3.764	50	20	DHGD	
CC(C)C[C@H](C)OCCC(=O)NNc1cccc2cnccc12	178529308	YZDSLGYMCDOUNR-AWEZNQCLSA-N	315.417	3.519	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc(OC)c1	184840608	NBYIMUBMGRNLNH-LZYBPNLTSA-N	307.349	3.802	50	20	DHGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3cccc(C)c3)c12	189916654	NFEAPIMISJFBFM-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1c(F)cccc1F)c1ccccc1	206853542	HQQVMNUGVJMHEC-XTCQQWIJSA-N	312.319	3.749	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1Br	255893833	QMQFLVHHSITMBL-KPKJPENVSA-N	308.175	3.616	50	20	DHGD	
C=C(CBr)CN[C@@H](c1ccccc1)C1CCOCC1	365384476	KWFSOEHQFRDKNW-INIZCTEOSA-N	324.262	3.695	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)NC1CCCC1	491100947	CAWSNXUSOYVCOM-VQHVLOKHSA-N	314.332	3.733	50	20	DHGD	
CN(CCC1CCCCC1)C(=O)/C(C#N)=C/c1ccc(O)cc1	588516049	ZHJVUMUQCOXRCG-GHRIWEEISA-N	312.413	3.728	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc(O)c(Cl)c3)nc12	741468521	HSTFAFVAQYIQEG-WDZFZDKYSA-N	310.744	3.690	50	20	DHGD	
CCC(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1	744665438	NGGSZOPYGROBOB-UHFFFAOYSA-N	316.788	3.779	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ccc(Cl)s1	750664789	XNKXTTIIRZYZDB-XFFZJAGNSA-N	319.769	3.757	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(-c3ccccc3)nn2)C1	754467537	OEGXJLBNNNDJNV-HUUCEWRRSA-N	324.428	3.803	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)C(=O)NC(C)C	756788275	UFNSRSNGYSIFGE-PDGQHHTCSA-N	320.392	3.794	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1cccc(F)c1	772173021	YBLYSXXBXHLFML-WUXMJOGZSA-N	314.247	3.663	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2cnc(C(C)C)s2)ncn1	773178103	ZZHZEPZFGRIICU-WMZJFQQLSA-N	302.428	3.843	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2ncc(Cl)cc2Cl)C[C@H](C)C1	775266443	VFKHCKZXCGLNJS-RKDXNWHRSA-N	316.232	3.904	50	20	DHGD	
C[C@@H](CBr)CN1CCC(c2ccsc2)CC1	776882636	OZJAMTIQFNVANJ-NSHDSACASA-N	302.281	3.959	50	20	DHGD	
COc1ccc(CCC=NNC(=O)CCc2ccccc2)c(C)c1	777434716	ZSMHTEONNUILKJ-UHFFFAOYSA-N	324.424	3.671	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1	780684603	HTHOGXJANJLGLW-UHFFFAOYSA-N	314.694	3.655	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cc(Cl)cs2)c(C)c1	782169737	UGQDTBLVPGFLAW-UHFFFAOYSA-N	321.833	3.581	50	20	DHGD	
C[C@@H]1CCCC[C@H]1OCCOC(=O)/C(C#N)=C/c1ccccc1	785345385	OJEZHQNMUKLFPE-OMISUUDFSA-N	313.397	3.732	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(F)cc1OC)c1ccc(F)cc1	788192232	ATFOIGPTYXUWRI-CQSZACIVSA-N	320.339	3.610	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccnc(F)c1	794912122	ZRSIYYCRKSKUGG-UHFFFAOYSA-N	320.755	3.728	50	20	DHGD	
CCOc1ccc(CC(=O)NNc2c(C)cccc2CC)cc1	799756892	LBISZJXLWABZHW-UHFFFAOYSA-N	312.413	3.642	50	20	DHGD	
CC(COC(C)C)=NNC(=O)c1cc2c(s1)CCCCCC2	799871801	FRXSNDRMTFQVAI-UHFFFAOYSA-N	322.474	3.938	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1nccnc1C1CCC1	805464346	WOUGJBREWSLXFZ-UHFFFAOYSA-N	304.438	3.794	50	20	DHGD	
CCc1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)c1	806122603	RPQRUKGIYSLLTG-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
Cc1ccccc1[C@@H](CO)NCCO[Si](C)(C)C(C)(C)C	808744934	GHARYCCYJMZMCF-MRXNPFEDSA-N	309.526	3.640	50	20	DHGD	
O=C(Cc1cccc(Cl)c1F)NNc1ccc(Cl)cc1	810684158	QYWWGLKHVHTMAY-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1ccc(CC(=O)NNc2c(C)cccc2C(C)C)cc1	812764905	MKJFPCVJSDUHOA-UHFFFAOYSA-N	312.413	3.813	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC[C@@H](C)C2)c(C)n1-c1ccccc1	814703982	JCUBQLNHKAPKCE-CYBMUJFWSA-N	309.413	4.000	50	20	DHGD	
O=C(NN=Cc1ccccn1)Nc1ccc(Cl)cc1Cl	814995153	CXYUHZBCDPVPRN-UHFFFAOYSA-N	309.156	3.544	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2Cl)o1	814995642	MEQVSZWMCQYMGN-UHFFFAOYSA-N	323.139	3.614	50	20	DHGD	
Cc1ccncc1C=NNC(=O)Nc1ccc(Cl)cc1Cl	814996107	KRSMMTROOLHYFT-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C2CC2)cc1)c1ccccc1	827184516	CNNABUWQFJYBRC-GOSISDBHSA-N	322.408	3.519	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2cccc(F)n2)cc1	831944184	POXFQZFJJONVIC-UHFFFAOYSA-N	317.364	3.545	50	20	DHGD	
C[C@@H](N)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191310	XZDCLVMBNJJVMH-SSDOTTSWSA-N	319.299	3.813	50	20	DHGD	
CCC(=NNC(=O)c1cccc(OC(F)F)c1)[C@@H]1CC1(C)C	841622927	CMWAHWYEGUXAHJ-LBPRGKRZSA-N	310.344	3.830	50	20	DHGD	
CCC(F)(F)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	855017265	ICHBNVYZLKXHMA-UHFFFAOYSA-N	316.657	3.847	50	20	DHGD	
C[C@@]1(CNCc2cc(F)cc3cccnc23)C[C@H]1Br	856806756	HWJCBPQYEZTFPM-HIFRSBDPSA-N	323.209	3.637	50	20	DHGD	
CSc1ccc(CNC[C@@]2(C)C[C@@H]2Br)s1	856809016	IIZHAJMVVJNRGE-GXSJLCMTSA-N	306.294	3.733	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)c1scnc1C1CCCC1	885142572	FYSFVRSQIYRPHP-UHFFFAOYSA-N	323.368	3.836	50	20	DHGD	
CSCc1ccc(NC(=O)[C@]2(C)C[C@H]2Br)cc1	906535802	ZONXBPIKGRJRFY-DGCLKSJQSA-N	314.248	3.662	50	20	DHGD	
CC(=NNC(=O)Cc1csc(C)n1)c1ccc2ccccc2c1	916317269	GKFCSAWXWPEAPK-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
O=C(NN=Cc1cccc(OC2CCCC2)c1)c1ccccc1	917530524	LPSCVLCQJTYJCM-UHFFFAOYSA-N	308.381	3.772	50	20	DHGD	
CC(C)(CCNC(=O)NNc1ccc(F)cc1)c1ccccc1	920046689	JNVVJLUKFCGVFW-UHFFFAOYSA-N	315.392	3.820	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(Cl)cc2C)c(C)n1	928337185	MPKIBTFXZAEYFN-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
CCN(C(=O)CCl)[C@H](c1cccnc1)c1ccc(F)c(C)c1	1253963403	QDGCITCSCNTHPZ-KRWDZBQOSA-N	320.795	3.706	50	20	DHGD	
Cc1n[nH]c(C)c1[C@H]1CCCN1C(=O)c1cccc(CCl)c1	1358090906	MKESZWWEMBDQIJ-OAHLLOKOSA-N	317.820	3.743	50	20	DHGD	
Cc1ccc(NNC(=O)CC2(CC(=O)O)CCCC2)cc1Cl	1600462976	TYYIKYMUYJGXPM-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)c1	5880458	OXJCVZPLNKGZGG-JXMROGBWSA-N	318.785	3.956	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(F)c(F)cc1F	119801782	OEHGJFMKIIDQFF-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
O=C(NNc1ccccc1)c1ccccc1C(=O)c1cccs1	121045251	BBJBRQPMNUNLNI-UHFFFAOYSA-N	322.389	3.736	50	20	DHGD	
Cn1c(/C(C#N)=C/c2csc([N+](=O)[O-])c2)nc2ccccc21	125606529	LVAUYPOOFHRIKC-IZZDOVSWSA-N	310.338	3.607	50	20	DHGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1c(F)cccc1F	133528258	HMPNGZFARAZZBZ-NSHDSACASA-N	312.360	3.536	50	20	DHGD	
C[C@H](CBr)CN1CCSC[C@@H]1c1ccccc1	133796439	LOKWOCGLOBQEBY-TZMCWYRMSA-N	314.292	3.808	50	20	DHGD	
CC(C)C[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	194746608	JIJFVBXGELAMLD-FEEIMYBTSA-N	312.413	3.584	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2ccc(C(C)C)cc2)cc1	251284163	REDSMTMOCQMDBQ-UHFFFAOYSA-N	310.397	3.648	50	20	DHGD	
CC[C@H](CC(F)(F)F)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490878407	ODGDEJUCEXNZST-SVTZGKHISA-N	314.282	3.580	50	20	DHGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1ccc(F)cc1	491011018	NNSPHBJROJXMBR-XFFZJAGNSA-N	313.357	3.705	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1ccccc1F	491173282	CFBHXJWEBDWYKN-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
BrC[C@H](CN1CCc2sccc2C1)C1CC1	701846309	UMJFOOHFFHQYOJ-GFCCVEGCSA-N	300.265	3.527	50	20	DHGD	
CC(C)CCO[C@@H]1CCN(C[C@@H](CBr)C2CC2)C1	701846839	YLQJGGPPERQBTM-HUUCEWRRSA-N	318.299	3.545	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)CCCc2ccccc21	728694721	HCNGYBUATKJPEJ-GDNBJRDFSA-N	300.789	3.725	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc(F)cc1Cl	728775210	ZSGOEEPYRAUITO-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(OCC#N)c2)s1	729850411	YADWLSUWYMQMQJ-ZROIWOOFSA-N	308.362	3.749	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)s1	733203768	ZORMOTLXRHCMPL-UHFFFAOYSA-N	317.801	3.817	50	20	DHGD	
C[C@H](CCC(C)(C)C)NC(=O)NNc1cc(F)c(F)cc1F	737061022	FUCYUOMSTVUFBL-SECBINFHSA-N	317.355	3.945	50	20	DHGD	
CC[C@@H]1CCC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	741091258	FEZQTJGRAMKUPD-ZJUUUORDSA-N	315.339	3.699	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NNc1ccccc1F	748056767	WIKJKDSCNIQMPJ-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1SCC#N	748552034	WESOFUWPWFTBTB-UHFFFAOYSA-N	315.373	3.507	50	20	DHGD	
C[C@H](CC(=O)NNc1cc(C(F)(F)F)ccc1F)C1CC1	754149150	SZGVKNGFUSRQOH-MRVPVSSYSA-N	304.287	3.724	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(F)cc(F)c1	755403905	IRFQBEGONNXKNO-BLSQECAASA-N	304.340	3.567	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCCCCC1	761274922	WUDMKMLGYVJXJE-UHFFFAOYSA-N	306.431	3.614	50	20	DHGD	
COc1ccccc1C(=O)NN=C1C[C@H](c2ccccc2)C1(C)C	768484269	GPXWIYWDAQAETM-MRXNPFEDSA-N	322.408	3.995	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(F)cc1C(F)(F)F	771885368	WXKQLXDUECYTIO-UHFFFAOYSA-N	316.298	3.875	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1cccc2ccsc12	772833094	GXJKJXUJROPPOU-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1CC2(CCC2)C1	772838650	KMNDJESUISDMQL-UHFFFAOYSA-N	306.406	3.744	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2cnc(C3CCC3)s2)ncn1	773175433	DTNURMOJWSGXDA-WZUFQYTHSA-N	314.439	3.987	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1cc2cc(Cl)ccc2[nH]1	778446933	LBWIHKMVZQFNCF-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCC1CCC(N(C2CC2)S(=O)(=O)CCCCCl)CC1	780700084	KSGJUNPMRHBWTD-UHFFFAOYSA-N	321.914	3.768	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC[C@H](C)C2)c1C	781615160	OQBKLRZQQLSURT-MKSIVCOJSA-N	313.445	3.727	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)C1CCCC1	787185211	YJDDAYNUPPXDEZ-WQLSENKSSA-N	303.745	3.704	50	20	DHGD	
COC[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1ccc(C)o1	788024212	QCDNQVICQRFMJM-CQSZACIVSA-N	313.514	3.887	50	20	DHGD	
CC(C)C(C=NNC(=O)[C@H](C)Oc1ccccc1F)C(C)C	788978701	QTNQOTAUPNQBSX-ZDUSSCGKSA-N	308.397	3.623	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(F)cc1)C(C)C	791452716	QJDYEQIHRSOKNF-UHFFFAOYSA-N	300.215	3.987	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ncccc1F)c1cccc(Cl)c1	804216115	POYCSASJTQKMRX-CQSZACIVSA-N	321.783	3.757	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cccc(F)c2C#N)ccc1[N+](=O)[O-]	811693794	MVUZGDGCEYKEGQ-ZSOIEALJSA-N	307.284	3.978	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2cccc(Cl)c2)s1	814732283	GIBBXUGRNYWTJA-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CC[C@H](Cc3ccccc3)C2)cc1	814823188	CXPLZGXIOJBUJA-QGZVFWFLSA-N	317.392	3.687	50	20	DHGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2c(C)cccc2C(C)C)C1	816782477	YOIPBIVGRDWYMY-CABCVRRESA-N	304.434	3.767	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cccc(Cl)n2)cc1Cl	817005160	HORCMPKGLMZJOR-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
Cc1cc(CNC(=O)NNc2ccc(C(C)C)cc2)cc(C)n1	817786440	VOIVPASJGRVSOQ-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H](C)c1c(C)noc1C	838472571	PSXQSVNYHMHBOK-VIFPVBQESA-N	322.796	3.641	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1	840520459	UEYBGAVNTBINDR-SUTXDAGCSA-N	312.413	3.519	50	20	DHGD	
CSCC1(CC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)CC1	844312664	HJALLLYGLYQSMX-UHFFFAOYSA-N	309.387	3.650	50	20	DHGD	
C[C@@H](CSc1ccccc1)C(=O)N(C)CC(Cl)Cl	848081921	QVUCYTNYSFYONF-JTQLQIEISA-N	306.258	3.677	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCC[C@H]1c1ccccc1	855466793	XTSHBTAZAALCMS-LSDHHAIUSA-N	315.804	3.762	50	20	DHGD	
CCCN(N=C1CCCc2ncccc21)C(=O)OC(C)(C)C	872372828	OVTHITQVNUKEBM-UHFFFAOYSA-N	303.406	3.769	50	20	DHGD	
CCCCCOc1ccc(C=NNC(=O)C2CCCC2)cc1	914836439	MAVCJJAEBOKJDI-UHFFFAOYSA-N	302.418	3.896	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(Cl)s1	915921860	MWFJFOCVVDOQOP-UHFFFAOYSA-N	321.833	3.662	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2c(C)cc(C)cc2C)c1	916295768	CUUXHDPYAOYQPS-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(C)s2)cc1	916345575	HCRUXOQDTMKMKO-UHFFFAOYSA-N	304.440	3.607	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)C=C2CCCCC2)cc1	919838703	JMEBBGJNFSGXQC-UHFFFAOYSA-N	314.429	3.636	50	20	DHGD	
CC[C@@H]1CSC(=Nc2ccc(Cl)cc2)N1C(=O)CCl	1336911036	IJPOZFGRCJOMDM-LLVKDONJSA-N	317.241	3.920	50	20	DHGD	
Cc1n[nH]c(C)c1[C@@H]1CCCN1C(=O)c1cccc(CCl)c1	1358090905	MKESZWWEMBDQIJ-HNNXBMFYSA-N	317.820	3.743	50	20	DHGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ccc(Cl)cc1C	1522162395	XTLYGRGOUXXPJH-LLVKDONJSA-N	306.797	3.573	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1OC	7714429	OYDOKZNRHOABQT-XNTDXEJSSA-N	323.348	3.951	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(C)c1	78494061	QJMZABYSRAIJHW-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)c1	113415998	QFSRXFMVOQNPCK-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccccc1Cl	114111665	FSDMLLKNKBFMDB-UHFFFAOYSA-N	312.200	3.644	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2c(C)cccc2C)cc1	120985279	ZJHJCXDQJFTVPJ-GZTJUZNOSA-N	320.392	3.535	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc(OC(F)F)cc1	122703502	PEHJUUHONMNXSC-LLVKDONJSA-N	312.360	3.948	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(F)c(F)cc2F)c1	128693355	AVAVHVXZRQDDKW-WUXMJOGZSA-N	316.282	3.958	50	20	DHGD	
COc1cccc2cc(C(=O)NNc3cc(C)ccc3F)oc12	150779556	NPQZSBMPTXFXCH-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	154305045	RMKYCSCNNZODTG-DHDCSXOGSA-N	322.320	3.702	50	20	DHGD	
COc1ccc(C(F)(F)C(=O)NNc2cc(C)ccc2C)cc1	161113496	ZVCRUWNSJTVBKY-UHFFFAOYSA-N	320.339	3.547	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	171157707	WOJUXGHKNBXFAP-YHYXMXQVSA-N	316.710	3.790	50	20	DHGD	
CCOc1cccc(C(=O)NNc2ccc(Cl)c(F)c2)c1	175442368	HRSIDLBTAUGWRV-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H]2C[C@H]2c2cccc3ccccc23)c1	176759007	MMYLEABYZUXQJG-ZWKOTPCHSA-N	317.392	3.790	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1scnc1C1CCCC1	184317690	IOCMEUWGFYOUSR-UHFFFAOYSA-N	322.821	3.606	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@@H](C)c1cccc(F)c1	184366538	FTAVDKPXJFKBQC-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	190186118	ITGQAEFDFFGEAL-UHFFFAOYSA-N	324.302	3.905	50	20	DHGD	
CCc1cc(O)ccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	191065435	BIAAUUWDUPMWEJ-ZROIWOOFSA-N	310.328	3.639	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1ccccc1F	198286526	PMZZQERRXXLXMK-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc3c2OCO3)c(C)c1	207695341	WMNXENCYAVNQDQ-DHDCSXOGSA-N	320.348	3.578	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1coc2ccccc12	255121460	KGRFKTANKMHFJW-RAXLEYEMSA-N	318.332	3.987	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)c1ccsc1	255831318	KBNKJMJHZHLEAE-XNTDXEJSSA-N	305.362	3.724	50	20	DHGD	
CCc1nocc1/C=C(\C#N)C(=O)Nc1c(C)cc(C)cc1C	491079795	BOWAAUVFMVBCRX-RIYZIHGNSA-N	309.369	3.708	50	20	DHGD	
FC1(F)CC12CCN(C[C@H](CBr)C1CC1)CC2	701843995	CFLUQTZWEJIBBV-NSHDSACASA-N	308.210	3.529	50	20	DHGD	
C[C@H](CC(=O)NNc1cnnc2ccccc12)CC(C)(C)C	733808600	AHFAZFPVJBTTEU-GFCCVEGCSA-N	300.406	3.535	50	20	DHGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNc1c(F)cccc1F	735756833	HWZNRRFCVKLVAS-HNNXBMFYSA-N	317.339	3.587	50	20	DHGD	
C/C(C=NNC(=O)Nc1ccc(C(=O)O)cc1)=C/c1ccccc1	743444442	KTGVKKMEHASKJI-IPVBNDNJSA-N	323.352	3.596	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3ccc(Cl)cc3[nH]2)cc1	746887294	SPLHRJOQNUETGS-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)c(F)c1	748021780	KKCCYCOIQDOZJN-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)o1	764411671	NHFAXRZDSIDUCH-MDWZMJQESA-N	307.305	3.962	50	20	DHGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	766026133	STLMSACVIFVRPP-SNVBAGLBSA-N	316.430	3.680	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ncccc2Cl)cc1	768062015	BLYJTQZPJDRFSY-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
O=C(NN=CCCCc1cccc(C(F)(F)F)c1)C1CCC1	769779058	IVHLRLUGMLMNFV-UHFFFAOYSA-N	312.335	3.930	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21	777398619	VLCXDFLWNLMJIO-ULKYHWGZSA-N	324.424	3.615	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ccccc2OC(F)(F)F)C1	779201346	GEOFTHVZDHYXGV-QLWWJYNRSA-N	314.307	3.775	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(Br)cc1F	780991960	JWMKQJFWTBBBOH-HJWRWDBZSA-N	315.186	3.778	50	20	DHGD	
CC(C)C[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	781096039	DOGUGPMHVVWKSI-NWDGAFQWSA-N	304.272	3.691	50	20	DHGD	
COc1cc(NC(=O)[C@H](Br)C(C)(C)C)ccc1F	781583695	VEXMFGAJNJGQKT-NSHDSACASA-N	318.186	3.582	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)c1C	782199967	KCBUCKXPNBPFON-SDQBBNPISA-N	311.362	3.853	50	20	DHGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)c1ccc2ncccc2c1	794885264	PSHQLJATVMTUQU-OVCLIPMQSA-N	315.357	3.958	50	20	DHGD	
C=C(CBr)COC(=O)C[C@@H]1CCc2ccccc2C1	795511191	WNTSZCKNFWYHCO-CYBMUJFWSA-N	323.230	3.676	50	20	DHGD	
COc1cc(NC(=O)NNc2c(C)cccc2F)c(C)cc1C	797676396	GOZRDPWOGMGFCA-UHFFFAOYSA-N	317.364	3.908	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)Nc1ccccc1	801988918	WLYMAFFNUOANTP-QGZVFWFLSA-N	305.422	3.836	50	20	DHGD	
CC[C@@H](NCc1ccc(OCCCCl)cc1)[C@H]1CCCO1	811485503	NYGXVHDDNYMXIR-IAGOWNOFSA-N	311.853	3.742	50	20	DHGD	
Cc1cc(C(=O)/C=C/c2ccc(OCCCCl)cc2)n(C)n1	811693243	GPXPFHNVWKSNKY-RMKNXTFCSA-N	318.804	3.632	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cn1	812242732	UKOSHNXSCPBYTO-BJMVGYQFSA-N	303.680	3.846	50	20	DHGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)c1ccc([N+](=O)[O-])cn1	812245833	YYDOIJVKYBWPMN-KMKOMSMNSA-N	303.680	3.846	50	20	DHGD	
CCC(=NNC(=O)c1cc2ccccc2cc1O)c1ccco1	814694359	HAHBITVLHMZJFV-UHFFFAOYSA-N	308.337	3.683	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1cccc(Cl)n1	817011299	NRPURSPHLHCHKY-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
CCCCCN(C(=O)NC[C@]1(C)C[C@@H]1Br)C(C)C	856953156	GDYRZTLIGIFJJV-JSGCOSHPSA-N	319.287	3.770	50	20	DHGD	
N#C/C(=C\c1cccc2ncccc12)C(=O)NC1CCCCC1	871598478	QIXMBRQGIOFWJY-NTCAYCPXSA-N	305.381	3.591	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C[C@H]2CC=CCC2)c1	915906868	RUHHPSGYIUAGON-INIZCTEOSA-N	314.429	3.956	50	20	DHGD	
O=C(NCc1cc2ccccc2s1)NNc1ccc(F)cc1	920812331	WJZCLXQELWGNCG-UHFFFAOYSA-N	315.373	3.867	50	20	DHGD	
CC(C)(CO)[C@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1123856894	YMPAQGJBGMVOMA-UYSNPLJNSA-N	323.864	3.660	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1n[nH]c2c1CCCC2	1321482939	NIHOONRZLMUWAL-AWEZNQCLSA-N	316.449	3.777	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccn2C2CC2)cc1	1331386795	LYVJXOWUWYHWCF-NTCAYCPXSA-N	305.381	3.931	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cnc(C2CC2)s1	1340179126	MOKBKLCMSCQAAS-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
O=C1CCCc2cc(NC(=O)C3CCC(Cl)CC3)ccc21	1347046434	ACTQIBQIPHSCJQ-UHFFFAOYSA-N	305.805	3.942	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cccc(F)c1C(=O)O	1609817381	GDQJOFLLHANEPK-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1OC	16882519	QSHATAXIUVWHCO-GXDHUFHOSA-N	311.337	3.867	50	20	DHGD	
O=C(NCc1ccoc1)NN(Cc1ccccc1)c1ccccc1	47088170	MGSJBPXOAKRBQC-UHFFFAOYSA-N	321.380	3.701	50	20	DHGD	
CC(C)CCO[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)c1	103276869	IPNOXWBQUIXGFA-NSHDSACASA-N	318.339	3.600	50	20	DHGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)C(N)=C(C#N)C#N)c1	105356826	NYYOHNJUHYETIL-YVLHZVERSA-N	310.360	3.829	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2OC(C)C)c1	150805243	LQASBQKHCVBANT-UHFFFAOYSA-N	302.349	3.678	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1nc(C(F)(F)F)cs1	152925133	UKBBRJQIRBDHPG-MRVPVSSYSA-N	309.357	3.677	50	20	DHGD	
O=C(NNc1nc(C(F)(F)F)cs1)C1CCCCCCC1	176829258	XZBDEDSPGIUVNV-UHFFFAOYSA-N	321.368	3.966	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1cc(F)c(F)cc1F	178382787	WQTXWLZBCLDFDM-UHFFFAOYSA-N	322.330	3.833	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(F)c1F	181291420	ZCMAONFPEZFAFP-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	182070913	LCOYIIUISWRSSS-YYTPVVGHSA-N	324.355	3.619	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCN(c2cccs2)CC1	255252756	VZXHKCSMCJXRCF-FRKPEAEDSA-N	313.401	3.574	50	20	DHGD	
CSSCCNC(=O)c1ccc(F)c(C(F)(F)F)c1	397832361	ZDFBQKLPRUNQIF-UHFFFAOYSA-N	313.341	3.586	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)Nc1ccccc1	490701171	WLUQNYIOBUUHFE-DHDCSXOGSA-N	320.348	3.547	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cnc(Cl)c(C)c1	490725734	KAOPFPYSOIHEOF-ZSOIEALJSA-N	311.772	3.898	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C#N)cc1F	490755825	WYWUWGNMKQAEEW-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
CCc1cnccc1[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490839151	CIYNFPUDHZTSIT-BVTUPMQUSA-N	323.371	3.567	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2cc[nH]n2)C1	616617800	KJNZZLFFFBZJSZ-AWEZNQCLSA-N	309.530	3.611	50	20	DHGD	
CCC(=NNC(=O)c1cccn1C)c1ccc(Cl)c(Cl)c1	725846118	WHFLBMMFVPPQFJ-UHFFFAOYSA-N	324.211	3.876	50	20	DHGD	
COCC(CC(C)C)=NNC(=O)c1c(Cl)cccc1Cl	730732143	CTYLGCUFAYHEDB-UHFFFAOYSA-N	317.216	3.772	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1ccc(Cl)cc1	731320199	JKJOTCUULHKYDK-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2occc2s1	736680385	JQCIEWHWYJHGIS-UHFFFAOYSA-N	312.272	3.669	50	20	DHGD	
CC(C)CC(=NNC(=O)COCc1ccccc1)c1ccccc1	737437604	YQMIHWSWYFLCOY-UHFFFAOYSA-N	324.424	3.770	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CCNC(=O)NNc1ccc(Cl)nc1	745820199	MWKPCGAGAJKVAX-NWDGAFQWSA-N	310.829	3.578	50	20	DHGD	
CC1(C)C[C@@H]1C(=O)NNc1ccc(Br)cc1Cl	752146131	LHJGSEFJGKGQFF-MRVPVSSYSA-N	317.614	3.592	50	20	DHGD	
Cc1ccc(O)c(C(=O)NNc2cc(Cl)ccc2Cl)c1	752811064	PTQQNCBYCAXYNS-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2cc(C)ccc2F)cc1	760134037	NTJMICDWEWNNQN-UHFFFAOYSA-N	300.377	3.772	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cnc1Cl	760209091	DDJARCVDOBNIJX-QPEQYQDCSA-N	300.720	3.972	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc[nH]1	760862960	OWDQTZUFYNKSBJ-QMMMGPOBSA-N	313.188	3.709	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@H]1CC12CCCC2	761584640	IDYNPMZXGRHYJE-GFCCVEGCSA-N	314.307	3.609	50	20	DHGD	
CCC[C@H](C(=O)NNC(=S)Nc1cc(C)ccc1C)C(C)C	763546765	DQNUBRLAJUFARE-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)o1	764416052	CILMPINAUSDBFG-WDZFZDKYSA-N	324.311	3.836	50	20	DHGD	
CC(C)(CCC(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768494736	FBQBFNFREOAVRZ-UHFFFAOYSA-N	322.412	3.764	50	20	DHGD	
O=C(CCc1ccccc1)NN=CCSCc1ccccc1	774379955	ZBYOYMAHBKMDBX-UHFFFAOYSA-N	312.438	3.655	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(C#N)c(F)c1	776766346	FOLNUGPEHZUFIZ-UHFFFAOYSA-N	310.332	3.552	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1OC(F)(F)F)C(C)(C)C	779216385	GIHAVKBOIIEVQU-SECBINFHSA-N	304.312	3.711	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNc1ccnc(F)c1	781359155	DVAAXHWSFWRXEL-OAHLLOKOSA-N	307.413	3.906	50	20	DHGD	
CC(C)C(CCc1ccc(Cl)cc1)=NNC(=O)C(F)F	782235159	NJSDPJZQTVKKSS-UHFFFAOYSA-N	302.752	3.666	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2CCCC[C@H]2C)cc1	783832736	TZVFGGXLMDTRCE-GDBMZVCRSA-N	302.418	3.556	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)c1nc(-c2ccccc2)no1	794872640	KVIJZEHCXSITLJ-UVTDQMKNSA-N	305.341	3.578	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccccc2)CCCC1	808248555	MZPBPLFEMTZWHR-UHFFFAOYSA-N	300.229	3.761	50	20	DHGD	
Cc1ccc(SCC(=O)N(C)CC(Cl)Cl)c(C)c1	816628459	XFNUKKPZCLWYNS-UHFFFAOYSA-N	306.258	3.658	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCC[C@H]1c1ccccc1	825915768	ZPLMOBNEUMTPFZ-UONOGXRCSA-N	316.351	3.992	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCC[C@@H]1c1ccccc1	826529972	DZFPAJOPVDYPCZ-CABCVRRESA-N	315.804	3.762	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(C)cc2Cl)CCO1	836935824	BUZVTQHTCXWNAJ-CHWSQXEVSA-N	310.825	3.687	50	20	DHGD	
CNCc1ccccc1NC(=O)NNc1ccc(C(C)C)cc1	841308713	SXTHSXSNWYTDFH-UHFFFAOYSA-N	312.417	3.678	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Cl)nc(C3CC3)c2)cc1	848371267	RAIDVLOMSIJYHX-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
COc1ccc([C@H](C)NC[C@@]2(C)C[C@@H]2Br)cc1F	851894255	XDGCMRQUNYHHRD-QCZZGDTMSA-N	316.214	3.658	50	20	DHGD	
CCC1(C(=O)NNc2ccc(Cl)cc2Br)CC1	856232604	MVVBAPHBHWNKRA-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
COc1cccc([C@H](C)NC[C@@H](CBr)C2CC2)c1	859227118	YUZMTHLJGNZIEF-SMDDNHRTSA-N	312.251	3.767	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)OC[C@H](CBr)C2CC2)o1	859577654	YXGCRMHORPCEFV-PWSUYJOCSA-N	315.207	3.656	50	20	DHGD	
Cc1cccc(NNC(=O)CCSc2ccc(C)c(C)c2)n1	862524913	BNAJGYIEAPSSFB-UHFFFAOYSA-N	315.442	3.632	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2cc(Cl)ccc2C)cc1C	885126572	ATHAKFAUNIDANK-LLVKDONJSA-N	320.824	3.881	50	20	DHGD	
CSc1ccc(C)c(NC(=O)[C@@]2(C)C[C@@H]2Br)c1	907226736	KJTKATBMOQJLRH-AAEUAGOBSA-N	314.248	3.829	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(-c3cccc(F)c3)no2)c1	915638576	GLOQTTFPVXRVQR-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CCOc1ccc(C(=O)NN=C/C=C/c2ccccc2)cc1OC	916347746	JZRXDPNBQKOYTO-UAPMUVCSSA-N	324.380	3.523	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2ccc(Br)s2)C1	916357006	VICUUNVROAWUGQ-MRVPVSSYSA-N	315.236	3.807	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)cc1	916998137	KRQITFFZZXQZHR-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNC(=O)c2ccc3ccccc3c2)c1	918111866	IIOLJDJVSRKJCS-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CC23CCSCC3)c(C)c1	1117798368	RIANAICBEAZUNX-CQSZACIVSA-N	304.459	3.588	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)c1ccc(Br)cc1	1261373823	RSIPZWOJFUHEKU-UHFFFAOYSA-N	322.206	3.639	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc2c(c1)ncn2C	1319556147	DBTYFFUKIVBLFN-OQLLNIDSSA-N	301.349	3.672	50	20	DHGD	
O=C(N[C@@H](CCCO)c1ccccc1)c1cccc(CCl)c1	1335854007	CAWCJTUHTJQJGR-KRWDZBQOSA-N	317.816	3.669	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2ccc(Cl)cc2)C1)c1ccon1	1552335984	VFFNCXBCNSSIHF-LBPRGKRZSA-N	317.776	3.772	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc(OC)c1	6284583	KSKHNAIUEXREQN-VIZOYTHASA-N	323.348	3.502	50	20	DHGD	
N#C/C(=C\c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)O	7336719	CLNBPKJOXHIBLU-NTEUORMPSA-N	313.740	3.911	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1Br	96438129	YAEOWQRTUSIGNI-XFFZJAGNSA-N	322.202	3.980	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2sccc2C)cc1	100110177	SINHZJBZAVAOAK-ZROIWOOFSA-N	303.408	3.703	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	101907118	LDONZPZCLCVRME-GZTJUZNOSA-N	302.418	3.664	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@@H]1CCCCO1	121784174	VBHHOJCKJOQUTH-QWHCGFSZSA-N	304.477	3.813	50	20	DHGD	
CC(C)CCSCC(=O)NNc1ccc(OC(F)F)cc1	122035673	PNCDXZPJFCLKRO-UHFFFAOYSA-N	318.389	3.510	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2c(F)cccc2Cl)c1	126660032	NKUCQGVZVLCTQQ-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc3cccnc23)cc1	155498473	DZFCQRIVXOSZLB-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1SCCc2ccccc21	158251451	SYEBALZVTPMGKS-OAHLLOKOSA-N	318.829	3.814	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)cc1	158694248	RPGDJRQXIIAMCZ-KGLIPLIRSA-N	302.324	3.520	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1	170957501	KZTDBQWNPASYSZ-NTEUORMPSA-N	300.383	3.541	50	20	DHGD	
Cc1cnc(CNC(=O)CCCC[C@@H]2CCSS2)s1	172714958	QUGAIHAKCDSHHX-LLVKDONJSA-N	316.517	3.782	50	20	DHGD	
C[C@@H]1Sc2sccc2C(=O)/C1=C\c1cnn(CCCl)c1	172819449	LHEYNGHCCYRZQP-TXEUWIOXSA-N	324.858	3.944	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cccc(F)c1Cl	173747206	PSCRIJPJASBHGN-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccccc2Cl)s1	178978697	KQOQMMRPKNUSMT-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
O=C(NNc1ccncc1)c1cc2c(s1)-c1ccccc1CC2	180457632	NZNPABMCJSSUAR-UHFFFAOYSA-N	321.405	3.666	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2ccc3ccccc3n2)c1	181085182	VCQGXEFUJPSEDG-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1nccc2ccccc12	181138169	UVQQKHUZRDDUBM-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc(C(F)F)c1	194519929	VMWUCFVKHHKVES-MDWZMJQESA-N	314.291	3.875	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(Cl)s1	490813934	SGDOHBBIXSTLRF-XFFZJAGNSA-N	320.776	3.764	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1	490940410	IUGMTMNPUFTBJR-BQYQJAHWSA-N	323.324	3.616	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cccc(C)c1C	731150681	DBZSTZSCCKIHPX-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(O)c(F)c1)c1ccccc1	731932076	YAXIMUVGIVNDJQ-OAHLLOKOSA-N	314.360	3.565	50	20	DHGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)sc1C	741582199	VBUBUPNBLGMSPJ-UHFFFAOYSA-N	324.405	3.593	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccc(Cl)c(F)c3)CC2)c1	746696150	UFHGCAXRJUVYHT-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@H]2CC23CCCC3)cc1C(F)(F)F	747516902	QPEYMGOPYDDGML-CYBMUJFWSA-N	323.318	3.600	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1)c1cccc2ncccc12	747751223	JGEJJQNJDLJRDG-CUDOPWKRSA-N	319.339	3.803	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2ccccc2F)cc1	748049210	DSPKLVLTTBHOFF-UHFFFAOYSA-N	300.377	3.710	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)c2ccc3ccccc3c2)C1	749848999	RXTVQXKDJCCRHZ-HUUCEWRRSA-N	324.424	3.817	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)C[C@H]2C[C@H](C)c3c(C)cccc32)n1	754174717	UFOYJKHIVCQQGA-SWLSCSKDSA-N	324.428	3.526	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ccc2c(c1)CCC2	754544742	ZPPQMVLQEXTYIR-ZDLGFXPLSA-N	319.360	3.531	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2ccc(F)c(F)c2F)C1	756013565	YETVITGUJATINM-SECBINFHSA-N	300.324	3.763	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	758014876	FEORKRHRXXHNMI-NTBKVEBNSA-N	304.340	3.734	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)NC2CC2)cc1)C(=O)C1CCCCC1	767715399	VJEHJMGJQCRZIY-SFQUDFHCSA-N	322.408	3.635	50	20	DHGD	
C[C@H]1Cc2ccccc2CN1C(=O)[C@H](Br)C(C)(C)C	768188310	UKNNDHVJKXATKS-FZMZJTMJSA-N	324.262	3.769	50	20	DHGD	
C[C@@H]1Cc2ccccc2CN1C(=O)[C@H](Br)C(C)(C)C	768188311	UKNNDHVJKXATKS-RISCZKNCSA-N	324.262	3.769	50	20	DHGD	
COCc1ccc(NC(=O)[C@H](Br)C(C)(C)C)cc1	769522966	LPPURIDOWVLTKO-LBPRGKRZSA-N	314.223	3.581	50	20	DHGD	
C[C@H](CBr)CN1CCc2cc(F)ccc2[C@@H]1C	770654185	PYCYLOIUXUUZKC-MNOVXSKESA-N	300.215	3.776	50	20	DHGD	
CCc1coc(NC(=O)CCCC[C@H]2CCSS2)n1	774248041	ZTLWNHAOBVLRJB-NSHDSACASA-N	300.449	3.890	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cnc3ccccc3n2)cc1	774790513	HOCOBNVKIKGVKM-UHFFFAOYSA-N	320.396	3.585	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1[nH]c2ccccc2c1Cl	778446915	JWRDAARSDQBBEV-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
C[C@H](Cc1cccs1)NC(=O)[C@@H](Br)C(C)(C)C	781090173	YOSWDVOAGHIPRE-MWLCHTKSSA-N	318.280	3.605	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@H](C)[C@H]2C)cc1OC	781122302	SDLYQXMAVZFZAK-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)Cc2ccccc2OC)C1	783832791	UUJSJYBSLGYYAU-LSDHHAIUSA-N	302.418	3.556	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(F)cc1F)C1CC1	791448660	MKYNNVJMDDTHGP-UHFFFAOYSA-N	316.189	3.880	50	20	DHGD	
CCCCn1ncc(NC(=O)NNc2ccccc2)c1C(C)C	792496133	KJSRDGZRSLBPFL-UHFFFAOYSA-N	315.421	3.955	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)Cc1ccccc1F)c1ccccc1	794510496	PLPITLXUIXSAOA-KRWDZBQOSA-N	312.388	3.910	50	20	DHGD	
Cc1nc2cccc(C(=O)NNc3ccc(C(C)(C)C)cc3)c2[nH]1	801948216	SHMSSGAHKBHGRO-UHFFFAOYSA-N	322.412	3.926	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1OCC#N	812765125	WWNPEOLOOXKISJ-UHFFFAOYSA-N	323.396	3.778	50	20	DHGD	
CCC(=O)NN=C(Cc1c(F)cccc1Cl)c1ccoc1	814708632	PPZIAZYQSRHRRR-UHFFFAOYSA-N	308.740	3.545	50	20	DHGD	
N#C[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	814761796	CTDVQFOSMRDAEK-VIFPVBQESA-N	310.184	3.793	50	20	DHGD	
CC[C@H](C=NNC(=O)Nc1ccc(OC)cc1)c1ccccc1	814997614	WUOHUFKKGXLTBW-CQSZACIVSA-N	311.385	3.996	50	20	DHGD	
COc1ccc(NNC(=O)CCC2CCC2)c(C(F)(F)F)c1	816702757	BCIVUMXVQCKYFB-UHFFFAOYSA-N	316.323	3.737	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccccc2SCC)cc1	817904387	DVTFTOQKFBCQEJ-UHFFFAOYSA-N	316.426	3.954	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(CC)(CC)C2)cc1	818113200	HFVSKKNOLWVYLJ-WJDWOHSUSA-N	312.413	3.641	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NOc2ccccc2)c1C	820044219	YSDCOKWIRJNJOI-SFQUDFHCSA-N	323.396	3.532	50	20	DHGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2cccc(Cl)c2Cl)C1	838344361	FSBWASLBRSNGNL-NXEZZACHSA-N	317.216	3.642	50	20	DHGD	
O=C(NNc1ccccc1)c1csc(C2CCCCC2)n1	839486230	POPPUZYXXVNQDQ-UHFFFAOYSA-N	301.415	3.948	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	843896668	CCEPEOLJWWFLCD-LLVKDONJSA-N	313.323	3.680	50	20	DHGD	
Cn1cnc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)c1	852210136	ZCTOPRKORHJHEI-UHFFFAOYSA-N	323.557	3.654	50	20	DHGD	
Cc1ccc(N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nn1	853897888	VFOZKRBLAJRQDA-CQSZACIVSA-N	307.514	3.776	50	20	DHGD	
CCN(C[C@H](CBr)C1CC1)[C@@H]1CCOC(C)(C)C1	859307002	IBMIIZDWMYOMLV-UONOGXRCSA-N	318.299	3.687	50	20	DHGD	
CCS[C@H](C(=O)NNc1cccc(F)c1Cl)C(C)C	862510082	SDOKOSMVKKRMSO-LBPRGKRZSA-N	304.818	3.700	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)C(C)C)c1C	915166975	SPKWGFYBGFUQGN-CLXYIWAZSA-N	315.461	3.925	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(N2CCCCC2)cc1	915967852	SWZYSCQWSJHZKW-UHFFFAOYSA-N	301.434	3.563	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)Cc2cccs2)c(C)c1	916509908	ZHVXUWJAYWYMFY-CQSZACIVSA-N	317.458	3.931	50	20	DHGD	
CCCCN(C)CCP(=O)(c1ccccc1)c1ccccc1	916974266	AYCHRKQDNXQUJY-UHFFFAOYSA-N	315.397	3.732	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(C(C)C)nc2O)c(C)c1	935021452	BOSWLMPIBWGYJW-UHFFFAOYSA-N	313.401	3.593	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC(C(F)(F)F)CC2)cc1O	1119358502	YXTFTZNQXJBSQG-UHFFFAOYSA-N	314.307	3.539	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1cccc2c1CCCC2	1256638249	BKIDKJYANUUTME-UHFFFAOYSA-N	305.381	3.502	50	20	DHGD	
Nc1ccc(C=NNC(=O)c2cccc3ccccc23)c(Cl)c1	1324103982	ZPFHJRCHLNRSAS-UHFFFAOYSA-N	323.783	3.839	50	20	DHGD	
Cc1ccc(NC(=O)NNc2c(C)cccc2F)c(Cl)n1	1350156306	GXGQVXXAYLKVEA-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1csc2ccc(C(=O)O)cc12	1776296697	YCLTZPRGCXHRKC-BJMVGYQFSA-N	317.341	3.824	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	14176685	SOSWMDFQDBCCMU-UKTHLTGXSA-N	314.385	3.986	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)c1	89456469	QNKZZZQEDAKJRJ-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
O=C(NNc1ccncc1)Nc1cccc(OC2CCCC2)c1	121827268	WWLJOQKCGSGVBI-UHFFFAOYSA-N	312.373	3.552	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)CCC(C)(C)C	133388152	XGKMDIHIYWNTNA-CYBMUJFWSA-N	320.437	3.546	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1c[nH]cc1-c1ccc(F)cc1	154828519	MQWIQKBAWKCJEK-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
CC[C@H](C)c1ccccc1OCC(=O)NNc1ccc(C#N)cc1	155491642	HEHAWYLOFJYJEC-AWEZNQCLSA-N	323.396	3.594	50	20	DHGD	
C=CCC(CC=C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	156567340	VCVLLOWDCASTEO-UHFFFAOYSA-N	321.808	3.570	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2ccc(OCC(C)C)cc2)cc1	158905325	ABPCYTSEVXEWHZ-UHFFFAOYSA-N	312.413	3.716	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2ccc(F)cc2C)cc1	160784949	RSFUPKBBFDAKSU-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1coc(-c2ccccc2)n1	184330320	XZUUDZMNXGZMMJ-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CCCCCCOc1cccc(/C=C(\C#N)C(N)=C(C#N)C#N)c1	195288970	RQTBGXGOLJGPFA-MHWRWJLKSA-N	320.396	3.813	50	20	DHGD	
Cc1cnc(COC(=O)CCCC[C@@H]2CCSS2)cn1	195413524	KTTPDWUWODTEGD-CYBMUJFWSA-N	312.460	3.542	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1Br	255035980	VOHLIICHIQAUBF-GHXNOFRVSA-N	322.202	3.980	50	20	DHGD	
N#C/C(=C/c1ccsc1)C(=O)NCc1cccc(Cl)c1	490691485	FUUNBPLYEFJOPT-MLPAPPSSSA-N	302.786	3.625	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1csc(-c2ccsc2)n1	490733266	HATOSXDRFLYLOD-UHFFFAOYSA-N	309.416	3.730	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1ccccn1	727781322	JDOXDBLBGFTELY-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3c(F)cccc3s2)cc1	729273522	WBFDEDPKVSLRCR-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
COc1ccc(NNC(=O)c2csc3c2CC[C@@H](C)C3)cc1	729274084	NRPOZYNRNCZVRP-LLVKDONJSA-N	316.426	3.638	50	20	DHGD	
C/C(C=NNC(=O)CCc1ccccc1O)=C\c1ccccc1	729938091	OQWUMXMECCRKDT-SHQWNLCCSA-N	308.381	3.530	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ncccc2Cl)o1	734247561	QGUAGUAGKPSEHT-JQWIXIFHSA-N	319.792	3.527	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCc2cc(F)ccc21	734299892	YYLQUGHDVOHMFY-UHFFFAOYSA-N	310.372	3.615	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)c2ccc(C#N)cc2)C2CC2)cc1	741839943	YRAICUDNCMFXPU-UHFFFAOYSA-N	317.392	3.605	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	745874705	COTKXXBAHMAABO-SDDRHHMPSA-N	309.360	3.560	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	748000916	YDKIICYHENEYFX-ZDUSSCGKSA-N	305.378	3.644	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)OC2CCCCCC2)c1	748365202	WUAXABVHSGWGCX-HNNXBMFYSA-N	304.434	3.874	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1c1ccccc1)c1ccccc1O	751382185	OAEQLMZTXWNHQM-HNNXBMFYSA-N	308.381	3.836	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC=C(c2ccccc2)C1	752758233	NOUSPGAQMSBXQT-LDADJPATSA-N	318.351	3.658	50	20	DHGD	
CC[C@@H]1CC(=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCO1	756823521	KCWIUHMVSXIACW-BXUZGUMPSA-N	320.458	3.548	50	20	DHGD	
CC(C)(C)C[C@@H](NC(=O)NNc1ccc(F)cc1)C(F)(F)F	760051720	HKXQGNGLBZHCSL-LLVKDONJSA-N	321.318	3.819	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ncnc2ccsc12	766678051	FKLNIAWMIPVEEV-LLVKDONJSA-N	306.435	3.741	50	20	DHGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)NCc1ccccc1	767340960	KXTVPKJHVAHPBJ-MHWRWJLKSA-N	310.784	3.872	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccc(F)cc1C	768310485	CUUHPORTKXPWKJ-CZUORRHYSA-N	308.397	3.563	50	20	DHGD	
CCC[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768506845	IJSZRCDECNNCJA-CQSZACIVSA-N	308.385	3.590	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccc(Br)cc1	769607026	XRYNXTIYFGZKLJ-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1[nH]c(-c2ccccc2)nc1C	771699041	RTEKDIIEUNSMLP-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CCc1cnccc1[C@@H](C)NC(=O)NNc1ccccc1Cl	774332636	LUKBRFFOGKBBQL-LLVKDONJSA-N	318.808	3.685	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1ccc(C(F)(F)F)cn1	775247906	HTZMFLPVWLUNLV-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@H](C)[C@H]2C)o1	781122851	OHKRDTCSXARBDW-UONOGXRCSA-N	319.449	3.663	50	20	DHGD	
CCCC(=NNC(=O)c1ccccc1OC)c1ccsc1	785453859	NUQICBLRWWPHNH-UHFFFAOYSA-N	302.399	3.691	50	20	DHGD	
O=C1CC[C@H](C(=O)NNc2ccccc2Cl)c2ccccc21	786426833	JZMKQAHMZGNGIZ-ZDUSSCGKSA-N	314.772	3.543	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3ccc(C)s3)cn2c1	789143732	QZGCCQZDEYHFMK-NTUHNPAUSA-N	307.378	3.803	50	20	DHGD	
COc1cc(NNC(=O)/C=C\c2cccs2)ccc1Cl	790166417	ZMYNGYKXOGKTBH-ALCCZGGFSA-N	308.790	3.567	50	20	DHGD	
CSc1cccc(C)c1NC(=O)NNc1ncccc1C	792371823	DQMIPTBMWOLSHB-UHFFFAOYSA-N	302.403	3.569	50	20	DHGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NN(c1ccccc1)c1ccccc1	799854633	QXZCXPJGJPRBHI-HDMKZQKVSA-N	310.397	3.669	50	20	DHGD	
O=C(NNc1ncccc1F)c1cc2c(s1)CCCCCC2	804214799	QTBGNJFQCMGTHW-UHFFFAOYSA-N	319.405	3.698	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccnc3ccncc23)cc1	807212103	QOMBKOMCHWFNBM-UHFFFAOYSA-N	320.396	3.684	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCC1CCOCC1	808733896	DRGJOVUKYOCXBX-UHFFFAOYSA-N	301.547	3.757	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)cc1C	809146656	RGRIZLTWHQCMSN-YVLHZVERSA-N	319.360	3.865	50	20	DHGD	
Cc1ccn2ncc(C(=O)NNc3ccc(C(C)(C)C)cc3)c2c1	828101700	VDTKUKAROXHCGN-UHFFFAOYSA-N	322.412	3.697	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc2ccccc2cc1OC	834401461	YDMQALJQTSXMRO-BOPFTXTBSA-N	308.381	3.672	50	20	DHGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)[C@H]1CCCC[C@H]1C	834923106	XXCOPCMKEUFCTB-DOMZBBRYSA-N	312.417	3.575	50	20	DHGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)C1CCC1	837494710	CCKJJCPWYAYSLQ-QMMMGPOBSA-N	304.287	3.724	50	20	DHGD	
Cc1cc(C(=O)NNC(=O)C(C)(C)C)sc1-c1ccccc1	847345019	ARQXHCCVVPLUPX-UHFFFAOYSA-N	316.426	3.531	50	20	DHGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cccc(Cl)n1	853411288	FDHLXBLUICNVMS-RYUDHWBXSA-N	305.809	3.811	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2OCC(C)C)cc1F	856229399	IXEBXROVGOLXHM-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CC[C@@H](C(=O)NNc1ncc(F)cc1F)C1CCC(C)CC1	857533287	QYBLKSMONJMADY-GCZXYKMCSA-N	311.376	3.655	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)Nc1cnn(C2CCC2)c1	898041858	CGUIRNKNRCATFT-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccc(C)s1	917027787	IEOLLDPGGGNROM-GFCCVEGCSA-N	320.389	3.503	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(C3CC3)nc2C)c(C)c1	1117756172	FZSIXEFMCOLBNG-UHFFFAOYSA-N	309.413	3.950	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1CCC(Cl)CC1	1123789683	KLKAKRTVTLOCHS-UHFFFAOYSA-N	322.623	3.629	50	20	DHGD	
Cc1cccnc1NNC(=O)C1(c2ccc(C(C)(C)C)cc2)CC1	1324515798	BDWDTZKMIBLOQM-UHFFFAOYSA-N	323.440	3.862	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(C)c(Cl)c2)c(C)n1	1338233257	ITUMHKVTPXRRIG-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(C)c(Cl)c2)cc1C	1341928357	IBMAEPBDPCILEJ-LLVKDONJSA-N	320.824	3.881	50	20	DHGD	
Cc1cn(-c2ccccc2)nc1NC(=O)C1CCC(Cl)CC1	1346462565	XEMVLTGXKXTQPA-UHFFFAOYSA-N	317.820	3.917	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](C[C@H]2CCOC2)C1	1358100166	ANEACBMHNJQILR-JKSUJKDBSA-N	321.848	3.704	50	20	DHGD	
C[C@H]1C[C@H](C(=O)O)C[C@@H](C)N1CCO[Si](C)(C)C(C)(C)C	1604652949	SSOGSPIHZCEKQK-BTTYYORXSA-N	315.530	3.582	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)o1	8117474	HBOIHLIGMAEEOM-IBSGOMHESA-N	308.385	3.785	50	20	DHGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cccs1	15003742	TYUHWZAYLKIXEV-UHFFFAOYSA-N	306.390	3.931	50	20	DHGD	
CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	41695750	OIALNFXWTKGKCP-XEYRCQSKSA-N	320.392	3.957	50	20	DHGD	
Clc1ccc([C@@H](CBr)O[C@@H]2CCOC2)cc1	82454943	ZBPWKOPZYFQBHG-VXGBXAGGSA-N	305.599	3.582	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cccnc1Cl)c1ccccc1	85681223	ANASWHJOFABKBI-AWEZNQCLSA-N	303.793	3.618	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3cccnc3Cl)csc2C1	85683833	AIGPZJRTLQEFJD-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@H]1C[C@H]1c1cccc(Cl)c1	114884259	PARHGOYYXRREHW-RYUDHWBXSA-N	322.195	3.635	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCN3C)s1	129793329	VRXVDYMZPHETIY-GDNBJRDFSA-N	308.406	3.839	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ccc(C(F)(F)F)cn1	131723716	IYDVJJOIRNRKNW-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	134257792	VCJLFUJKJGBSIQ-UHFFFAOYSA-N	324.302	3.905	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	139380339	HKUPSPBGESYPHV-UHFFFAOYSA-N	324.852	3.781	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2cccc3ccccc23)c1	150811353	ZCMKHIFXBZVESV-UHFFFAOYSA-N	308.356	3.973	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cn1	152762513	NNSBLFTVJVJKRZ-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc2ccccc2o1	155797461	OXYCSNNDYUCMNO-UHFFFAOYSA-N	321.258	3.604	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc3ccc(C)nc23)c1	158761690	PDARLPPYYCLAJP-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
C[C@@H]1CC[C@@H](COC(=O)CCCC[C@@H]2CCSS2)O1	159125747	RJQSAARGOGTAQW-FRRDWIJNSA-N	304.477	3.811	50	20	DHGD	
CC[C@H]1C[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	181118620	WOBHRFGVRUQOMD-BBRMVZONSA-N	304.434	3.632	50	20	DHGD	
O=C(CCCc1cccs1)NNc1ccc2ccccc2n1	181151611	IOTPCZUBFNYTSW-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	281075229	TYOYGLZDLQPYFG-FBJMNJBLSA-N	322.412	3.557	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(Cl)c(C(F)(F)F)c1	495614223	WDLBDCRBAPULDJ-UHFFFAOYSA-N	308.687	3.781	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(=O)N2C	588508941	WZQCWYSVYWAKEQ-KWWJGWKXSA-N	310.397	3.508	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(Br)cc1)C(C)C	729517918	ZNWRLJCUKOKTBG-NSHDSACASA-N	313.239	3.965	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H]2c2ccccc2)c(O)c1	732528572	PYUDGZSHFULSCC-OAHLLOKOSA-N	308.381	3.754	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1cccc(C)c1C	734297202	HIQUQWXOMCWVQM-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](C)c2ccccc2C)cc1	734768801	GSCUWDHNCZHLQB-HNNXBMFYSA-N	324.424	3.512	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)C1CCCCCC1	740094899	CHOVJVYOUGQTKP-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccc(Cl)nc3)cc2C1	743818677	ILAJEPJBOWIOGY-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1ccc(Cl)cc1	747059238	LBGZCHCVPNLBTI-UHFFFAOYSA-N	316.788	3.649	50	20	DHGD	
COc1ccc(/C=C/C(=O)NNc2cccc3c2CCCC3)cc1	748574272	XAVBFSWLXXRERT-SDNWHVSQSA-N	322.408	3.731	50	20	DHGD	
Cc1cccc2ncc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)n12	748994820	SYHIGTKOSDPPIN-ZROIWOOFSA-N	304.309	3.615	50	20	DHGD	
CC1(C)CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	752469015	WOHKCVNTRHRGNS-QINSGFPZSA-N	300.377	3.771	50	20	DHGD	
O=C(NN=Cc1cnc(C2CC2)s1)c1cccc2ccccc12	761812337	KLHNAMPMIHQVQJ-UHFFFAOYSA-N	321.405	3.938	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cccc(Cl)c1F	764323853	GSKGJUFDRMISQV-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccc(Cl)nc1	766751168	JYVQPBALLRMKMH-SNVBAGLBSA-N	320.614	3.588	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)c1	766779481	QLZGTGKZIMDSFN-ZSOIEALJSA-N	310.309	3.676	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2nccc3sccc23)CC1	769098225	SRDBYEJWWHSESY-UHFFFAOYSA-N	303.431	3.956	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	769557015	OEMVSMWGGADBKR-ZJUUUORDSA-N	311.769	3.518	50	20	DHGD	
CCSc1cccc(C=NNC(=O)CCc2ccccc2)c1	769781334	ZMRGVDVYDZVBQZ-UHFFFAOYSA-N	312.438	3.882	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	769922922	NSEMHNVTENIWIZ-UHFFFAOYSA-N	314.345	3.867	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2cccc(Cl)c2)cc1C	775713093	FVWPWSPAKBEMNE-SNVBAGLBSA-N	321.812	3.965	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NNc1ccc2ccccc2n1	777464864	JVTBXFNARRRASN-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2C=CCCC2)ccc1Br	779011353	HHFROAJXRSJJTH-GFCCVEGCSA-N	323.234	3.947	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2ccc(F)c(F)c2F)C[C@@H](C)C1	780468231	JSAREYFXQYHJPH-IUCAKERBSA-N	300.324	3.619	50	20	DHGD	
CC1(C=NNC(=O)c2ccc(Br)cc2Cl)CC1	782232523	YQPNRCRDLWVXSL-UHFFFAOYSA-N	315.598	3.618	50	20	DHGD	
O=C(NNc1ccc(Br)c(F)c1)C1=CCCCC1	783721074	NBABBYXMSYLTJE-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1c1ccccc1)c1ccc(O)c(O)c1	794558652	GVEXMEOXEJPJSB-OAHLLOKOSA-N	324.380	3.541	50	20	DHGD	
CCCC(=NN(C)C(=O)OC)c1cccc(C(F)(F)F)c1	794959777	RHEKOCVJNDLKHU-UHFFFAOYSA-N	302.296	3.908	50	20	DHGD	
CN(CCc1ccccn1)Cc1ccc(OCCCCl)cc1	798186660	RQLMZXJJAWOSJP-UHFFFAOYSA-N	318.848	3.764	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1C#N	799495163	OLCIIPZGFUSSDG-VGOFMYFVSA-N	308.362	3.727	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(C)c2C)ccc1C#N	799497104	HGIFCEGDCLDTIN-MFOYZWKCSA-N	316.360	3.974	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNC(=O)Nc1ccc(Cl)cc1	802020174	KUJGUIOUGFURIP-RYUDHWBXSA-N	323.824	3.709	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1ccc(Br)cc1F	802826703	LBYIVESXJFKHGK-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
N#Cc1ccc(NNC(=O)C(C2CCC2)C2CCC2)cc1Cl	803102731	LMENTWVZRGPSMU-UHFFFAOYSA-N	317.820	3.871	50	20	DHGD	
C=C(CBr)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2	805767241	SYZQWGGYZNSNFC-HOTGVXAUSA-N	320.274	3.721	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C2CC3(CC3)C2)cc1	814735835	HYDZSCUKDQFROO-UHFFFAOYSA-N	300.402	3.771	50	20	DHGD	
CO[C@@H]1CCCC[C@H]1NCc1ccc(OCCCCl)cc1	846055109	CZQABSWZWMUEMO-IAGOWNOFSA-N	311.853	3.742	50	20	DHGD	
CC1(C)C[C@@]1(C(=O)NNc1ccnc(Cl)c1)c1ccccc1	855462170	PSPPUFCLNLSJRE-KRWDZBQOSA-N	315.804	3.546	50	20	DHGD	
CC1(C(=O)NNc2ccc(Cl)cc2Br)CCC1	856232460	KQBLOXJBDNRHJK-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
CC(C)Cc1c[nH]c(C(=O)NNc2cccc(F)c2Cl)c1	862508724	XIOGPOQUTZWTTN-UHFFFAOYSA-N	309.772	3.763	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cnn(CCF)c1	862808547	QUMHFFKCVDMJQW-LBPRGKRZSA-N	317.455	3.505	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cccnc1C1CC1	885126552	ABKIHRIOKXNLLY-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
Cc1oc(/C=C(\C#N)c2nc(C(C)C)cs2)cc1C(=O)O	899344343	QIIJAWYGZCKMKX-ONNFQVAWSA-N	302.355	3.930	50	20	DHGD	
CN(N=Cc1c(O)ccc2ccccc12)C(=O)OC(C)(C)C	920381334	OPZOMTZFFFSSDU-UHFFFAOYSA-N	300.358	3.746	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccccc1Cl	3322616	DJAWLHWDZUZSRT-NTEUORMPSA-N	307.740	3.757	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)Cc2ccccc2F)c1	159144719	IIMMRIDXLVVCJV-AWEZNQCLSA-N	300.377	3.764	50	20	DHGD	
CCN([C@@H](C)c1ccc(F)cc1)S(=O)(=O)CCCCCl	163419365	SKTZSMKPCXGRLX-LBPRGKRZSA-N	321.845	3.557	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2cc[nH]c2c1	175449366	QYMAHCMPFWFWFA-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
CC/C=C(\C)C(=O)NNc1ccc(Br)cc1Cl	178530661	ZKUXFXKSOQRAAD-XBXARRHUSA-N	317.614	3.902	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(F)(F)F)c(F)c2)cc1	189596897	PHEFFFNGUCXQAZ-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1	255060557	HYFCRHOKXZSXBB-QUSVSHMOSA-N	312.413	3.615	50	20	DHGD	
CSSCCNC(=O)Nc1c(F)cc(Cl)cc1F	284684890	FMJHPAOYALRUEM-UHFFFAOYSA-N	312.794	3.751	50	20	DHGD	
CC[C@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	588603710	KMWQREBVHDRICP-YAJBTMAUSA-N	320.392	3.609	50	20	DHGD	
CCC(=O)NN=C1CCCc2nc(-c3ccc(F)cc3)sc21	727683803	MQALKBFVGQCWGR-UHFFFAOYSA-N	317.389	3.516	50	20	DHGD	
O=C(NN=Cc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1	727969271	AYUHIZPVUDRYBR-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cn1	732713752	GQFFVFSHMXJEFW-NVNXTCNLSA-N	305.341	3.578	50	20	DHGD	
CC[C@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	732917985	WRWPILBCRRVOPN-LMFLDHGRSA-N	312.457	3.975	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)c(O)c1	734553601	QFFRSVQKLGYOJY-UHFFFAOYSA-N	324.302	3.690	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)C2CCC2)c1C	737590293	OXKLRGSJCLOIHO-SFQUDFHCSA-N	313.445	3.823	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2cc(F)c(F)c(F)c2)c(C)c1	746759198	RGMKFWIHQVTDOZ-UHFFFAOYSA-N	323.318	3.547	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Br)c(F)c1	748058192	AXNCKSIYIULBKG-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COc1cccnc1NC(=O)CCCC[C@H]1CCSS1	749270313	UUXYFVPBRKSBGZ-NSHDSACASA-N	312.460	3.743	50	20	DHGD	
Cc1cccc2c1CCN(/C(=C\C#N)c1ccc([N+](=O)[O-])cc1)C2	750043004	PHZVQBOYTQOBFW-OCKHKDLRSA-N	319.364	3.826	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1Cl	755582151	SHWQHGZGELTHQO-DCAQKATOSA-N	309.196	3.921	50	20	DHGD	
CCCC(CCC)=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764811318	YQQMLHAQSSUZGE-UHFFFAOYSA-N	316.380	3.902	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)ccc1Cl	779707316	MIYKIEUJIYYZJY-YBEGLDIGSA-N	310.784	3.872	50	20	DHGD	
Cc1cc(OS(=O)(=O)CCCCCl)ccc1C(C)C	780667291	PGNLCBZJIGTWLV-UHFFFAOYSA-N	304.839	3.846	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCC2CCSCC2)cc1	780829985	WFBOQUHSBKJUIN-UHFFFAOYSA-N	321.490	3.753	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc2[nH]ccc12	781085444	XOBFLLAVKJVBSV-GFCCVEGCSA-N	309.207	3.916	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	786780943	PFMHLGNHMYEXNF-QAJGDKSYSA-N	324.424	3.774	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc(F)c(Cl)cc1Cl	791226245	ZIJUMSRASTZXQB-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@H](CC#N)c2ccccc2)c1	793705558	DGYVYVJMZIRCSB-KRWDZBQOSA-N	307.397	3.834	50	20	DHGD	
Cc1c(NNC(=O)[C@H](F)CC2CCCCC2)cccc1[N+](=O)[O-]	793709770	FUVSNDFVEKLVJL-CYBMUJFWSA-N	323.368	3.655	50	20	DHGD	
C=C(CBr)COC(=O)C1(c2ccccc2)CCCC1	795390962	VWDYNHWBSOBXAB-UHFFFAOYSA-N	323.230	3.993	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)Oc1ccccc1F	799754373	HBBVXUUBMDDEKZ-CYBMUJFWSA-N	316.376	3.607	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccc(C)o2)[nH]n1	799760407	GTKYSNBSVOKTMP-UHFFFAOYSA-N	324.384	3.606	50	20	DHGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(/C#N)C(=O)C1CCCC1	801648504	SYHSAJQGQPWCLW-WJDWOHSUSA-N	320.396	3.550	50	20	DHGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)C1	816018337	AIEDHHHDOMLKBU-CZUORRHYSA-N	304.434	3.632	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc3ccc(C)nc23)cc1	817889842	NPXQUKUNEMGMKZ-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)[C@@H]1CCCC[C@@H]1C	834923108	XXCOPCMKEUFCTB-SWLSCSKDSA-N	312.417	3.575	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844271441	QESQIPMNXKXVGM-KPKJPENVSA-N	305.349	3.755	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2Cc2ccccc2)CCCOC1	846464931	VSDJZHMSPULIHD-HXUWFJFHSA-N	324.424	3.537	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1	857115432	IHSFUYYILJJYIZ-VQIMIIECSA-N	324.424	3.797	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cnn(C3CCC3)c2)ccc1[N+](=O)[O-]	899366281	KAEXUTYCNMQKOC-NVNXTCNLSA-N	308.341	3.889	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C2CC3(CC3)C2)C1	912579299	VMYDTGCGMXCVIE-AWEZNQCLSA-N	309.526	3.799	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cnn(C2CCC2)c1	934308828	DBRBRDWOUJOOGT-UHFFFAOYSA-N	313.405	3.628	50	20	DHGD	
O=C(NN=CC1([C@@H]2CCCCO2)CCC1)c1ccccc1Cl	1261893788	BEBDZYZKEDAMSE-HNNXBMFYSA-N	320.820	3.795	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(Sc2ccccc2)CC1	1327634465	GNCNWFWHLOSPJP-UHFFFAOYSA-N	304.242	3.573	50	20	DHGD	
Cc1cccc([C@H]2CCCN2C(=O)C2CCC(Cl)CC2)n1	1346688855	RMVWCXBBMZQFOL-ZBCRRDGASA-N	306.837	3.851	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)ccc1O	8202554	NQAVXWAZICUOHB-NTEUORMPSA-N	311.312	3.720	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccnc2ccccc12)c1ccccc1	106923781	FBVSGKANZUIUKF-OAHLLOKOSA-N	305.381	3.872	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	124802511	DEKRXDMFFYYDHZ-ZROIWOOFSA-N	310.378	3.755	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ncnc2ccsc12	132702637	CYEQATGAPMCRBS-UHFFFAOYSA-N	306.435	3.741	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2nc(C(F)(F)F)cs2)CC1	158757817	CREKDPALOMKRQV-UHFFFAOYSA-N	321.368	3.821	50	20	DHGD	
O=C(CC1CCOCC1)NN(c1ccccc1)c1ccccc1	172164439	DAKRJHGPKLRHOQ-UHFFFAOYSA-N	310.397	3.673	50	20	DHGD	
C[C@@H](O)CC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	176079563	CDJGXSSPNSWVHL-OLZOCXBDSA-N	319.536	3.614	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	209227815	FMSDFAOZEMHYMN-FLIBITNWSA-N	312.316	3.508	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(Cl)cc2)c1CC	277139901	HMTFRMZZPZBVKB-UHFFFAOYSA-N	320.824	3.656	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc2c(O)nccc2c1	285835415	XFCDPGWSBZSRHF-UHFFFAOYSA-N	301.390	3.600	50	20	DHGD	
C=CCn1c(C)nnc1SCCO[Si](C)(C)C(C)(C)C	294152888	HRZPMBFQJUBLHU-UHFFFAOYSA-N	313.543	3.886	50	20	DHGD	
O=C(NCC(Cl)Cl)c1c(F)cc(C(F)(F)F)cc1F	297052644	KHACXJKVVYUOLP-UHFFFAOYSA-N	322.060	3.517	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cn1	588597356	LEAFTGVMAFSFII-WZUFQYTHSA-N	301.708	3.566	50	20	DHGD	
CCC(Cc1ccc(Cl)cc1Cl)=NNC(=O)N(C)C	730947025	ZEVRDFIVUPFECX-UHFFFAOYSA-N	302.205	3.573	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2cccc(O)c2)c(C)c1	732889863	TUJGUCXEFLPMMP-AWEZNQCLSA-N	313.401	3.705	50	20	DHGD	
CCOc1ccc(Cl)cc1C(C)=NNC(=O)C1CCCC1	735972202	QELZZAPEZXOVME-UHFFFAOYSA-N	308.809	3.769	50	20	DHGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)NC1CCCCC1	740764413	VBCDJJHJIAGFQV-QINSGFPZSA-N	305.381	3.591	50	20	DHGD	
Cc1cc(C(=O)NNc2c(C)cc(C)cc2C)cc([N+](=O)[O-])c1	743762580	CEBUZPQISHKUBB-UHFFFAOYSA-N	313.357	3.585	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2ccccc2)C1	746502126	DFTCCIZIPMTSEW-AHUIGUKZSA-N	319.364	3.949	50	20	DHGD	
COc1ccc(NNC(=O)c2oc3c(C)cccc3c2C)cc1	746887742	XDCSLCMTPOEUNK-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
CCC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCCC1	748501121	DHKPWODDMWDNIE-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1cccc2c1CCCC2	748589564	ZOOUQJFZMNWAIZ-SFHVURJKSA-N	316.445	3.746	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc2C1	750044933	KLMRJBVINCDYOC-VXLYETTFSA-N	319.364	3.908	50	20	DHGD	
CCC1(CNC(=O)NNc2ccccc2C(F)(F)F)CC1	753034473	JPMKSRUNMTUDKM-UHFFFAOYSA-N	301.312	3.522	50	20	DHGD	
N#C/C(=C\c1ccccc1OCc1ccccn1)c1ccncn1	758914891	WTNGIDJMKWGHRG-LFIBNONCSA-N	314.348	3.515	50	20	DHGD	
N#C/C=C\COc1c(Br)cccc1Br	763306313	YYLGIQLHJYPSCT-UPHRSURJSA-N	316.980	3.670	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C[C@H](C)CCC#N)c1	765993533	OJLVFCIFSNXWAQ-OAHLLOKOSA-N	315.417	3.539	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)OC1CCCCCC1	770405497	KEBQBQGQTOPPRM-NEPJUHHUSA-N	321.255	3.689	50	20	DHGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1c(F)cccc1Cl	771344566	NYSQWXHEMSXXND-SNVBAGLBSA-N	322.771	3.570	50	20	DHGD	
CC(C)[C@@H]1CC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CCO1	776759351	LUQWUVGNRKQSJV-QBNKABOXSA-N	318.461	3.510	50	20	DHGD	
COCCC[C@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	777881998	VOUDTMPHHCFNOO-INIZCTEOSA-N	324.424	3.618	50	20	DHGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)NNc1ncccc1C	792323125	NRRYAISRHAMJGC-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CCCN(N=C(C)c1cccc(C(=O)O)c1)C(=O)OC(C)(C)C	794995410	IZTLHRXFIXTGQB-UHFFFAOYSA-N	320.389	3.756	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(Cl)c(F)c1	795574212	JSELMZMTEQMBOU-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
CSc1ccc([C@H](C)NC(=O)NNc2ccccc2)cc1	798505150	KGUDAGXCNZSWOV-LBPRGKRZSA-N	301.415	3.796	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc2ccccn2n1	804378532	VGZUFSYTQCVYLV-CYBMUJFWSA-N	321.471	3.987	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CC1)c1cc2c(s1)CCCCC2	814767361	IGEPPYWSRMRBRV-ZDUSSCGKSA-N	302.443	3.923	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)c1cc(Br)c[nH]1	814780582	ZOTKWEXQGCJUCF-UHFFFAOYSA-N	324.222	3.607	50	20	DHGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)N(C)CC(Cl)Cl	816628842	MCWXCPFXBGICPB-VIFPVBQESA-N	324.248	3.816	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC/C=C\c1cccnc1	816739062	VFBGCWKPYAXCBT-ZDTYVGOBSA-N	322.499	3.925	50	20	DHGD	
CC(C(=O)NNc1ccccc1OC(F)(F)F)=C1CCC1	829948665	HYLKTZUTWACEKR-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)[C@@H]1C[C@H]2CC[C@H]1O2	834927541	MTQGPJFKBASPNT-IXDOHACOSA-N	314.429	3.657	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc(C(C)(C)C)on2)cc1	837053617	GVJXEESBSJZMEY-UHFFFAOYSA-N	301.390	3.852	50	20	DHGD	
COc1ccc(CN(C)C[C@H](C)CBr)cc1Cl	839660953	IJUAKNAMBXWKFZ-SNVBAGLBSA-N	320.658	3.811	50	20	DHGD	
Cc1cc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)nn1C	844348590	BEODWOSMNOYHKJ-INIZCTEOSA-N	323.557	3.715	50	20	DHGD	
CCC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	857555859	CWBZQLMWYBOERJ-GPLLRDDGSA-N	301.434	3.727	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)OCC1CCCCC1	858931148	KTYBAEYCSKWEKR-UHFFFAOYSA-N	309.318	3.699	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2CCC(F)(F)F)n1	862521412	MYQCRIHGXCHCGC-UHFFFAOYSA-N	323.318	3.642	50	20	DHGD	
CC(=O)NN=Cc1ccc(-c2ccc(Br)cc2)s1	863950905	UULQLXSORUVFTB-UHFFFAOYSA-N	323.215	3.648	50	20	DHGD	
CC(C)OCc1cccc(NC(=O)NCC(Cl)Cl)c1	878456052	IKAICFVRMPQSHA-UHFFFAOYSA-N	305.205	3.537	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCC(=O)c2ccccc2)c1	901165568	WJLSGMUGFMQXKA-UHFFFAOYSA-N	310.397	3.800	50	20	DHGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1ccc(Cl)nc1	915973208	HJMGESKXIQHSJT-VXGBXAGGSA-N	305.809	3.811	50	20	DHGD	
N#C/C(C(=O)c1c[nH]c2ccccc12)=C1/COc2ccc(F)cc21	918154674	PZKPBQKQPSNKFG-JQIJEIRASA-N	318.307	3.859	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCc2c(F)ccc(F)c2C1	1346667645	FHIUQHDVKQUWQH-UHFFFAOYSA-N	313.775	3.647	50	20	DHGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	18918328	MRTUHFWTICROJK-RVDMUPIBSA-N	306.296	3.518	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1OC	33398923	OROCNULUNDKJNQ-RAXLEYEMSA-N	305.337	3.644	50	20	DHGD	
C[C@@H](CC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	115720150	IHZJACRTRNGOFW-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C12CC3CC(CC(C3)C1)C2	118993725	ZHWIHVJDWVHJDM-UHFFFAOYSA-N	302.393	3.794	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2ccc(Cl)cc2)cc1	120252378	UYZLFFBKMFJSQM-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(OC(F)F)cc2)C1	121688748	QYLSIDNCBAFZKM-VXGBXAGGSA-N	312.360	3.948	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(F)cc1F)c1ccc(Cl)s1	176153461	CTGQTDINLDLDLH-SSDOTTSWSA-N	316.760	3.927	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1ccccc1C	179026335	WERDPYQVUCUYRZ-SDNWHVSQSA-N	322.364	3.558	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@@H](Nc2ccccc2)C1	248779537	WPMJTEHMQHNUIB-UKRRQHHQSA-N	311.267	3.594	50	20	DHGD	
C/C(=C\C(=O)N1CC=C(C#N)CC1)c1cccc(C(F)(F)F)c1	270879406	ABDCNNPZMHYLFC-FMIVXFBMSA-N	320.314	3.791	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc(Cl)n2)s1	293620599	FQXBCXQQQVXIAI-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
COC(=O)N(C)N=C(C)c1sc(-c2ccc(C)cc2)nc1C	495812072	XOOPAIDABRRWKY-UHFFFAOYSA-N	317.414	3.849	50	20	DHGD	
O=C(/C=C\C1CCCCC1)NNc1ccc(C(F)(F)F)cn1	588512153	UEABHTNFTDMQEF-TWGQIWQCSA-N	313.323	3.680	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1ccc(F)c(Cl)c1	728780965	CENLHSXFMOWYFH-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)cc1Cl	729623390	IAQCUORMOWBHKA-GZMMTYOYSA-N	302.205	3.808	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1O	735619692	PGUQAFNHZBSWEG-JYRVWZFOSA-N	305.337	3.650	50	20	DHGD	
Cc1cccc(CC(=NNC(=O)c2cccc(C#N)c2)C2CC2)c1	736430939	OFGNGPXDIMUEKU-UHFFFAOYSA-N	317.392	3.605	50	20	DHGD	
Cc1nc(C)c(C=NNC(=O)c2cccc3ccccc23)s1	741462546	JASDAMYTSNNTMA-UHFFFAOYSA-N	309.394	3.677	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1Cc2ccccc21	743296292	PFDCHMMKFGXKEP-OAHLLOKOSA-N	323.783	3.671	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2c(F)cccc2F)cc1	750242070	NRHVHAYYYZOSIB-NSHDSACASA-N	320.339	3.899	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2c(F)cccc21	763920343	HJOPNMBGXHTJAM-APSNUPSMSA-N	309.300	3.661	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1)C1CCC1	764791000	YAZGNKPCZODKNK-UHFFFAOYSA-N	310.401	3.599	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCc1coc2ccccc12	768141719	BEZIQJHEUWMTCU-CYBMUJFWSA-N	324.218	3.859	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(Cl)c1Cl	768504514	KPORMFJWLINSGJ-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1cnccc1C(=O)NN(c1ccccc1)c1ccccc1	769722631	CTTNLFOZNLKIFU-UHFFFAOYSA-N	303.365	3.873	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)C1(c2ccccc2F)CC1	770203123	DGCILMHDTQGCQY-UHFFFAOYSA-N	322.742	3.793	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2ccccc2)on1	771688543	NMPZZNNWEYFMBA-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CCCn1cccc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	772175268	ICWRZXMUOOCEGY-UKTHLTGXSA-N	300.308	3.966	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	782016327	BYRWLGWMLUPPDP-SNVBAGLBSA-N	300.324	3.975	50	20	DHGD	
CCCCCCC(=O)COC(=O)/C(C#N)=C\c1ccc(C)cc1	784191202	JSCKPUYQIFKOQA-ATVHPVEESA-N	313.397	3.985	50	20	DHGD	
Cc1ccc(C(=O)NN=C2C[C@H](C)CC[C@@H]2C(C)C)c(O)c1	785454120	VADTTWYZPRVSEJ-TZMCWYRMSA-N	302.418	3.879	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1ccc(F)cc1	792044870	PVKFLKBMQLPHTC-UHFFFAOYSA-N	304.390	3.592	50	20	DHGD	
Cc1cc(NC(=O)NNc2ncccc2C)ccc1C(F)(F)F	792318398	UBYBWUVYAIXEOM-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)c1cccc(C)n1	794563950	CCONIBIYRRVZLH-UHFFFAOYSA-N	309.413	3.909	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc2nccc(C)c2c1	803116967	QXWQAFXCHUYILC-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(O)c(C(=O)O)c2)n1	809153664	BDWCMEYZVKHZFJ-VZUCSPMQSA-N	314.366	3.734	50	20	DHGD	
COc1ccccc1CNCc1ccc(OCCCCl)cc1	811472446	GWKZPLWNWYGDAK-UHFFFAOYSA-N	319.832	3.993	50	20	DHGD	
CCC[C@@]1(NCc2ccc(OCCCCl)cc2)CCOC1	811506720	ZSJCHRSXNGMXTL-QGZVFWFLSA-N	311.853	3.743	50	20	DHGD	
C#Cc1ccccc1CC(=O)NNc1c(C)cccc1C(C)C	812766065	GCDAXNQMWHCJHT-UHFFFAOYSA-N	306.409	3.786	50	20	DHGD	
CCC(C=NNC(=O)c1c(C)nc2ccccn12)(CC)CC	814718344	SPPBGGMOWJEAPM-UHFFFAOYSA-N	300.406	3.575	50	20	DHGD	
O=C(CC1CC1)NN=Cc1cc(Cl)cc(C(F)(F)F)c1	814989580	QAJZMRBUYQNCEN-UHFFFAOYSA-N	304.699	3.609	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1cc(F)c(F)cc1F	825862604	DCCVZCPTKJRJTQ-ZCFIWIBFSA-N	314.229	3.526	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCC(=O)C1CC1	832322666	QUQHYARWBROXAU-UHFFFAOYSA-N	302.418	3.711	50	20	DHGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@@H]1C	834958335	LKUPXPLFRWEVAW-KSSFIOAISA-N	324.428	3.804	50	20	DHGD	
Cc1ccnc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)n1	844349139	JQZLMSLGMGMTMW-OAHLLOKOSA-N	321.541	3.771	50	20	DHGD	
Cc1nc([C@H](C)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)no1	852523767	BHCNNCOJKMPVPB-AAEUAGOBSA-N	311.502	3.535	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@H]1CC=CCC1	856234196	PFNCHEQWILKFCY-VIFPVBQESA-N	307.806	3.749	50	20	DHGD	
CN(C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCCCCC1	856951090	PAXFGMITMRKBSF-GXTWGEPZSA-N	317.271	3.524	50	20	DHGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)C(=O)c1ccccc1F	899343385	VIXHSWNREZUDQK-NVNXTCNLSA-N	309.344	3.612	50	20	DHGD	
CCC(=O)NN=C(C)c1ccc(Oc2ccccc2)c(F)c1	917533652	KYSASEHVJJJFDH-UHFFFAOYSA-N	300.333	3.868	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H](Nc2ccccc2)C1	1123669253	NGGASYJUWJHQBZ-VMBOVVBDSA-N	320.864	3.887	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)c1ccccc1Cl)C1CCCCC1	1318121244	SBLGJQAWPPBMRA-GFCCVEGCSA-N	322.836	3.708	50	20	DHGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNC(=O)CC1CCCC1	1321035719	YWSFMJVZUPMDJJ-UHFFFAOYSA-N	323.824	3.690	50	20	DHGD	
COc1ccc(C(=O)NN=C2C[C@@H](c3ccccc3)C2(C)C)cc1	1324057904	MDWRDLGXFOYGMC-KRWDZBQOSA-N	322.408	3.995	50	20	DHGD	
COc1cccc([C@@H]2C[C@H]2CNC(=O)C2CCC(Cl)CC2)c1	1520240135	QKJDEQUZPROAGN-RZUWBANKSA-N	321.848	3.713	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2cccc(Cl)c2)C1)c1ccon1	1552336570	XNMNYAWXVGNXGO-GFCCVEGCSA-N	317.776	3.772	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNc1cccc(F)c1C(=O)O	1595666310	IDYGPSLOLQUKKV-KRWDZBQOSA-N	324.396	3.964	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc(/C=C/C(=O)O)cc2)sc1C	1777489492	YLSNFUGDVRSLLR-YMOMHROCSA-N	310.378	3.922	50	20	DHGD	
N#C[C@H](C(=O)CCCC[C@@H]1CCSS1)c1ccccn1	41482192	JVOZYJNCZSYLSC-OLZOCXBDSA-N	306.456	3.972	50	20	DHGD	
CC[C@H]1CCc2c(sc3nc(CCCCl)[nH]c(=O)c23)C1	48412267	UINUFLQSHDJEPJ-VIFPVBQESA-N	310.850	3.671	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cnc(-c2ccccc2)nc1	66899912	FWPBTSHBAQVMCL-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@H]1c1cccc(F)c1F	119157385	XULQULBZXUDPNM-QWHCGFSZSA-N	320.314	3.659	50	20	DHGD	
COc1cccc([C@H](C)C(=O)NNc2cccc3c2CCCC3)c1	120468279	GSDXWRFIFLQBJY-AWEZNQCLSA-N	324.424	3.821	50	20	DHGD	
Cc1ccc(NNC(=O)COc2ccc(C(F)(F)F)cc2)cc1	120868029	UZKPIZWLBPVTFG-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)s1	123354589	DXEWXEPPRLECHZ-LJIOFZCZSA-N	317.458	3.868	50	20	DHGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccccc3F)c2)c1	153004699	TXDZWYHLIGHRHR-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1ccc(Cl)cc1Cl	154679234	QRIXXYHWKPUZNN-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1nccc2ccccc12	175428284	JIWBHJOLYYEGGK-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CS[C@@H](C(=O)NNc1ccccc1Cl)c1ccccc1	178978315	VIUOMWTVFPXKAJ-CQSZACIVSA-N	306.818	3.887	50	20	DHGD	
C[C@@H](CCC(=O)NNc1cnc2ccccc2n1)c1ccccc1	193555953	MGFRHDSQLCNAIL-AWEZNQCLSA-N	320.396	3.657	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2c(C)nn(C)c2Cl)c1C	255103619	QIVORVKCXRHYQR-JYRVWZFOSA-N	313.788	3.789	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)c1nc2ccccc2n1C(F)F	255391666	IBLISWKRDPTQOD-XFFZJAGNSA-N	313.311	3.538	50	20	DHGD	
N#C/C(=C\c1ccnc(Cl)c1Cl)C(=O)NC1CCCCC1	279361942	KKTQGAVBDVJQDG-DHZHZOJOSA-N	324.211	3.744	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(CC1CCCCC1)C1CC1	588515461	FATPRYMAQZDUMS-ATVHPVEESA-N	324.424	3.870	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(F)c(F)c2F)c(C)c1	727759610	KDPKNTJLZMUVOM-UHFFFAOYSA-N	322.330	3.797	50	20	DHGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)Cc1cc(C)[nH]n1	728156086	ATKKANILSNXGPO-CQSZACIVSA-N	304.438	3.503	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)C[C@H](C)CC)cc1	742720132	QLURKWUCAKYRKE-DYNPQAPLSA-N	314.429	3.933	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2nc(C)c(C)s2)cc1	744253362	RCOIOZQHWRQDMF-NVNXTCNLSA-N	312.394	3.719	50	20	DHGD	
CC(=NNC(=O)COc1ccccc1F)[C@@H](C)c1ccccc1	746370074	FGSQWTKCRDZZOM-CYBMUJFWSA-N	314.360	3.500	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1	747643421	HTLPGLCJRMJTIQ-UHFFFAOYSA-N	322.792	3.965	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccccc1Br)C(C)C	748068340	OQONMWLOAKKHGQ-NSHDSACASA-N	313.239	3.965	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@H]1C[C@@H]1C1CC1	753175187	ZUNQZCOKSXGNHW-OLZOCXBDSA-N	323.234	3.501	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C[C@@H]1CCc2ccccc21	755570588	LTAFQROLMKRORN-HNNXBMFYSA-N	312.800	3.715	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cc(F)cc(Cl)c1	757383776	YPOVGOULLMYRPL-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccccc1C(F)(F)F	769437624	XGUZMTMMZNWREC-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
CC1(C)C[C@@H](NC(=O)NNc2ccc(F)cc2)c2ccccc21	770439172	YODHHZNYPIUAAR-MRXNPFEDSA-N	313.376	3.874	50	20	DHGD	
C[C@H](CBr)CN1CCc2c(F)cc(F)cc2[C@@H]1C	770657428	PGQZGGOZISHILK-ZJUUUORDSA-N	318.205	3.915	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)C1CCCCCC1	781067854	CXJOOKBPKADWBG-GFCCVEGCSA-N	304.272	3.977	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1ccc(Cl)c2cccnc12	786668714	IAXNUMOWPRGGJU-MDWZMJQESA-N	312.756	3.791	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3cccc(C)n3)o2)cc1	794566947	PLIUZHHSABQZRB-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)NCC(C)C)cc1	797331277	APDQCDHDHYXGPV-ATVHPVEESA-N	314.429	3.935	50	20	DHGD	
C=CC[C@H](CC)NC(=O)NNc1cc(C(F)(F)F)ccc1F	798497292	ITHZLADXCCAPGS-JTQLQIEISA-N	319.302	3.825	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)CC(C)C)c(-c2ccnn2C)c1	801647387	CBNLZDANQNQLHO-LFIBNONCSA-N	307.397	3.918	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)N(C)CC(Cl)Cl)on2)cc1	808248609	OPHJCYRWMKDUKY-UHFFFAOYSA-N	313.184	3.526	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCCC23CCCC3)c1	814738189	TVRHOGITZQIVKF-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCc2ccc(N)cc21)c1ccccc1	814845734	UEKYWEFAHNWHDS-KRWDZBQOSA-N	321.424	3.619	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1	815000109	RIFXAHGHYRANPB-WMLDXEAASA-N	309.369	3.606	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2cccc(Cl)n2)cc1	817007343	XCYUYEQYMSTNBT-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)cc1	830776691	SQTPIANXXLOFRK-MJGOQNOKSA-N	319.408	3.660	50	20	DHGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)ccn1)C1CCCC1	832968451	LUHFKEVUAJIPCK-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
Cc1ccc2oc(C(=O)NC[C@]3(C)C[C@@H]3Br)cc2c1	857400053	TYBPYSISDAPOPI-ZFWWWQNUSA-N	322.202	3.645	50	20	DHGD	
C[C@H](C(=O)OC[C@@H](CBr)C1CC1)c1ccsc1	859563583	QYXQZOGGUSZZJP-JOYOIKCWSA-N	317.248	3.816	50	20	DHGD	
O=C(CNc1ccccc1F)NN=C1CC[C@@H]2CCCC[C@@H]2C1	915920173	OUUYDZGCSADFTR-UONOGXRCSA-N	317.408	3.700	50	20	DHGD	
CC(C)[S@](C)(=O)=NC(=O)CCCC[C@H]1CCSS1	926069297	OJRYZAAFMKLXMM-VOJFVSQTSA-N	309.522	3.733	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(C(C)(C)C)nn1	1116155788	INGZMSOAOUFWRK-ZDUSSCGKSA-N	306.454	3.824	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(CC(=O)O)cc2)c1C	1777443779	ZWISTXWZPGQEEL-YVLHZVERSA-N	319.360	3.720	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1OC	7156940	TUDJCDLBJFQYCA-RVDMUPIBSA-N	322.364	3.558	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cc(F)c(F)cc1F	92759765	SNHHBUGXLREWDA-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2c(Cl)cccc2Cl)s1	132807142	BKIOPVZTULTSDV-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@@H]1c1cccc(F)c1	133648725	JCOPMFPHNWYUBX-BXUZGUMPSA-N	300.215	3.994	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1CCCC[C@@H]1C(F)(F)F	152960020	PZMTZIUYOWVWDW-ZJUUUORDSA-N	304.287	3.638	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1	153256516	GEPCFKGCCVJQQE-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccccc1Br	153452450	RRHLSJSXBCLPLB-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(Cc2ccccc2)CC1	176315807	IOKJWMPRDOUNND-UHFFFAOYSA-N	318.779	3.945	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1O	183783913	SSHXWRJZJCKSQF-FLIBITNWSA-N	316.719	3.730	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2c(C)c(C)ccc2[nH]1	184381340	UBECFKGRXQUHBM-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	253386285	WFCVHJXDIUPVMO-CYBMUJFWSA-N	315.325	3.585	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(F)c1	272821775	NAIXUYRKKQOIRW-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc(Cl)nc2)CCC1	276640007	QQSDYQALEXHRPM-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCO[C@@H](C3CC3)C2)cc1	367945152	UZBQVNIAEUQXPC-SJLPKXTDSA-N	323.864	3.742	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cnn(Cc2ccc(F)cc2)c1	588534496	GQKIDTDMCUPOBP-NVNXTCNLSA-N	311.360	3.593	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)CCc1cccc(F)c1	731487755	AVBNZFCCZDPFFX-UHFFFAOYSA-N	314.360	3.573	50	20	DHGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNc1ncccc1Cl	734246739	NIKAEWNSVANYJW-UHFFFAOYSA-N	319.836	3.785	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC(C)(C)CC2)c(C)c1	735972844	VWFDVJJWBKKOEF-UHFFFAOYSA-N	301.434	3.788	50	20	DHGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)COCc1ccccc1	737437514	WLCZUVNRNAXQED-UHFFFAOYSA-N	324.424	3.637	50	20	DHGD	
CCN(CC)c1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1F	739412103	VGSLERRXYYYKEZ-UHFFFAOYSA-N	323.412	3.873	50	20	DHGD	
C=CCCC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)C1CC1	747765654	GZGLYBNYBILVTH-UHFFFAOYSA-N	314.414	3.600	50	20	DHGD	
O=C(NN=Cc1c(Cl)oc2ccccc12)c1ccccc1O	761253310	MCNKZWCURHIPKB-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21	763221806	MBOUTMABPIGOBC-XOQYZJNISA-N	312.413	3.748	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	764692649	OSLMQKMOFOGIGK-QGZVFWFLSA-N	324.428	3.804	50	20	DHGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)NCC(C)C	767351429	BBRORDLCVXKGMB-WJDWOHSUSA-N	300.402	3.545	50	20	DHGD	
CCNC(=O)N(C)N=Cc1ccc(-c2ccccc2Cl)o1	769593666	CRKOVZHHABZJQC-UHFFFAOYSA-N	305.765	3.595	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)o1)C(=O)c1cccc(C(F)(F)F)c1	780375744	ZHXLQBAQVXEUMH-XFFZJAGNSA-N	316.238	3.960	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1ccc(F)c([N+](=O)[O-])c1	788149400	VRJJMXOUVNPULR-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](Cc2ccccc2)[C@@H]1C	790894938	LRXNPEPVDCNMQM-DZGCQCFKSA-N	324.515	3.660	50	20	DHGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)NCCc1ccccc1	794688176	KBRIFXQYPSSSBS-AQTBWJFISA-N	316.360	3.699	50	20	DHGD	
COCCCC(=NNC(=O)CC(C)(C)C)c1ccc(F)cc1	799479017	SVUBQKYBFBSXLY-UHFFFAOYSA-N	308.397	3.509	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccc2c(c1)CCC2	799756665	IMQJDAZCHGOYDU-UHFFFAOYSA-N	308.425	3.732	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ncccc1F)c1cccc(Cl)c1	804947740	FIMLYPGRJYMOST-CYBMUJFWSA-N	322.771	3.652	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn3ccccc23)cc1C	809146719	SYMUTLVSJPAZFZ-YBEGLDIGSA-N	301.349	3.741	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	809787152	VCPHTGPSJNEZET-CABCVRRESA-N	315.300	3.751	50	20	DHGD	
Cc1ccc2sc(C(=O)NNC(=O)c3ccccc3C)cc2c1	809982271	OIQXKKJYBJEBLX-UHFFFAOYSA-N	324.405	3.593	50	20	DHGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)c1ccc(Cl)nc1	814809182	QKZGROMMYHSBRT-ZDUSSCGKSA-N	313.788	3.789	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1cccc(OC(F)F)c1	814835412	QEMBWKYUJJEDEA-CYBMUJFWSA-N	308.328	3.584	50	20	DHGD	
O=C(NN=C1CC(c2ccc(Br)cc2)C1)C1CCC1	814846759	LNMKYCHGFGRDOT-UHFFFAOYSA-N	321.218	3.599	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(Cl)n1)c1cccc(Cl)c1	817011137	HFIXZKFTHWRIFV-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1c(/C=C(\C#N)C(=O)OCCC2=CCCCC2)cc(C#N)n1C	835721973	BXQAIYJOKXLORL-LICLKQGHSA-N	323.396	3.546	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2c(C)cc(C)nc2C)cc1	836632414	MPYVMNZNCGXPNX-UHFFFAOYSA-N	314.389	3.554	50	20	DHGD	
N#Cc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1	839403946	PEIPWUKIQYGZRA-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F	853261797	VAZOPSKXRZKRDL-QWRGUYRKSA-N	316.298	3.910	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(Cl)cn2)o1	856095935	WOWZLHFSKMHFSV-GWCFXTLKSA-N	319.792	3.527	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	865220780	PZSBXMFNDMSJMV-BVBCSLMJSA-N	307.296	3.575	50	20	DHGD	
Cc1cccc2sc(C(=O)NNC(=O)CC(C)C)c(Cl)c12	875673838	UGIFBJDSUCAMBW-UHFFFAOYSA-N	324.833	3.670	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2cc3ccccc3o2)C1	901195591	VPEHRGDGDGYDCS-ZDUSSCGKSA-N	302.399	3.824	50	20	DHGD	
CCCc1nc(C)c(NC(=O)[C@@]2(C)C[C@H]2Br)s1	907509817	AMNOATVXPICSTR-PELKAZGASA-N	317.252	3.516	50	20	DHGD	
CCC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1	916340883	QQMQSSRVKKOCOU-UHFFFAOYSA-N	323.371	3.780	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)N(C)CC(Cl)Cl	1261550200	RLDKTNQUMOEFBZ-UHFFFAOYSA-N	300.185	3.871	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(F)cc1F	16500227	OCXIVZYSDTZDFW-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1	32752228	HRNFKGKTTYJNIC-UZUMKDMXSA-N	321.376	3.839	50	20	DHGD	
CCCN(C(=O)CCl)[C@@H](C)c1ccccc1Br	37654235	PSLNWRDCZSBJTB-JTQLQIEISA-N	318.642	3.988	50	20	DHGD	
Cc1cccc(C(=O)NN(Cc2ccccc2)c2ccccc2)n1	71840517	ZRWMJULCWBVZPV-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2ccccc2C(F)(F)F)c1	109427734	COFMRMFFCSXAPT-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1cccnc1Cl	128408072	MFAKJPHCLLYHHV-AWEZNQCLSA-N	317.820	3.693	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(SC(F)F)cc2)c1	152716837	QQBXOBAANZPPFM-UHFFFAOYSA-N	319.336	3.630	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)c2c(F)cccc2F)c1	154543900	RMSJKWZECIFQEW-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2coc3ccccc23)c1	160193574	JVZWCKDLJBCUNE-UKTHLTGXSA-N	318.332	3.987	50	20	DHGD	
O=C(CCc1cscn1)NNc1c(Cl)cccc1Cl	177831443	NORREDNRFPZZRV-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC[C@H]1CCCCO1	181594579	MEQKAGFZKRAVIK-KGLIPLIRSA-N	317.520	3.776	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C	185016573	NDIHBLYYIFADCB-QUJHGWJTSA-N	312.413	3.506	50	20	DHGD	
N#C/C(=C/c1nc(-c2ccccc2)c[nH]1)C(=O)c1ccsc1	193129703	KYUAWWRMJLQVHI-ZSOIEALJSA-N	305.362	3.928	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	255031629	UAXWSEJNOHEGAZ-GDNBJRDFSA-N	317.348	3.778	50	20	DHGD	
COc1ccc2cc(/C=C(\C#N)C(=O)[C@@H]3CCCOC3)ccc2c1	280890570	FBOOFGGBOKTTMT-HJSBDDGSSA-N	321.376	3.751	50	20	DHGD	
CCSCc1cc(C(=O)NNc2c(C)cccc2CC)no1	281886671	XSHALDDQLYEDSC-UHFFFAOYSA-N	319.430	3.555	50	20	DHGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	289918376	MBJAFTDAWLUGHS-GZTJUZNOSA-N	315.413	3.762	50	20	DHGD	
CC1CC(C(=O)N2CC=C(C#N)CC2)(c2cccc(Cl)c2)C1	297078393	JTOKXNWQMFTBGE-UHFFFAOYSA-N	314.816	3.690	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)o1	490692681	HMYWSBQKOXHZMZ-LKKYZFDUSA-N	324.380	3.635	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cn1	588597605	WHIXERQQMRVHBB-AUWJEWJLSA-N	302.337	3.563	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(C)(C)C)c1C	726925594	MHNGSZHQRGJXMK-GZTJUZNOSA-N	315.461	3.926	50	20	DHGD	
CCCC(=NNC(=O)CNc1ccccc1)C1CCCCC1	727777318	PBQLZIRLNRIGHL-UHFFFAOYSA-N	301.434	3.951	50	20	DHGD	
CCC/C(C)=C\C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791702	QZNLUELZMKQGRT-HJWRWDBZSA-N	315.200	3.501	50	20	DHGD	
N#CCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	730146930	IBNFFRDUMXESJA-GDNBJRDFSA-N	305.293	3.561	50	20	DHGD	
CCCN(CC)CCP(=O)(c1ccccc1)c1ccccc1	746107822	RNCXXTRLGUHZJZ-UHFFFAOYSA-N	315.397	3.732	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C#N)cc2C)cc1	748920152	IJSFWMIXJHYDQQ-GRSHGNNSSA-N	316.360	3.826	50	20	DHGD	
CC(C)C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752489309	LCUYZYFNBYSFCJ-HEUOVEHFSA-N	300.377	3.627	50	20	DHGD	
O=C(NN=C1CCCc2c1sc1ccccc21)c1cccnc1	763107831	YIIIXFIOQQGHRI-UHFFFAOYSA-N	321.405	3.767	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C)c(Cl)c2)cc1	766427564	BHRLXOYCCBEIIF-UHFFFAOYSA-N	315.804	3.519	50	20	DHGD	
CCC[C@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768255061	ZTMOHNGSTXCHPY-NWDGAFQWSA-N	304.272	3.835	50	20	DHGD	
C#CC[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccccc1	768324676	CWHSNYJJSLOUJC-KBPBESRZSA-N	322.246	3.677	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)c1cc2ccccc2o1	779774222	CCUDTVIXLKNADJ-UHFFFAOYSA-N	307.353	3.544	50	20	DHGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)N2CC=C(C#N)CC2)C1	780686808	YDIIYLUYIXNVNW-WMZOPIPTSA-N	318.461	3.824	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2coc3ccccc23)c1	786055722	HUALPBDQJSSVHA-YBEGLDIGSA-N	316.360	3.965	50	20	DHGD	
CSSCCNC(=O)CCCCCc1cccs1	791113725	NDJOEGYUOAFDMV-UHFFFAOYSA-N	303.518	3.978	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1ccccc1C(F)(F)F	794567889	ZVOSXMKQMMMEPT-UHFFFAOYSA-N	321.302	3.563	50	20	DHGD	
O=C(NN=CCc1cccc(Cl)c1)c1ccc2ccccc2n1	794856732	PJUNXXYYUCLTFF-UHFFFAOYSA-N	323.783	3.847	50	20	DHGD	
C=CC[C@@H](C(=O)OCC(=C)CBr)c1ccccc1	795595613	WDZMQZJHRFJMLC-CQSZACIVSA-N	309.203	3.841	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1csc2ccccc12	812438363	MFLIXCLHEJGBRW-UHFFFAOYSA-N	312.369	3.733	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](CC)Cc2ccccc2)cc1	817904497	IUKCDVBSUXRQKM-INIZCTEOSA-N	312.413	3.797	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@H]1CCC[C@H]1c1ccccc1	825855603	XQPLYHOTQKDMBR-KBPBESRZSA-N	315.804	3.762	50	20	DHGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	826799330	CREZLJSQXKLDJK-BDAKNGLRSA-N	321.368	3.821	50	20	DHGD	
Cc1noc([C@@H](C)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	852522414	JSTRXZUICMVUPZ-DGCLKSJQSA-N	311.502	3.535	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC([C@H]2CCCCO2)CC1	852594127	LWJKPHIXCBMOFB-JSAJWXMXSA-N	314.404	3.971	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccncc1Cl	857082588	OXQOPLCGATULPR-AXTRIDKLSA-N	303.631	3.559	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1F	864365956	HLMFBOPYPRUGDB-UITAMQMPSA-N	301.239	3.651	50	20	DHGD	
C#CCCCC(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl	901324228	JTDLTJMSIDALRY-UHFFFAOYSA-N	316.710	3.612	50	20	DHGD	
CCSc1ccccc1CC(=O)N(C)CC(Cl)Cl	908223576	MBTAMVSQYHIIJT-UHFFFAOYSA-N	306.258	3.603	50	20	DHGD	
O=C(Nc1nc2c(s1)CSCC2)c1cccc(CCl)c1	1120648967	PGLCZRASVRTTJM-UHFFFAOYSA-N	324.858	3.924	50	20	DHGD	
O=C(NNc1ccccc1)Nc1cc(-n2cccc2)ccc1F	1319710974	ICXZWUOCCDQESW-UHFFFAOYSA-N	310.332	3.765	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1F	1324410238	YJNOWXVJRAWLID-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2cccc(Cl)c2Cl)CCO1	1336519439	FWSWFIUNBQIRPR-SECBINFHSA-N	317.216	3.642	50	20	DHGD	
CCC[C@@H]1CCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045866	PLCJVQUIDVSMCP-GFCCVEGCSA-N	317.389	3.853	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)C(=O)Nc1ccccc1	33329026	GPFACOJOHFLOQS-VKAVYKQESA-N	317.392	3.832	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	120149676	BGCLUMGKKKUWMI-UHFFFAOYSA-N	317.820	3.943	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(F)c(F)cc2F)cc1	128687640	SIYBKVHTWGLAQC-WUXMJOGZSA-N	316.282	3.958	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)C1CCCCCC1	155925345	NTHDOTYLTMFNBY-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
C[C@@H]1CC[C@H](COC(=O)CCCC[C@@H]2CCSS2)O1	159125480	RJQSAARGOGTAQW-JHJVBQTASA-N	304.477	3.811	50	20	DHGD	
Cc1ccnc(NNC(=O)c2c(C)[nH]c3ccc(Cl)cc23)c1	179606080	YEHYMZJTSSNQBL-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(C)ccc12	179726573	JOFXVWWYKATDLC-MDWZMJQESA-N	318.380	3.562	50	20	DHGD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188097157	IHFOCBINLWLQET-YYTPVVGHSA-N	324.355	3.658	50	20	DHGD	
CC(C)C[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	194746592	JIJFVBXGELAMLD-FDIDWWNZSA-N	312.413	3.584	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(NC(=O)C(F)(F)F)c1	214375734	BOFNMDYXULDGOG-XFFZJAGNSA-N	324.302	3.710	50	20	DHGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)NC1CCCC1	255064363	PBNJOMSOOIUPGF-PDGQHHTCSA-N	317.392	3.714	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(OC[C@@H]2CCCO2)cc1	255109062	JPUUDYHCSUYQNH-FYXHJSOBSA-N	313.397	3.767	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1coc2ccccc12	255676306	PINYDPWPFRRJTM-WAYWQWQTSA-N	300.745	3.764	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cc(Br)c(Cl)s1	309271198	GFTZFMHZPDJJSK-ZZXKWVIFSA-N	320.595	3.634	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(C#N)s1)c1ccccc1	490691644	FXAIEOLRPOLDSB-QXSWTLKVSA-N	321.405	3.794	50	20	DHGD	
CCOc1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1C	491013086	SXADSTRVNNTLNE-GDNBJRDFSA-N	322.364	3.645	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cccc(F)c1C#N	491080475	DKTLUJVISFCYKJ-NTEUORMPSA-N	305.312	3.551	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](CC)CC#N)c1C	588558238	CRRVKBTXEATPDW-NIFLVVHWSA-N	313.401	3.657	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1F	588619037	FOZOPWDGYAIKMW-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
O=C(NNC(=O)C1CCCCCC1)c1ccc2ccccc2c1	726159234	AVEBGAUPSJOIMU-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cnc(-c2ccccc2)s1	727257640	VRPPFLYKGODFKA-UHFFFAOYSA-N	313.426	3.841	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cccc(OC(F)F)c2)s1	731153458	MQXYRAFEUSFWAR-UHFFFAOYSA-N	324.352	3.676	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1cnnc2ccccc12	734865230	PIXWUPOQBSUVPL-CQSZACIVSA-N	320.396	3.575	50	20	DHGD	
CC[C@H](CNC(=O)NNc1c(F)cccc1F)c1ccccc1	735754601	VYCCVNRQURAQNQ-GFCCVEGCSA-N	319.355	3.785	50	20	DHGD	
O=C(CCCC1CCCC1)NNC(=O)c1ccc2ccccc2c1	742553746	QJKTVMYDATZZAF-UHFFFAOYSA-N	324.424	3.961	50	20	DHGD	
CN(CC(=O)NNc1ccc(Cl)cc1Cl)c1ccccc1	748018245	LJFLZWNIGJHQEZ-UHFFFAOYSA-N	324.211	3.573	50	20	DHGD	
Cc1c(NNC(=O)c2cccc(C(F)F)c2)cccc1[N+](=O)[O-]	748665772	DSZWPZCAXATDKZ-UHFFFAOYSA-N	321.283	3.598	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@@H]2CCCC(C)(C)C2)cc1OC	752718602	NIHICYYVQWOBFY-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cccnc2Cl)cc1	754479817	GKGYCGVMXVOUDL-UHFFFAOYSA-N	303.793	3.835	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2cccc(Cl)c2)ccc1F	756908299	BTTPOABGRFPHRW-UHFFFAOYSA-N	320.751	3.829	50	20	DHGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)c3cccc(F)c3)ccc21	773169400	BEFLADOMPDZBIT-VGOFMYFVSA-N	305.312	3.502	50	20	DHGD	
CC1(C(=O)NNc2ncccc2C(F)(F)F)CCCCCC1	781427273	JSOKQDMBWNSVPO-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CC(C)(C#N)CCCOC(=O)[C@H](Br)C(C)(C)C	784733152	MTVCBAMRYQRTSG-JTQLQIEISA-N	304.228	3.669	50	20	DHGD	
CC[C@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)c1ccc(Cl)cc1	786678873	HMZBDLHTSHGAIG-CTXBLAANSA-N	317.772	3.704	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cnc(O)c3ccccc23)c(C)c1	787135429	XCBQFMSGGQWWHO-UHFFFAOYSA-N	321.380	3.623	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)C1CCC(F)(F)CC1	788714339	XLRWTDUFWSEPCS-UHFFFAOYSA-N	310.344	3.626	50	20	DHGD	
CC(C)(C)CC(=O)NN=C(C[C@@H]1CCOC1)c1ccc(F)cc1	792999144	LCUIHKXMISKPFQ-ZDUSSCGKSA-N	320.408	3.509	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccccc1OC(F)F	797317630	GSHXUULQHXUOIH-SDNWHVSQSA-N	322.355	3.891	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1occ2c1CCC2	802829379	QVOFIOKBQHFUIV-UHFFFAOYSA-N	311.168	3.832	50	20	DHGD	
CC[C@H]1CO[C@H](C)CN1Cc1ccc(OCCCCl)cc1	811453397	LMUCXWTYBQLVSI-ZBFHGGJFSA-N	311.853	3.694	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(OCCCCl)cc1	811686514	DBJQQFBOTKMRDC-UVTDQMKNSA-N	307.777	3.553	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1ccc2ccccc2n1	812370841	TXPDSTGHNYUILG-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnn1C(C)C	812766584	KFNPZSBIQGCRPR-UHFFFAOYSA-N	300.406	3.653	50	20	DHGD	
CC(F)(F)c1ccc(C(=O)NNc2c(F)cccc2F)cc1	815852387	SFOFKJCSPVABFR-UHFFFAOYSA-N	312.266	3.833	50	20	DHGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)N(C)CC(Cl)Cl)c1	816629460	NFVKDVXGPSBPBV-SECBINFHSA-N	324.635	3.678	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(Cl)n1)c1cccc(F)c1	817005155	HEPPCXSJZQWXBS-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC=CCC1	827516405	VEUQGTWDSFWBIJ-AWEZNQCLSA-N	314.307	3.775	50	20	DHGD	
CCC(F)(F)C(=O)NNc1c(Cl)cc(F)cc1Cl	831534994	OGSWBUUKUYPEKI-UHFFFAOYSA-N	301.095	3.621	50	20	DHGD	
CCn1nnc(C)c1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	834408608	LYUJNCZCNZKQCK-RVDMUPIBSA-N	322.412	3.694	50	20	DHGD	
C=COc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1	837760734	HJIAAYWANOLNLX-UHFFFAOYSA-N	319.792	3.513	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)CCc1ccccc1	843539946	OGZUEAFWTIVZOS-INIZCTEOSA-N	316.445	3.539	50	20	DHGD	
Oc1ccc([C@@H]2CCCN2C[C@@H](CBr)C2CC2)cc1	859174022	OBITWFWFWCARNM-ZBFHGGJFSA-N	324.262	3.950	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)N2CCCC2)cc1	865220847	ROSJISWSYDUGQK-VUODPORTSA-N	324.424	3.835	50	20	DHGD	
CCC(=O)NN=Cc1c(C(C)C)nn(-c2ccccc2)c1Cl	914554854	WYANMQBHYMLTMK-UHFFFAOYSA-N	318.808	3.509	50	20	DHGD	
CC(F)(F)CCC(=O)NN=C(c1ccccc1)c1ccccc1	915802684	RPMQEVHUMZNDHT-UHFFFAOYSA-N	316.351	3.991	50	20	DHGD	
O=C(NCc1ccccc1Cl)NNc1ccccc1Cl	915883799	BGBVJDMIFJHICX-UHFFFAOYSA-N	310.184	3.820	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)NC(C1CC1)C1CC1	916250988	VHNYHAMTURGETE-UHFFFAOYSA-N	314.216	3.808	50	20	DHGD	
CC(C)(C)C(=O)NN=C1CCOc2c1ccc(Cl)c2Cl	920373481	BYAFGCXCYKUOFO-UHFFFAOYSA-N	315.200	3.642	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1ccc(C(C)(C)C)cc1	920374634	GNQOVPSEWRGBLP-UHFFFAOYSA-N	324.424	3.686	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(Cl)cc2C)CCO1	928336819	DNYBBQUCQSQBPV-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)c2ccccc2Cl)c1	1084501985	MGVZFNJBKHOZNP-UHFFFAOYSA-N	314.772	3.669	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](c2cccnc2)C(C)C)cc1Cl	1321124696	BIPMCYSAVYFYOC-MRXNPFEDSA-N	317.820	3.926	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCN(c3ccccc3)C2)c(C)c1	1330575339	LPDZMSLJYZLPLZ-QGZVFWFLSA-N	323.440	3.581	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(C(=O)O)cc1)C1CCCCC1	1776099350	BZOWFGNTSRUFJY-UHFFFAOYSA-N	316.401	3.851	50	20	DHGD	
Cc1cccc(COc2ccc(CNC=C(C#N)C#N)cc2)c1	32585076	NIPSGULQCRLPIL-UHFFFAOYSA-N	303.365	3.595	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2ccc(Cl)cc2)cc1	120111518	NSMGFXKZAWVDHS-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)cc1C	127210451	IDYXWNVNKJZHBK-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127722141	YPKDEVUXKPGKON-LDADJPATSA-N	306.365	3.999	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)o1	172043487	NAFLNTCRHQYOCM-KPKJPENVSA-N	318.311	3.561	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1Cl)c1nnc2n1CCCCC2	178297191	VZPKNPARHOUKNV-XYOKQWHBSA-N	316.767	3.861	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc2ccccc2c(Cl)n1	178662870	BQRVEXCRZKGCRT-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1c(C(=O)NNc2ccnc(F)c2)sc2ccc(F)cc12	182447832	LBEAVQBVGAHBFF-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNc3ccncc3)c2)n1	183087240	XNLXNGGMODSWMT-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(Cc2ccccc2F)CC1	188973056	HRQFUCXVEHCXNT-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
Cc1cccc(NNC(=O)CCCOc2ccc(Cl)cc2)c1	195662090	IFXVVYFQGRLDLP-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccccc2F)ccc1O	212675357	SOZPMRFMTMMZOE-LCYFTJDESA-N	311.312	3.720	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ncccc2C)c(C)s1	276741664	OKDLPYWELMGMAY-UHFFFAOYSA-N	303.431	3.534	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cccs2)cc1	490693449	IXHHZPVRTAJVDD-LQELWAHVSA-N	312.394	3.541	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1	491079768	BKXGRONQVBGRBP-XXYJFICJSA-N	318.804	3.536	50	20	DHGD	
CC(C)(C)c1cnc(/C=C(/C#N)C(=O)Nc2ccccc2)s1	491132110	MOMDPEMGBGJQRA-XFXZXTDPSA-N	311.410	3.986	50	20	DHGD	
N#C/C(=C/c1ccc(Br)cc1F)C(=O)c1ccco1	732577302	AXTCOLARTZNYRH-POHAHGRESA-N	320.117	3.971	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2ccccn2)C[C@H](c2ccccc2)C1	749853724	VDPYIKHZTNIOAJ-GOEBONIOSA-N	307.397	3.771	50	20	DHGD	
CCc1ncc(C=NNC(=O)Nc2ccc(C)cc2Cl)s1	752165136	FRMFIEPRSOGVSZ-UHFFFAOYSA-N	322.821	3.823	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCc2ccsc2)cc1Cl	753317323	IYPMXCMEJROSKV-UHFFFAOYSA-N	319.817	3.739	50	20	DHGD	
Cc1ccccc1C(=O)NN=CCCCCOc1ccccc1	753955685	PTJMFGSQIUDXRK-UHFFFAOYSA-N	310.397	3.960	50	20	DHGD	
CC(C)(C=NNC(=O)Cc1ccc2ccccc2c1)CCC#N	755655003	ATJGCRKPFPFNHV-UHFFFAOYSA-N	307.397	3.814	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(Cl)cs1	758212615	ZMXBVVYKRNXRLK-UHFFFAOYSA-N	313.718	3.538	50	20	DHGD	
CN(N=C1CCCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(N)=O	767909731	TWQWEEFZFQOSCU-GFCCVEGCSA-N	313.323	3.730	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@@H]2CCC[C@@H](C)C2)o1	768364565	KJWBFDHLCYPPFC-HUUCEWRRSA-N	319.449	3.663	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)c1c(F)cccc1F	770406998	HKCHAQWXPWXVEO-BDAKNGLRSA-N	321.161	3.643	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](c1ccccc1)C1CC1	771294213	BLVYTRCWXOAMOS-QGZVFWFLSA-N	313.376	3.912	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	773106208	YZAFKMARHAZKBW-WCQYABFASA-N	308.809	3.812	50	20	DHGD	
CC(Cc1ccccc1F)=NNC(=O)Cc1c[nH]c2ccccc12	780196779	KFPSLGKDSXGZCA-UHFFFAOYSA-N	323.371	3.584	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)on2)[C@@H]1C	781123745	HOETWIOUOIYVLB-QWHCGFSZSA-N	311.385	3.884	50	20	DHGD	
Cc1cccc([C@H](C)OC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	784019624	GZCJPEAIJUXIPL-FMNVXAMXSA-N	307.349	3.912	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1Cc1ccc(C)cc1	790879975	FPOFITQGXCCRCE-HNNXBMFYSA-N	324.515	3.723	50	20	DHGD	
C=C(CBr)CN1CCC(c2cccc(F)c2)CC1	791473575	ODAKSKXRNGTCTK-UHFFFAOYSA-N	312.226	3.956	50	20	DHGD	
CCOc1cc(Cl)ccc1NC(=O)NNc1ncccc1C	792331070	VXCZATCKBGQNQL-UHFFFAOYSA-N	320.780	3.591	50	20	DHGD	
CSSCCNC(=O)Nc1ccc2nn(C(C)C)cc2c1	794204342	AOCOHFOIOIOTAP-UHFFFAOYSA-N	324.475	3.750	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)C(=O)NC1CCCCC1	794691584	QVCIRZWXOHYNFV-UUEBSLNCSA-N	316.351	3.877	50	20	DHGD	
CN(CCc1nccs1)Cc1ccc(OCCCCl)cc1	798184989	LEPCDPAXOZRXGF-UHFFFAOYSA-N	324.877	3.825	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1cnccc1C	799615169	YNMGOWQMMDLXOB-CQSZACIVSA-N	312.417	3.648	50	20	DHGD	
Cc1ccnc2ccc(C(=O)OC[C@H](C)CBr)cc12	803869901	JRUHJPPGLGFBEG-SNVBAGLBSA-N	322.202	3.731	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cn1	812245143	QHCAYCFWHJMKHY-TVBBHRQBSA-N	313.263	3.888	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1	812768284	NHWUJIJUQZWADO-KGLIPLIRSA-N	302.418	3.567	50	20	DHGD	
CCc1cc(NC(=O)NNc2c(C)cccc2C(C)C)nn1C	817328951	DSUVBVOHDMQHTI-UHFFFAOYSA-N	315.421	3.563	50	20	DHGD	
O=C(CCC1CCCC1)NNc1cc(Cl)nc(Cl)c1	819741170	GJWYYXBTAYFZQQ-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1cccc(Cl)c1Cl	828559546	BCIZBTHKQKSJCV-IONNQARKSA-N	320.245	3.514	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@H]1C	832969343	WTELFZXQQWEYGW-MXWKQRLJSA-N	315.339	3.616	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C(C)C)cc2)nc1Cl	837053137	PFHBVUMTHKJDQB-UHFFFAOYSA-N	319.792	3.624	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1ccc2c(c1)OCC2=O	853745140	NBBSUQMVVWJHAX-UHFFFAOYSA-N	308.450	3.662	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@]1(c2ccccc2)CC1(C)C	854477923	BJQXZBJMPVFOLP-HNNXBMFYSA-N	300.229	3.616	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1F	855626493	GUTVURINVCEUPU-UHFFFAOYSA-N	321.308	3.516	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccnc(F)c1)c1cccc(Cl)c1	860693801	GNNHZRMJLCDGPA-CQSZACIVSA-N	321.783	3.901	50	20	DHGD	
CC[C@](C)(C#N)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912580241	BHTFIASQRRNPPC-CZUORRHYSA-N	310.514	3.549	50	20	DHGD	
N#C[C@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1Cl	1548646692	WDLJFUREVROZHM-MGULZYLOSA-N	311.212	3.818	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(F)c(Cl)c1	5131269	UVSKTGFUCLLDDG-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
C[C@@H]1Cc2cc(/C=C(\C#N)c3nc4ccccc4n3C)ccc2O1	33505170	UJPPDNPPGYFFRV-KWWJGWKXSA-N	315.376	3.961	50	20	DHGD	
O=C(NNc1ccccc1)c1csc(-c2ccccc2F)n1	111553252	WQRNLPBNIJKQSH-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1c(F)cccc1F	118512288	CDNSAWDZIRVDRQ-UHFFFAOYSA-N	306.312	3.509	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NNc1c(Cl)cccc1Cl	133240403	OYZQGJIUHDVFAH-VIFPVBQESA-N	305.205	3.642	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3cccc(C#N)c3)csc2C1	152307767	DXFHSTJASWYXPB-LLVKDONJSA-N	311.410	3.501	50	20	DHGD	
COc1ccc(C)cc1[C@@H](C)NC[C@@H](C)CBr	152765639	MWPFCLDGBFICQV-NWDGAFQWSA-N	300.240	3.685	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C(C)C)c(SC)cc1OC	172698936	FBMFGJQQZHSLQO-WUXMJOGZSA-N	305.399	3.558	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	182971736	CYEMHOVICVCLIE-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
Cc1csc([C@@H](C)CNC(=O)NNc2ccccc2Cl)n1	186822538	FFBWIAGEKOSKHF-VIFPVBQESA-N	324.837	3.535	50	20	DHGD	
CCCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	188169050	ARHSQMJYSZDXRH-VBKFSLOCSA-N	306.365	3.890	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccsc1	189115772	OVQWNVFETPKAHX-UHFFFAOYSA-N	317.292	3.795	50	20	DHGD	
Cc1ccc(N(C)C(=O)c2c(C)nn(CCCl)c2C)cc1C	265098122	QSPMOFDRNSYDAC-UHFFFAOYSA-N	319.836	3.632	50	20	DHGD	
O=C(NNc1ccncc1)C1(c2ccc(F)cc2)CCCCC1	272911287	DBSCFBJGLZWCSI-UHFFFAOYSA-N	313.376	3.566	50	20	DHGD	
Cc1cc(Cl)c(NC(=O)NNC(=O)OC(C)(C)C)cc1C	296909018	DBIFSMKNCHNKFH-UHFFFAOYSA-N	313.785	3.518	50	20	DHGD	
Cc1ccccc1C(C)(C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	490971003	IFQJYNPTPCREQM-VBKFSLOCSA-N	320.392	3.659	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1cc(F)c(Cl)cc1Cl	725854574	UCJLUNVHSVCYSV-UHFFFAOYSA-N	314.147	3.615	50	20	DHGD	
C[C@H](CC(=O)NNc1nc(-c2ccccc2)no1)CC(C)(C)C	728079861	JKXODRKUEZPFSC-GFCCVEGCSA-N	316.405	3.642	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(F)c(C)c2)cc1	729150976	SGWXGAICTHXMOV-YBEGLDIGSA-N	315.369	3.781	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@@H]2CCCC[C@H]2C1	731487844	GJFLGWYLHQVGRD-KBPBESRZSA-N	300.402	3.771	50	20	DHGD	
O=C(NN=C1CCCc2cc(SC(F)F)ccc21)C1CCC1	731936121	IBPBFYGHLMTVMV-UHFFFAOYSA-N	324.396	3.958	50	20	DHGD	
CCc1cnc(COC(=O)CCCC[C@H]2CCSS2)o1	744551640	DOOUZJZZXPNQDW-LBPRGKRZSA-N	315.460	3.994	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1cc(C)ccc1C	747059188	JFBULAKMUQDNGA-UHFFFAOYSA-N	310.397	3.613	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cccc(-c2ccccn2)c1	747755589	RGJQWTAVCKLWIJ-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
CC(C)CCCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	747878357	DGBUYHBDAGCQAG-UHFFFAOYSA-N	318.461	3.718	50	20	DHGD	
CCOC(=O)NN=C1CCCc2cc(SC(F)F)ccc21	750916550	LZYUICSNGJXWRA-UHFFFAOYSA-N	314.357	3.788	50	20	DHGD	
Cc1ccc2c(c1)S/C(=C/c1cnn(CCCl)c1)C2=O	752887029	JSQMRWOAXYBPTR-VGOFMYFVSA-N	304.802	3.760	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C/C2CCCCC2)cc1Cl	753297759	LSPRWPSALZVALM-RMKNXTFCSA-N	303.793	3.791	50	20	DHGD	
Cc1c(Cl)cc(NC(=O)NNC(=O)CC(C)C)cc1Cl	756246175	TUYHFGKCKFLHLC-UHFFFAOYSA-N	318.204	3.501	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ncnc2ccsc12	766671165	GYYYQFGALVJKRQ-LBPRGKRZSA-N	318.446	3.741	50	20	DHGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNc1ccccc1F	768093089	CNFWBEUFYAZKMQ-CYBMUJFWSA-N	324.355	3.890	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cccc2cnccc12	770197689	JIFOHFIXEVAYBU-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)OC[C@@H](C)CBr	770363210	SWTNBETWFGLVME-NSHDSACASA-N	313.235	3.847	50	20	DHGD	
CCCC(=CC(=O)NNc1oc(C(C)C)nc1C#N)CCC	770720014	PAXPRQHRORGSNV-UHFFFAOYSA-N	304.394	3.639	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cscc1Cl	771842342	RHWVGRYLTNEGFM-UXBLZVDNSA-N	318.785	3.956	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(C#N)cc3F)[nH]c12	772798762	YABDHGGSHBOQHZ-ZSOIEALJSA-N	302.312	3.946	50	20	DHGD	
Cc1ccc2c(c1)CCN2/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	773653260	XETUAWAZSDLQCT-LSCVHKIXSA-N	305.337	3.830	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(C#N)c(F)c1)c1ccccc1	776769860	JVKFPVSWJIBTMT-QGZVFWFLSA-N	323.371	3.731	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)C1CCCC1	781552887	FQGMQUWBQWWXJM-GHXNOFRVSA-N	304.733	3.914	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)c(O)c1	787133334	AHXQUTFUWJZTHU-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
C#Cc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	792635724	KBXHASCBVRFGRR-UHFFFAOYSA-N	317.175	3.739	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=C[C@@H]1CCCSC1	794889119	UJOBPXSBZBPPLG-AWEZNQCLSA-N	312.438	3.628	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1occ2c1CCC2	795021389	QWZKUKZMGOHVMF-UHFFFAOYSA-N	310.275	3.544	50	20	DHGD	
C=C(CBr)COC(=O)[C@H]1CCCc2sccc21	795561267	JHTVYCQUNRQQOO-NSHDSACASA-N	315.232	3.662	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(Oc2ccccc2)cn1	799705338	UGHLITQUGBZXOY-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-c2ccccc2)c1	806760388	HMFMNRNECBJXBQ-CYBMUJFWSA-N	311.385	3.552	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1c(Cl)cccc1Cl	808247936	WXPOXDOXCXWEFS-UHFFFAOYSA-N	301.000	3.869	50	20	DHGD	
Cc1ccc2sc(C(=O)NNC(=O)CC3CCCC3)cc2c1	810282273	QRPOCTKOEDABDG-UHFFFAOYSA-N	316.426	3.551	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1cccc(C2CC2)c1	814711806	XCXOUKVISHTCNW-UHFFFAOYSA-N	307.397	3.516	50	20	DHGD	
O=C(NN=Cc1cccnc1Cl)c1ccc2ccccc2c1	814810289	GIDMXOWXXWDJQX-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
O=C(CC1CC1)NN=Cc1c(OC(F)F)ccc2ccccc12	814988698	SFIDSWTVGAUMPQ-UHFFFAOYSA-N	318.323	3.691	50	20	DHGD	
O=C(NN=Cc1cccnc1)Nc1ccc(Cl)cc1Cl	814996541	REHLHYRUZSRNEZ-UHFFFAOYSA-N	309.156	3.544	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)Nc1cc(F)cc(F)c1	815006228	BKWBSANMSIFUNK-UHFFFAOYSA-N	315.732	3.835	50	20	DHGD	
C[C@@H]1CC2(CCOCC2)CN1CCO[Si](C)(C)C(C)(C)C	830603083	GLIOZKADQLXLKQ-OAHLLOKOSA-N	313.558	3.899	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(OC(C)C)nc2)c(Cl)c1	836937434	CMVWLTKHGCRVKY-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC[C@H]2CCO[C@H](C)C2)cc1	838545995	LZBRNZQUQWCNJZ-CABCVRRESA-N	319.449	3.641	50	20	DHGD	
O=C(NC[C@H]1CCCCC1(F)F)NNc1ccccc1Cl	838635580	DQUBZTYBWBMVHQ-SNVBAGLBSA-N	317.767	3.792	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(CC(C)C)c[nH]1	839722280	XWRXEZXDPNALLR-UHFFFAOYSA-N	322.412	3.827	50	20	DHGD	
Cc1occc1C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	841610356	HOOPGLQBMUKSRA-SNVBAGLBSA-N	302.399	3.538	50	20	DHGD	
O=C(NN=Cc1csc(Cl)c1Cl)OCC(F)(F)F	853430060	WQDWYNUDVVYAQT-UHFFFAOYSA-N	321.107	3.677	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1cc(F)cc(Cl)c1	855618448	GTFQGDMXYCFQQA-UHFFFAOYSA-N	316.804	3.644	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618821	SAGPTGQVBWQJSG-HZMBPMFUSA-N	314.788	3.518	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1ccc(Cl)cn1	856094496	KOMSZLGNDAEBDN-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCOc2cccc(C)c2)c1	857499809	FXCDRIPEORJGJH-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
Cc1sccc1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	870689057	DVLZWGCCKNTXCE-UFGOTCBOSA-N	314.248	3.949	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccccc1OC(F)F	915971345	PQKGQHCPLYBILX-UHFFFAOYSA-N	319.311	3.752	50	20	DHGD	
COc1cccc(CN(C)/C(=C\C#N)c2cccc([N+](=O)[O-])c2)c1	916145333	BSXPXEUZWYJJSZ-NVMNQCDNSA-N	323.352	3.600	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C/C(C)=C\c2ccccc2)c1	916314527	IADHFZGJPQEHBW-MHNHWIBQSA-N	324.380	3.523	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1scnc1C	917545392	UQKGWLNZMTUMRP-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
CC(C)CC(=O)NN=C1CCOc2c1ccc(Cl)c2Cl	920364542	UDUBOFPDGWHZCR-UHFFFAOYSA-N	315.200	3.642	50	20	DHGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)[C@@H](c1ccccc1)N(C)C	1123691297	IUGJMPQOCQDXRJ-LYAPFXNSSA-N	322.880	3.592	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(F)c(F)c1	4977992	TWGXDQAGKIRLOW-ABFHGOLWSA-N	304.340	3.567	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1OCC#N	60422219	CSYFCVCDFAJXIW-NTEUORMPSA-N	312.369	3.510	50	20	DHGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2cccc(F)c2)s1	154579927	MVMIGNJFYHKDMP-BQYQJAHWSA-N	319.405	3.736	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(SC(F)F)cc1	155014379	ZCAUARLRZKQBLV-UHFFFAOYSA-N	312.316	3.897	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)s1	177891118	AFQKXECNYDPRJW-UKTHLTGXSA-N	312.394	3.919	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1cccc(Cl)c1Cl	178320217	VJXQYFAJFQTUKO-YWEYNIOJSA-N	324.192	3.996	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1	178864996	YVXGPJBTYGJQRW-UHFFFAOYSA-N	307.309	3.505	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1Cl	255718393	KOXXFIXLMMRDKE-MDWZMJQESA-N	305.761	3.763	50	20	DHGD	
CCOCc1cc(/C=C(\C#N)C(=O)[C@@H](C)CC)ccc1OC	263641173	BSCOVXCCWMNJHH-NCPSJORJSA-N	301.386	3.754	50	20	DHGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1ccc2c(O)nccc2c1	295999036	MAGOBVBCURKMBK-SWLSCSKDSA-N	313.401	3.600	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nccs2)cc2cccnc12	491085839	RSESROPWBKKWES-NTEUORMPSA-N	320.377	3.545	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)c2cccnc2)c1	729633648	QNVQVEWBZXAEEC-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccccc1Cl)c1ccccc1	731931315	FDWONBOHMPERKE-HNNXBMFYSA-N	300.789	3.984	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)c1C	734482866	FTFAVCGMUOAOHE-YBFXNURJSA-N	321.424	3.657	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cc(Cl)ccc1O	737426553	AVRXLNFPTKEGEG-NSHDSACASA-N	306.793	3.732	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@@H]1C[C@@H](C)c2c(C)cccc21	754312645	XPNREVHJXNBVGD-CABCVRRESA-N	309.413	3.823	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=CC[C@H](C)c1ccccc1	755507168	QJYADNVQUAWNMP-AWEZNQCLSA-N	320.396	3.552	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc(OC(F)F)cc1	755742000	CQZSPZNNWHYGFE-SDDRHHMPSA-N	321.327	3.608	50	20	DHGD	
CC(C)c1cccc(NC(=O)NNc2ccccc2[N+](=O)[O-])c1	758145550	ZJWVFZGSNIWJRT-UHFFFAOYSA-N	314.345	3.867	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2c(Cl)cccc2Cl)[nH]1	760247437	AMAXZZWHEWXRDG-UHFFFAOYSA-N	310.184	3.702	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)c2ccc(Br)s2)c1	763285601	UFMNYZNHSJQJDZ-UXBLZVDNSA-N	321.199	3.639	50	20	DHGD	
Cc1ccc(NC(=O)[C@H](Br)C(C)(C)C)c(C)c1O	768262995	HUFPSPBRIPJCBU-LBPRGKRZSA-N	314.223	3.757	50	20	DHGD	
Cc1ccc2cc(C(=O)OC[C@@H](C)CBr)[nH]c2c1	770298973	XWGVPSUUKJTXQK-JTQLQIEISA-N	310.191	3.664	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccc1)C(=O)c1ccc(Cl)cc1	777422216	QTGKOHIIAMUCCI-GFCCVEGCSA-N	316.788	3.692	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C(C)(C)C)cc2)nnc1C	780578706	QVMRZODUKCDNSA-UHFFFAOYSA-N	313.405	3.540	50	20	DHGD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@H](Br)C(C)(C)C	781069813	FOBXRDISYAWDPR-MFKMUULPSA-N	310.235	3.774	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1nc2ccccc2cc1C	785629515	SGJDFNVXKXWCDN-UHFFFAOYSA-N	319.408	3.791	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	787169134	MLNLCTFYHBTZIK-YRNVUSSQSA-N	315.712	3.730	50	20	DHGD	
COc1cc(NNC(=O)c2cccc(C(C)C)n2)ccc1Cl	790179272	NPNSWCUDZRHPJW-UHFFFAOYSA-N	319.792	3.624	50	20	DHGD	
CSSCCNC(=O)CCCC[C@@H]1CCSS1	791100556	RKELNWPDBFQDBS-SNVBAGLBSA-N	311.563	3.828	50	20	DHGD	
C=C(CBr)CN1C[C@H](C(F)(F)F)CC[C@@H]1C	791485918	DMMGHIJAGJLRMW-VHSXEESVSA-N	300.162	3.600	50	20	DHGD	
O=C(C=C1CCSCC1)NNc1cc(Cl)cc(Cl)c1	791726932	OWZFDBUIQZMLHQ-UHFFFAOYSA-N	317.241	3.890	50	20	DHGD	
O=C(NN=C1CCC2(CC1)CC2)c1cccc(OC(F)F)c1	792633711	NQHBCUWRGSVRHA-UHFFFAOYSA-N	308.328	3.728	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCC[C@H]1CC)c1ccccc1	793483268	QBBHAKHSJCDASZ-HYVNUMGLSA-N	316.445	3.544	50	20	DHGD	
CCCN(N=Cc1cn2cc(C)ccc2n1)C(=O)OC(C)(C)C	794994930	ATAJKTDXQBGBDI-UHFFFAOYSA-N	316.405	3.624	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc2ncccc2c1	797325774	VCGANXWFWYLADM-LGMDPLHJSA-N	307.397	3.838	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccncc2)c1C	803255533	OERNVEFUKVXBDJ-WOJGMQOQSA-N	323.396	3.560	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCCC1CC1	812496095	ZHHJDCJUHCSDHB-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)Nc1cc(F)cc(F)c1	815006674	ZDHABSJLTBAXMK-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822556954	SVWBFPJNGMQREI-LKFCYVNXSA-N	311.769	3.518	50	20	DHGD	
C[C@@H](C(=O)NCC(Cl)Cl)c1ccccc1C(F)(F)F	837647646	ANNPJNUEGUPTCJ-SSDOTTSWSA-N	314.134	3.729	50	20	DHGD	
CSc1ccc(CCCC(=O)NNc2cc(C)ccn2)cc1	844135832	XXLGTANGUKDUMK-UHFFFAOYSA-N	315.442	3.578	50	20	DHGD	
CCOCCC1(C(=O)NNc2cc(F)ccc2C)CCCC1	855367517	VNHMSFWLAMEMON-UHFFFAOYSA-N	308.397	3.564	50	20	DHGD	
CC[C@H](CC(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccccc1	857404566	YXXJEVWDVWCBBO-IVMMDQJWSA-N	324.262	3.860	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cnn(CCF)c1	862808546	QUMHFFKCVDMJQW-GFCCVEGCSA-N	317.455	3.505	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)ccc1F)C(=O)C1CCCCC1	865221129	COLFYPNILZDCIQ-ZROIWOOFSA-N	301.317	3.580	50	20	DHGD	
CCCN(N=Cc1cnn(C2CCC2)c1)C(=O)OC(C)(C)C	901237668	WZVMWSFXHFMNIV-UHFFFAOYSA-N	306.410	3.589	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2CCCC2)c1C	914736208	OWPSYDBMWXGMFB-WQRHYEAKSA-N	313.445	3.728	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)CC(F)(F)F	917551441	JLNVRRQQFMSGCI-UHFFFAOYSA-N	300.324	3.799	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccccc2F)n1	920388190	TYGSVQIVUSNGMH-YRNVUSSQSA-N	302.330	3.523	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccccc2Cl)o1	1115818763	WGCAPDUKHDBHCY-GXFFZTMASA-N	302.761	3.820	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccn1C1CC1)c1ccccc1	1117944635	JZEXGTCDUMPHQO-AOHITCTBSA-N	305.381	3.607	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccccc1Cl)c1ccccn1	1322546439	KCMOUHBTDDNBMW-UHFFFAOYSA-N	315.804	3.915	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)C2CCOCC2)c1	1331360431	LJQWZXMNNXNWAS-UHFFFAOYSA-N	322.408	3.539	50	20	DHGD	
CCCn1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c(C)n1	1337682187	QVUYYFPPNFGLAJ-YBEGLDIGSA-N	322.412	3.764	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045317	STHORSULYPHEQS-VXGBXAGGSA-N	317.389	3.709	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2)cc1	7769642	XWNBJXNBSKTWSO-SFQUDFHCSA-N	307.349	3.736	50	20	DHGD	
Cc1noc(C)c1C(=O)NN(c1ccccc1)c1ccccc1	14862480	LAQHMYRRAAEVMO-UHFFFAOYSA-N	307.353	3.775	50	20	DHGD	
CN(C)[C@@H](CNC(=O)c1cccc(CCl)c1)c1cccs1	40799383	DUURNPUJXXLBIK-AWEZNQCLSA-N	322.861	3.520	50	20	DHGD	
CCCCCCCCC(=O)NNc1ccc(C(F)(F)F)nn1	124223571	NGWIXKMWJNPSSO-UHFFFAOYSA-N	318.343	3.689	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1cccnc1Cl	128407897	MFAKJPHCLLYHHV-CQSZACIVSA-N	317.820	3.693	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2ccccc2)on1	161086652	VKTUPBDUEKCWAD-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2c(F)cccc2F)cc1	176163950	NPIZQCSYQZOWJY-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2sccc2C)o1	177614120	GELBXIPTJRPHBK-DHZHZOJOSA-N	315.350	3.616	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccccc2C)cc1OCC	192736887	ZXQULIHFWISCLN-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccccc1OC(F)F	193801346	QXQZNABKHZOBLU-JLHYYAGUSA-N	308.328	3.501	50	20	DHGD	
CCc1cc(C)cc(CC)c1NC(=O)NNC(=O)OC(C)(C)C	280839564	WAXYUDOJBYQHHA-UHFFFAOYSA-N	321.421	3.681	50	20	DHGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1ccccc1	303487442	RJOUJIITSPXJPR-CQSZACIVSA-N	312.413	3.895	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](c2ncc[nH]2)C1	377583460	IJLBUEGGDAZVMM-AWEZNQCLSA-N	309.530	3.611	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)o1	490724733	AXLCOJPNFWGOPQ-NTEUORMPSA-N	310.353	3.589	50	20	DHGD	
Cc1ccc(/C=C\C(=O)NNc2c(C)cccc2C(C)C)cn1	493746038	MXGVGCVAOFZFKO-KHPPLWFESA-N	309.413	3.978	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1	588597466	KYRQSTOMVCEGPR-OVCLIPMQSA-N	323.298	3.767	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)c1nc2ccccc2[nH]1	726876350	OSHGHRAZVZUDBD-VURMDHGXSA-N	318.167	3.667	50	20	DHGD	
C[C@@H](C=NNC(=O)Cn1ccc2ccccc21)c1ccccc1	729638160	CUZOHUYMVHICHZ-HNNXBMFYSA-N	305.381	3.547	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc(-c3ccccc3)on2)cc1F	731486857	XMMUDFUJRNZVQX-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)c2ccccc2O)C(C)C)cc1	741451587	KEIDRCGMEGOZEQ-UHFFFAOYSA-N	310.397	3.685	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C(F)(F)c2ccc(F)cc2)c1	748402188	HLDMORYSPXBNBB-UHFFFAOYSA-N	308.303	3.678	50	20	DHGD	
CSCC(=NNC(=O)c1ccc(Cl)cc1)c1ccccc1	749444749	ZQQSZKRSESAHPG-UHFFFAOYSA-N	318.829	3.837	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cc2ccccc2nc1Cl	749449209	CWFSFLDVRSKVDJ-UHFFFAOYSA-N	315.804	3.919	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1oc(C(C)C)nc1C#N)C(C)C	755254180	HBXCKISGHQAROC-CYBMUJFWSA-N	320.437	3.965	50	20	DHGD	
CC(C)(C=NNC(=O)c1cc2ccccc2cc1O)CCC#N	755481845	PYRVOQLBIOIUIN-UHFFFAOYSA-N	309.369	3.591	50	20	DHGD	
N#C/C(=C\c1csc(-c2ccc(F)cc2)n1)c1ccncn1	758915377	XUXASJUTTXYVBS-KPKJPENVSA-N	308.341	3.803	50	20	DHGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNc1ccccc1Cl	761036202	ILLGRGZUUGZIDQ-QMMMGPOBSA-N	309.719	3.697	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cnc(C2CC2)s1)c1ccccc1	761809423	MEYUTECHPPJUHX-OAHLLOKOSA-N	313.426	3.664	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1ccc(O)c(Cl)c1	764691648	FQVXTDXPWNFCAQ-GFCCVEGCSA-N	308.809	3.978	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cncc(Br)c2)sc1C	767361084	OCGXPBHIMNGREY-QDEBKDIKSA-N	320.215	3.982	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cc(OC)cc(OC)c1	769568580	JHULRVSKCIGGFP-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)OC2CCCCC2)c2ccccc21	769725847	NBZDLWOEKMRDJG-OWBHPGMISA-N	323.396	3.839	50	20	DHGD	
CC(C)c1cccc(C(C)C)c1NC(=O)NNc1cnccn1	769923892	VNNABMVIUXEFBH-UHFFFAOYSA-N	313.405	3.872	50	20	DHGD	
C[C@H]1Cc2ccccc2N1C(=O)[C@@H](Br)C(C)(C)C	781069812	FOBXRDISYAWDPR-GXFFZTMASA-N	310.235	3.774	50	20	DHGD	
CC1(CC(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCCCC1	788149517	RNBWHDLRSAKHBK-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CSSCCNC(=O)N1C[C@@]2(C)C[C@H]1CC(C)(C)C2	790880747	NXRNGXPRQSDQRH-RISCZKNCSA-N	302.509	3.608	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	794684444	BKHKXWWRWVQCQE-WZUFQYTHSA-N	324.771	3.653	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)c1cccc(Cl)c1	795523224	CCSRDYOHULHBJM-SNVBAGLBSA-N	317.610	3.938	50	20	DHGD	
CC[C@@H](C)[C@H](OC)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	796790965	AMTXNCMGJKPICO-BZNIZROVSA-N	317.341	3.715	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)NCCCCCC)c1	797326270	LRDUDZLXXINMHZ-LGMDPLHJSA-N	312.413	3.855	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC[C@H]2CCCF)c(C)c1	800808778	PINAULYJVRIXCK-HNNXBMFYSA-N	319.424	3.737	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CCCc2ccc(C)cc21	807233549	IOVXSZYXRRAENP-AWEZNQCLSA-N	310.488	3.683	50	20	DHGD	
Cc1ncsc1CNCc1ccc(OCCCCl)cc1	811478326	GRTAIYYAMHDEGL-UHFFFAOYSA-N	310.850	3.749	50	20	DHGD	
CCc1nn(C)cc1NC(=O)NNc1c(C)cccc1C(C)C	812959240	YAACSZIFVXCWAG-UHFFFAOYSA-N	315.421	3.563	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cnn(CC(F)F)c2)c1C	814181913	BFVKGXSKAYENIV-NSIKDUERSA-N	315.323	3.555	50	20	DHGD	
O=C(NN=Cc1cnc(C2CC2)s1)Nc1ccc(Cl)cc1	815004547	IPJCGHSKKBNHTK-UHFFFAOYSA-N	320.805	3.830	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@H]2CCc3ccccc32)cc1	817895922	JBISNQQSDWIZGU-OAHLLOKOSA-N	310.397	3.649	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967731	BGCVKWMNMKFBNF-JQWIXIFHSA-N	315.339	3.760	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ncnc(Cl)c1C(C)C	840547543	QGCJTBBCAWBAFV-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(C)o1	843266520	WUPAQAWLRZFGRN-UKTHLTGXSA-N	311.385	3.901	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ccc(Cl)cn2)s1	856092655	BFHCPMJPJOJTTM-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1ccc(Cl)cn1	856093039	OXRGBUWSSYJROW-ZDUSSCGKSA-N	317.820	3.837	50	20	DHGD	
Cc1c(C(=O)NC[C@]2(C)C[C@H]2Br)oc2ccccc12	857403931	KLRJHVMPXVMEQU-DOMZBBRYSA-N	322.202	3.645	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2cc(C)nc3ccccc23)c1	915922114	AIQNZYPJLJVUPL-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccccc1	916340525	WZBZTRAXVJDZEX-ZDUSSCGKSA-N	314.360	3.524	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cccc(C(F)(F)F)c1	916361833	KWLAADGSGIOQJX-UHFFFAOYSA-N	306.287	3.778	50	20	DHGD	
O=C(CC(F)(F)F)NN=CC(c1ccccc1)c1ccccc1	917550551	HLESAPGJNDCQBA-UHFFFAOYSA-N	320.314	3.873	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCn2cccc2C1	928966593	GFWLLQJRTBHZOJ-CQSZACIVSA-N	310.488	3.544	50	20	DHGD	
CC(C)[C@@H]1C[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	935302475	KQIGLIZCVULKLN-PBHICJAKSA-N	318.461	3.878	50	20	DHGD	
Cn1cncc1[C@H]1CCCCN1C(=O)c1cccc(CCl)c1	1550783630	GZBVMKGVOUPHKI-OAHLLOKOSA-N	317.820	3.526	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605261841	LSKKFAFLWGMTGD-ZDUSSCGKSA-N	306.406	3.743	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@H]1CCCC[C@@H]1C	1776045527	QNFRXMGIXFDQQG-NHYWBVRUSA-N	317.389	3.709	50	20	DHGD	
CC1(C(=O)/C(C#N)=C\c2ccc(-c3ccc(C(=O)O)cc3)o2)CC1	1776493886	CWQPJIONNOGXKQ-UVTDQMKNSA-N	321.332	3.921	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccc(Cl)cc3)ccc2n1	120084898	UXAKZBDMYXXJGR-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc2c(c1)COC2	120561574	UVZCLCFJJWJVDH-UHFFFAOYSA-N	303.749	3.519	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)Cc2ccccc2F)c1	150772947	QNJMLHXTKZMLNG-GFCCVEGCSA-N	304.340	3.595	50	20	DHGD	
CCn1c(C(=O)NNc2cc(C)ccc2F)cc2ccccc21	150798469	VQQKGWMSDCWVNF-UHFFFAOYSA-N	311.360	3.866	50	20	DHGD	
Cc1cccc(-c2cncc(C(=O)NNc3ccc(F)cc3)c2)c1	151676747	HSJYJKSXOUTVEH-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc(OC(F)(F)F)c2)c1	159093831	NWORQAAVXHJAKJ-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)Cc1ccccc1F	161042774	GPHGZNIXGCOWPH-GFCCVEGCSA-N	304.340	3.595	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1C	171982424	VFLPMPRZNRSFAQ-RIYZIHGNSA-N	322.330	3.764	50	20	DHGD	
CCCn1cc(NC(=O)NNc2ccc(C(C)(C)C)cc2)cn1	184044266	RXXLJDSJRFNYAM-UHFFFAOYSA-N	315.421	3.739	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1	213315064	MMLMQOOOKZUGTN-GZTJUZNOSA-N	316.360	3.860	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1c[nH]c2ccccc12	254485742	CJIOGAZAFHGGEP-UHFFFAOYSA-N	311.772	3.514	50	20	DHGD	
CCCOc1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1OC	490753444	HEFSVBGKIKXXHC-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
C[C@@H](Cc1ccc(Br)cc1)C(=O)CBr	584907014	JHCJZRXYQKJMJK-QMMMGPOBSA-N	320.024	3.592	50	20	DHGD	
CC(C)CC[C@@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	726700794	OIQYLXAZEPDBHB-LLVKDONJSA-N	315.364	3.739	50	20	DHGD	
Cc1nc(-c2ccc(NC(=O)NNc3ccccn3)cc2)oc1C	727838817	NSUJIJBZHZUALG-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	727976390	RSALHESMIXVJJV-MDIKPDTRSA-N	322.330	3.706	50	20	DHGD	
CSc1ccc(C(=O)/C=C/c2cnn(CCCl)c2)cc1	728698917	BNZVTNNLCHGHAK-FARCUNLSSA-N	306.818	3.740	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)C[C@@H](C)CC)cc1	742720133	QLURKWUCAKYRKE-DYVGXENMSA-N	314.429	3.933	50	20	DHGD	
C#C[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	744181847	YMPUGISMWAUGBF-GZQZNAIASA-N	312.413	3.623	50	20	DHGD	
C[C@@]1(c2ccccc2)C[C@@H]1NC(=O)NNc1ccccc1Cl	745858292	ZWGICLTVXSMFOJ-RDJZCZTQSA-N	315.804	3.696	50	20	DHGD	
CO[C@@]1(C)CC(=NNC(=O)c2cccc3ccccc23)C1(C)C	746575816	LDDDYVLFFMZIKL-IBGZPJMESA-N	310.397	3.761	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H](C)c1ccco1	748750417	GVMKZCOQLYKKKV-JTQLQIEISA-N	323.190	3.597	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ccccc1Cl	750666881	UJFDWRNANWLLMV-ZROIWOOFSA-N	313.740	3.696	50	20	DHGD	
N#Cc1ccccc1C=NNC(=O)c1ccc(Cl)cc1Cl	755580893	HNOKMKMQIOBRKX-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
CCC(CC)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	759266194	YBWOCISZXXWQTA-UHFFFAOYSA-N	313.323	3.846	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761489020	YMSUBOOLGKGHAX-YWEYNIOJSA-N	310.227	3.744	50	20	DHGD	
C[C@H](C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)CCC#N	765994746	KFEWKYYSRPUFBH-GJZGRUSLSA-N	323.396	3.649	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@@H](F)Cc1ccccc1	770191744	VYOXVUDOWDGXRQ-ZDUSSCGKSA-N	310.731	3.503	50	20	DHGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)NCCCSC#N	773571881	PDLWQHVYVXPLQT-UHFFFAOYSA-N	310.850	3.629	50	20	DHGD	
CCSCCC=NNC(=O)c1ccc(Cl)cc1Cl	781123082	ZKODWONHERMWSG-UHFFFAOYSA-N	305.230	3.852	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@@H](C)C[C@H]1C	783821196	MEVFHZZGERWZOQ-GHMZBOCLSA-N	308.809	3.891	50	20	DHGD	
CCC[C@@H]1[C@H](C)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	787394055	CYNOXHPIBONYJE-DEKNZBOESA-N	312.413	3.726	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCC23CCCC3)c1	788699244	AYDNKGAYKPNPDX-UHFFFAOYSA-N	300.402	3.509	50	20	DHGD	
CC(C)C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788979624	ZMZPLWBIWDJYAY-UHFFFAOYSA-N	307.806	3.570	50	20	DHGD	
CC[C@H](C)C[C@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	789038724	JBKNEMGXXSWKFX-QWRGUYRKSA-N	313.829	3.799	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)c1cnc2ccccc2n1	790231354	QHBXEYVKWZKHCK-GHXNOFRVSA-N	320.283	3.741	50	20	DHGD	
Cc1nc(CC(=O)NN=CC2CCC(C(C)C)CC2)cs1	794873137	OBTWREPPMXQVJS-UHFFFAOYSA-N	307.463	3.558	50	20	DHGD	
CC[C@H](C(=O)NNc1c(C)cccc1C(C)C)N(CC)CC	794955533	VMDCNGPSPCQHAZ-MRXNPFEDSA-N	305.466	3.682	50	20	DHGD	
CN(NC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1)c1ccccc1	798090400	KLHWOQRACHILJO-JKSUJKDBSA-N	315.804	3.547	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C(CCC(C)C)C1CC1	802705060	SVVUWBLKXUDAAD-UHFFFAOYSA-N	312.417	3.575	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cnc(C(C)(C)C)s2)cc1	817879963	VARCSBOYTIROEB-UHFFFAOYSA-N	319.430	3.596	50	20	DHGD	
CCC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccncc1	834925775	RBDAXKFDGUWMMC-UHFFFAOYSA-N	311.429	3.528	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(C(F)(F)F)cn1	844260400	JXMGEGLOZAFQKO-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cccnc1NNC(=O)C1(c2ccccc2Cl)CCC1	846001591	DHDDWZSTYROCTJ-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
Cc1ccc(C(=O)NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)o1	853316073	GSTLIMGJAKSMLT-WDEREUQCSA-N	302.296	3.672	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	899361945	ZRYDCZCICZRYIZ-ZTFCMROMSA-N	310.353	3.778	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1oc2ccccc2c1C	915919005	UYZLHWSYWVPAEA-UHFFFAOYSA-N	321.380	3.694	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1ccccc1F	921266395	XYOJAGRZTKMSSS-YRNVUSSQSA-N	301.704	3.975	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc4c(c3)CCC4)nc12	1116132209	XQIWNJAMZWDOHM-YBEGLDIGSA-N	300.365	3.819	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2nc(C)sc2C)cc1	1320067605	DKUQIKLKOTWWLH-NVNXTCNLSA-N	312.394	3.719	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1c(C)cccc1Cl	1324936921	MEYSDHMWLMPOPC-UHFFFAOYSA-N	320.824	3.745	50	20	DHGD	
C=C(CBr)CN1CCc2ccc(Cl)cc2C1	1326786805	IASPTGUQCJRMER-UHFFFAOYSA-N	300.627	3.649	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc2c(c1)CCC2	1329967674	SRSHNZLPMIRQQH-UHFFFAOYSA-N	312.800	3.522	50	20	DHGD	
N#C/C(=C/c1sc(Sc2ccccc2)nc1Cl)C(=O)O	1601046590	WTNZJJAQKZEBRS-VURMDHGXSA-N	322.798	3.939	50	20	DHGD	
C[C@H](NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	1607460369	SYHKPZOMRIEZJA-LURJTMIESA-N	319.251	3.547	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1csc(C(=O)O)c1	1777477154	AHGQVPJYEBFKSU-WMZJFQQLSA-N	303.364	3.606	50	20	DHGD	
CCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	41695749	OIALNFXWTKGKCP-UMEYKSNOSA-N	320.392	3.957	50	20	DHGD	
COc1ccc(Cl)cc1NC(=O)NNc1ccccc1F	91984199	VAXQDJUDRRVHFN-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@@H]1C[C@H]1c1ccc(F)cc1	106924462	XZCUFZQVFVXFNE-JKSUJKDBSA-N	321.355	3.621	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2c(F)cccc2F)c1	118515064	RMTRQOAXYXQVBJ-UHFFFAOYSA-N	320.339	3.757	50	20	DHGD	
CC(C)N(Cc1ccc(C#N)cc1)C[C@@H](C)CBr	133694065	MSQLCHAJPOJZMT-ZDUSSCGKSA-N	309.251	3.800	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2cccc(C#N)c2)cc1	152285097	SYXIDTBPAVFNKX-AWEZNQCLSA-N	307.397	3.758	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccc1C(F)(F)F)c1ccncc1	157979831	JIHXQHPCMRXDMG-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	171536480	HUXGFTOPMGZAKE-RKPNYOAGSA-N	319.320	3.950	50	20	DHGD	
CCCCSCCC(=O)NNc1cccc2cnccc12	178528543	CQGZIIFYSFICDJ-UHFFFAOYSA-N	303.431	3.601	50	20	DHGD	
C[C@H](CC(=O)NNc1ccncc1)c1cccc(C(F)(F)F)c1	180513206	SDDBKEZDHBGEEZ-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
Cc1cc(C)c(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)c(C)c1	194148137	SCIQMCGHSPSLGO-YVLHZVERSA-N	320.392	3.541	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NS(=O)(=O)CCCCCl)c1	228334508	BUBIGOIGGVXFSL-GFCCVEGCSA-N	319.854	3.625	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1ccc(C(F)(F)F)nn1	287514171	ZMKFYQKTGSAUPO-UHFFFAOYSA-N	318.343	3.545	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(Cl)nc1)c1ccccc1	490726979	WOIYMGAEAQNYNV-KMHUVPDISA-N	311.772	3.519	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1scnc1C1CC1)c1ccccc1	491051654	TUSGVTKFJOLQLP-KMHUVPDISA-N	323.421	3.805	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2cc[nH]n2)C1	616620444	KJNZZLFFFBZJSZ-CQSZACIVSA-N	309.530	3.611	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ccccc1C(F)(F)F)C(C)C	727367855	FMZCHIBQEZQIGX-GFCCVEGCSA-N	320.380	3.926	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1csc(-c2csc(C)n2)c1	731936409	WJWAUQWUKTVEKY-UHFFFAOYSA-N	319.455	3.820	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1cccc(C(F)(F)F)n1	740141832	QWCZQWUEYLQGSL-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	741670334	WGMQGXPOEZNUHT-NXEZZACHSA-N	311.769	3.518	50	20	DHGD	
O=C(NN=Cc1cscn1)Nc1ccc(-c2ccccc2)cc1	741765660	JGSXWDKQVVSXSF-UHFFFAOYSA-N	322.393	3.966	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](CC(C)C)c2ccccc2)cc1	746887929	YNLYIHFBQHZHLZ-SFHVURJKSA-N	312.413	3.968	50	20	DHGD	
CC(=NNC(=O)C1CC1)[C@@H](C)Oc1ccc(Cl)cc1Cl	749853834	XIEQCZXKYBLSCQ-SECBINFHSA-N	315.200	3.663	50	20	DHGD	
C[C@H]1CC(NC(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@H](C)C1	752436915	AHDJJLBIFVZMAF-WYMRFSOBSA-N	300.377	3.674	50	20	DHGD	
Cc1cccc([C@@H](C)CNC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	752452157	QCUUWVLSYYNXCV-GZQZNAIASA-N	322.383	3.961	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=CC(C)(C)C)cc1OC	755565263	FPSQIIXIXUZZGB-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
CC(C)CO[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425517	OKRPJYZQQYVHTM-GFCCVEGCSA-N	317.341	3.715	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	761365950	OXDXKHAAPCWMLL-ZDUSSCGKSA-N	321.490	3.693	50	20	DHGD	
C[C@@H](CC(=O)NNc1cnc2ccccc2n1)C1CCCCC1	765995813	HPVSRGMPPSVTFT-ZDUSSCGKSA-N	312.417	3.679	50	20	DHGD	
N#C/C(=C\c1ccc(Oc2cccc(F)c2)cc1)C(=O)NC1CC1	766287673	HAVGQLXMCFXLDE-GXDHUFHOSA-N	322.339	3.804	50	20	DHGD	
C[C@H](CC(=O)N1CC=C(C#N)CC1)c1ccc(C(F)(F)F)cc1	767158253	VFJYPZKFGCTHGL-GFCCVEGCSA-N	322.330	3.881	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1cc(C)cc(C)c1	768311304	MEODHTMKYVTKSV-WBVHZDCISA-N	304.434	3.732	50	20	DHGD	
O=C(NN=CCCCc1ccc(Cl)c(Cl)c1)C(F)F	768782176	ZMWUJMIARZYMSI-UHFFFAOYSA-N	309.143	3.683	50	20	DHGD	
Cc1cc(OC(=O)c2ccc(C(C)C)nc2)ccc1[N+](=O)[O-]	772027289	ZXEVVABLNLWNGQ-UHFFFAOYSA-N	300.314	3.641	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC(C)(C)C2)c(Cl)c1	781689112	JJPXXJAUGUVPAK-NSHDSACASA-N	323.824	3.627	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCC2CCOCC2)cc1	789548557	JPUCPRMDIGPGRF-AQTBWJFISA-N	313.397	3.652	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	795118479	CQETWVPPFCRJPX-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(F)c1SC	797921909	HHHYFSFNSXSVPC-UHFFFAOYSA-N	319.195	3.656	50	20	DHGD	
N#Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)ccc1F	802829854	YWBDXTINBWNYJG-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2cccc(F)n2)cc1	804769666	OVGHGHMGHASONY-ZDUSSCGKSA-N	315.392	3.981	50	20	DHGD	
C=C(C)[C@H]1OCC[C@H]1CNCc1ccc(OCCCCl)cc1	811501418	LDFWOVNWSFOSIZ-FUHWJXTLSA-N	323.864	3.765	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(C)cccc1C(C)C)[C@H]1CCCO1	813116832	MWQRXNXWBYFBDW-JKSUJKDBSA-N	319.449	3.702	50	20	DHGD	
CC1(C)CC(=NNC(=O)COc2ccc(Cl)cc2Cl)C1	814688082	IPZZAPQTHMYXOS-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
CC[C@@H](C=NNC(=O)CCN1CCCCCC1)c1ccccc1	814757894	BMWVXDGXCZWEFE-KRWDZBQOSA-N	315.461	3.548	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C(C)C)cc2O)cc1	817899888	SAYOVJVFKNXFDA-UHFFFAOYSA-N	314.385	3.671	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1cccc2cnccc12	827185956	JYDNBEWPOONHPH-SNVBAGLBSA-N	311.307	3.657	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccccc1OCC(C)C	834437774	AGIVZYNJPAADBD-WJDWOHSUSA-N	321.442	3.801	50	20	DHGD	
CCOCCC1(C(=O)NNc2c(C)cccc2Cl)CCC1	836933748	OMRHHOJSOHVCPH-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1cccc(Cl)c1Cl	838344592	HUBHHIHQEAMXGF-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)C1CC(F)(F)C1	846464878	UGIAZBKMDKHMPO-UHFFFAOYSA-N	316.351	3.766	50	20	DHGD	
Cc1nc(C)c(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	852524680	MZNQKXDUVGJGPK-AWEZNQCLSA-N	310.514	3.888	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccnc(Cl)c3)cc2C1	855469312	AEEBQGMWYRFBOL-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
COc1ccc2oc(CNC[C@@]3(C)C[C@@H]3Br)cc2c1	856810491	YIKQQMLCYOVWTO-LSDHHAIUSA-N	324.218	3.705	50	20	DHGD	
C[C@@]1(CNC2CCC(C(F)(F)F)CC2)C[C@@H]1Br	857066080	WWZIRLDCPQRWGC-TVUZUIDESA-N	314.189	3.871	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2ccc(OC(C)C)cc2)c1	863156115	MFDGVKBGADMIGG-UHFFFAOYSA-N	302.399	3.608	50	20	DHGD	
CC1(C(=O)NNc2ccccc2C(F)(F)F)CC(F)(F)C1	873925325	OTYBPEBCZVNONU-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
C[C@@]1(C(=O)Nc2ccc(Cl)cc2F)C[C@H]1Br	905071458	AKONTQYIJWEUMI-MWLCHTKSSA-N	306.562	3.591	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCO2)c1nc(-c2ccccc2)no1	917519053	IREMYXRAVMHUEQ-LFIBNONCSA-N	315.332	3.736	50	20	DHGD	
C[C@H]1CCC[C@@H](C)N1NC(=O)CCCC[C@H]1CCSS1	920425699	SPIZBXMVTPWJRP-MJBXVCDLSA-N	316.536	3.995	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC2CCCCCCC2)nn1	1251943308	KWCDPPQFPLFWNQ-UHFFFAOYSA-N	319.453	3.513	50	20	DHGD	
O=C(CCl)N1CCCN(Cc2ccccc2)c2ccccc21	1253968210	LKWDSHDHRJEJQQ-UHFFFAOYSA-N	314.816	3.669	50	20	DHGD	
O=C(CCl)NCc1ccc(Oc2ccccc2F)c(F)c1	1319921857	QBOQGYQJIMAFHI-UHFFFAOYSA-N	311.715	3.612	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H]2CCCC[C@H]2C1	1320339525	YQQXWFHAEHYWEU-DWXXHQTDSA-N	312.388	3.771	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnn(CC2CCC2)c1	1334364604	IVPWGEIHKIZGKF-RQZCQDPDSA-N	305.381	3.782	50	20	DHGD	
Cc1nn(-c2ccccc2)cc1NC(=O)C1CCC(Cl)CC1	1521308753	PIEYRGXWNWJASF-UHFFFAOYSA-N	317.820	3.917	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C(=O)O)cc1F)C1CCCCC1	1589574962	QGMJNTVSYVPNOM-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045845	NXQDTFNKJSKINP-OCCSQVGLSA-N	317.389	3.709	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2cc(F)ccc2o1	117985198	CKHDIOXEAYLDRE-UHFFFAOYSA-N	324.233	3.746	50	20	DHGD	
Cc1ccc(NNC(=O)CCC(=O)c2cc(C)ccc2C)cc1	124106789	WJNMFJYAUABJFD-UHFFFAOYSA-N	310.397	3.718	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccccc1OC1CCC1	153202405	OKRSTTBRPIOUQN-UHFFFAOYSA-N	300.333	3.514	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccccc2Br)c1C	153490650	CBVDYUQLETYWEM-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)C1(c2cccs2)CCCCC1	154706491	BAOXPOJFKHBMNC-UHFFFAOYSA-N	324.446	3.506	50	20	DHGD	
C[C@H]1Cc2cc(-c3ccc(CNC=C(C#N)C#N)cc3)ccc2O1	154807705	VOGWXDQEHOOVBP-AWEZNQCLSA-N	315.376	3.698	50	20	DHGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)NCCc1ccccc1	192538684	FDAVFKWWGMIGFL-LGMDPLHJSA-N	316.360	3.699	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1c1cccs1	284140765	ILTPIHFXGYFZLT-SNVBAGLBSA-N	302.490	3.606	50	20	DHGD	
N#C/C(=C/c1cccs1)C(=O)NCc1cccc(Cl)c1	490663234	HXBVRXFLRVCELE-WQLSENKSSA-N	302.786	3.625	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1scnc1C)c1ccccc1	490696127	NYJIWYVXDPSQSW-AAWPKVBNSA-N	311.410	3.626	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccnc(N(C)C)c1	731561702	SKGVRFOHYZOTPC-BDSBSODXSA-N	314.433	3.556	50	20	DHGD	
CC(C)OCc1ccc(C(=O)NNc2c(F)cccc2F)cc1	735697809	ITOJYCOGNQXACG-UHFFFAOYSA-N	320.339	3.647	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cnc3ccsc3c2)c(C)c1	743762347	RHVPOHUQOLUSQA-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
CCSCC[C@H](C)NC(=O)NNc1c(C)cc(C)cc1C	745923001	MKANNIRUXFQSGB-AWEZNQCLSA-N	309.479	3.770	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1F)[C@H](C)c1ccccc1	746365999	FSVOXRGBGPEHNB-ZDUSSCGKSA-N	313.376	3.533	50	20	DHGD	
CC(=NNC(=O)CSc1nc2ccccc2s1)C1CCC1	747627980	PCFPQQHASRLQQW-UHFFFAOYSA-N	319.455	3.681	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(Cl)cc1Cl)N(CC)CC	748017641	HZRJHPLCJBZJCT-ZDUSSCGKSA-N	318.248	3.557	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1cccc2cnccc12	748770241	ZXZJXJRXVMLQQQ-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
CCOc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1	749817275	GMMZUPBSJJTZGD-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
Cc1ccc(-c2cccc(C=NNC(=O)c3ccccn3)c2)cc1	757562287	YQECSPVYPGUKQA-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1F)c1ccccc1F	758069441	WQFBOOMKYROHLW-MTSIVMMLSA-N	304.271	3.533	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(N)cc1C	758117647	MAHMBOXJPZQQQX-UHFFFAOYSA-N	319.767	3.524	50	20	DHGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)c2ccncn2)ccc1OC	758910191	FAKIYIQBAHFNNW-GULXKOIASA-N	309.369	3.727	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccc[nH]2)c(Cl)c1	763359730	SMNYGYLWRFUGCT-UHFFFAOYSA-N	307.806	3.544	50	20	DHGD	
CC(Cc1ccncc1)=NNC(=O)Cc1cccc2ccccc12	767767155	FOITYIIKNJUERN-UHFFFAOYSA-N	317.392	3.512	50	20	DHGD	
CC[C@@H](C(=O)OC[C@H](C)CBr)c1ccc(F)cc1	770420199	XOMOOEWVFJJRQO-ZWNOBZJWSA-N	317.198	3.894	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1C	777899134	XPWDULXBQXELBH-LLVKDONJSA-N	317.345	3.598	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H]1CCCOC1	779995579	WMNHIYDKWFZDCM-MELADBBJSA-N	317.520	3.632	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccccc1C(=O)OC	780728199	AKPCKPFEMNSYNT-UHFFFAOYSA-N	306.406	3.523	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](c2ccccc2)C1	781083280	XMRFINKTEUVIIH-UONOGXRCSA-N	324.262	3.812	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1	786106710	PUGRZCMGFOKORW-ONRVGMAUSA-N	320.392	3.935	50	20	DHGD	
Cc1ncc(C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791727067	KYVYZPBRYLGMOT-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@H]1Cc2ccc(F)cc21	793711064	BEIASGBXVCNUPZ-AWEZNQCLSA-N	324.277	3.628	50	20	DHGD	
O=C(CCc1ccccc1O)NN=CCC1CCCCCC1	799111790	IYEYRDOCBUPRJR-UHFFFAOYSA-N	302.418	3.787	50	20	DHGD	
O=C(NN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2)c1ccccc1	807943606	NRTMEWYZBQARNS-KDURUIRLSA-N	318.420	3.988	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCO[C@@H](c2ccco2)C1	808731917	HGPXDOUFOCGTGV-OAHLLOKOSA-N	311.498	3.675	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1nc2ccccc2cc1Cl	810022063	YIILNBQWUQNUNU-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CC[C@H]1C1CC1	814747637	CHPYDYDNCDFTDB-ACJLOTCBSA-N	322.408	3.899	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccccc1C#N	814862063	BZFCZANZZFUXSI-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc(Cl)cc(Cl)c1	817007862	SUTGTLBDQIDXJO-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2c(C)cccc2Cl)C1	836937572	YWHKYQZKCJKTKA-CHWSQXEVSA-N	310.825	3.687	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)Oc2ccc(C#N)cc2)cc1	837057548	DIZZGJXFWGEFDR-CQSZACIVSA-N	323.396	3.592	50	20	DHGD	
Cc1nc(CNC(=O)NNc2ccc(C(C)C)cc2)sc1C	838502105	OMRLIRLRGMRLAP-UHFFFAOYSA-N	318.446	3.710	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCCCC1(F)F	855619816	DCZSZTQEBPGMPE-LLVKDONJSA-N	306.715	3.748	50	20	DHGD	
CCCCn1cc(C(=O)NNc2cccc(F)c2Cl)c(C)n1	862507047	SNDVKAFURQMNES-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)C2CC2)c1C	875158172	VRKUMIHUWHJGQP-XWAFYUISSA-N	313.445	3.679	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cccc(OCC)c1	915987114	SNHOHHDIPXXICO-FOWTUZBSSA-N	300.402	3.689	50	20	DHGD	
COc1ccccc1CN(C)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	916146219	LERIJUIPZAQXJR-YVLHZVERSA-N	323.352	3.600	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H](c1cccs1)C1CC1	916232889	NPLYMVORGVLPRJ-CQSZACIVSA-N	305.378	3.665	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1cccc(C(F)(F)F)c1	916270023	NRXPLYYACSGHAI-UHFFFAOYSA-N	322.286	3.565	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)Cc1csc(C)n1	916317690	SITIWKIOVXRWAX-CYBMUJFWSA-N	307.463	3.869	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)cc1	916650486	SKKSPRLQDYPUAN-SXGWCWSVSA-N	310.784	3.872	50	20	DHGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1ccc(O)cc1	917531249	FABYEDRSMAGTLW-UHFFFAOYSA-N	316.360	3.823	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(OCC#N)c1	917622884	YXCBTXLMUITIQP-NTEUORMPSA-N	308.362	3.749	50	20	DHGD	
CC(C)Cc1ncc(C(=O)NNc2cccc(Cl)c2)s1	929772637	QTNZBJVDXVIMHB-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cnn(C2CCCCC2)c1	1116028895	YEEYBNDMJVSIOV-UHFFFAOYSA-N	318.808	3.799	50	20	DHGD	
O=C(N[C@H]1CCOC12CCCCC2)c1cccc(CCl)c1	1120703836	GPJDBMASYPKLKH-HNNXBMFYSA-N	307.821	3.647	50	20	DHGD	
CCCCCCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1323002043	RZEFCLCGMXWSJY-UHFFFAOYSA-N	306.454	3.968	50	20	DHGD	
CCCN(N=Cc1cc(C(=O)O)c(CC)o1)C(=O)OC(C)(C)C	1595894763	VFTPUFMSODNUSF-UHFFFAOYSA-N	324.377	3.521	50	20	DHGD	
COCc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	72703049	BNWJOJWDVDWVQA-UHFFFAOYSA-N	324.302	3.609	50	20	DHGD	
COc1ccc2cc(/C=C(\C#N)C(=O)NCC(C)C)ccc2c1	73116981	UTQZQMIXNZXMCY-RQZCQDPDSA-N	308.381	3.528	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C(C)C)c(SC)cc1OC	78052789	FBMFGJQQZHSLQO-SDQBBNPISA-N	305.399	3.558	50	20	DHGD	
COc1ccccc1C[C@@H](C)N(C)C[C@@H](C)CBr	88202963	ADRAAKWQRCGDAE-QWHCGFSZSA-N	314.267	3.589	50	20	DHGD	
CC[C@@H](C)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	96478213	KYIBCHUSGVGYMA-CYBMUJFWSA-N	317.882	3.525	50	20	DHGD	
COc1cc(C(=O)NNc2ccc(C)cc2)ccc1OC(C)C	120445666	OYZSDASPTPQVLE-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1C	125897565	GYKDAPBPOURAAX-UHFFFAOYSA-N	323.736	3.523	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1c(F)cccc1F	128838088	OAKBLFQEVBTYRN-JXMROGBWSA-N	315.323	3.877	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1ncc(Cl)cc1Cl	132607282	YYVZGMQNDYLEDJ-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2(c3cccc(F)c3)CCC2)c1	150788802	XTIWRFPTTRMKPN-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(F)c2)cc(C)c1OC(F)F	154401685	DUSDSWIUEXZACS-UHFFFAOYSA-N	324.302	3.801	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1nccc2ccccc12	178497368	BCBSYJBMRXKVJV-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccccc2)s1	193895265	NMSCHUBCLOTLFP-MDWZMJQESA-N	302.362	3.582	50	20	DHGD	
CC(C)(C)[C@H]1CCCC[C@@H]1NS(=O)(=O)CCCCCl	228328800	IKQALHNWDPVSBI-STQMWFEESA-N	309.903	3.530	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(O)cc1	254764065	IHSVTFAYWNASOU-UHFFFAOYSA-N	310.397	3.844	50	20	DHGD	
Cc1ccc(C)c(OCCCCC(=O)N2CC=C(C#N)CC2)c1	271121663	OCJPCMUGRKXNHR-UHFFFAOYSA-N	312.413	3.535	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc2c(O)nccc2c1	285730556	OWYAPNKQYIJBGM-CYBMUJFWSA-N	315.417	3.990	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1cnn(-c2ccc(F)cc2)c1	728175893	JASYPCASRZDCLM-RIYZIHGNSA-N	311.360	3.924	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	743299320	LMIDBDJWHAVNJH-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCSc2ccccc21	743336017	BVERQGRQKPNWPP-GFCCVEGCSA-N	320.364	3.688	50	20	DHGD	
CC(C)CC[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746742411	LZQQWMZIAJIJBN-VIFPVBQESA-N	303.328	3.555	50	20	DHGD	
O=C(Cc1coc2cc(F)ccc12)NNc1c(F)cccc1F	748322407	RYSHDYZMPBLLCX-UHFFFAOYSA-N	320.270	3.536	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	764411952	BATYTZWOQKPVPD-CSKARUKUSA-N	318.785	3.956	50	20	DHGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@@H](Br)C(C)(C)C	767326194	HCPZODWJCJMCOU-ZIAGYGMSSA-N	324.262	3.908	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1ccc2ccccc2c1	770322118	BPGSPWDTRMMJSD-LBPRGKRZSA-N	321.214	3.957	50	20	DHGD	
N#CC1=CCN(Cc2ccc(Br)c(Cl)c2)CC1	787274847	LQYNCYZQFUDRKO-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cn1	788328800	QNWLFZRJHAOGNU-AUWJEWJLSA-N	307.378	3.908	50	20	DHGD	
Cc1cc(C(=O)NN=C[C@@]2(C)CCCS2)c2ccccc2n1	792889960	LLHVAWGTTYXEKL-QGZVFWFLSA-N	313.426	3.545	50	20	DHGD	
C=C(CBr)COC(=O)/C=C/c1ccc(Cl)s1	795374290	SBLRTWFNGBKMNL-HWKANZROSA-N	321.623	3.909	50	20	DHGD	
C=C(CBr)COC(=O)c1sccc1SC	795506595	XEDVTPBRWFWTBL-UHFFFAOYSA-N	307.234	3.578	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)o1	797405755	HAKYEEAMXFWCDG-JXMROGBWSA-N	316.382	3.884	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)Cc1cccs1	799543706	TYUWSAPUYYIDGU-ZDUSSCGKSA-N	317.458	3.876	50	20	DHGD	
N#CCCCCCC(=O)NNc1ccnc2cc(Cl)ccc12	806357622	JHPJMOBVTWTDAJ-UHFFFAOYSA-N	316.792	3.805	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1C#N	809146042	LBVJABACCDOGLE-VCHYOVAHSA-N	316.360	3.974	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]c2ncccc12	812766011	DAKNDCKQFDVUIZ-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
CC[C@H](C=NNC(=O)CCOc1ccccc1)c1ccccc1	814823778	WCIBTBRUEJBCGO-MRXNPFEDSA-N	310.397	3.751	50	20	DHGD	
Cc1cccnc1NNC(=O)c1sc2ccc(C#N)cc2c1C	816467761	LVEVUNFXGFNRLG-UHFFFAOYSA-N	322.393	3.542	50	20	DHGD	
CC(C)(C)Cc1ccccc1C(=O)NNc1ncc(F)cc1F	822243843	ULJAESDDTVRAGP-UHFFFAOYSA-N	319.355	3.705	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ccc(Cl)cn1	825660824	AUBVCGCXZAHFBB-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)cc1	837059521	VFNZQICCZRRGGT-CZUORRHYSA-N	316.445	3.895	50	20	DHGD	
CC(C)c1ccc([C@H](C)OC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	837972645	WBCVALORXGPJNY-WXARJGPPSA-N	323.396	3.755	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]1C1CCC1	845872362	HNNMQAPSNFFRMB-WDEREUQCSA-N	316.298	3.724	50	20	DHGD	
O=C(C=C1CCC1)NNc1ccc(Cl)c(C(F)(F)F)c1	846379490	WMLNQYJBZLYKHK-UHFFFAOYSA-N	304.699	3.912	50	20	DHGD	
C[C@@H]1C[C@@H](C(=O)NNc2ccccc2Cc2ccccc2)CCO1	846464062	KTAYHEYSLBEPTH-QAPCUYQASA-N	324.424	3.536	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCC[C@@H]1c1ccccc1	848083673	KDTYPDSPTMZILU-OLZOCXBDSA-N	300.229	3.832	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	855468699	HFDCURMVLJEZGS-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
Cc1cc(C)c([C@H](C)NC[C@@]2(C)C[C@H]2Br)c(O)c1	857082870	REAOQYMIMWXPTN-NJZAAPMLSA-N	312.251	3.833	50	20	DHGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccnc1	869461278	CZQONHDFKOGXTK-HTTKSJEASA-N	324.218	3.640	50	20	DHGD	
CCN1CC(=O)N[C@H]1c1cccc(S(F)(F)(F)(F)F)c1	905029486	QQRBNAXCJNZERB-LLVKDONJSA-N	316.295	3.794	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)cc(C)c2)c1	921261117	AWAFAOUQTFJFQU-MHWRWJLKSA-N	306.365	3.858	50	20	DHGD	
COC(=O)Nc1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1346295409	XRQXNFGAZZKEDV-UHFFFAOYSA-N	310.781	3.601	50	20	DHGD	
O=C(N[C@H](c1ccccc1)[C@@H]1CCCO1)C1CCC(Cl)CC1	1346389068	FWBVNVSYMQRSQB-SJJHQCBESA-N	321.848	3.821	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H](C)c1ncccc1C	1347083518	ZNQNAFPGJLZDHQ-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNc1ccccc1C(=O)O	1605211292	JNHGKWMXGKOMLK-CQSZACIVSA-N	318.417	3.825	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@@H](C)CC(C)C	1776047186	ZDLSLGWEVGNNQK-NSHDSACASA-N	305.378	3.564	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1F	7164476	VZHISHPEERNWGM-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
Cc1nc2ccccc2c(C)c1CC(=O)NN(C)c1ccccc1	10737488	HSSBKDYAMPFQMV-UHFFFAOYSA-N	319.408	3.562	50	20	DHGD	
CC(C)CC[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	36324901	JGJJCJHWHZGQKH-ZDUSSCGKSA-N	317.882	3.571	50	20	DHGD	
Cc1cccc(NNC(=O)CCC(=O)c2cc(C)ccc2C)c1	78582506	DJAOOYCACSSICQ-UHFFFAOYSA-N	310.397	3.718	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1SCCc2sccc21	79440803	KRDXHHKVDXBXFG-ZDUSSCGKSA-N	324.858	3.875	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Br)cc2F)cc1	102706400	VQAVZZZBUALAAP-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C(F)(F)F)cc2)ccn1	120466434	QNEHUMMQNMOXGU-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCCC2)ccc1OCC#N	128929543	GFIQXMQKEIIWPC-WJDWOHSUSA-N	324.380	3.654	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H]1CCCO1	132886122	YHJHKXXXQJCJKI-RDBSUJKOSA-N	317.520	3.774	50	20	DHGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1c(F)cccc1F	133528449	HMPNGZFARAZZBZ-LLVKDONJSA-N	312.360	3.536	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccnc(Cl)c1F	163812399	PZLSACWBYJPKBD-UHFFFAOYSA-N	319.767	3.510	50	20	DHGD	
CC(C)(C)C[C@H](O)CNC(=O)CCCC[C@H]1CCSS1	172308066	AYPQJRBDAPOAAH-STQMWFEESA-N	319.536	3.614	50	20	DHGD	
CC(C)c1nn(C)c2sc(C(=O)NNc3ccccc3)cc12	175176875	CXORVRAEMYNLBF-UHFFFAOYSA-N	314.414	3.515	50	20	DHGD	
Cc1cscc1C(=O)NNc1ccccc1C(F)(F)F	175230639	HTHGJBHEEORLFM-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(OCCC(C)C)cc1	191762353	OEHHHTAHXJANKE-ATVHPVEESA-N	321.442	3.801	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccc(F)c1F)c1ccccc1	209921344	WCXXEZORBZYORB-JXCQQFQQSA-N	312.319	3.749	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc2c(O)nccc2c1	285609592	GJVXFWHYUAFVJO-KRWDZBQOSA-N	301.390	3.600	50	20	DHGD	
FC(F)(F)c1cccc([C@@H]2CO[C@H](CBr)C2)c1	536958020	SUHXXDHXFTXXMC-ONGXEEELSA-N	309.125	3.973	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(CC1CC1)C1CCCCC1	588515876	RDMAZHPWKAXDTF-ATVHPVEESA-N	324.424	3.870	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)COc1ccc(Cl)cc1	729633611	PMWDPZRJJZXXAT-UHFFFAOYSA-N	322.817	3.515	50	20	DHGD	
CC(CCc1ccccc1F)=NNC(=O)Cc1ccc(F)cc1	734093018	MKAHIFMWMVPCKQ-UHFFFAOYSA-N	316.351	3.632	50	20	DHGD	
N#C/C(=C\c1nccc2ccccc12)c1nnc2n1CCCCC2	740764463	WEXVEFRXNHRYIL-NTCAYCPXSA-N	315.380	3.617	50	20	DHGD	
CCc1ccc(OCC(=O)NNc2c(C)cc(C)cc2C)cc1	743765493	SNZVZWJAJPGWFC-UHFFFAOYSA-N	312.413	3.696	50	20	DHGD	
Cc1cc(NNC(=O)Nc2ccc(-c3ccccc3)cc2)ncn1	743807980	MKLWTEFQXIJFIJ-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1	745801482	DXFBZGNGEYWPID-NWDGAFQWSA-N	310.829	3.576	50	20	DHGD	
CC[C@H](SC)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	746939192	SUYJIDURNBOSED-AWEZNQCLSA-N	305.355	3.795	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1F)c1ccccc1F	758069453	WQFBOOMKYROHLW-PQXRUWMISA-N	304.271	3.533	50	20	DHGD	
O=C(NN=CC[C@@H]1CCOC1)c1cc2c(s1)CCCCCC2	765562052	GCDLUYIAFIXHBE-CYBMUJFWSA-N	320.458	3.549	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(F)c(F)c1	766746608	HVAZYPZHDUBILF-NSHDSACASA-N	321.161	3.818	50	20	DHGD	
CCCN(CC(F)(F)F)C(=O)[C@H](Br)C(C)(C)C	767918662	VPZBLKVKAILXLP-QMMMGPOBSA-N	318.177	3.597	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1nc2ccccc2[nH]1	768497072	UQWDYTFLCUVAEO-OAHLLOKOSA-N	322.412	3.521	50	20	DHGD	
C[C@H](CBr)COC(=O)c1sccc1C1CC1	770360675	UBEFXJJABXUFAH-MRVPVSSYSA-N	303.221	3.813	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1cccc(Cl)c1	771690504	BIFVTCSQIZIVAW-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
C=C(CBr)CN(C)CCCc1ccc(OC)cc1	791445166	NBLMKJSRHIOAKF-UHFFFAOYSA-N	312.251	3.511	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(O)cs1	792516996	SJGCERIIVYAIKX-UHFFFAOYSA-N	303.170	3.517	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)[C@@H]3CCCOC3)co2)cc1	794955027	YJFLLZKDDVHTIK-AVIKPIRVSA-N	322.364	3.553	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	803394063	KMOCVEOZTPIFEI-UHFFFAOYSA-N	321.764	3.523	50	20	DHGD	
CC1(C)CN(CCI)[C@@H]1c1cccs1	805839866	ULDWNCCZPBWPTG-SNVBAGLBSA-N	321.227	3.566	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cccc(F)c2C#N)ccc1[N+](=O)[O-]	811692571	BFJIVDDJVUZVRP-QPEQYQDCSA-N	323.283	3.678	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C1CC(c2ccc(Br)cc2)C1	814809969	UBMHGBPUHRPWIO-RWANSRKNSA-N	323.234	3.845	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)[C@@H]1CC2CCC1CC2	815851787	UKCHDWKFPMBVMM-QIMFLAQGSA-N	323.234	3.719	50	20	DHGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1cccc(Cl)n1	817006457	KOYIZNJQYPFFGZ-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
COCC1CCC(=NNC(=O)c2ccc3ccccc3c2)CC1	834942147	LZVAEPWVNOIAFH-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC2CCSCC2)cc1	838473403	ZVHMHNUAFWXEEJ-UHFFFAOYSA-N	307.463	3.579	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CCC(=C2CCC2)CC1	853304135	AZJFNSUMYGLCLN-UHFFFAOYSA-N	312.413	3.852	50	20	DHGD	
CC(C)(CCC(=O)NNc1ccnc(Cl)c1)c1ccccc1	855466066	ZQUJCFRVQFQARW-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	855468700	HFDCURMVLJEZGS-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
CCCSCC(=O)NNc1nc2ccc(Cl)cc2s1	856234149	OFJKGVKRSIFQBV-UHFFFAOYSA-N	315.851	3.536	50	20	DHGD	
C[C@@]1(CNC(=O)c2csc3ccccc23)C[C@H]1Br	857400741	CKPXOIDBVSZEJM-OCCSQVGLSA-N	324.243	3.805	50	20	DHGD	
CC(C)c1ccc(/C=C/CC(=O)NN[C@@H](C)C(F)(F)F)cc1	862315953	IBNQPVMCTMLXFI-ITKZLYELSA-N	314.351	3.785	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(C)cc1C	915917704	IHCZVSXVOVGULN-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
O=C(NCC1CC1)NNc1c(Cl)cc(Cl)cc1Cl	916249372	HJDCZCKCADHGAF-UHFFFAOYSA-N	308.596	3.683	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)ccc1C	1320993987	KSYZTOCPYFZPMC-ZROIWOOFSA-N	316.364	3.593	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2c(Cl)cccc2Cl)[nH]1	1323948398	YDGMFXDBCICHAJ-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
CC[C@H]1CSC(=Nc2ccc(Cl)cc2)N1C(=O)CCl	1336911037	IJPOZFGRCJOMDM-NSHDSACASA-N	317.241	3.920	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)c(C(=O)O)c3)[nH]c12	1777448324	VVYSYPUWLJMCJH-GHXNOFRVSA-N	321.311	3.773	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(C#N)c1	14176223	RZSOVSLKUCCNMP-LFIBNONCSA-N	317.348	3.503	50	20	DHGD	
Cc1cc(OCc2cccc(F)c2)ccc1NC(=O)CCl	32208430	SKQSZAJBANKMGG-UHFFFAOYSA-N	307.752	3.890	50	20	DHGD	
CCCCCCC(=O)NNC(=O)Cc1cccc2ccccc12	78538425	BPZMADREFBDTTN-UHFFFAOYSA-N	312.413	3.500	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1ccnc2ccccc12	106925242	HDXGQDLXIJALEG-UHFFFAOYSA-N	321.380	3.537	50	20	DHGD	
O=C(Cc1ccoc1)NN(Cc1ccccc1)c1ccccc1	120227160	UERKAXNUMZUIQT-UHFFFAOYSA-N	306.365	3.560	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2cc(C)ccc2C)cc1	127609820	NNUBCHLDPZOVNB-UHFFFAOYSA-N	310.397	3.718	50	20	DHGD	
CC(C)(CO)CCCNC(=O)CCCC[C@H]1CCSS1	130397774	ZMHRRJGGIVEOOE-ZDUSSCGKSA-N	319.536	3.615	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)c(F)c1	133176427	BPFXWPRRSZPDIJ-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CCCc2sccc21	137184073	BXGVPCQGBVFOLH-CYBMUJFWSA-N	306.818	3.965	50	20	DHGD	
N#C/C(=C/c1cccc(OC(F)F)c1)C(=O)Nc1ccccc1	139464250	NLLSXNAJUDFLPP-LCYFTJDESA-N	314.291	3.834	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1	154246452	UEBVSRISDZLLNM-SDQBBNPISA-N	315.735	3.728	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ccncc2Cl)s1	154893923	DJHHCCSTBBJANG-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CCCC(CCC)C(=O)NNc1cccc(C(F)(F)F)n1	156920661	MVMFRJQSRXDSGK-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	161063617	MGIPZKWAHBXYQA-GHMZBOCLSA-N	318.314	3.946	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ncccc3Cl)cc2c1C	173603377	IHEVCVIJSYBTET-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CC[C@H](C)[C@@H](C)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	188423697	KRHRBGLRIILPQW-FWUQKTEZSA-N	312.413	3.725	50	20	DHGD	
O=C(CCc1ccccc1)NNc1ccccc1OC(F)(F)F	190199329	XATBEOZWFVJSNV-UHFFFAOYSA-N	324.302	3.661	50	20	DHGD	
N#C/C(=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O	211152221	SYWLPMVLUPDBNV-XFSBKJJWSA-N	309.165	3.716	50	20	DHGD	
N[C@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	237966657	WKKZTHPJCUWJBQ-HUUCEWRRSA-N	324.515	3.517	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)OCC	270253433	RVRBESWMAQWYRF-ZDUSSCGKSA-N	316.323	3.520	50	20	DHGD	
Cc1ncc(-c2ccccc2)cc1NC(=O)NNc1ccccn1	378500612	WWVFJRIDXYLJTM-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc(OC)cc2)o1	490692682	HMYWSBQKOXHZMZ-WDGDVPDHSA-N	324.380	3.635	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CNC(=O)NNc1cc(F)c(F)cc1F	734663891	NWWUJBBDEYRQCJ-ZJUUUORDSA-N	315.339	3.556	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)[C@@H](C)Oc2ccccc2F)C1	734977999	PMIWLZNSTZAKOY-CHWSQXEVSA-N	306.381	3.665	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)C2CCCC2)cc1	737500491	HKGRVIRMLLCKTK-AWEZNQCLSA-N	316.445	3.641	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(F)c2)cc1-n1cccc1	748099093	USPISLFYAYJKJU-UHFFFAOYSA-N	309.344	3.682	50	20	DHGD	
CCc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	752425562	ILEGAKCRTNEWGM-QGOAFFKASA-N	322.383	3.654	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	752475438	JROZEVSANCHYSA-BHEVBHTLSA-N	312.388	3.818	50	20	DHGD	
CC[C@H](C)C=NNC(=O)NCc1cccc(C(F)(F)F)c1	755673781	PSYAJLKBMCNZNS-JTQLQIEISA-N	301.312	3.537	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccc(Br)cc1	761996615	KROWXFYNSJMTQW-SNVBAGLBSA-N	313.239	3.965	50	20	DHGD	
Cc1ccc(CC(=O)OC[C@H](C)CBr)c(Cl)c1	770405987	PMRSERDQNGTPPZ-SNVBAGLBSA-N	319.626	3.765	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3cccc(C#N)c3)c2cc1C	771421602	APVXZCOLRCTHPC-UHFFFAOYSA-N	305.337	3.678	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc(Cl)nc2Cl)ncn1	773175389	DPFFSASQUKGFMI-RUDMXATFSA-N	323.208	3.964	50	20	DHGD	
Cc1ccc(F)cc1NC(=O)NNc1ccc2ccccc2n1	775427687	HEUOMUBGCSAVAX-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	782019887	WHTBMYYIJHCNHA-SECBINFHSA-N	311.769	3.518	50	20	DHGD	
COC1CCC(=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1	783811419	SZBZMCBJYPSQDH-ZSOXZCCMSA-N	320.458	3.548	50	20	DHGD	
C=C(CBr)CN1CC[C@@H](Cc2ccccc2)[C@@H]1C	791472894	IKBVQAGYNSBGHA-HOCLYGCPSA-N	308.263	3.891	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1	794872908	ALJKUHZEGVYNEH-WDZFZDKYSA-N	307.777	3.966	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1F	799890363	JCPAZHZECFHUAZ-UVTDQMKNSA-N	321.311	3.948	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1ncccc1F	804218075	OBPGJRXCSFLZLN-OLZOCXBDSA-N	313.376	3.653	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805383683	KXZRZGYXUNATGS-JSGCOSHPSA-N	305.378	3.563	50	20	DHGD	
O=C(CSc1nc2ccccc2s1)NN=CCCC1CC1	807950948	ZUHIYSZZAXGZGU-UHFFFAOYSA-N	319.455	3.681	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1c[nH]c2ncccc12	812766412	GQLVBTQPDISESV-UHFFFAOYSA-N	322.412	3.681	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc2c[nH]nc2c1	812767959	YGUQJGNQXVAHRD-UHFFFAOYSA-N	322.412	3.681	50	20	DHGD	
COC[C@H](C)[C@@H](C)C(=O)NN(c1ccccc1)c1ccccc1	812823881	MGTYFXFYYIBHGI-JKSUJKDBSA-N	312.413	3.775	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCc2ccc(N)cc21)c1ccccc1	814845735	UEKYWEFAHNWHDS-QGZVFWFLSA-N	321.424	3.619	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)c2ccc(O)c(Cl)c2)c1	814849222	MVKDIYKGMIMQHY-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(-c2ccccc2F)s1	814990015	XUOKJRQTJSRKSI-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCC(Cl)Cl	816604827	YFMVKUUBWPATAJ-SSDOTTSWSA-N	312.649	3.741	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1ccc(C#N)cc1	819411991	SDHLBYCBYPZZQT-MRXNPFEDSA-N	307.397	3.579	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)o1	837375597	CKTCHBZVSRDXIL-GTNSWQLSSA-N	318.421	3.575	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)s1)[C@@H]1C[C@@H]1C	841612492	KVSKXBBJLPZXLM-JGVFFNPUSA-N	315.236	3.662	50	20	DHGD	
C=CCN(C(=O)CCCC[C@@H]1CCSS1)[C@@H](C)COC	855370823	JHWNUKDBEZVRRJ-UONOGXRCSA-N	317.520	3.750	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	855468701	HFDCURMVLJEZGS-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
C[C@H](C(=O)OC[C@H](CBr)C1CC1)c1cccs1	859562830	MTSQBEFKJYWDOB-ONGXEEELSA-N	317.248	3.816	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	861914694	JOVBBIFTTMOKSC-CWRNSKLLSA-N	312.800	3.677	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1	861927916	UISZXNPRZNCVNN-GBESFXJTSA-N	306.409	3.839	50	20	DHGD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@]1(C)C[C@@H]1Br	906936529	GSOFDBBZMPOWDR-OEYIWLLWSA-N	322.246	3.565	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@@H](C)C2)cc1	914482933	HBGLKJYPRQWHLN-XPXRORMKSA-N	312.413	3.687	50	20	DHGD	
CCOc1ccccc1C(C)=NNC(=O)c1cccc(Cl)c1	916278084	FXNFLBYRISFKCY-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
Cc1ccsc1C=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	916336651	LICOZWOXWJCSRX-CQSZACIVSA-N	316.426	3.591	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccc(C)s1	917027374	HZENJIPGXKLBLW-LBPRGKRZSA-N	320.389	3.503	50	20	DHGD	
Cc1nc(CC(=O)NN=C(CC(C)C)c2cccs2)cs1	917538255	KRRKPORWZYGXLQ-UHFFFAOYSA-N	321.471	3.622	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1Cc2ccc(O)cc2C2(CC2)C1	1326022448	DJCYBWMNXGDTGG-UFWORHAWSA-N	302.377	3.804	50	20	DHGD	
Fc1cccc(C2(NC[C@@H](CBr)C3CC3)CC2)c1	1329221464	AQFSBNDALWZKNP-GFCCVEGCSA-N	312.226	3.826	50	20	DHGD	
CC1(N2CCC2)CCC(NC(=O)c2cccc(CCl)c2)CC1	1336097411	YXQCNKIVJZHBHQ-UHFFFAOYSA-N	320.864	3.562	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC(C(C)(C)C)CC2)n1	7906208	UJYQDWKFJVCMFQ-UHFFFAOYSA-N	307.463	3.703	50	20	DHGD	
Cc1cc(C)cc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	20190850	DXWWXJGWRAKLDT-UHFFFAOYSA-N	323.845	3.886	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)C)c(C)n1CCC(C)C	24220622	AHMIGEJTIIPAFB-LICLKQGHSA-N	301.434	3.583	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNc1ccc(F)cc1F	66326186	HIPCCQDSKGRAPM-UHFFFAOYSA-N	312.319	3.804	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cc(Cl)cc(Cl)c1	85661207	YFTRBMVGNMSNEG-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1ccc(C)n1-c1sccc1C(=O)NNc1ccccc1	98136958	LLLHTUAUTYTCLS-UHFFFAOYSA-N	311.410	3.913	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccc(F)cc3F)[nH]c2c1	104131072	BBUUHNPJMLRIFT-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1	112224921	JWNHCHFGNIAMQA-ZROIWOOFSA-N	322.330	3.709	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CSc2ccccc21	120246866	TYOZTTXIGAIDMI-INIZCTEOSA-N	324.449	3.898	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(Cl)cc1	120404023	WWYJMFAPCKUTTR-OLZOCXBDSA-N	306.818	3.957	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1cc(C)ccc1F	150835514	RHOIMYAIUNRNJE-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2ccc(Cl)cc2Cl)O1	151951247	IBWGVEVCYFLRCJ-ONGXEEELSA-N	317.216	3.784	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccncc1Cl	154823788	LDXBAASIULGSPQ-AWEZNQCLSA-N	321.833	3.749	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CCc2ccccc2Cl)c1	155713186	FUNRIMZQRFJFJC-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCc1cccs1	156229888	CWKHRRAJFLCCSL-UHFFFAOYSA-N	321.354	3.593	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@@H](c2cccc(F)c2)C1	175424732	WRQLILOFPQDDIU-MMWCCMKASA-N	308.356	3.764	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(F)cc1Cl	192098882	AMLUXJXFFRHPBM-KPKJPENVSA-N	301.770	3.558	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@H](C)O1	247499189	HXTQOWKZJVVACC-MJBXVCDLSA-N	317.520	3.726	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccc(OC)c1)c1ccccc1	255075794	ORGMUFLEKYDTLY-GTVARFKMSA-N	320.392	3.870	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](CC)c1ccncc1	282242067	FTMOFCKRJVXVKP-INIZCTEOSA-N	312.417	3.730	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(-c2ccc(C)cc2)c1	588555531	NWCJHPSKHUPTLG-PDGQHHTCSA-N	311.406	3.961	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](c2ccccn2)C1	616612143	NCTUVUVXATWQEO-HNNXBMFYSA-N	306.526	3.893	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@@H](C)CC)c1C	731998277	SGSYESQJYYCXMH-DZBQEORWSA-N	315.461	3.926	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C(CC2CC2)c2ccccc2)cc1	735971262	VMUCJGKUUUCXNL-UHFFFAOYSA-N	321.424	3.728	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2nc3ccccc3o2)c(C)c1	743761981	GBCDZAZFMLPHDI-UHFFFAOYSA-N	323.396	3.829	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)Oc2ccc(F)cc2)c(C)c1	743762052	USBMDJOSOKJXDV-CQSZACIVSA-N	316.376	3.662	50	20	DHGD	
CC[C@@H](CNC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745310398	CYFRSJLVUNTWTN-LBPRGKRZSA-N	318.808	3.555	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(F)cc2C)c(Cl)c1	748562577	ULVBUSSFCQOHQF-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)/C=C/Sc2ccccc2)c1	748785066	KOOBWAABNIGNDI-MDZDMXLPSA-N	302.374	3.883	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1c(F)c(F)cc(F)c1F	749273919	YJWXZOPQTVUIAA-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(CCC1CCC1)NNc1ccnc2cc(Cl)ccc12	749523762	IHXMHYGPJMDRMD-UHFFFAOYSA-N	303.793	3.912	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccnc2)C[C@H](c2ccccc2)C1	749853573	PCDCJAKODRWHPM-RHSMWYFYSA-N	307.397	3.771	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1	750600002	OURHKUQBOATAJD-JMIUGGIZSA-N	321.399	3.508	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)CC1(C)CCCCC1)c1ccccc1	753145438	FUIXWDPJCXDJFO-INIZCTEOSA-N	316.445	3.688	50	20	DHGD	
O=C(NN=CCCc1ccccc1)c1ccc(Cl)cc1F	755755272	JSFZRKLOTXCDCX-UHFFFAOYSA-N	304.752	3.828	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)OC1CCCCC1	760210221	KSODQAMVNZTGFU-FOWTUZBSSA-N	321.380	3.655	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	761336174	VYCXRKHYXHWMRU-SECBINFHSA-N	313.785	3.764	50	20	DHGD	
Cc1ccc(Br)c(C(=O)NN(C)c2ccccc2)c1	764321197	QXJOQUJTVKDGBE-UHFFFAOYSA-N	319.202	3.539	50	20	DHGD	
O=C(Cc1ccccc1F)NN=C1CCC(C(F)(F)F)CC1	766021697	KWDATKZKWKYNFF-UHFFFAOYSA-N	316.298	3.593	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OC[C@@H]1CC1(Cl)Cl	766749711	DKSZGFFFTZMONT-NKWVEPMBSA-N	318.038	3.533	50	20	DHGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)NCc1ccccc1	767340961	KXTVPKJHVAHPBJ-YBEGLDIGSA-N	310.784	3.872	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc([C@@H]2C[C@H]2C)o1	771301966	MEZFXRFRRAVBAA-DGCLKSJQSA-N	317.364	3.677	50	20	DHGD	
CC(C)(C)[C@H](NC(=O)NNc1ccccc1Cl)C(F)(F)F	775978619	HJJIXUCULPTMAD-JTQLQIEISA-N	323.746	3.943	50	20	DHGD	
C#CCOc1ccccc1NC(=O)NNc1cccc(Cl)c1	776098891	KXYWMRGKPCKJEM-UHFFFAOYSA-N	315.760	3.501	50	20	DHGD	
CC(Cl)(Cl)C(=O)NNc1ccnc2cc(Cl)ccc12	777521306	QCMDLQIEQTXIHH-UHFFFAOYSA-N	318.591	3.525	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc2cccnc12	781071211	QBJKXGMWTKYLIN-CYBMUJFWSA-N	321.218	3.983	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@@H]2CCCC[C@@H]2C)o1	783837872	QSLHEFLFTNUDBM-GJZGRUSLSA-N	319.449	3.663	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1csc(Cl)c1	787150902	IAJCCHUDSXPDDH-UHFFFAOYSA-N	322.817	3.629	50	20	DHGD	
CSSCCNC(=O)[C@H](OC(C)(C)C)c1ccccc1	791151624	AOZLCKXQAPXXFB-CYBMUJFWSA-N	313.488	3.670	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc2c(cn1)CCCC2	794745000	NENPHFVIBVYHNG-SXGWCWSVSA-N	321.355	3.645	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(C(C)(C)C#N)cc1	796039894	LJFSKUSNIPASSF-NSHDSACASA-N	324.218	3.676	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1nc(Cl)ccc1F	799759747	VPWWRBQTEHDJNL-UHFFFAOYSA-N	307.756	3.502	50	20	DHGD	
CC(=O)NN=Cc1ccc(-c2ccccc2Br)cc1	800805139	JUCKWJGXPIVBNW-UHFFFAOYSA-N	317.186	3.586	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2ccccc2F)CCCC1	808129515	VGNNIHFFBKVCQO-UHFFFAOYSA-N	304.192	3.557	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)ncn3C)cc1C	809160235	KHQSNBGZMSLLGV-RQZCQDPDSA-N	315.376	3.980	50	20	DHGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2Cl)ccn1C	810678991	INSBQTAFWGHMPT-UHFFFAOYSA-N	312.200	3.651	50	20	DHGD	
CCC[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	811466154	NVPCYDHOYNTSIA-QGZVFWFLSA-N	311.853	3.695	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)CCOc2ccccc2)c1	814823664	QFJOYAACNILGHO-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCC[C@H]1CCCO)c1ccccc1	814845802	WHHCRLRBCXPYCB-DLBZAZTESA-N	316.445	3.615	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccccc2Cl)cc1	814997551	UCLSPMNLNNNZLZ-UHFFFAOYSA-N	303.749	3.504	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(O)c1Cl	834400979	OIMWJEULATVOCN-FGEHYREYSA-N	318.804	3.647	50	20	DHGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1cccc(Cl)c1Cl	838348196	WRGNQCZHJRIIOU-SECBINFHSA-N	318.248	3.603	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1csc(-c2ccccc2)n1	841611240	PUXWDLKFPBBJJK-UHFFFAOYSA-N	301.415	3.696	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842248866	JREPFFFQHXSDAL-JTQLQIEISA-N	311.357	3.639	50	20	DHGD	
CCC(=NNC(=O)[C@H]1CCO[C@H]1C)C12CC3CC(CC(C3)C1)C2	842561301	PWUMGZUKQDHRRW-VYXJFRSESA-N	318.461	3.510	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H]2CCCC[C@@H]21	843938492	GOYZHAIMTMDPBY-SDDRHHMPSA-N	302.256	3.587	50	20	DHGD	
Cc1nocc1CN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852167104	WQPHFWFXVZXMEN-OAHLLOKOSA-N	310.514	3.969	50	20	DHGD	
CCCn1nccc1/C=C(\C#N)C(=O)Nc1c(C)cc(C)cc1C	853000480	BSMDTSJRDYMPGT-LFIBNONCSA-N	322.412	3.764	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1oc(SC)cc1C	854336099	LUUIIDBKUNQHJO-UHFFFAOYSA-N	304.415	3.938	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CCCc1sccc1C	855366348	BWZKHLBMLDENOE-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
C[C@@H]1C[C@@H](c2cccnc2)N(C[C@@H](CBr)C2CC2)C1	859252930	PVPJXBNPWJQPGI-WQVCFCJDSA-N	323.278	3.886	50	20	DHGD	
COc1cccc(NC(=O)[C@@H](Br)C(C)(C)C)c1C	862776910	VGXXQRKOERWCRZ-GFCCVEGCSA-N	314.223	3.752	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(CC3CCC3)c2)cc1	899338742	MIXUFFLKSKUVFP-RQZCQDPDSA-N	320.396	3.537	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(C)ccc2C)cc1	916345940	QGAHLALJHCGKMW-UHFFFAOYSA-N	312.438	3.854	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(C)nc1C	1117701765	ADKOKABUCSYGES-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
COc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCl)s2)cc1	1319674995	SWSVZQJAYWUMRH-VIFPVBQESA-N	324.833	3.543	50	20	DHGD	
CC[C@H](C)[C@@H](CNC(=O)CCCC[C@H]1CCSS1)OC	1328028443	ZGCXCPNOPNUYAS-MELADBBJSA-N	319.536	3.878	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1	95399	OAMRJKRVUINBNP-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
CCOc1ccc(C(=O)NNc2cccc(C)c2)cc1OCC	72514589	WDMYFNGIALUSNA-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1cc2c(F)cccc2[nH]1	106925950	GQQDXIIPMIDDTD-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
C[C@@H](CBr)CN(Cc1ccco1)Cc1ccco1	133518276	QYSIRFJVGUEGGB-LBPRGKRZSA-N	312.207	3.906	50	20	DHGD	
Cc1ccc(NNC(=O)c2scnc2C2CCCC2)cc1	185161274	PKDMHARNCQBMJY-UHFFFAOYSA-N	301.415	3.866	50	20	DHGD	
CC(C)c1cnc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)s1	185743807	DXZOYDZKMJDYDN-GHXNOFRVSA-N	313.382	3.518	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(F)nc1	186384105	FPOABMSKNXVKFV-JYRVWZFOSA-N	305.312	3.800	50	20	DHGD	
Cc1ccsc1C(=O)NNc1ccccc1OC(F)(F)F	190184096	BHVJRTWVBUCRCS-UHFFFAOYSA-N	316.304	3.712	50	20	DHGD	
O=C(C[C@@H]1CCCOC1)NN(c1ccccc1)c1ccccc1	192517152	ZKQZOSMPPXZAIL-INIZCTEOSA-N	310.397	3.673	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(CC)o1	255363471	TWAPLWXUXVJNIB-QBFSEMIESA-N	310.353	3.786	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(Cl)c(F)c2)CCO1	272861560	SBTHYAJADGUIKL-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CSSCCNC(=O)Nc1c(C)cc(N(C)C)cc1C	285873928	IGRCYIOZWUSMBA-UHFFFAOYSA-N	313.492	3.502	50	20	DHGD	
N#CC1=CCN(C(=O)CCSc2cccc(Cl)c2)CC1	291613297	GIRDKEVSPJBUCA-UHFFFAOYSA-N	306.818	3.504	50	20	DHGD	
CCCN(N=Cc1ccc(C#N)cc1F)C(=O)OC(C)(C)C	496241435	BFEFVAANUZQUOR-UHFFFAOYSA-N	305.353	3.678	50	20	DHGD	
CS[C@H]1CCCCN(C[C@H](CBr)C2CC2)C1	701861200	ABGAUYRFJINUQS-STQMWFEESA-N	306.313	3.625	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1ccc(Cl)c(Cl)c1	725409521	RVEVIZCGMAFGQK-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(C)c2C)c1	731155470	HNNOOMYRCCLAGM-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccc(O)c(Cl)c1	734094843	WEDWZWNUTCKVSZ-LPWJVIDDSA-N	318.804	3.588	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(Cl)s1	740092928	COEOFPILCCKUGW-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCSc2ccccc21	742042927	WVMKVYANCYBUAJ-CQSZACIVSA-N	302.374	3.548	50	20	DHGD	
CC(C)(C)SCCNC(=O)NNc1ccc(Cl)c(F)c1	746760682	FQMHKAZDKHCHOM-UHFFFAOYSA-N	319.833	3.637	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1ccc(F)cc1)CCc1ccccc1	749158730	QMKIVUHCUVMDMW-OAHLLOKOSA-N	312.388	3.739	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCC(C)(C)C1)c1ccccc1	755885047	ULFVCPNIAFNRPC-CVEARBPZSA-N	316.445	3.544	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(C)nc3)c[nH]c2c1	764887570	QXMXTGRKYVHIPW-NVNXTCNLSA-N	301.349	3.970	50	20	DHGD	
Cc1cccc2c1CC[C@H]2NC(=O)[C@H](Br)C(C)(C)C	767968251	LOAWIJWPTFZDSR-KGLIPLIRSA-N	324.262	3.908	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CCc1ccccc1	771286378	HWSNTYHJIHOGNF-CQSZACIVSA-N	315.392	3.782	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)Cc1ccc(Cl)cc1	775642940	PXFQINZUILIFOH-AWEZNQCLSA-N	324.852	3.636	50	20	DHGD	
C[C@H](Cc1ccccc1)n1cccc1C(=O)N1CC=C(C#N)CC1	780690351	TXKGIXSHQFHNIA-MRXNPFEDSA-N	319.408	3.588	50	20	DHGD	
C[C@@H]1C(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)CCC[C@H]1C	781116758	IJCZDUAOZYNNFM-OLZOCXBDSA-N	310.401	3.619	50	20	DHGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=CC1(C)CC1	782158161	HDZCBGPVUHFYCJ-LBPRGKRZSA-N	308.809	3.626	50	20	DHGD	
O=C(NN=C1CCC12CCCC2)c1cc(-c2cccs2)[nH]n1	788720989	YGBZQIODOJIISY-UHFFFAOYSA-N	314.414	3.578	50	20	DHGD	
COc1cnc2ccccc2c1C(=O)NNc1cc(C)cc(C)c1	801928917	BFEFAODRMYHGCU-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(F)cc1	806371444	DXNLUJLANMRXGG-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
Cc1cccc2c(CCC(=O)N(C)CC(Cl)Cl)c[nH]c12	808246671	IABGAZCMNGASSM-UHFFFAOYSA-N	313.228	3.671	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(C(=O)O)c1)c1ccc2ccccc2n1	809155470	XWBMBZJWEQLSFO-ZROIWOOFSA-N	316.316	3.703	50	20	DHGD	
O=C(NN=Cc1ncc(Cl)s1)c1ccc2ccccc2c1	814810945	ZWEILAZYIMPFMW-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cccc(O)c1Cl)c1ccccc1	814844950	CVSDLMJXAIEGFA-AWEZNQCLSA-N	316.788	3.690	50	20	DHGD	
O=C(CC1CC1)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	814988633	PWFUBUGHNXHCFW-UHFFFAOYSA-N	319.817	3.714	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)OC1CCCCC1	834752033	SBZQJHQGNRPNFR-WJDWOHSUSA-N	321.380	3.655	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cnc(C(C)(C)C)nc2)cc1	837052891	GFPSPPFTYACJTC-UHFFFAOYSA-N	312.417	3.654	50	20	DHGD	
CCC1(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CC1	846378241	DYGZGGAVVZRFCN-UHFFFAOYSA-N	306.715	3.992	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1oc2ccccc2c1Br	848402806	HZNIYRZBOOFTHC-VIFPVBQESA-N	323.190	3.692	50	20	DHGD	
CC[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(C#N)cc1	857081553	GTSDDIAPJMNACA-SOUVJXGZSA-N	307.235	3.772	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1cc(F)cc(F)c1	857082759	QQBHMXFECKBTOE-CKLFPEKLSA-N	304.178	3.789	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857392008	XALHDEHJDOQLHS-WCQYABFASA-N	316.626	3.552	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1cccc(F)c1F	859537929	SMTIZLVWPZIPAJ-SECBINFHSA-N	319.145	3.543	50	20	DHGD	
CC[C@H](C)Oc1ccc(NC(=O)NNc2cccc(C)n2)cc1	860513742	PJUCZJFYOBYBOC-ZDUSSCGKSA-N	314.389	3.716	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	861526371	PTFDMRWMLWRXDP-KZNAEPCWSA-N	306.409	3.586	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccc(F)c(Cl)c2)c1	914857174	XLLQTXODLTXXNB-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)[C@H](C)Oc1ccccc1F	915949198	DOUMLHRGGZIFLH-STQMWFEESA-N	308.397	3.911	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OCCCc2ccccc2)c1	916595380	FYQRDZSJZZNFLS-QGOAFFKASA-N	321.376	3.778	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)c(C)[nH]1	917574352	LKWHRIXMHVCYAO-UHFFFAOYSA-N	315.442	3.726	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cnc(C(C)(C)C)s1	920375312	RROUYPYQBIYKHQ-UHFFFAOYSA-N	316.430	3.905	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1cncc(Br)c1	1256347451	RRGQPAVEFGRKFL-ZDUSSCGKSA-N	314.227	3.504	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)c1ccccc1Cl	1323154447	KTBSQIQDCPXLQA-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
Cn1cccc1[C@H]1CCCN1C(=O)c1cccc(CCl)c1	1346429553	QAWBFYUWCOJMBJ-MRXNPFEDSA-N	302.805	3.741	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(C(=O)O)c1F	1605238259	SWCZLGDRMHSSBF-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cn1	44028220	SMOLRLZIGHDNKG-BJMVGYQFSA-N	306.152	3.517	50	20	DHGD	
CN(Cc1ccncc1)C(=O)CCCC[C@H]1CCSS1	47632290	XOUXTWWCGMINEG-AWEZNQCLSA-N	310.488	3.754	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	73923836	ADXCPCJPUXWKHK-XGHPXPSOSA-N	318.417	3.563	50	20	DHGD	
Cn1nccc1/C=C(\C#N)c1nc2cc(Cl)ccc2s1	74343679	CSVSROFGLMLMJL-RMKNXTFCSA-N	300.774	3.747	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1cccc(Br)c1	91983526	MHXSXQWQBAUKQW-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CN(C)c1ccc(Cl)cc1NC(=O)NNc1ccccc1F	92763592	GXWUOZSOJKIWOT-UHFFFAOYSA-N	322.771	3.694	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(C)c2Cl)s1	105570711	PCTJELYBZSXGBK-POHAHGRESA-N	305.790	3.542	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	105570959	ZAIBNXDQAKUNJO-ZROIWOOFSA-N	310.378	3.805	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)c(C)c1	112224756	JZDKBSAMJCZTHK-ZSOIEALJSA-N	322.330	3.764	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccc(F)c(Cl)c1	124215417	WXTCAUIYXDSFSF-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1	125064415	CSDMCVSIHPDQCF-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2ncc(Cl)cc2Cl)c1	133025209	YZCNRQDLFTWDTD-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccncc1Cl	154779862	BQXRXFVVCISYOO-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NNc2ccc(C)cc2)cc1	158712909	PVRLADAKDKKZOV-UHFFFAOYSA-N	311.429	3.988	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)CCc2ccccc2F)cc1	158731509	NWLWNGQZYZSBJC-CQSZACIVSA-N	300.377	3.846	50	20	DHGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1ccc(F)cc1	159351608	OOWIZTMHWDLATJ-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c1C	171046038	NDFQILXQHVKMDF-LICLKQGHSA-N	307.397	3.927	50	20	DHGD	
Cc1ccc2oc(C(=O)Oc3ccc([N+](=O)[O-])c(C)c3)cc2n1	171523207	QMPSZMMENMZCCY-UHFFFAOYSA-N	312.281	3.572	50	20	DHGD	
CSSCCNC(=O)c1ccc(F)cc1C(F)(F)F	283876380	CCXJBJHUQFERMR-UHFFFAOYSA-N	313.341	3.586	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc(OC(F)F)cc1	285455426	ZRJDIOVMYAJHGR-UHFFFAOYSA-N	310.300	3.761	50	20	DHGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc(F)c1	588597243	CKKBEAWSKSKWEO-XGICHPGQSA-N	314.247	3.663	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	726430523	TXTBWSVJSIVOEA-CEXMDJMXSA-N	322.202	3.980	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cccc(N(C)C)c1	727254090	OQTJOSNIPUGWJX-AWEZNQCLSA-N	301.434	3.829	50	20	DHGD	
COc1ccc(NNC(=O)CCCc2ccc(Cl)cc2)cc1	729272223	MXOVWKZWLNEQBN-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
C[C@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C	734436625	YEJUXVIJRSJPRP-SECBINFHSA-N	322.796	3.515	50	20	DHGD	
C[C@@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)CC(C)(C)C	736563543	QPBXHRPJKBEKPR-JTQLQIEISA-N	323.345	3.661	50	20	DHGD	
O=C(NN=Cc1ccccc1F)Nc1ccc(OC(F)F)cc1	741772447	WKESJSYHSXYNLK-UHFFFAOYSA-N	323.274	3.583	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1	746703531	ZRWGCJCRWFSUGG-UHFFFAOYSA-N	308.303	3.984	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@H]2C[C@H]3CC[C@H]2C3)cc1	747568016	RGFXSHGXIWBKEF-UTSRZJSCSA-N	311.381	3.582	50	20	DHGD	
Cc1ccccc1[C@H]1CN(/C(=C\C#N)c2ccccc2)CCO1	750800581	VLFKMYYIHXTRSP-DEWISIQVSA-N	304.393	3.933	50	20	DHGD	
CCCCCc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	755468884	LVKWNFGXHGJCEJ-UHFFFAOYSA-N	317.433	3.762	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C(C)CC2CCC2)cc1	758365804	ONYWREVCSAVUPG-CQSZACIVSA-N	318.417	3.535	50	20	DHGD	
Cc1ccccc1[C@H]1CCCN1CCI	759340212	ZKCPZFDMFNKUGB-CYBMUJFWSA-N	315.198	3.567	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1C#N	766290255	OSWLVGQMBDOMMR-YVLHZVERSA-N	312.332	3.981	50	20	DHGD	
C[C@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)C(F)(F)F	768009582	OXCLDJHBOYYGTQ-SCSAIBSYSA-N	319.085	3.774	50	20	DHGD	
N#C/C(=C/c1cscc1Cl)C(=O)NCc1ccccc1	771843361	YZYNOAPDULNFPN-SDQBBNPISA-N	302.786	3.625	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)c1cc(F)cc(F)c1	773174050	ZWSDKUPIEOLTSD-YIXHJXPBSA-N	312.250	3.765	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	779777158	RXPACBOVUGXXNA-CQSZACIVSA-N	310.401	3.558	50	20	DHGD	
C[C@H]1CCCC[C@H]1C=NNC(=O)Nc1ccc(N(C)C)cc1	783850425	SSMJZMKQPSFKRJ-KBPBESRZSA-N	302.422	3.686	50	20	DHGD	
N#C/C(=C/c1c(F)cccc1OC(F)(F)F)c1ccncn1	789148579	RJKRBICCYCWQLV-TWGQIWQCSA-N	309.222	3.578	50	20	DHGD	
CC[C@H](NC(=S)NCCSSC)c1cccs1	789325612	QOSMBTDIIDOXCU-VIFPVBQESA-N	306.547	3.675	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H](C)C1	790880112	HFIMRYULMUCYPL-DZGCQCFKSA-N	324.515	3.833	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](C)Sc1ccccc1Cl	791213433	JXNWUWOAMKTGGO-NSHDSACASA-N	321.833	3.667	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	795165429	MNOFUJAVAFHTOD-HOCLYGCPSA-N	324.428	3.803	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2cc(F)ccc2o1	795517508	SGLIKLYSUSREAP-UHFFFAOYSA-N	313.122	3.680	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1ccccc1Cl	801175766	GWMPOQNKFFFAMH-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2F)sc2cc(F)ccc12	807669856	VIRFGYSUSTVZOK-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc3ccccc3o2)cc1	812435250	BSJYIUJYPBHNRR-UHFFFAOYSA-N	324.405	3.984	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1COc2ccccc21	812767655	OOAXAKKGLCIILR-MRXNPFEDSA-N	310.397	3.738	50	20	DHGD	
CCCC(=NNC(=O)c1ccc2ccccc2n1)c1ccccn1	814682421	LEHCWZCQZXNXNP-UHFFFAOYSA-N	318.380	3.564	50	20	DHGD	
CCOC(=O)NN=C(C)c1sc(Cc2ccccc2)nc1C	814693543	WUSWOJUVKUPFSF-UHFFFAOYSA-N	317.414	3.512	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1cc(-c2ccccc2)on1	814789258	AJMODWSWBGTFBE-CQSZACIVSA-N	309.369	3.638	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C(C)C)nc2C)cc1	817904510	JARBCRHNEDGBBN-UHFFFAOYSA-N	313.401	3.669	50	20	DHGD	
C/C=C\COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	818032575	VWGQHULZXQZXBC-GCMZLDECSA-N	300.402	3.787	50	20	DHGD	
CSCCCCC(=O)NNc1nc2c(C)cccc2s1	828362583	MWHIRJAHWIVMGP-UHFFFAOYSA-N	309.460	3.581	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)[C@H]1CCCC[C@H]1C	834924224	MUCOMQRQGKPCOC-DYVFJYSZSA-N	301.434	3.685	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cc(C3CC3)n(C)n2)cc1	836628352	PCIADEZCKQLVNQ-UHFFFAOYSA-N	313.405	3.570	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CC23CCSCC3)c(Cl)c1	836935795	UTKNAOOLBYBNDC-LLVKDONJSA-N	310.850	3.625	50	20	DHGD	
CCc1cccc(N(C)C(=O)c2c(C)nn(CCCl)c2C)c1	837274232	VWWJBCORMJZKFX-UHFFFAOYSA-N	319.836	3.578	50	20	DHGD	
O=C(CCSc1cccc(Cl)c1)NCC(Cl)Cl	837647823	KUXHKXQVZOXFLX-UHFFFAOYSA-N	312.649	3.742	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c(C)c1	849178009	BESMEEDGNJLWMC-PCJMVEANSA-N	313.397	3.687	50	20	DHGD	
CC(C)(CC(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccccc1	857404459	YHQDGYMIZNTQAU-XJKSGUPXSA-N	324.262	3.644	50	20	DHGD	
CC(C)CCOC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	859111738	DWQDGLHEAQDSBH-UHFFFAOYSA-N	304.302	3.705	50	20	DHGD	
Cc1cccc2sc(NNC(=O)c3c[nH]cc3C3CC3)nc12	881441642	JUJMCINDYSDFRK-UHFFFAOYSA-N	312.398	3.567	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1nc2ccccc2cc1C1CC1	908221883	CSRUJKGYIMRXTN-UHFFFAOYSA-N	323.223	3.988	50	20	DHGD	
CCC(=NNC(=O)C(C)C)c1cc(Cl)cc(Cl)c1O	916327771	HEZCNHPTSXOTRS-UHFFFAOYSA-N	303.189	3.585	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CCC[C@H](C)C2)cc1	916338384	VVUSDXJUGFSPQW-KBPBESRZSA-N	318.417	3.535	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccccc1Cl)c1ccccc1	916517506	ZLZJTRJYLZNBKY-UHFFFAOYSA-N	317.820	3.944	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)C12CC3CC(CC(C3)C1)C2	917025771	DFBZCLXFKDFXTQ-UHFFFAOYSA-N	314.429	3.921	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	920991518	LMBWSPWENICRHO-NTCAYCPXSA-N	305.308	3.628	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)c1ccccc1Cl)CC(C)(C)C	1337502399	FEOSXHNEIALQCE-NSHDSACASA-N	310.825	3.563	50	20	DHGD	
C[C@@H]1CC(C(=O)O)C[C@@H](C)N1CCO[Si](C)(C)C(C)(C)C	1604652963	SSOGSPIHZCEKQK-CHWSQXEVSA-N	315.530	3.582	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(C)c1OC(F)F	7208395	ZMFUBCSYTQZUDO-NTUHNPAUSA-N	309.312	3.763	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)cc1	60529085	CKPKRKZRPNETSU-GXDHUFHOSA-N	322.412	3.815	50	20	DHGD	
O=C(CCc1ccc(Cl)s1)NNc1cccnc1Cl	85681877	APXDRHDPLHKXTR-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNC(=O)Nc1ccccc1	122057540	DPAMTWNAJUWRBO-UHFFFAOYSA-N	318.764	3.507	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccs1	122721545	JVVJTWJPIVJGJN-SECBINFHSA-N	312.341	3.596	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cccc2c3c([nH]c12)CCCC3	154512037	JHGYWHBCQTULEX-UHFFFAOYSA-N	323.371	3.943	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cnc(C2CCC2)s1	155214381	NYQZWKNFIHCTTB-UKTHLTGXSA-N	303.431	3.624	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cccc(Cl)c2)CC1	171017345	AZAJPDLCWCNHGN-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	176153571	VMFHXRDBYKNWOZ-NSHDSACASA-N	320.339	3.899	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cccc3nccn23)ccc1[N+](=O)[O-]	180572633	HDPDRAFCXLCQSW-GXDHUFHOSA-N	304.309	3.615	50	20	DHGD	
CO[C@H](C)CCC(=O)NN(Cc1ccccc1)c1ccccc1	180712189	PKDZLCRTAJPHHL-MRXNPFEDSA-N	312.413	3.540	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1Nc1ccccc1	180800129	XEMASHJYOHBIMT-BUHFOSPRSA-N	307.353	3.813	50	20	DHGD	
O=C(CC1CCC(c2ccccc2)CC1)NNc1ccccn1	181238952	GTWXOXYRNPQXJG-UHFFFAOYSA-N	309.413	3.889	50	20	DHGD	
CC(C)(C)c1ccc(CCC(=O)NNc2ccnc(F)c2)cc1	182435970	JJENCKNIAJZJRV-UHFFFAOYSA-N	315.392	3.594	50	20	DHGD	
Cc1oc2ccc(NC(=O)NNC(=O)c3ccccc3)cc2c1C	186477348	IIRNLLFUYCCRAD-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccnc1Cl	192838815	WYWJESIFOCWSCU-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)oc2C(F)(F)F)c1	274680929	RMIIFVNLUUCNRN-UHFFFAOYSA-N	312.291	3.981	50	20	DHGD	
CCOc1cccc(C=NNC(=O)[C@@H](CC)c2ccccc2)c1	731931041	ARERMGVCXIBWKH-SFHVURJKSA-N	310.397	3.729	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1[N+](=O)[O-]	732577205	PMYRITTVQDDUAW-JYRVWZFOSA-N	310.284	3.832	50	20	DHGD	
COc1cc(OC)c(NC(=O)NN=C2C=C(C)CC2)cc1Cl	741770135	UWJQKLKHLYLRCC-UHFFFAOYSA-N	323.780	3.575	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@H]1C[C@H]1C1CCCCC1	745858251	PMMRCJUIAJGSNF-FZMZJTMJSA-N	309.360	3.560	50	20	DHGD	
O=C(CCOc1ccccc1)NN=Cc1csc2ccccc12	747051064	ISSAWHWTMBZLIO-UHFFFAOYSA-N	324.405	3.821	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccc(C)cc1	749193016	HGKDWCRLOVQKRO-OAHLLOKOSA-N	318.804	3.949	50	20	DHGD	
CCCC1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CCC1	752550469	HZHOYKHAGHGVSA-PTNGSMBKSA-N	300.377	3.819	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccccc1Br)C(C)C	765005092	WDJKSCPPSSDKJG-NSHDSACASA-N	313.239	3.965	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1C(C)(C)C	767958732	QIUICAAPOJYQOE-GHMZBOCLSA-N	304.272	3.833	50	20	DHGD	
C[C@@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)C(F)(F)F	768009581	OXCLDJHBOYYGTQ-BYPYZUCNSA-N	319.085	3.774	50	20	DHGD	
CC1(CC(=O)NNc2ccc(C(F)(F)F)cn2)CCCCC1	775265409	LIYZRKWEBUKLBL-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccccc1OC(F)(F)F	779208792	NDHOUFODBDBULP-WDEREUQCSA-N	316.323	3.855	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1F	780803995	WRRDMXCTTIALNW-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2c(C)cc(C)cc2C)CCO1	782016621	HPABXNKMUYWBFD-HOTGVXAUSA-N	304.434	3.650	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc(Cl)c2)cc2cccnc12	783803839	GZGUTQSBFYOTQX-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC(C)(C)C1	787528016	BPMVBMMQXFFPSM-DHDCSXOGSA-N	312.413	3.584	50	20	DHGD	
CC1(C)CCN(C(=O)[C@H](Br)C(C)(C)C)CCS1	790139558	DBUFBPZRXPVYML-JTQLQIEISA-N	322.312	3.540	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CCCc2ccc(F)cc21	790879040	MNLAULXSJACQIX-CYBMUJFWSA-N	314.451	3.514	50	20	DHGD	
CCc1ccnc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791726217	FRTKJQFRODYLQJ-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2cnc3ccccc3c2)c1	792632948	UPKUDONDEDWLGA-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1Br	794691336	NHSPIKMXIVSPKS-QVIVLVACSA-N	322.202	3.980	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)c1ccc2ncccc2c1	794883761	DIDRVUGEWYIWDZ-NVNXTCNLSA-N	318.307	3.869	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1C#N	799498095	FERLTOLPQCWWPV-CPSFFCFKSA-N	324.286	3.635	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805383684	KXZRZGYXUNATGS-OCCSQVGLSA-N	305.378	3.563	50	20	DHGD	
CO[C@H]1CCN(Cc2ccc(OCCCCl)cc2)[C@H](C)C1	811500545	GPNVDTUZUFXDPU-PBHICJAKSA-N	311.853	3.694	50	20	DHGD	
CC(C)O[C@@H](C(=O)NNc1ccccc1Cl)c1ccccc1	815852961	PMHFLLXDXHPREX-MRXNPFEDSA-N	318.804	3.949	50	20	DHGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)C1	816018336	AIEDHHHDOMLKBU-CJNGLKHVSA-N	304.434	3.632	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccccc1Br	827506439	RVIGSXILQFZVSE-QMTHXVAHSA-N	311.223	3.719	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C(C)(C)C1CCOCC1	836936393	LKZHUBUNSXZHOK-UHFFFAOYSA-N	310.825	3.544	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)c1ccc(Cl)cc1	846018253	FWGJZIFYZQOJQA-NSHDSACASA-N	318.808	3.500	50	20	DHGD	
C[C@@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F	859410620	CVQSCFJAUBLLEM-LRHJGITESA-N	321.327	3.682	50	20	DHGD	
Cc1ncccc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	875845571	GWNIHECBLJFFCC-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
Cc1ccn(C)c1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583047	SSZVCIIDWOOJKG-CQSZACIVSA-N	322.525	3.570	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1	912583068	TZQXJPXZASNDFN-WHLNPGIBSA-N	320.509	3.651	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc2oc(C(C)(C)C)nc2c1	914746383	UUZQTHPDBAUUNC-KHPPLWFESA-N	313.357	3.508	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1oc2ccccc2c1C	916270267	ZYDYUFUCDKWCSW-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNc1ccccc1Cl	918223490	SBLAXWYPFNXDPL-CYBMUJFWSA-N	317.820	3.906	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C(C)(C)C)on2)cc1Cl	1323252018	HCIVYKHXDNBBQZ-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2ccc(C3CCC3)cc2)cc1	1324190691	CMNUYTISOKESHP-UHFFFAOYSA-N	308.381	3.727	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CC[C@H]1CCOC1	1326711393	XLOSFNQRQXCNOK-JKSUJKDBSA-N	313.558	3.899	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1F	1777465305	LXZUYSVXRYVOPT-LCYFTJDESA-N	309.296	3.622	50	20	DHGD	
Cc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1	103762008	IJMPTUNQPITJHU-YBEGLDIGSA-N	317.797	3.987	50	20	DHGD	
Cc1cc(O[C@H](C)C(=O)NNc2ccccc2)ccc1Cl	111552037	VHICRWLFBPPHSQ-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1	114883485	BGXFSCHDAHFXSR-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc2ccc(Cl)cc2[nH]1	118515643	KZQARRVLJYPUBY-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
Cn1cc(CC(=O)NNc2ccc(Cl)cc2)c2ccccc21	120281122	TUBIKZXPSVLKON-UHFFFAOYSA-N	313.788	3.518	50	20	DHGD	
N#Cc1cccc(NNC(=O)C2(c3ccccc3)CCCC2)c1	152308200	MRDZDPDZTCXDEO-UHFFFAOYSA-N	305.381	3.513	50	20	DHGD	
Cc1cccc2c(CCC(=O)NNc3cccc(F)c3)c[nH]c12	154114043	SFJXLLMDRKDENZ-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1cccc(F)c1	155085446	JUVUTOIAKWKDOT-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccccc2Cl)cc1[N+](=O)[O-]	158357194	IOXHVHHARVINQN-UHFFFAOYSA-N	319.748	3.568	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(F)cc3cccnc23)c1	159442605	FLLLJNOZJBWCRW-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1cccc2ccccc12	160656010	LRDWEHJXQKIGEO-UHFFFAOYSA-N	308.356	3.973	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2ccco2)n1	160827757	HVDAMYBZOMEIMN-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
C[C@@H](C(=O)NNc1c(F)cccc1F)c1ccc(Cl)s1	176164025	TYULFUTUZPKOSP-SSDOTTSWSA-N	316.760	3.927	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CSc2ccccc21	178507956	XVONTFBNDJAZCQ-OAHLLOKOSA-N	321.405	3.567	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)Nc1cccc(C)c1	179026412	WYVXWLLFFFVYHS-SDNWHVSQSA-N	322.364	3.558	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnc2ccc(F)cc2c1	184341401	SXUGFCPFELCNJX-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c2ccccc12	280108900	VHPXPRVYAVSPAW-YLQKULKDSA-N	321.376	3.751	50	20	DHGD	
N#C/C(=C\c1ccc(Oc2ccccc2)o1)C(=O)[C@H]1CCCOC1	281279877	XKGCDAUICOXJHU-AYYGCFCKSA-N	323.348	3.975	50	20	DHGD	
CSSCCNC(=O)/C=C/c1cnc(C(C)(C)C)s1	283931179	FHAZMUFKITZUQA-AATRIKPKSA-N	316.517	3.581	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c(F)ccc(O)c2F)cc1	490695134	MCDAXQAOZJRVFQ-DHZHZOJOSA-N	314.291	3.525	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	588555645	POGYIPLJEAZAOT-LICLKQGHSA-N	315.394	3.538	50	20	DHGD	
C=CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	735066910	ZIUSVRFGXVRYSC-CRRKTRLDSA-N	313.445	3.893	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1cc(F)c(F)cc1F	743415379	YQOQWOAQLNTCIR-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCc2ccsc2)cc1	744237070	CVGOQFKBYFJKAS-OQLLNIDSSA-N	313.378	3.797	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cc(F)c(F)c(F)c1	746704118	ULHKOKKBVUKQNJ-NXEZZACHSA-N	300.324	3.763	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CNc2ccccc2Cl)c1	748400445	HFWWSQSROBGZBG-UHFFFAOYSA-N	303.793	3.512	50	20	DHGD	
CCC1(C(=O)NNc2ccc(Br)cc2C)CCC1	748744685	VSYMKWSWVSSSEI-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
CO[C@@H]1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1(C)C	753311518	DVBWBTYKGKHZCG-JHJVBQTASA-N	317.520	3.630	50	20	DHGD	
CC1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCCC1	754148884	OYTNRDXNDVRCES-UHFFFAOYSA-N	304.287	3.868	50	20	DHGD	
Cc1cc(OC(=O)c2cccc(Cl)c2F)ccc1[N+](=O)[O-]	763480811	NDJHEPIQIKENMZ-UHFFFAOYSA-N	309.680	3.915	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccccc1Cl	768312403	ZIZLWRQYBWKKBM-WFASDCNBSA-N	310.825	3.769	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1C#N	772177658	YOHGDBVUZTYAFY-PJQLUOCWSA-N	308.287	3.935	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1cccc(C(F)(F)F)c1	773483996	XDDNOQBZGSAIIE-SECBINFHSA-N	306.353	3.680	50	20	DHGD	
Cc1ccc2c(c1)CCN2/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	773653261	XETUAWAZSDLQCT-QGMBQPNBSA-N	305.337	3.830	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)c1ccc(OC(F)F)cc1	776264818	JHRVFPUWQDLHFJ-YHYXMXQVSA-N	306.293	3.534	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)C1CCSCC1)c1ccccc1	777437609	RWBYEKLPGTZHAP-INIZCTEOSA-N	304.459	3.816	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(F)ccc2C)cc1	777871744	MDRFHIJSEWWKBN-RQZCQDPDSA-N	308.356	3.666	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cccc(F)c1	783515913	CMVTZIQJRFCRGK-UHFFFAOYSA-N	320.751	3.729	50	20	DHGD	
C[C@@H]1C[C@@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CO1	784006781	AMWNAFXFRRNVNN-RNFRBKRXSA-N	323.607	3.515	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cc(C)oc2C)cc1	787154992	OJDNVOBZZHCMPJ-NWRYFCBHSA-N	324.380	3.689	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)[C@H](C)c1ccc(Cl)cc1	794487939	GJIUAPVIWLDDNL-NSHDSACASA-N	303.793	3.588	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)ccc1C#N	799497724	ZVURNLGGRJTLCQ-AUWJEWJLSA-N	308.362	3.727	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(NCC3CC3)nc2)c(C)c1	800691783	GXKZWETXEHSVNK-UHFFFAOYSA-N	324.428	3.586	50	20	DHGD	
CC(C)(C(=O)NNc1ncccc1F)c1ccc2ccccc2c1	804212728	ADGNXZRISANMBL-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c(C)c1	805378406	QJECNEAVCPSDKB-UHFFFAOYSA-N	313.357	3.585	50	20	DHGD	
CC1(C)CC(C(=O)NNc2ccnc3cc(Cl)ccc23)C1	806358693	VGVUHLQTJSBIJR-UHFFFAOYSA-N	303.793	3.768	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CC1	815855564	YYGPAVQUUBNYPV-UHFFFAOYSA-N	311.769	3.518	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](CC)OC2CCCCC2)cc1	817882394	LKSYZWCBSUUHNP-QGZVFWFLSA-N	320.433	3.656	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](c2ccccc2)C(C)C)cc1	817915155	DXFFBPZLMAGZAQ-GOSISDBHSA-N	312.413	3.968	50	20	DHGD	
CC(C)c1nc2ccc(NC(=O)NN(C)C3CC3)cc2s1	824138301	BTKQZSSRYZDLRY-UHFFFAOYSA-N	304.419	3.550	50	20	DHGD	
CCO[C@H](CC(=O)NNc1cccc(Cl)c1Cl)C(C)C	838349880	RZIMVVBCXOSLBN-GFCCVEGCSA-N	319.232	3.888	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)cc1	839496274	GXRLAHNPRDPHDK-MRXNPFEDSA-N	310.397	3.783	50	20	DHGD	
C/C(=C/C(C)(C)C)C(=O)NNc1ncnc(Cl)c1C(C)C	840545366	GGHGYCOLJOJHCY-YFHOEESVSA-N	310.829	3.689	50	20	DHGD	
Cc1csc([C@@H](C)C(=O)NNc2c(C)cccc2Cl)n1	854842650	CCBOYEYCYCYDOS-JTQLQIEISA-N	309.822	3.660	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2csc(C(C)(C)C)n2)cc1F	856229766	WHNKULDXTNKKDB-UHFFFAOYSA-N	321.421	3.574	50	20	DHGD	
C[C@@]1(CNCc2cc3ccncc3s2)C[C@H]1Br	856809185	KHBHGLXKIABFHV-OLZOCXBDSA-N	311.248	3.559	50	20	DHGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNc1ccc(Cl)cc1	857159737	AMRIIRDAGAWVDZ-QMMMGPOBSA-N	307.608	3.757	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	857607085	QAJRDYXODCIUHG-MRXNPFEDSA-N	320.320	3.967	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1cc(Cl)ccc1F	871270273	OFBSASMCZXNHSY-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccccc1CC(F)(F)F	878816745	VHHGUHQKMIRBST-UHFFFAOYSA-N	315.122	3.717	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)c1ccn(C2CCCC2)n1	885137450	XTLFLZCDTPUMER-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccnc(C#N)c2)C1	912275680	PTMBSFIDSGWKBW-HNNXBMFYSA-N	303.482	3.554	50	20	DHGD	
C[C@@H]1CCCCC1=NNC(=O)CCSc1ccc(F)cc1	916346287	RUEUQFVVSPHLDG-GFCCVEGCSA-N	308.422	3.990	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(CC)cc2)n1	920387263	JSNOWRVILVQTOR-NTEUORMPSA-N	312.394	3.946	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(N2CCCCCC2)cc1	935016490	JIJQNJGSCXUKOH-UHFFFAOYSA-N	309.413	3.824	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Cn3cccc3)cc2)cc1	1319387435	AXNMLZJBIWNFGI-UHFFFAOYSA-N	305.381	3.602	50	20	DHGD	
Cc1ccc(NNC(=O)c2ncsc2C(C)C)cc1Cl	1343484604	NOKNKSPBRHZEKT-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
N#C/C(=C/c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O	1601045627	GWBDVNQDJNVHLB-UVTDQMKNSA-N	307.353	3.657	50	20	DHGD	
Cc1sc(NC(=O)C2CCC(Cl)CC2)c(C(=O)O)c1C	1608070831	ACFCGOWALPZVCO-UHFFFAOYSA-N	315.822	3.799	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	1776035599	PFIJDLFWEXPOTB-UHFFFAOYSA-N	324.380	3.548	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)cc(Cl)c1OC	33466769	YTYQEEDPAQOTAP-WDZFZDKYSA-N	307.777	3.879	50	20	DHGD	
O=C(CCc1cc(F)ccc1F)NNc1cccc(Cl)c1	53324274	JECYTCOYSQUDIN-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)NNc2ccc(F)cc2C)s1	118975931	OFHSEINVDMZIMB-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
C[C@@H]1CCC[C@@](CI)(OC2CCC2)C1	158368436	NSXKUBKCKXEICN-ZYHUDNBSSA-N	308.203	3.939	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCCCC[C@H]1c1ccc(CC)o1	159641657	MSPGZLPTZMPFKU-FIPLFPIMSA-N	316.401	3.730	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCc1ccccc1Oc1ccccc1	178961633	KBUCXWHBOZZNGO-JQIJEIRASA-N	322.364	3.539	50	20	DHGD	
COc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)ccc1F	187603011	VQFIRPUZNZSQIK-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	193163469	MYAXWXCNRHCEGQ-BPKVKKHESA-N	320.323	3.906	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccc2F)c(C)n1CC(C)C	254680227	XGTJOBMLQOMFPG-UHFFFAOYSA-N	315.392	3.664	50	20	DHGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1cccc(F)c1	254974022	FNUPTFFRAWWEDZ-HJWRWDBZSA-N	313.357	3.592	50	20	DHGD	
COc1ccc(CN(C)/C(=C\C#N)c2ccccc2)c(OC)c1	255000769	GLPNAHZSVPBVGD-WQRHYEAKSA-N	308.381	3.700	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(F)c(F)c(F)c2)c1	255266544	WGCXQHGTKXUMDS-WUXMJOGZSA-N	316.282	3.958	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCSC)c1C	255919105	VBHDTXNZTOMCKK-WJDWOHSUSA-N	320.458	3.718	50	20	DHGD	
Cc1cccnc1NNC(=O)CCCC[C@@H]1CCSS1	276755140	QKFMIRLFNYVWAM-GFCCVEGCSA-N	311.476	3.547	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)O)c2)c(C)c1	490877734	MQIBKNCKWKOSGR-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(OCCC(C)C)cc1	725854836	YLWTXODUFHDDLW-UHFFFAOYSA-N	313.401	3.594	50	20	DHGD	
CCCCC[C@H](N/C=C(/C#N)C(=O)OCC)c1ccccc1	728015289	MCUQKUGXBRPHMN-WAIALKQBSA-N	300.402	3.868	50	20	DHGD	
O=C(NN=Cc1ccnc2ccccc12)c1cc2c(s1)CCC2	731314334	BSVNCGJOCPIMRZ-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
C[C@@H]1CCC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)[C@@H]1C	734651790	ACPCFWSFNVUNJK-KKFJDGPESA-N	315.339	3.555	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2Cl)CCc2ccccc2C1	748303234	ZDNFJGUAFZMYET-GOSISDBHSA-N	314.816	3.978	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C	748711341	WJZPROSCPSNKGY-CLFYSBASSA-N	311.769	3.684	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC)c(O[C@@H](C)CC)c1	749451910	LKBBQVHBRKXCGJ-OJNRTJSBSA-N	315.369	3.509	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)c3cccc(C#N)c3)oc2cc1C	749815036	JFFKJMDJOAABOC-UHFFFAOYSA-N	317.348	3.685	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C[C@H]2C[C@H]2c2ccccc2)cc1	755743110	JOKGVVWLKHDYID-QAPCUYQASA-N	322.412	3.664	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccc(OC(F)(F)F)cc1	769605519	LBYXOOZZGCVYTF-MNOVXSKESA-N	316.323	3.855	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccc(OC(F)(F)F)cc1	769605522	LBYXOOZZGCVYTF-WDEREUQCSA-N	316.323	3.855	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCn1ccc2ccccc21	770332037	YHFDVKHPLJOBQQ-LBPRGKRZSA-N	324.218	3.606	50	20	DHGD	
O=C(/C=C/c1ccccc1F)NNc1ccc2ccccc2n1	777467125	USOWNUDJCMXUKK-ZRDIBKRKSA-N	307.328	3.530	50	20	DHGD	
CCS[C@@H](C(=O)NNc1nc2ccccc2cc1C)C(C)C	777477706	VXEIHUZBSBCXGA-OAHLLOKOSA-N	317.458	3.764	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(Br)n1	777914802	LNBBDQAFLLBFPV-JXMROGBWSA-N	317.142	3.535	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1cc(Br)cs1	782198315	BQRZYWXDEXSGLT-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
CCOc1c(Cl)cccc1C=NNC(=O)CC1CCCC1	782219097	JNDWUOLXRJQPMA-UHFFFAOYSA-N	308.809	3.769	50	20	DHGD	
CSSCCNC(=O)/C=C(/C)c1ccccc1Cl	791096406	BTHQTPICCVEVFA-KTKRTIGZSA-N	301.864	3.871	50	20	DHGD	
CSc1ccc(NC(=O)NNc2ncccc2C)cc1Cl	792325347	XVBGNGGXSSFYPJ-UHFFFAOYSA-N	322.821	3.914	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	792634006	YBVGCAQASRYXHR-NTEUORMPSA-N	307.346	3.651	50	20	DHGD	
CSSCCNC(=O)Nc1ccc2c(cnn2C(C)C)c1	794186472	RAOLEZYSJKAAMH-UHFFFAOYSA-N	324.475	3.750	50	20	DHGD	
COc1cccc(NCC(=O)NN=CCC2CCCCCC2)c1	799108409	WEXAQXLCMZKULQ-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
CC(COC(C)C)=NNC(=O)c1c(Cl)cccc1Cl	799878729	GGDMLYJWBMCAIL-UHFFFAOYSA-N	303.189	3.524	50	20	DHGD	
Cc1cc2occ(C(=O)NNC(=O)Nc3ccccc3)c2cc1C	801987547	MUCNJLVPNMHEMP-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@](C)(CO)c1ccccc1	808725230	QPRDXIODBXILFU-KRWDZBQOSA-N	309.526	3.506	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cnccn3)n2)cc1	809155089	OIEYKXBOWBAMCD-RIYZIHGNSA-N	304.378	3.973	50	20	DHGD	
C[C@H]1CCCN(CCNCc2ccc(OCCCCl)cc2)C1	811473485	APXULRMEIGGHKA-INIZCTEOSA-N	324.896	3.516	50	20	DHGD	
Cc1cc2cc(NC(=O)NNc3cccc(Cl)n3)ccc2[nH]1	814633341	LGHVEPCAUDHXAW-UHFFFAOYSA-N	315.764	3.673	50	20	DHGD	
O[C@H]1CCN(Cc2ccc(OCCCCl)cc2)C12CCCC2	816630759	QSCKIVPXFXKQDK-KRWDZBQOSA-N	323.864	3.574	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3cc(F)ccc3o2)cc1	817904631	LBLHSDAXNJIMDT-UHFFFAOYSA-N	314.316	3.728	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1OCC(C)C	834446556	ARJWVIVSBZUTID-ZSOIEALJSA-N	319.376	3.954	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)N2[C@@H](C)CC[C@H]2C)cc1	837055790	LPANWRGCOKXUMX-QLFBSQMISA-N	303.450	3.514	50	20	DHGD	
C[C@]1(CNC(=O)NNc2ccccc2Cl)CC1(Cl)Cl	838669737	YWUDTABJFQOVSR-LLVKDONJSA-N	322.623	3.550	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C1CCC(F)(F)CC1	842520878	SSLOXZCBZUFVFJ-UHFFFAOYSA-N	300.736	3.564	50	20	DHGD	
CCC[C@H](C(=O)NNc1ncccc1F)c1ccc(Cl)cc1	854416983	YAUWQTYJJFXNAO-ZDUSSCGKSA-N	321.783	3.901	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccnc(Cl)c1	855468855	KAIANVGKKYNBCN-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
O=C(NN=C1CC2(CCCC2)C1)c1cc2ccccc2cc1O	901124603	ZKFVJWLTEOXPRW-UHFFFAOYSA-N	308.381	3.985	50	20	DHGD	
CO[C@H]1CCCCC1=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	915952934	ZOFJLTBMFAYYRE-RISCZKNCSA-N	320.458	3.548	50	20	DHGD	
CC(C)[C@@H](CNC(=O)NNc1cccc(C#N)c1)c1ccccc1	916625926	TWTCXIPWSLFJDG-GOSISDBHSA-N	322.412	3.624	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)CNc1ccccc1	920362668	GACNPNOUVNRNDX-UHFFFAOYSA-N	309.413	3.532	50	20	DHGD	
O=C(NCC1(c2ccccn2)CCC1)c1cccc(CCl)c1	1335957316	XCIARZRZENMKFU-UHFFFAOYSA-N	314.816	3.672	50	20	DHGD	
Cn1cccc1[C@@H]1CCCCN1C(=O)C1CCC(Cl)CC1	1349157648	CSYLLZYSBUJRDE-XUJLQICISA-N	308.853	3.876	50	20	DHGD	
CC1(C)CN(C(=O)C2CCC(Cl)CC2)[C@H]1c1cccnc1	1349866969	FLXWXDFNPZNIIT-ZALBZXLWSA-N	306.837	3.789	50	20	DHGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NC1CCCC1	14178350	PBWZSDIOLJDPMF-XYOKQWHBSA-N	308.303	3.671	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	23137875	HEAKJLCUEPMGSE-UHFFFAOYSA-N	313.357	3.550	50	20	DHGD	
C[C@@H](c1cccc(Cl)c1)N(C)S(=O)(=O)CCCCCl	88949757	QNGYHMDUWOOFQF-NSHDSACASA-N	324.273	3.682	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)c1nc(C)cs1)O[C@H](C)C2	96843901	RDHAFZCDSPHDJB-SBALOJEDSA-N	312.394	3.848	50	20	DHGD	
O=C(Cc1cccc2cccnc12)NNc1ccccc1Cl	121857899	OUCBFBHSPBUJQZ-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)c2c(F)cccc2F)c1	134715354	GDLPWPJXBCJBJK-LBPRGKRZSA-N	304.340	3.828	50	20	DHGD	
C[C@H](CCC(=O)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	162956279	BQLDDUYNEALGOT-CYBMUJFWSA-N	313.357	3.622	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)NC1CCCC1	171157969	CCVLUTIQWWPAPN-GXDHUFHOSA-N	323.421	3.776	50	20	DHGD	
Cc1ccnc(NNC(=O)CCCC[C@@H]2CCSS2)c1	176775008	QFUIZGLWKZTCHR-GFCCVEGCSA-N	311.476	3.547	50	20	DHGD	
C[C@H](c1ccccc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188089544	VTPRKKIFJFKTSX-MTOJCTJASA-N	306.365	3.519	50	20	DHGD	
COc1ccc2nc(/C=C\c3cnn(CCCl)c3)sc2c1	206206881	WSDVXWLOIJQFBH-DJWKRKHSSA-N	319.817	3.911	50	20	DHGD	
Cn1c(-c2ccccc2)c(C=NNC(=O)C2CC2)c2ccccc21	254583650	RBFMFKBIZJOQDG-UHFFFAOYSA-N	317.392	3.705	50	20	DHGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1ccc(F)cc1	255009464	OFHCACQMPSHQQJ-WZUFQYTHSA-N	303.239	3.599	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccccc2CCC(F)(F)F)c1	270409585	NDTLSPWUMYQEPI-UHFFFAOYSA-N	323.318	3.642	50	20	DHGD	
Cc1ccc(C)c(OCCC(=O)NNc2cccc(Cl)c2)c1	301240872	OMKDKMYZNAPSMK-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(OC(F)(F)F)c1	727976225	NWCSCEVDSOUQSZ-WQLSENKSSA-N	313.275	3.835	50	20	DHGD	
CCc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)s1	731156428	FAJSRSLRLQNIGR-YBEGLDIGSA-N	317.435	3.957	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2cccc(Cl)c2)o1	732763669	JMMUZVNQSXJRST-IINYFYTJSA-N	302.761	3.820	50	20	DHGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)C1CCCCC1	733078903	YENWVXQOUPWYNG-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
COc1ccccc1-c1ccc(C=NNC(=O)CC(C)C)cc1	741455798	MQIZNQRTJQFJRS-UHFFFAOYSA-N	310.397	3.858	50	20	DHGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	745800327	ZMHGDDZJTURMHD-DGCLKSJQSA-N	310.829	3.720	50	20	DHGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1(C)C	753303004	RYBMITVVRCAXLZ-HIFRSBDPSA-N	317.820	3.893	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccncn2)cc1OCC(C)C	758917717	ZBUCQZBLLFQXAF-NVNXTCNLSA-N	309.369	3.584	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCCc2cc(C(C)(C)C)ccc21	766045332	SWGPYDPNNYQRBV-SQFISAMPSA-N	312.413	3.707	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H]1C	767357145	GFOTYUXYFZOMDW-CHWSQXEVSA-N	310.401	3.619	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1ccc(Cl)cc1O	770197012	DVEDARYJNNBDKS-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(Cl)c(F)c1	770407315	JGOPIBMKYQLGMW-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1[N+](=O)[O-]	770566971	CGPVUSJBASBZSH-XYOKQWHBSA-N	320.308	3.544	50	20	DHGD	
C[C@H]1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	771462897	LCDLXAYDLBHCGI-YHIRLIAMSA-N	311.385	3.971	50	20	DHGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1cc(Cl)ccc1Cl	773460410	ZJGPWGNEZGDQFZ-SECBINFHSA-N	318.248	3.603	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1c(F)cc(Cl)cc1F	775384223	DIZVAWYXOMBBSC-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])c(Cl)c1	775418396	XRGXXDVWVBBRMO-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2ccccc2Cl)cc1C	776028574	UCVVZZQXSMXXDB-JTQLQIEISA-N	321.812	3.965	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CC(C)(C)OC2(C)C)c(C)c1	779379425	CTCBIOTUHSEWQY-CQSZACIVSA-N	319.449	3.584	50	20	DHGD	
CS[C@@H]1CCC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	781092273	SVNROLDKZOXKFI-GMTAPVOTSA-N	322.312	3.586	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790585354	OENNDYPRDPMORP-LLVKDONJSA-N	311.357	3.784	50	20	DHGD	
N#C/C(=C\c1nc(-c2ccccc2)cs1)C(=O)C1CCOCC1	794959549	XYCIUQDSQKIGGU-XNTDXEJSSA-N	324.405	3.713	50	20	DHGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)ccc1C#N	799494458	BZUKCQJCIVJISU-NVNXTCNLSA-N	305.293	3.539	50	20	DHGD	
COc1ccc(NNC(=O)/C(C)=C/c2ccccc2Cl)cc1	810345806	RFOQXECOBUJQSF-VAWYXSNFSA-N	316.788	3.895	50	20	DHGD	
ClCCCOc1ccc(CN2CCc3ncsc3C2)cc1	811493315	GVCHTAAGORZOLE-UHFFFAOYSA-N	322.861	3.709	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(Cl)n2)c(Cl)c1	814482442	BJQHMTLKLXXDCR-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC[C@@H](C(=O)NNc1cccc(Cl)n1)c1ccc(F)cc1	817011634	CLCUIXJOTHWAOG-GFCCVEGCSA-N	307.756	3.511	50	20	DHGD	
COCC(C)(C)N(C)C(=O)CCCC[C@H]1CCSS1	817030529	WUSGERUUPDWRCL-LBPRGKRZSA-N	305.509	3.584	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1ccc(Cl)nc1	819886057	OWJHOIKMTJJIEU-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
CN(NC(=O)c1cc2cccc(Cl)c2o1)C(=O)OC(C)(C)C	838370176	PKAASCPGYIHZQH-UHFFFAOYSA-N	324.764	3.598	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@H]1CCC(F)(F)C1	838574464	GFXVDUWXGZPKCJ-SNVBAGLBSA-N	317.767	3.710	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC(C)C)c(OC)c1)[C@@H]1C[C@@H]1C	841612278	HLLTXCOHOAYFQP-GXTWGEPZSA-N	318.417	3.634	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C[C@H](C#N)CCC#N)C1	844335043	IQNPAOSSEWQHCJ-HOTGVXAUSA-N	321.541	3.916	50	20	DHGD	
CCn1ccc(COC(=O)CCCC[C@H]2CCSS2)n1	845079035	CFUAXRHBWUKLEH-ZDUSSCGKSA-N	314.476	3.660	50	20	DHGD	
Cc1noc([C@H](C)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	852522476	JSTRXZUICMVUPZ-WCQYABFASA-N	311.502	3.535	50	20	DHGD	
Cc1csc(C(C)(C)NC[C@H](CBr)C2CC2)n1	859193498	YHDNDYJOKAFCMO-NSHDSACASA-N	317.296	3.697	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N(Cc1ccoc1)C1CC1	889093532	SSHLQUXYQPDQGY-GFCCVEGCSA-N	314.223	3.580	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccnc2ccccc12)C1CCCCC1	905074924	ZIJXJDRCQDELCB-SSZFMOIBSA-N	319.408	3.933	50	20	DHGD	
COc1ncccc1C(=O)NN(c1ccccc1)c1ccccc1	906466317	APRZDUKAFVJBHM-UHFFFAOYSA-N	319.364	3.573	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1cccs1	916334744	FRNNKTXNTMWMMW-LLVKDONJSA-N	320.389	3.585	50	20	DHGD	
CCCCC(C)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	916340357	HWDVZWUHJCFONE-AWEZNQCLSA-N	306.406	3.535	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H](C)c2c(C)noc2C)ccc1Cl	928341184	RDEOKIJCKLNTLK-SNVBAGLBSA-N	321.808	3.890	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)Nc1cnn(C2CCC2)c1	934300950	MIYFAISZWPHAKI-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
O=C(NCc1nc(C2CC2)cs1)c1cccc(CCl)c1	1262614234	AYIWFCPNPJILFK-UHFFFAOYSA-N	306.818	3.689	50	20	DHGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNC(=O)CC(C)(C)C	1320138300	HTCLQXBUXCDPDA-UHFFFAOYSA-N	311.813	3.546	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	1326079606	FEWSRQORHFUOCI-FPLPWBNLSA-N	310.140	3.944	50	20	DHGD	
N#Cc1ccc(NC2CC2)c(NC(=O)C2CCC(Cl)CC2)c1	1528382792	FWHDYFNRECWQKT-UHFFFAOYSA-N	317.820	3.869	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccnc1Cl	3608233	FMYOTHNEYZXAQS-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2Cl)oc2ccccc12	114885006	NKUDXDDIDHDCNS-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1nc(C(F)(F)F)cs1	152993800	NCLBFZSXHSPPGA-UHFFFAOYSA-N	309.357	3.677	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)c1	176754477	PMXQHJOGULJWPY-QZTJIDSGSA-N	317.392	3.790	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H]2C[C@@H]2c2cccc3ccccc23)c1	176758973	MMYLEABYZUXQJG-QZTJIDSGSA-N	317.392	3.790	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1	180696754	MZCINHHIXJBRLJ-DHZHZOJOSA-N	313.338	3.510	50	20	DHGD	
Cc1cc(Cl)ccc1/C=C(\C#N)C(=O)Nc1nccs1	184748694	ISNLMAAPYLBZIN-YRNVUSSQSA-N	303.774	3.651	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3cccc(F)c3)n2c1	193162573	NFFAJHFWZTYHQX-RIYZIHGNSA-N	305.312	3.572	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)c2cccc(C3CCC3)c2)c1	293926502	MLOOYZLUEJYDEF-UHFFFAOYSA-N	323.396	3.669	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	726430185	PZPZYYLEAYCYHG-CAXXOGMASA-N	308.175	3.677	50	20	DHGD	
CC(C)CC[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(C#N)c1	727945893	VXODDCOQCPNXNS-DOTOQJQBSA-N	314.433	3.789	50	20	DHGD	
C[C@H](C=NNC(=O)NCc1ccc(Cl)cc1)c1ccccc1	732927411	LPKALOLZXOIXAM-CYBMUJFWSA-N	315.804	3.929	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2cccc3cccnc23)c1	747357371	OJZZIKUEQVKLFW-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
C=CCCC(=NNC(=O)c1cccc(OC(F)F)c1)C1CC1	747751146	IGBLIHDGHURAKI-UHFFFAOYSA-N	308.328	3.750	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(C(F)(F)F)cc1	748822464	LSAZSFSCGSZRCO-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(O)c(C)c1	749818383	WACNHQUUYWWDEX-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C(C(C)C)C2CC2)c1C	750930216	ILCVUUMEPHYAMC-CQSZACIVSA-N	302.418	3.609	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2ccc(Cl)nc2)cc1	752623406	FKPUNWRRLQGWCW-UHFFFAOYSA-N	321.833	3.533	50	20	DHGD	
CC[C@@H](C)N(CCI)Cc1ccccc1	759327486	KKTXBSNWWDHVDK-GFCCVEGCSA-N	317.214	3.722	50	20	DHGD	
Cc1sc(Cl)nc1C(=O)NNc1ccccc1Cl	762895911	BYCJOPYVMMSKCM-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
Cc1cc(C(=O)NNc2c(C)cccc2F)c(C(F)(F)F)o1	771702227	WQIQZJPOTFUDHJ-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
N#CSCCCNC(=O)Cc1csc2ccc(Cl)cc12	773593567	LKBSYCRHFQQZHR-UHFFFAOYSA-N	324.858	3.818	50	20	DHGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)C(F)F	786037308	PMINWUZVGCWNFT-UHFFFAOYSA-N	306.765	3.556	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2C)c1	786056298	OUDZGLDVAALZRF-LICLKQGHSA-N	308.356	3.666	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1c(C)coc1C	786427832	UXVXQCLIJBBMER-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](C)c2cccc(C)c2)ccc1Cl	790177062	XTMILCCIJFDNMK-LBPRGKRZSA-N	318.804	3.904	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](c2cccc(C)c2)C1	790881851	IHDPXGHJBJJWRL-AWEZNQCLSA-N	310.488	3.505	50	20	DHGD	
C[C@H]1COCCC1=NNC(=O)c1cc2c(s1)CCCCCC2	794479387	FMHSXLZIMPOARA-LBPRGKRZSA-N	320.458	3.549	50	20	DHGD	
O=C(NN=Cc1ccc2occc2c1)c1ccc2ccccc2n1	794855813	AIKQMTRIDBYKOK-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CCCN(N=Cc1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C	794998840	WJQHUFDNQZILGL-UHFFFAOYSA-N	307.350	3.576	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C[C@@H](C)C(C)(C)C)cc1	800807847	IJHAZXVCEAGMIZ-KGLIPLIRSA-N	320.433	3.637	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1	802021463	PECYJHNBPCSREB-LLVKDONJSA-N	311.813	3.565	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ncsc1C(F)(F)F	802563617	SYRJNYDYWCRNTE-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc(C(C)C)oc2C)c1	802832076	HDIDAZKZRIFJSL-UHFFFAOYSA-N	306.337	3.616	50	20	DHGD	
CCCN(NC(=O)CCc1ccccc1C)C(=O)OC(C)(C)C	804596079	ULCRHVMFFRBKGR-UHFFFAOYSA-N	320.433	3.606	50	20	DHGD	
C[C@H](O)C[C@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808753797	CVTXKYDDGFURLY-LSDHHAIUSA-N	301.547	3.634	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1cc(C2CC2)ccn1	810325929	ZZSZTEFJGPCFDK-UHFFFAOYSA-N	302.765	3.761	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ncccc2F)cc1Cl	811522167	DBPHXUHHWQLLTE-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cn1	812242891	XTZHXHOPESYZNT-YHYXMXQVSA-N	303.680	3.846	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(C(F)F)CCCC1	813495561	FBBRLPJTXMZQQD-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1ccc(Cl)cc1Cl	827170404	SQCJKPGOICWHME-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
CCC[C@H](C(=O)N1CC=C(C#N)CC1)c1ccc(Cl)cc1	831487765	FSAOMLGQFIAHDO-INIZCTEOSA-N	302.805	3.906	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CC(C)(C)C1CC1	840544855	KMCFMLLMYQTEHJ-UHFFFAOYSA-N	310.829	3.523	50	20	DHGD	
CC[C@H](NC[C@H](CBr)C1CC1)c1nc(C)cs1	859247365	ULOSLEXKIWAEBZ-RYUDHWBXSA-N	317.296	3.913	50	20	DHGD	
C[C@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)C[C@H]2CC[C@H]1C2	862041644	CMMYWZLACVCKOC-FZNYLWTLSA-N	314.216	3.658	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1ccc(N2CCCCC2)cc1	914836197	DQJCUAZNXAPXIH-UHFFFAOYSA-N	313.445	3.707	50	20	DHGD	
CCCC(=NNC(=O)CNc1ccccc1F)c1ccccc1	915918863	COPXWBHXBSSYKD-UHFFFAOYSA-N	313.376	3.558	50	20	DHGD	
CC(C)Cc1ncc(C(=O)NNc2ccccc2Cl)s1	935022714	XWZBQMRVIJQPEQ-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(OCC#N)c1	1317946020	JLUPOOHIYXWAOJ-LFIBNONCSA-N	302.333	3.687	50	20	DHGD	
CC(C)[C@@H](C#N)C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	1319380768	KSCIBYKTPKIJDR-YOEHRIQHSA-N	323.396	3.505	50	20	DHGD	
Cc1csc(C(C)(C)NC(=O)C2CCC(Cl)CC2)n1	1348860054	DZAKGLSPMBCUHP-UHFFFAOYSA-N	300.855	3.600	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cc2[nH]c(C(=O)O)cc2o1	1777465071	BLIDOHNKYIDULL-IZZDOVSWSA-N	320.304	3.557	50	20	DHGD	
N#CC(C#N)=Cc1ccc(Oc2ccc(F)cc2)c([N+](=O)[O-])c1	28699903	JAAVMKXZICYPGX-UHFFFAOYSA-N	309.256	3.957	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1OCC	32798994	QQAQEXVVLCLREQ-RVDMUPIBSA-N	311.381	3.619	50	20	DHGD	
CCN(CC)[C@@H](C(=O)NNc1cccc(C)c1)c1ccccc1	109427717	PFOPRXVIGIOILL-GOSISDBHSA-N	311.429	3.521	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCOc1ccccc1Cl	119107888	FXAPEYFWUNQJRU-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C(C)C)c(C)n1CC(C)C	121514281	MGZNXSCCTPGVPE-MFOYZWKCSA-N	301.434	3.535	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2csc(-c3ccco3)n2)c1	127949958	IUABTAOUBFCHED-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@@H](c1ccccc1)C1CC1	130240266	CDYWMSHTVWKNLG-IBGZPJMESA-N	317.392	3.872	50	20	DHGD	
Cc1noc(C2CC2)c1C(=O)NNc1ccc(C(C)(C)C)cc1	133591734	ADVZLWNLBMXMOK-UHFFFAOYSA-N	313.401	3.915	50	20	DHGD	
O=C(/C=C/c1ccccc1OC(F)(F)F)NNc1ccccc1	151224684	VKRAUCOWBSFKIW-ZHACJKMWSA-N	322.286	3.742	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1c[nH]c2ccccc12	184292381	NVPOQOFNKNMQTI-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
Cc1cccc(NNC(=O)c2sc(C(C)(C)C)nc2C)c1	264609300	NSQZJBSTVMNWNQ-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
CN(Cc1cccs1)C(=O)[C@H](Br)C(C)(C)C	274282285	DHZWCIARQTXKCJ-JTQLQIEISA-N	304.253	3.516	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCC(F)(F)C1	282411075	DLKCYXWRNWVDPO-VIFPVBQESA-N	322.277	3.974	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cccc3ncccc23)cc1	730146228	LBGJSGZKNNMCGK-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
CC[C@@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C1CCC1	734748567	RLMPGSDDMDMKSS-CYBMUJFWSA-N	319.424	3.558	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2	741468591	FTZYWYZGUJPMPF-STCRIKGOSA-N	305.761	3.981	50	20	DHGD	
Cc1ccc2c(c1)CCC2=NNC(=O)c1cccc2cccnc12	747356872	IEQJTWGBJFJNHN-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1c(C)nc2ccccn12	748245345	YAFHOARHXURHAL-GFCCVEGCSA-N	300.406	3.575	50	20	DHGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1(C)C	748666420	MTSHHCHJKFXPOK-DOMZBBRYSA-N	317.389	3.585	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]1Cc1ccccc1	752316366	XFNGIMHZEVECFS-HSNFWNHWSA-N	319.364	3.776	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC12CCC2	752740872	SIZNLBAFVFACSH-VQCBNXJZSA-N	312.388	3.771	50	20	DHGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC(C)(C)C1	753029490	LWABFEZAPCWTTD-ATDKOCKZSA-N	300.377	3.627	50	20	DHGD	
N#C/C=C\COc1cc(OC/C=C\C#N)c(Cl)cc1Cl	763296853	ASSPQCVVTVURRF-CCAGOZQPSA-N	309.152	3.911	50	20	DHGD	
Cc1cc2c[nH]nc2cc1NC(=O)[C@H](Br)C(C)(C)C	767942096	VQBVSHKAQUYPME-LBPRGKRZSA-N	324.222	3.619	50	20	DHGD	
C[C@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC12CCC2	768385147	SFTKLVFOCVSWHQ-NWDGAFQWSA-N	316.283	3.835	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2ncccc2Cl)c(C)c1	769923430	MZQLADNFHCQRHA-UHFFFAOYSA-N	304.781	3.809	50	20	DHGD	
C=CCOc1cccc(NC(=O)NNc2c(C)cccc2F)c1	771136562	XQFZQSMSPMFFOA-UHFFFAOYSA-N	315.348	3.848	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1coc2ccccc12	771324181	NBFBEIMMQWCIBL-UHFFFAOYSA-N	313.332	3.707	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)c1ccccc1F	780159958	STLUCENOCJGINF-QGZVFWFLSA-N	308.397	3.583	50	20	DHGD	
C[C@@H](Cc1ccccc1)n1cccc1C(=O)N1CC=C(C#N)CC1	780690344	TXKGIXSHQFHNIA-INIZCTEOSA-N	319.408	3.588	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@@H]2CCCC[C@H]12	786941961	PHIKOLIHSHLKEM-FYVLGWIJSA-N	324.424	3.726	50	20	DHGD	
CCCN(N=C(C)c1ccc(O)c(F)c1)C(=O)OC(C)(C)C	794996240	CAHNFJIBRKRONP-UHFFFAOYSA-N	310.369	3.902	50	20	DHGD	
CCCN(N=C1CCCc2cccnc21)C(=O)OC(C)(C)C	794997608	ACIFPZWCAWKMMY-UHFFFAOYSA-N	303.406	3.769	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](c2cccnc2)C(C)C)c(C)c1	797949475	UKJIAKNVMAMSRB-QGZVFWFLSA-N	311.429	3.890	50	20	DHGD	
COc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1C#N	799497924	DGRWAAXEGBKAHP-NVNXTCNLSA-N	312.332	3.574	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)c1ccccc1F	799757235	ZVAUXTVOJJAGJH-CYBMUJFWSA-N	300.377	3.943	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1CN1CCCC1	808719366	WVJLOJRDAAYNLD-MRXNPFEDSA-N	312.574	3.568	50	20	DHGD	
CC(C)c1scnc1C(=O)NNc1ccc(C#N)c(Cl)c1	811030267	JJSJEWBMZIRGTE-UHFFFAOYSA-N	320.805	3.548	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)o1	812246054	BWEACNHOBCNMQD-TWGQIWQCSA-N	322.242	3.544	50	20	DHGD	
COc1cc(NC(=O)NN=CC(C)(C)C)c(OC)cc1Cl	814994893	FBKHZGSZGDFRLQ-UHFFFAOYSA-N	313.785	3.511	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(Br)cc2)CC=CCC1	827506049	JONXTATZDBHXAK-CQSZACIVSA-N	309.207	3.639	50	20	DHGD	
Cc1ccc(NNC(=O)C2(C(F)F)CCCC2)c(Cl)c1	836934578	AWXZTGHEOLEMDA-UHFFFAOYSA-N	302.752	3.917	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)[C@@H]2CCO[C@@H]2C)c1	842552204	BEFWHIRJTVPNEH-DNVCBOLYSA-N	322.408	3.537	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1F	844272088	SXTNUMDBIHCWIV-KPKJPENVSA-N	305.349	3.755	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1nccc1-c1cccnc1	853663167	UVHJEEYMXGCVNK-UHFFFAOYSA-N	303.482	3.967	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(Cl)cn1)c1ccccc1	856095178	GNDAVMYSZYPBLB-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
C[C@H](NNC(=O)C(C)(C)c1cccc2ccccc12)C(F)(F)F	862320030	DONLASIEPNQGEV-NSHDSACASA-N	324.346	3.689	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccc(F)c(F)c1	885113387	YRILPFUPPKSEDC-WDEREUQCSA-N	308.353	3.582	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1	915843772	ZTGQRRBNWFTGFE-AJYVVATJSA-N	324.424	3.853	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccccc1OC(F)F	916291932	JOGDOCSMKARDGS-UHFFFAOYSA-N	322.286	3.581	50	20	DHGD	
Cc1csc([C@@H](C)NC(=O)NNc2ccc(Cl)c(C)c2)n1	916492945	FTMVBBOMWRBSPL-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	916583479	GMQVEQSFABHHPX-FDZNKFEOSA-N	319.836	3.791	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(Cl)c(Cl)c1	917550999	PIMCZFQZKAAJQL-UHFFFAOYSA-N	313.106	3.786	50	20	DHGD	
Cc1ccc(SCC(=O)NN(C)c2ccccc2)c(C)c1	920862237	UCMVXKJAAQSSDX-UHFFFAOYSA-N	300.427	3.563	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cn2cc(C)c3ccccc32)c1	1252944831	PVNAUTIVPCHWFQ-UHFFFAOYSA-N	311.360	3.541	50	20	DHGD	
CCOC(=O)c1cc(-c2ccccc2)ccc1NC(=O)CCl	1253963018	ISKPKADRKLTBDE-UHFFFAOYSA-N	317.772	3.708	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ncc(Cl)s1	1326819439	OYZGRVYFWMPXON-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
COc1nc(Cl)c(/C=C(\C#N)c2nc(C(C)C)cs2)n1C	1330693516	BOEVGKUEIGBOFG-WEVVVXLNSA-N	322.821	3.726	50	20	DHGD	
CCCO[C@@H]1CCCN(C(=O)C2CCC(Cl)CC2)CC1	1345921519	PCYZXOWMGDXWJE-YMAMQOFZSA-N	301.858	3.592	50	20	DHGD	
O=C(Nc1ccc(-c2nc3ccccc3[nH]2)cc1)[C@@H](F)Cl	2088605132	LTQGUQCYRRYKCW-CYBMUJFWSA-N	303.724	3.703	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)cc(C)c2)cc1	67006309	IMWDHSIXORGFLG-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cc(Cl)ccc1Cl	72054966	CHXMOCBYXLIWTM-UHFFFAOYSA-N	320.176	3.555	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(-c2ccc(Cl)cc2)on1	111552964	AYNBWHPCGVMZNI-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc(F)cc2cccnc12	119121978	IQHPRLKIJZCFFE-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1ccc(-c2nc(C(=O)NNc3cccc(F)c3)cs2)o1	155052247	ROJBQJHAAHZOSX-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2c(C)[nH]c3ccccc23)c1	159276562	KCRQXBNHDWPSSY-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	171818875	VWRIYKFGPIGWKO-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
CCCO[C@@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)CC1	175440458	NFDHVEHIWDLPCL-LGEORROZSA-N	302.393	3.971	50	20	DHGD	
Cc1cccc(CCNC(=O)CCCC[C@H]2CCSS2)n1	280131407	SQLDDXBUDSIECQ-HNNXBMFYSA-N	324.515	3.763	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CC1(F)F	297721192	GJHAUGJXXVNTNK-GFCCVEGCSA-N	310.369	3.978	50	20	DHGD	
C[C@@H](Cc1ccsc1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490842772	MEQVASBHDDKDPD-DGGAMASNSA-N	314.385	3.542	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)CCCc1ccccc1	729638816	GYBGKIPTHHIHTO-UHFFFAOYSA-N	300.427	3.806	50	20	DHGD	
COc1cc(C(C)=NNC(=O)C(C)C)ccc1SC(F)F	746486135	XDNOCPQJUDWDPX-UHFFFAOYSA-N	316.373	3.506	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2cn(-c3ccccc3)nn2)n1	747440517	QDIHKAPRCIAAFA-MDWZMJQESA-N	321.409	3.911	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)c1cccc2ncccc12	755699479	GERDTAOPWXSPFO-MAUKXSAKSA-N	315.376	3.754	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc2c(c1)CCC2	758154822	BGSNCZGSBJDQJL-UHFFFAOYSA-N	301.777	3.977	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)c1ccc2sccc2c1	761576478	UOTVIIUEEGNPBR-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccc(F)cc1	766751992	OLJHQHMJWVHVOJ-LLVKDONJSA-N	303.171	3.679	50	20	DHGD	
C[C@@H](c1cc(F)ccc1F)N(C)C[C@@H](C)CBr	770648276	RAJXANWNIYYPEU-UWVGGRQHSA-N	306.194	3.989	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCSc1ccccc1	771700044	CLHJJTXHZXXLBQ-UHFFFAOYSA-N	304.390	3.760	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCNc2ccccc21)c1ccccc1	774385933	UKIJPMMIARMCSW-MRXNPFEDSA-N	321.424	3.906	50	20	DHGD	
O=C(NNc1cccc2cnccc12)Nc1ccc(F)c(F)c1	775387807	JVTARYMJXQLYAL-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
Cc1ccccc1OCC(=O)NNc1ccc(C(C)(C)C)cc1	780804865	MIIHSZAOQQDDTD-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
CC(C)C(=O)NNC(=O)Nc1ccc(SC2CCCC2)cc1	782552457	GHEYBPQXFZSYPI-UHFFFAOYSA-N	321.446	3.530	50	20	DHGD	
Cc1noc(C)c1CN(C)Cc1ccc(OCCCCl)cc1	788844101	VGOGWOOJSURQGG-UHFFFAOYSA-N	322.836	3.931	50	20	DHGD	
O=C(NN=Cc1ccc2occc2c1)c1c[nH]c2ccccc12	794858598	OUDQUBKXHJHQSF-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(Br)c1	797338733	XUIYHLNJDCMSTR-LCYFTJDESA-N	321.218	3.662	50	20	DHGD	
Cc1nc(-c2ccc(C(=O)NNc3ccccc3)cc2)cs1	799704977	PFBBDULKVXYBKW-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(F)c(F)cc1F	799755269	ARZBKTJOXYBTRF-UHFFFAOYSA-N	308.303	3.732	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1O	809146511	QCMFEUJBOSKRCC-SXGWCWSVSA-N	307.349	3.808	50	20	DHGD	
O=C(Cc1cccc(Cl)c1F)NNc1cccc(Cl)c1	810021891	QGPXAUKEPSLWGD-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
C[C@H](CNCc1ccc(OCCCCl)cc1)N1CCCCC1	811475003	GWMABAWNRFAVKV-MRXNPFEDSA-N	324.896	3.658	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)c1ccc([N+](=O)[O-])cn1	812242890	XTZHXHOPESYZNT-BJMVGYQFSA-N	303.680	3.846	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC(c3ccc(O)cc3)CC2)n1	814921480	ODPXSGFYUOMQTL-UHFFFAOYSA-N	323.396	3.539	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(C)n(Cc2ccccc2)c1C	819806733	ZHKHCBBPCGTEHF-CQSZACIVSA-N	311.429	3.649	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1	833774056	KRFZIWCYGUNAOZ-VIFPVBQESA-N	311.769	3.518	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c(Cl)c1	836937834	OKYXETUQTIXLDN-BBRMVZONSA-N	324.852	3.933	50	20	DHGD	
CC(C)Oc1cncc(C(=O)NNc2ccc(C(C)C)cc2)c1	837052320	BMUHDECLQNPIFT-UHFFFAOYSA-N	313.401	3.749	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1CC2(CCC2)C1	843830240	BOANFRKRKVOEQU-UHFFFAOYSA-N	314.307	3.609	50	20	DHGD	
Cc1cnc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)cn1	844335132	ATPWAXCSQWPKTE-INIZCTEOSA-N	321.541	3.771	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618823	SAGPTGQVBWQJSG-QMTHXVAHSA-N	314.788	3.518	50	20	DHGD	
C[C@]1(CNCc2cc(F)cc3cccnc23)C[C@H]1Br	856806759	HWJCBPQYEZTFPM-UKRRQHHQSA-N	323.209	3.637	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(Cl)cc1O	857081592	HBNCSZWDYXQWKL-CKLFPEKLSA-N	318.642	3.870	50	20	DHGD	
CC1(CC(=O)NC[C@]2(C)C[C@H]2Br)CCCCC1	857395424	XQXIDPWRNPXYHI-RISCZKNCSA-N	302.256	3.637	50	20	DHGD	
BrC[C@@H](CN1CCC[C@@H]1c1ccccn1)C1CC1	859160370	IEIKLHPNBOXLMW-DZGCQCFKSA-N	309.251	3.640	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2cccc(Cl)c2)C1)c1cn[nH]c1	863154297	VCEYHMOXCWHBRN-LBPRGKRZSA-N	316.792	3.507	50	20	DHGD	
CCC[C@@H](CC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	874329574	UFFBREAXESSCFB-SECBINFHSA-N	317.216	3.581	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccc(F)c(F)c1	885113386	YRILPFUPPKSEDC-QWRGUYRKSA-N	308.353	3.582	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	885127305	QHDHQXWWKQRDLN-WCQYABFASA-N	322.836	3.733	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	899352687	NMWRYDZBMHTULE-NTUHNPAUSA-N	310.353	3.778	50	20	DHGD	
C[C@H](NC(=O)[C@]1(C)C[C@H]1Br)c1cc2ccccc2o1	907644090	KWHSBFMJWFXZHH-JBCWJZNQSA-N	322.202	3.784	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cc2ccccc2cc1O	917023055	DBZKRDNDMBWVID-UHFFFAOYSA-N	322.364	3.877	50	20	DHGD	
COCC[C@@H](NC(=O)c1cccc(CCl)c1)c1ccco1	1338948485	KJZUQJRRPVECKE-CQSZACIVSA-N	307.777	3.526	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc(F)c(C(=O)O)c2)sc1C	1777489393	DEKXHWUWHYNEJE-WZUFQYTHSA-N	302.330	3.661	50	20	DHGD	
COc1cc(C(=O)NN=C2CCCCCC2)ccc1OC(C)C	6687209	NBTHQNMIEBBEFX-UHFFFAOYSA-N	318.417	3.922	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NC3CC3)s2)cc1	63845565	AUXKYUMMDOVUJU-UVTDQMKNSA-N	308.406	3.909	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1	101800281	BJEQKPRESZMWPZ-SDQBBNPISA-N	307.777	3.966	50	20	DHGD	
Cc1ncc(C(=O)NN=C(c2ccccc2)c2ccccc2)s1	109704920	VZEVYAVPJLJRNQ-UHFFFAOYSA-N	321.405	3.634	50	20	DHGD	
O=C(NNc1ccccc1)c1cnn(-c2ccccc2)c1C1CC1	111555654	VMSGPABTDALXMC-UHFFFAOYSA-N	318.380	3.507	50	20	DHGD	
CCCCSCCC(=O)NNc1ccc(OC(F)F)cc1	123164926	XSPSMAFDDIELNI-UHFFFAOYSA-N	318.389	3.655	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2occc2[nH]1	133015589	AKESZDBYBYBCFD-UHFFFAOYSA-N	309.247	3.537	50	20	DHGD	
O=C(Cn1ccc2ccc(Cl)cc21)NNc1cccc(F)c1	154724543	PHRHXPBJVFWWRB-UHFFFAOYSA-N	317.751	3.577	50	20	DHGD	
CC1(CC(=O)NNc2nc(C(F)(F)F)cs2)CCCCC1	157258894	JVYYIHDYGNVKHS-UHFFFAOYSA-N	321.368	3.966	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2ccccc2Cl)cc1	158260928	RKYQIRGTXMXMOG-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	176153557	VMFHXRDBYKNWOZ-LLVKDONJSA-N	320.339	3.899	50	20	DHGD	
CC(C)C1(C)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	194878924	CJECTPKAVHVRAT-VBKFSLOCSA-N	312.413	3.584	50	20	DHGD	
N#C/C(=C\c1ccc(-c2cccc(F)c2)s1)C(=O)NC1CC1	195172087	FZOHWFMNMXAGTH-FMIVXFBMSA-N	312.369	3.740	50	20	DHGD	
COc1ccc([C@@H]2CCCN2C[C@H](C)CBr)cc1	248791527	YARGZHIVOJCSNT-DOMZBBRYSA-N	312.251	3.863	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(Cl)cc2)nc1	295520188	RYGNTGVPJXGOCR-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1	303848530	JRAVTFGYUSKSRY-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1	490980012	ZRJYBAYZGPQCII-DHZHZOJOSA-N	317.389	3.649	50	20	DHGD	
Cc1cc(C=NNC(=O)C(C)(C)c2ccccc2)c(C)n1C1CC1	731151139	RPNSIYMHTHYLEG-UHFFFAOYSA-N	323.440	3.868	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1c(F)cccc1F	731152472	JNWMHTQYEIYYGJ-UHFFFAOYSA-N	316.351	3.783	50	20	DHGD	
O=C(NN=C1CCCCCCC1)c1cnn(-c2ccccc2)c1	733078907	YLZZHMYOVRBWKH-UHFFFAOYSA-N	310.401	3.702	50	20	DHGD	
C=CCCCOC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	735525690	MMIGCGGBLZPAOH-SFQUDFHCSA-N	300.402	3.931	50	20	DHGD	
O=C(NCCc1cccs1)NN=C1CCC[C@H](C2CC2)C1	737430018	IMLZLZWVXXBOOU-ZDUSSCGKSA-N	305.447	3.546	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(OC2CCC2)cc1	743336325	HPJCWEVRQACZPY-UHFFFAOYSA-N	318.323	3.653	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)C12CCC2	747646402	QCRIMUHEWSRPEO-AWEZNQCLSA-N	324.783	3.544	50	20	DHGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	747766568	SQMPSUFAGBRAQF-NSHDSACASA-N	316.430	3.680	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(F)cc2C)c(C)c1	748563229	ZRJQRIRCQQXGGM-UHFFFAOYSA-N	300.377	3.827	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCC[C@H](C)C2)c1	750093172	YUMYPZYODPWTPK-JSGCOSHPSA-N	319.474	3.529	50	20	DHGD	
C=CCOc1ccc(C=NNC(=O)c2ccc(C)o2)cc1Cl	752172235	HFTRNIVLUAUPJE-UHFFFAOYSA-N	318.760	3.570	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cc(Cl)c(N)c(Cl)c1	754700219	HLHNYSIGJYCQSU-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756018271	TVLOZFPIIYRCLO-HZSPNIEDSA-N	317.389	3.644	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccccc1F	766749985	QSFYWGVOOFGWFM-LLVKDONJSA-N	303.171	3.679	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1cccc(Br)c1	769605622	LYJHWZZWUGEYNU-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1cc(F)ccc1F	771094517	LFDXPMUWTIGUIO-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)Cc1ccccc1	771696771	ABJVEVULQSHIBT-UHFFFAOYSA-N	300.377	3.846	50	20	DHGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	775887368	OHMHVLQEPRPVPI-YGRLFVJLSA-N	318.314	3.970	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)cn2)cc1	780803714	NISJQLKEEUTMHZ-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1Cl)C(=O)C1CCCC1	783687425	IWDVLVCWOXPFAW-KPKJPENVSA-N	304.733	3.914	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(Cl)nc1)c1ccsc1	785453689	SEXFQMVZOJAPSS-UHFFFAOYSA-N	307.806	3.731	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1OC(F)F	799758079	VXUSOHCQHUCGID-UHFFFAOYSA-N	320.339	3.916	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C1CCC12CCC2	799887313	STVYFHDNBZAJTN-NSHDSACASA-N	306.793	3.544	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C2\COc3ccc(F)cc32)cc1C	809160346	NELYUMILAQVBRB-WUKNDPDISA-N	307.324	3.995	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cn(C)nc2C(F)F)c1	812241191	FEEUXSWSCHMFPP-QPEQYQDCSA-N	315.323	3.764	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(F)ccc2OC)c1	812241922	ORLFYCLJMWVVOM-ZSOIEALJSA-N	311.312	3.633	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCCCCC(=O)C1	813560620	IGDKWBLZTLMMMS-HNNXBMFYSA-N	302.418	3.540	50	20	DHGD	
CC1(C)CC(=NNC(=O)CSc2nc3ccccc3s2)C1	814724526	ZIEFPBXHYFSUQZ-UHFFFAOYSA-N	319.455	3.681	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1cnn(-c2ccccc2)c1	814850235	FJPRQKYOSWPAKH-UHFFFAOYSA-N	310.401	3.724	50	20	DHGD	
Cn1c(NNC(=O)CC/C=C\c2ccccc2)nc2ccccc21	816577800	ANUYTFAOFANQEW-WZUFQYTHSA-N	320.396	3.510	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C(=O)O)c(Cl)c1)C1CCCC1	833411331	CLCNYIHJDKTXNB-UHFFFAOYSA-N	324.808	3.698	50	20	DHGD	
Cc1ccncc1CNC(=O)CCCC[C@H]1CCSS1	834349776	MJULXHXIWVLPHF-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1c[nH]c(C(F)(F)F)c1	834412819	SNMXRIDPEXFNKJ-GHXNOFRVSA-N	313.323	3.637	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C(C)(C)c1c(C)noc1C	836936565	NNBUHQOYGLVROK-UHFFFAOYSA-N	321.808	3.674	50	20	DHGD	
COCCC1(C(=O)NNc2ccc(C(C)C)cc2)CCCC1	837054513	SBTDPCAZHGDXRJ-UHFFFAOYSA-N	304.434	3.850	50	20	DHGD	
CCOC1CCC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	853267767	BPVXLUSIOGDZIQ-UHFFFAOYSA-N	318.461	3.654	50	20	DHGD	
Cc1cc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)ccn1	856759474	OUGPVSJWVXLENR-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
COc1ccc(NNC(=O)[C@@]2(c3ccccc3)CC2(C)C)cc1	857115858	QUAGEQQUCKRNJM-IBGZPJMESA-N	310.397	3.506	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1c(Cl)cc(F)cc1Cl	860520230	UILWFRVEOXWWIK-UHFFFAOYSA-N	318.179	3.906	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1cc(F)ccc1F	885142755	ILRRGXKYQZMURY-WDEREUQCSA-N	308.353	3.582	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)[C@]2(C)C[C@@H]2Br)c(C)s1	906068470	ZCDYZCDIYKOLDI-LJUAHTATSA-N	316.264	3.716	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@H]2CCCC[C@@H]2C1	915931052	DWLHGTJQDRUJLD-HUUCEWRRSA-N	324.428	3.719	50	20	DHGD	
O=C(Oc1cc(Cl)c([N+](=O)[O-])cc1Cl)OC1CCC1	922019614	MDSBBBDVTKMXLA-UHFFFAOYSA-N	306.101	3.970	50	20	DHGD	
Cc1cc(NNC(=O)c2cccnc2C2CC2)ccc1Cl	928340494	ZWNHDIXHMKBQOT-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
BrC[C@H](CN[C@H](c1ccccn1)C1CC1)C1CC1	932387725	ZKNCCUDEKHVSLM-HIFRSBDPSA-N	309.251	3.543	50	20	DHGD	
CC(C)Cc1ccc(C(=O)C2CCN(C(=O)CCl)CC2)cc1	1324701541	HFQZIKIAYYLOJY-UHFFFAOYSA-N	321.848	3.545	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1595586294	VCBOFQKJEINQKK-CYBMUJFWSA-N	306.406	3.599	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)c1C	1777443705	KJGCHRGGKYDHLO-DHDCSXOGSA-N	323.323	3.931	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccc(F)cc2)s1)C(=O)NC1CC1	14177764	DHNWLYHWSIXTIS-FMIVXFBMSA-N	312.369	3.740	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(F)cccc2F)cc1	33466952	XJEJKOWIIYYZNC-LCYFTJDESA-N	319.332	3.612	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc3c2OCO3)c1	60421940	RSDPWVFMNGTEMR-SXGWCWSVSA-N	305.333	3.822	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1ccccc1	71958056	HBWOBCAYGXVQCW-VBKFSLOCSA-N	305.333	3.638	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(C)cs2)cc(Cl)c1O	96843873	OSZJYQSDZZGQHJ-KMKOMSMNSA-N	306.774	3.883	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)C2CCCCC2)c(-c2cccnc2)n1	128862175	VWNZRASJXBORQE-YBEGLDIGSA-N	320.396	3.538	50	20	DHGD	
CC[C@H](C(=O)NNc1ccncc1Cl)c1ccc(F)cc1	131398271	XFXKOOQDCOWILC-LBPRGKRZSA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H]1C[C@H]1c1ccco1	153612133	LZAZLCSKZWTCCS-VXGBXAGGSA-N	310.275	3.545	50	20	DHGD	
CCC1(C(=O)NNc2ccc(F)cc2Br)CCC1	153758993	BJYRXYJUKISOEA-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
O=C(NNc1cccc(F)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	154592975	BZLSADJAHQAQFB-VDQHWBOFSA-N	306.356	3.577	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cc2cc(OC)ccc2o1	160206850	FGVAPTSGPDPRGF-SDNWHVSQSA-N	312.369	3.655	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)CCc2ccccc2F)c1	175229949	UBSTWDIRCJQJSN-AWEZNQCLSA-N	300.377	3.846	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)C1CCC(c2ccccc2)CC1	175990952	GAJHTQBSDNOUDM-UHFFFAOYSA-N	316.445	3.544	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc2ccccc2n1)c1ccccc1	181075665	SUSQVSIWWGWSFG-AWEZNQCLSA-N	305.381	3.872	50	20	DHGD	
COCc1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	181123106	JJCUEJABWUIKHK-UHFFFAOYSA-N	312.413	3.887	50	20	DHGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1	194530707	RLVCSAWNFXZVRE-NYYWCZLTSA-N	302.286	3.585	50	20	DHGD	
CCCN(N=Cc1ccc2c(c1)ncn2C)C(=O)OC(C)(C)C	496308834	OKQGCKKZXXXRRG-UHFFFAOYSA-N	316.405	3.554	50	20	DHGD	
CC(C)C[C@H]1CCCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588607343	LFFCUHCHPHGORJ-NWNNTGRJSA-N	312.413	3.726	50	20	DHGD	
FC(F)(F)C1CCN(C[C@@H](CBr)C2CC2)CC1	701839282	ZGZXPDMPYQZPMW-SNVBAGLBSA-N	314.189	3.682	50	20	DHGD	
N#C/C(=C\c1occc1Br)C(=O)Nc1ccccc1	735304887	QBGDXMIAWZEENL-CSKARUKUSA-N	317.142	3.588	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc2ccccc2n1)c1ccccc1	741459882	GHTBLJWAEUXZRD-GOSISDBHSA-N	317.392	3.879	50	20	DHGD	
CN(NC(=O)[C@@H]1C[C@@H]1c1cccc(Cl)c1)c1ccccc1	747470664	ZBHIFOLRTQOHLQ-HZPDHXFCSA-N	300.789	3.611	50	20	DHGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNc1ccc(Cl)nc1	747592818	QKPRIYVFWQWOJZ-VXGBXAGGSA-N	318.808	3.553	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747689932	BEQRWCOLNFIIQM-LGMDPLHJSA-N	306.365	3.999	50	20	DHGD	
C[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1	748725326	BOKQQAXYQPMNIW-VIFPVBQESA-N	311.769	3.518	50	20	DHGD	
CCCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCC1	748725928	SMLJGICDGSGYQU-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
CCC(=NNC(=O)c1cccc(N(C)C)c1)C1CCCCC1	750920646	AXUCPDDXOCECFT-UHFFFAOYSA-N	301.434	3.829	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)cc1	755567505	YMVGMFXXEURXJG-WMZOPIPTSA-N	324.449	3.993	50	20	DHGD	
O=C(CCc1ccccc1O)NN=Cc1cc2ccccc2s1	758370721	QXXUWQFMORPBNF-UHFFFAOYSA-N	324.405	3.690	50	20	DHGD	
CCC(=CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)CC	762818592	OFCJSVLZXQTKTJ-UHFFFAOYSA-N	311.307	3.767	50	20	DHGD	
C[C@H](CCC(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768504383	QACKPLDHRQFRLD-CYBMUJFWSA-N	308.385	3.590	50	20	DHGD	
COc1ccc([C@@H](NC[C@@H](C)CBr)C2CC2)cc1	770669155	SOHWVLPAGYLLBD-NHYWBVRUSA-N	312.251	3.767	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@H](C)Cc1cccs1	771325766	FPXIAZXEKLWPKY-LLVKDONJSA-N	321.421	3.701	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2cc(SC)ncn2)c(Cl)c1	773148786	HFLZIVKRIJMIDH-VZUCSPMQSA-N	317.801	3.925	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(F)cc1Cl	775429699	YHDJFLVTSCUBTJ-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
C=C(C)[C@H](NC(=O)NNc1ccccc1)c1ccc(F)c(F)c1	776182035	MHKPRAIXRYOMRC-INIZCTEOSA-N	317.339	3.908	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2nc3ccccc3cc2C)c1	777477597	QYTKPPXABAOAHU-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
CC(C)(C(=O)NNc1c(Cl)cccc1Cl)c1cccnc1	778354069	QRBCJCUZQISKHT-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)C1CCCC1	779217035	LBESZMPSVQTKNU-SNVBAGLBSA-N	316.323	3.855	50	20	DHGD	
CCC1(C=NNC(=O)Cc2cccc3ccccc23)CCOCC1	781123960	PYUVSEUHEDDODR-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1cccc(Br)c1	786673460	HDOPXAORETZDMH-QVASGMJFSA-N	320.186	3.913	50	20	DHGD	
CC(C)C(=O)NN=C1CCCc2[nH]c3ccc(Cl)cc3c21	790290524	PATSGZXTDLIKEM-UHFFFAOYSA-N	303.793	3.634	50	20	DHGD	
CCCC1CCC(N(C)S(=O)(=O)CCCCCl)CC1	790931502	HACGAYPNKHTZBT-UHFFFAOYSA-N	309.903	3.626	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Oc1cccc2ccccc12	791096594	FLQUTHWOILRWLJ-LBPRGKRZSA-N	321.467	3.735	50	20	DHGD	
C=C(CBr)CN(C)Cc1ccccc1SC	791599104	PDZXSJGSPIJORI-UHFFFAOYSA-N	300.265	3.791	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccnc(Cl)c1	791715467	FNXXXNKCCRTJIB-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cc(C(=O)NNc2ncccc2Cl)c(C)cc1Cl	795101490	MHMRJQYQPZLNSR-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC1CC1	797399013	SNXXENYIBNKVHU-NTUHNPAUSA-N	305.761	3.599	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C1CCCCCCC1	798312217	XQILMKILHKLRFP-UHFFFAOYSA-N	303.406	3.508	50	20	DHGD	
CCSCCCNC(=O)NNc1ccc(C(C)(C)C)cc1	800731407	CEADOTOGUKHBHW-UHFFFAOYSA-N	309.479	3.753	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1cccc(C(F)(F)F)c1	802822720	BTCNDFYLSZDBLN-UHFFFAOYSA-N	318.339	3.744	50	20	DHGD	
O=C(Cn1cnc2ccccc21)NN=C1CCC2(CCCC2)CC1	811631528	BTUWFUUODHUYLK-UHFFFAOYSA-N	324.428	3.643	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)c2cccc3cccnc23)c1	814824228	NRIRGWZSMQKPBS-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CCCCCc1ccc(NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	822218455	LPOIDIOUKKKNMN-GZTJUZNOSA-N	322.412	3.698	50	20	DHGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1ccccc1Br	827175606	BMXCTOUEZADEQM-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)NNc3ccncn3)CCCC2)cc1	834035561	VSZSBTWEYBUYOR-UHFFFAOYSA-N	324.428	3.555	50	20	DHGD	
CC[C@@](C)(C=NNC(=O)c1c(Cl)cccc1Cl)OC	834953312	DRAUCPVXMZCZBE-ZDUSSCGKSA-N	303.189	3.524	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(C)cccc2Cl)c(C2CC2)n1	836937180	VWOSHGRVHVYXKO-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
Cc1nc(Cl)ccc1C(=O)NNc1ccc(C(C)C)cc1	837052537	GZSYSNZAPRXSNV-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
O=C(CC1(O)CCCCC1)NNc1cccc(Cl)c1Cl	838344116	HLORIXLBUWOUPC-UHFFFAOYSA-N	317.216	3.522	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccc3c(c2)CNC3)cc1	841330816	FFFOCHPLEQIBGF-UHFFFAOYSA-N	310.401	3.562	50	20	DHGD	
C[C@@H](O)CCCN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844348933	GTCYWTZFTVSHLH-HUUCEWRRSA-N	301.547	3.634	50	20	DHGD	
CC(C)Cc1ccc(C=NNC(=O)OCC(F)(F)F)cc1	853429139	FGBRUAOTRKVZCK-UHFFFAOYSA-N	302.296	3.508	50	20	DHGD	
COc1ccsc1[C@H](C)NC[C@]1(C)C[C@@H]1Br	857082060	KZFOIWRQPVNWST-PEXQALLHSA-N	304.253	3.581	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1ccc(F)cc1Cl	885139107	VWSLPVDMHINCRJ-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
O=C(NCC(Cl)Cl)c1nc2ccccc2cc1C1CC1	908184675	PNAQZCKHKUUUOE-UHFFFAOYSA-N	309.196	3.646	50	20	DHGD	
CCOc1cccc2cc(C(C)=NNC(=O)C3CCCC3)oc12	914835947	YJQWAWQLSPHDLB-UHFFFAOYSA-N	314.385	3.862	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1sccc1Br	915047437	OBFWCHFHEKPEPG-UHFFFAOYSA-N	323.215	3.665	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)Cc1csc(C)n1	916317691	SITIWKIOVXRWAX-ZDUSSCGKSA-N	307.463	3.869	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccn2)c(C)n1C1CCCCC1	917022231	GGQDLQHCRCKWRB-UHFFFAOYSA-N	324.428	3.769	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(CC(C)C)cc1	917552113	YJZYSLRXKJFOEH-UHFFFAOYSA-N	300.324	3.678	50	20	DHGD	
CSCC1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC1	932589052	DKMYIXSPXWUNID-SOFYXZRVSA-N	317.414	3.534	50	20	DHGD	
O=C(O)CCNCc1cccc(S(F)(F)(F)(F)F)c1	1119611284	OXXIBJPRBKGTRZ-UHFFFAOYSA-N	305.268	3.908	50	20	DHGD	
O=C(Nc1ccccc1-c1cc[nH]n1)C1CCC(Cl)CC1	1123922127	TXYMWAINXVHCQD-UHFFFAOYSA-N	303.793	3.813	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC([C@H]2CCCCO2)CC1	1348872512	LCYKXRPCQFDNLT-UYSNPLJNSA-N	313.869	3.592	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	3616671	ICESFPGHMNRHEQ-LDADJPATSA-N	320.392	3.697	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	5131173	VZPRGIWMAVOMTL-UKTHLTGXSA-N	312.756	3.900	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2ccc(F)cc2C)c1	119158208	VXHULBMMPNFUGV-GFCCVEGCSA-N	316.376	3.780	50	20	DHGD	
COC1CCC(CC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)CC1	136894147	RVMSTXYEOPZBNE-UHFFFAOYSA-N	321.373	3.712	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(C)(C)C)cc2)c1	157123078	LNEGPAUQPJCZEM-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1	174052767	VVOUDOLFLOEBNG-GZTJUZNOSA-N	306.365	3.687	50	20	DHGD	
C[C@@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259774	QAQQBFILPGAWPN-ZETCQYMHSA-N	320.283	3.846	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)CC1	270958166	QKAOVIUPDRYYOX-OALUTQOASA-N	302.377	3.626	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(F)cc2C)cc1C1CC1	278494562	WDXRLOIXKLTVDU-UHFFFAOYSA-N	314.360	3.777	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cccc(C3CCC3)c2)c1	282811591	RCFUOAVZCAZZTL-UHFFFAOYSA-N	314.360	3.859	50	20	DHGD	
Cc1noc(C)c1NC(=O)CCCC[C@H]1CCSS1	299483099	AOGRHWXCPPRQMT-NSHDSACASA-N	300.449	3.944	50	20	DHGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NNc1ccccc1	732265490	GIXAWTNFZOTFDP-UHFFFAOYSA-N	318.376	3.946	50	20	DHGD	
C[C@@H]1CCC[C@@H](N2CCC(=NNC(=O)OC(C)(C)C)CC2)C1	733743191	IVPHKVOOYNNXGT-UKRRQHHQSA-N	309.454	3.542	50	20	DHGD	
C[C@H]1C[C@H](C)CC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	734671409	QZTIKXWOPCBKEV-VYUIOLGVSA-N	315.339	3.555	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@H](C3CC3)C2)cc1	737429969	HXVYOPKJQARXGZ-INIZCTEOSA-N	314.429	3.700	50	20	DHGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)c2ccccc2O)cc1	741838239	QODNOQZBAYGDPZ-OAHLLOKOSA-N	308.381	3.754	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1ccc(F)cc1	742516851	NYIOKTMJSTUPPD-RCBQFDQVSA-N	308.397	3.643	50	20	DHGD	
Cc1cc(F)ccc1C=NNC(=O)c1ccc(Cl)cc1F	747646931	VGHCZPIGCPTCHW-UHFFFAOYSA-N	308.715	3.691	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1ccc(F)cc1Br	748076734	MHAXUSWKBHZPTJ-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)OC2CCCCCC2)c1	748365209	WUAXABVHSGWGCX-OAHLLOKOSA-N	304.434	3.874	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1cccc2c1CCCC2	748580923	OBPFQOKYPMLCFA-GOSISDBHSA-N	323.440	3.899	50	20	DHGD	
N#Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cc1	757424241	ABMOGBJUQQQFEJ-UHFFFAOYSA-N	318.288	3.839	50	20	DHGD	
CC[C@H](C[C@H](C)CO)NC(=O)CCCC[C@H]1CCSS1	759561249	WUSQHTPWGWKWMM-MJBXVCDLSA-N	319.536	3.614	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1c[nH]c2ncccc12	763610724	PQWBHGBTOLSMNY-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCC[C@H](C=NNC(=O)c1ccccc1OC)c1ccccc1	769587274	UXYHRDNRPGWUEU-MRXNPFEDSA-N	310.397	3.995	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C/Sc1ccccc1	771708757	SEWOTVZXQITRNJ-ZHACJKMWSA-N	302.374	3.883	50	20	DHGD	
Cc1ccc(CCC=NNC(=O)c2ccc(Cl)cc2F)cn1	774393993	NYTBCTMNZACVSP-UHFFFAOYSA-N	319.767	3.531	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)cn1	775243818	RUNPLCUFEOXBAR-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C[C@@H]2CCCCC2(C)C)c1	780793507	YEERACYEVXYZJA-AWEZNQCLSA-N	318.417	3.523	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(F)c(F)c1	781066254	AZEYCBXSBKQZJT-JTQLQIEISA-N	306.150	3.713	50	20	DHGD	
CC(C)(CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1	785201457	YUEIAXQUGQWUBY-VBKFSLOCSA-N	322.383	3.827	50	20	DHGD	
CN(CCCc1ccccc1)C(=O)/C(C#N)=C/c1ccc(F)cc1	785270228	GVHDTBKCKXLYSB-NBVRZTHBSA-N	322.383	3.824	50	20	DHGD	
CSSCCNC(=O)CCSc1ccc(C)cc1	791099310	CHXRXPGQYJZGLR-UHFFFAOYSA-N	301.502	3.605	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(C#N)cc1)CC(C)C	791452142	CABWWCBPCAYSRJ-UHFFFAOYSA-N	321.262	3.967	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@H](CC#N)c2ccccc2)c1	793705674	GALCWXWBXFOJSJ-KRWDZBQOSA-N	307.397	3.834	50	20	DHGD	
CCc1oc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1C(=O)OC	800790960	XLMVFYPAMVXZMY-FLIBITNWSA-N	321.336	3.569	50	20	DHGD	
Cc1ccccc1-n1cc(/C=C(\C#N)c2nc(C)c(C)s2)nn1	806572879	BDTVASPSKRRXCT-RIYZIHGNSA-N	321.409	3.713	50	20	DHGD	
CCc1ccc(CN(C(=O)NCCSSC)C2CC2)cc1	807229228	RBGFSXFVIQRQAM-UHFFFAOYSA-N	324.515	3.934	50	20	DHGD	
Cc1ncc(CN(C)CCO[Si](C)(C)C(C)(C)C)s1	808710970	RBEZTUUEJIMMMM-UHFFFAOYSA-N	300.544	3.905	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc3ccccc3n2)nc1	810917263	HTCRNYWXEWBDQO-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
CC[C@@H](NC(=O)NNc1c(C)cccc1C(C)C)[C@@H]1CCCO1	813116828	MWQRXNXWBYFBDW-CVEARBPZSA-N	319.449	3.702	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@H]1CCCSC1	813166948	PCYGAQOJHRKLOC-CQSZACIVSA-N	321.490	3.888	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(-c2cccs2)cc1F	814987389	OSORWIZNWMWIHY-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2c(C)cc(C)cc2C)cs1	815853488	MQSDCFPSZRLTBV-UHFFFAOYSA-N	302.399	3.633	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc(F)ccc1Cl	815968961	AJNBFYJNMSXTIS-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(C)cc2)c(C(F)(F)F)c1	816703642	NEJXZTVYJQQAAI-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2cccc(Cl)n2)cc1	817004733	NXXMJQCYFHCGMB-LBPRGKRZSA-N	317.820	3.934	50	20	DHGD	
Cc1ccc(NNC(=O)c2scnc2C(C)C)c(Cl)c1	836934869	ILQDXZZXMACCDE-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	836937171	VWNOHLQQQGMJPK-NWDGAFQWSA-N	322.836	3.733	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)c1ccccn1	855619838	DXZIYRZEGPFHII-CQSZACIVSA-N	321.783	3.901	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)NC[C@]1(C)C[C@@H]1Br	857062463	AKPCAFNTJOFMJX-SWHYSGLUSA-N	300.215	3.520	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1c(F)cccc1F	859450605	IVFHGHJBRNGORM-VIFPVBQESA-N	319.145	3.543	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2cc(Cl)ccc2F)c1C	871271312	LCAHLTQIDJBYID-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
Cn1ccc(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1	891545724	GAJFEKGQAHLTRS-OAHLLOKOSA-N	322.525	3.652	50	20	DHGD	
COCCN(CC(C)C)C(=O)CCCC[C@@H]1CCSS1	914505186	RIDVEBXGEHCYAQ-CQSZACIVSA-N	319.536	3.832	50	20	DHGD	
C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C)C(C)C	914683047	CJOAQEAOAMPDFU-PDGQHHTCSA-N	313.445	3.845	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C[C@@H]1C[C@H]1Cc1ccccc1	935999760	BJVFHGHKDYKSEV-OLZOCXBDSA-N	300.229	3.517	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C)c(Cl)c2)C1	1116873693	GDOKWQLKUCBPGA-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
CNC(=O)NN=Cc1ccc(-c2cc(Cl)ccc2Cl)o1	1317974954	JMUMCCNWCFVPBS-UHFFFAOYSA-N	312.156	3.516	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2cc3c(s2)CCC3)cs1	1318000142	JAYDHOTXHXHRPY-UHFFFAOYSA-N	319.455	3.581	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)c2ccc(F)cc2F)cc1	1325151184	LVBHVPIXCJRDAT-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
CC(C)(C(=O)NNC(=O)c1ccccc1Cl)C1CCCCC1	1336735859	JGSIWBHBZVXYJR-UHFFFAOYSA-N	322.836	3.708	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)c1ccccc1Cl	1341759368	HAGBADFDLOYELD-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(C)c(Cl)c2)CCO1	1342019696	QXZOBDUMCXEYMX-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
O=c1[nH]c(CCCCCl)nc2sc3c(c12)CCCCC3	48412429	XVEVMLVYZDUJKC-UHFFFAOYSA-N	310.850	3.815	50	20	DHGD	
CCSc1cc(C(=O)NNc2cccc(Cl)c2)ccn1	48890521	DCKMLKRWVVVNCQ-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	108893557	NAECUCBUVKNMOV-SJORKVTESA-N	324.424	3.527	50	20	DHGD	
COc1ccc2cccc(CC(=O)NNc3cccc(C)c3)c2c1	151358843	ZLRXMJQBGNREAL-UHFFFAOYSA-N	320.392	3.843	50	20	DHGD	
COc1ccc(Br)c(/C=C(/C#N)c2ccccn2)c1	158293123	BGRRCVOERMJBRP-WQLSENKSSA-N	315.170	3.917	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccccc1Cl	158466062	YQRGFPRADJODST-GHMZBOCLSA-N	306.818	3.957	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnn(-c3ccccc3C)c2)c1	159098961	QRDMSZYCQCSBQH-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
O=C(CC1CCC(c2ccccc2)CC1)NNc1ccncc1	180449855	ACIISHYTXLLHTP-UHFFFAOYSA-N	309.413	3.889	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C(C)C)c1C	192867509	CZGCCCHBNSSDST-GZTJUZNOSA-N	301.434	3.679	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	271438748	RICUIUDTDZECIB-JYVXZMADSA-N	302.330	3.516	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCCc1cccs1	490972369	KARRWRLTJOTFHT-KAMYIIQDSA-N	314.385	3.543	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)C(=O)NC1CC1	588417631	QVTTXOKLTYGBSO-BOPFTXTBSA-N	318.376	3.548	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1sccc1C	733746342	LATVBTSFLZDDBM-GFCCVEGCSA-N	320.389	3.503	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	741773414	AVWYRKNOCGMALP-UHFFFAOYSA-N	321.377	3.767	50	20	DHGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)c2ccc(O)cc2)cc1	741837748	MMEJIYAVILMFGQ-QGZVFWFLSA-N	308.381	3.754	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)C(C)(C)c1ccccc1	742656348	AHDKWRKFTHYTJZ-OAHLLOKOSA-N	318.461	3.718	50	20	DHGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1cccc(Br)c1	747764046	LACWFDCEGRLMLB-CYBMUJFWSA-N	323.234	3.991	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1cccc(Br)c1)CC	748034726	YQHSWKYBGRJKQA-NGOBVPNHSA-N	309.207	3.805	50	20	DHGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)c1ccccc1	749158084	OBBJUGDBOQLNEN-UHFFFAOYSA-N	309.394	3.645	50	20	DHGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1ccc(Cl)cc1	749284110	NSNIQORACZKZEV-GFCCVEGCSA-N	310.825	3.911	50	20	DHGD	
C[C@@H](CCNC(=O)NNc1ccc(F)cc1)c1ccccc1	750336738	KJKBOOOHSFRTDE-ZDUSSCGKSA-N	301.365	3.646	50	20	DHGD	
CS[C@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)C(C)(C)C	752882272	CTBLYAVZWAXYTJ-BMQCOBNYSA-N	320.433	3.627	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)ns1	768091376	VNNKPZBXTYRSLD-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
C[C@H](CBr)CN1C[C@@H]2CCC(=O)c3cccc1c32	770668023	IFFINAMNHBMZFB-MNOVXSKESA-N	308.219	3.598	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1c[nH]c2ccccc12	771871819	JHVLBFKLGGWZOL-UHFFFAOYSA-N	303.774	3.647	50	20	DHGD	
COc1cc(/C(C#N)=C\c2nc(Cl)cs2)ccc1[N+](=O)[O-]	774558404	CBNRJTLVPUNYEE-UITAMQMPSA-N	321.745	3.777	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccc2occ(C)c2c1	776085372	MZFKOCQSEKIWLP-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
Cc1cc(C)c(/C=C\C(=O)NNc2cc(Cl)ccn2)cc1C	778453784	SBKGNHCXMZMYLL-PLNGDYQASA-N	315.804	3.817	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C[C@H](C)c1ccc(C(F)(F)F)cc1	788995258	UOAGUROVWXSUOT-MNOVXSKESA-N	300.324	3.957	50	20	DHGD	
Cc1ccc(C(=O)OC[C@H](C)CBr)c(F)c1Cl	789065647	NCJYWZUEXALQCJ-SSDOTTSWSA-N	323.589	3.975	50	20	DHGD	
O=C(NN=CCCc1c(Cl)cccc1Cl)c1cccnc1	790136956	ZVJUZSYXWNKWHR-UHFFFAOYSA-N	322.195	3.737	50	20	DHGD	
Cc1ccccc1CC(=O)NN=C[C@@H](OC(C)C)c1ccccc1	793024545	IUPZDLKCPOEZDC-LJQANCHMSA-N	324.424	3.806	50	20	DHGD	
C=C(CBr)COC(=O)C[C@H]1CCc2ccccc2C1	795511192	WNTSZCKNFWYHCO-ZDUSSCGKSA-N	323.230	3.676	50	20	DHGD	
C[C@@H]1CC[C@@H](C=NNC(=O)c2ccc(Br)s2)C1	800808083	FHYSUCVZKUYFDJ-RKDXNWHRSA-N	315.236	3.662	50	20	DHGD	
CCC(=O)NN=C(Cc1ccc(F)cc1Cl)c1ccoc1	814708535	NHZDPZFPERYHCR-UHFFFAOYSA-N	308.740	3.545	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CC[C@H](C)C3)n[nH]2)cc1	814876587	ZNKZVXCVBJVJDL-LBPRGKRZSA-N	310.401	3.545	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1CCC[C@H]1c1ccccc1	826786584	ASLQEHOACCDLKV-KBPBESRZSA-N	315.804	3.762	50	20	DHGD	
CC[C@@](C)(C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834932369	GYYLLPCLEGZWGP-ZDUSSCGKSA-N	303.189	3.524	50	20	DHGD	
C[C@@H]1C[C@H](NC(=O)NNc2cccc(Cl)c2Cl)CS1	840414104	PFXZITMGJRGCRE-SFYZADRCSA-N	320.245	3.514	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1csc(C(C)(C)C)n1	855367874	UWSMZJHEGBAHRJ-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2OCC2CC2)cc1F	856229868	ZSAANEHWWMZWMS-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081164	AFFIBIWEWZSZKH-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CCC(=NNC(=O)CCCc1ccccc1)c1ccc(N)cc1	863089957	QJEGWGOBAMJIRV-UHFFFAOYSA-N	309.413	3.522	50	20	DHGD	
C=CC(C)(C)CC(=O)NNc1ccccc1OC(F)(F)F	879553121	XPFXWCCDXWSJBL-UHFFFAOYSA-N	302.296	3.631	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)c1ccc(F)cc1F	908222732	GJPXARUELCSPND-UHFFFAOYSA-N	310.171	3.505	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)C12CC3CC(CC(C3)C1)C2	916264226	DVZLICZVCSAHLA-UHFFFAOYSA-N	311.429	3.591	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(N)cc1	917546788	HYKRLNMTWDFSFR-UHFFFAOYSA-N	303.365	3.576	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C3CC3)s2)cc1Cl	1115996993	OUSLKLWLAMXSSC-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H](F)CC2CCCCC2)nn1	1116877019	KBOIJOOHFWXEDB-CYBMUJFWSA-N	322.428	3.526	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H](Nc2ccccc2)C1	1123669252	NGGASYJUWJHQBZ-DQPZFDDXSA-N	320.864	3.887	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c(C)n1CC1CC1	1319378399	WSMUSGVAFYSFTB-UHFFFAOYSA-N	319.355	3.550	50	20	DHGD	
CC(C)[C@@H](NC(=O)c1cccc(CCl)c1)c1ccccn1	1337379580	WUXFBSICYBPVDV-MRXNPFEDSA-N	302.805	3.948	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1cccc(F)c1C(=O)O	1595670472	QGPWPARJFQPHLO-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
CC1=CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC(C)(C)C1	1776044755	BYAPZXGPTPAEKV-UHFFFAOYSA-N	315.373	3.629	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc3[nH]c(C(=O)O)cc3o2)cc1	1777433626	LIOYXXZKHBSTQT-SDQBBNPISA-N	320.304	3.557	50	20	DHGD	
O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@H](F)Cl)c1	2088601019	IWQRQVLDVWDWNJ-ZDUSSCGKSA-N	321.739	3.804	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(-c2csc(C)n2)cc1	7707704	VMNYFWQQYMTGIO-UKTHLTGXSA-N	313.382	3.501	50	20	DHGD	
N#C/C(=C/c1ccc(OCc2ccc(Cl)cc2)cc1)C(=O)O	11962923	CLNBPKJOXHIBLU-ZROIWOOFSA-N	313.740	3.911	50	20	DHGD	
C=CCOc1cccc(NC(=O)NNc2ccccc2F)c1	92598357	NKNIEGNCPJCVFP-UHFFFAOYSA-N	301.321	3.539	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1cccc(C(F)(F)F)c1	153826192	CAJFHESFDWXIFC-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cc(Cl)cc(Cl)c1	154559969	SCFOVJLMRSFAMN-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1ncccn1)Nc1ccc2c(c1)oc1ccccc12	156022711	ICVNBDPMFIFQKR-UHFFFAOYSA-N	319.324	3.525	50	20	DHGD	
CSc1ccsc1C(=O)NNc1cc(F)c(F)c(F)c1	175466851	YZAUYBSMAUHZOW-UHFFFAOYSA-N	318.345	3.644	50	20	DHGD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188097136	IHFOCBINLWLQET-RERGGYADSA-N	324.355	3.658	50	20	DHGD	
N#CC1=CCN(C(=O)CCCOc2cccc3ccccc23)CC1	270916830	CESQHKUVBFEZRB-UHFFFAOYSA-N	320.392	3.681	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cnn(Cc2ccc(F)cc2)c1	275560908	WLGMDKGWRMFMIU-WJHGTXIHSA-N	311.360	3.593	50	20	DHGD	
CC(C)OCCCC(=O)NNc1cc(Cl)cc(Cl)c1	276915538	VJZZSBVWWMQBQP-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
CSSCCNC(=O)c1c(-c2ccccc2C)noc1C	283915589	DPRDYOYGRXGNBI-UHFFFAOYSA-N	322.455	3.699	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)CCCc1ccccc1	727689417	PEBOSKPNVJKUFK-UHFFFAOYSA-N	324.424	3.947	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cc(F)c(F)c(F)c1	727970215	UCNAXYOGIMOGNS-UHFFFAOYSA-N	307.275	3.568	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1ccc(F)cc1	728438901	BNXHXUVSVVFGCV-RMKNXTFCSA-N	324.142	3.656	50	20	DHGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1ccccc1C(F)(F)F	729624691	WTNGNRPGZSGKRO-ONGXEEELSA-N	301.312	3.520	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cccc(F)c1F)c1ccccc1	731931590	LEZXIKUVAUURII-CQSZACIVSA-N	302.324	3.609	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cccc(Br)c2)C1	741768089	UIIQLCGKDJCGKB-JTQLQIEISA-N	309.207	3.745	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)[C@H](C)c1ccccc1	746371631	YUWHHJVCGFZZJL-AWEZNQCLSA-N	309.413	3.662	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1cccc(-c2ccccc2)c1	746483880	BPGOQHDJTHNQKW-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(OCC(F)(F)F)cc2)CCC1	748710291	QFMMUOCARPRXKZ-UHFFFAOYSA-N	314.307	3.571	50	20	DHGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2ccoc2)cc(OC)c1O	752887457	KOVDBRNBQGMROG-OVCLIPMQSA-N	309.321	3.512	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1nc(C(F)(F)F)cs1	762261795	UZXZZXFVRNMUJQ-SSDOTTSWSA-N	309.357	3.677	50	20	DHGD	
CC(C)CCN(C(=O)[C@H](Br)C(C)(C)C)C1CC1	767028550	CNPIDHVNVVPGFP-LBPRGKRZSA-N	304.272	3.833	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	767717116	HRNPDXFQXRFJMJ-QTKCVZTJSA-N	322.330	3.706	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1nc2c(s1)CCCC2	769960868	RTAMZQDUCLBXRX-UHFFFAOYSA-N	320.393	3.618	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)NNc1nccnc1C(C)C	770076209	NBSHKXLSUDSAMH-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
CCc1cccc(C)c1NC(=O)NNc1ccccc1[N+](=O)[O-]	775409078	HFPITSFJGNSNEL-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2c(F)cccc2F)cc1C	775712284	ANGMDTVKBYKLMT-SECBINFHSA-N	323.347	3.589	50	20	DHGD	
Nc1ccc(C(=O)NN=C(CC2CCC2)c2ccccc2)cc1	776183077	HWIPIRQZIKYNBC-UHFFFAOYSA-N	307.397	3.593	50	20	DHGD	
CC(C)Oc1cc(F)ccc1NC(=O)NNc1ccccc1F	779127871	PUZSAYLNHASVBO-UHFFFAOYSA-N	321.327	3.901	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)c1	785169756	PKYAMLOLPJKPNN-YVLHZVERSA-N	308.356	3.666	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)c1ncc(-c2ccccc2)o1	786674447	UCRHKLLOMHMZFE-DGGAMASNSA-N	308.337	3.806	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cccc2c1OCC2(C)C	790028486	GIQBKNYQLSWJHZ-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2cnc3ccccc3c2)cc1	792632530	FTUBRWBGBQJBSF-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)c1ccc2ncccc2c1	794885178	OQUMSLLVISAFQB-YBEGLDIGSA-N	300.317	3.730	50	20	DHGD	
C=CC[C@@H](CC)NC(=O)NNc1ccccc1C(F)(F)F	798494681	JJNAJFDMBQAOEX-SNVBAGLBSA-N	301.312	3.686	50	20	DHGD	
C[C@H]1CC[C@H](C=NNC(=O)Nc2ccc(OC(F)F)cc2)C1	800812254	AKQDBINSNSIWME-QWRGUYRKSA-N	311.332	3.832	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1ccc2ccccc2n1	801182698	CBHZZUDWFYXAFX-UHFFFAOYSA-N	317.801	3.636	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1nccc2ccccc12	811640574	WVKCXIONTBYYKH-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn2ccccc12	812765036	SUFZCAKHRZUPPX-UHFFFAOYSA-N	308.385	3.523	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)COc1ccc(C#N)cc1	812769748	UZAZWZNDAKNZQC-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1C[C@H](C)O[C@H](C)C1	813124393	YUJPWAYTLDYTNN-QDMKHBRRSA-N	319.449	3.701	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NOCCC(F)(F)F	813145307	JOVPOBBCQCTRHO-UHFFFAOYSA-N	319.327	3.629	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NOC[C@@H](C)CC)c1C	816978825	CAOIZBJBQQYUKW-VZWMTCDZSA-N	317.433	3.516	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1CCC2(CC1)CC2	832394945	DJOAUPDPIHBZFV-UHFFFAOYSA-N	314.216	3.802	50	20	DHGD	
C[C@@H]1SCC[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	844115866	PFWCAWLFYYVCPF-TUAOUCFPSA-N	305.534	3.711	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	845857045	PZARLSZPIZMCRC-UHFFFAOYSA-N	313.323	3.846	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Nc2cnn(C(C)C)c2)c(C)c1	847436283	ZXAOKFOLEKFHNU-UHFFFAOYSA-N	301.394	3.538	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	853307430	PBBZETRWVLZGEW-OAHLLOKOSA-N	322.412	3.724	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)c1sc(C(C)C)nc1C	853429704	PHGSQGZYWBCLOU-UHFFFAOYSA-N	323.340	3.587	50	20	DHGD	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@@H](Br)C(C)(C)C	856243897	UZCNISVRRLPEEC-FGNRJIRKSA-N	302.256	3.586	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)cc1C	856810899	AMRJQXUJUQKXJK-TZMCWYRMSA-N	311.223	3.598	50	20	DHGD	
CCN(C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCCCC1	856950509	BOLRNGGTQNPQDO-JSGCOSHPSA-N	317.271	3.524	50	20	DHGD	
CCc1nc2ccccc2c(C(=O)NNc2ncccc2C)c1C	857493615	GLSSQZALSVGALJ-UHFFFAOYSA-N	320.396	3.566	50	20	DHGD	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	865943273	JWGKDATYOCFLNY-LFMVTYOGSA-N	301.434	3.583	50	20	DHGD	
CCO[C@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	905435801	FVALVUZHTNXDFL-SFHVURJKSA-N	310.397	3.905	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cc(C)n(C2CC2)c1C	915971543	AMGSHMXTCFEGTN-UHFFFAOYSA-N	310.401	3.904	50	20	DHGD	
O=C(NCCCCc1ccccc1)NNc1ccccc1Cl	916229941	BEOCIMHSOVUTPD-UHFFFAOYSA-N	317.820	3.989	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1cccc(C)c1	916298474	GONOZHIJOKYDGU-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
N#C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCCC1	921539200	YTWJMYKSWZZKKY-ZIAGYGMSSA-N	312.504	3.899	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccccc2Cl)cc1Cl	1116124405	NTCGEOPULIVEMP-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
C[C@@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(CCl)c1	1120707872	PFODISHXUJSSGB-SUMWQHHRSA-N	317.816	3.667	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1)c1nc(N)c2ccccc2n1	1253411877	RGBVNDCQVGNWFC-WLXMHCNISA-N	316.339	3.971	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNc1cccc(C(=O)O)c1	1595667086	ZYPOKLORRVLOHX-QGZVFWFLSA-N	306.406	3.825	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)Nc1ccc([N+](=O)[O-])cc1	83055978	BBWSSCVCJWNPEQ-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@H]1CCC[C@@H](C(F)(F)F)C1	114883489	BGXFSCHDAHFXSR-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3c(F)cccc3F)[nH]c2c1	118515980	FDTMMZIEDSWREU-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)NCc1ccco1	133017509	GKDQYUVEPCMDFC-LCYFTJDESA-N	306.321	3.558	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@H](Nc2ccccc2)C1	134022405	WPMJTEHMQHNUIB-ZFWWWQNUSA-N	311.267	3.594	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1cccc(Br)c1	152234531	GATYLQDXHHVKQW-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCC(=CC(=O)NNc1ccc(F)cc1Br)CC	153706471	AZDBWBOKOJHQEO-UHFFFAOYSA-N	315.186	3.778	50	20	DHGD	
O=C(NNc1ccncc1Cl)C1(c2cccc(Cl)c2)CC1	154748735	RSHGLGLZPIXUJC-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cc(Cl)ccc1Cl	154840667	GPLCOZNGTSVKNC-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
I[C@H]1CCC[C@@H]1OCc1ccccc1	158127857	JMFCZIVQOBUVCU-RYUDHWBXSA-N	302.155	3.559	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccccc2Cl)CCCC1	158519585	LDMUSFPOQBXVDS-UHFFFAOYSA-N	310.825	3.770	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2SCCc3ccccc32)c1	158660630	ZHIBOPKVMQSEJE-KRWDZBQOSA-N	312.438	3.777	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc2ccccc2n1)c1ccccc1	181075682	SUSQVSIWWGWSFG-CQSZACIVSA-N	305.381	3.872	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C12CC3CC(CC(C3)C1)C2	184316029	KNDJZVURMLIZBV-UHFFFAOYSA-N	302.393	3.794	50	20	DHGD	
COCC1=CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	186172236	QFWVAHZDZIYMJP-CQSZACIVSA-N	315.504	3.506	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1F	191349372	SEWWFYXGGSCOHL-MDWZMJQESA-N	305.312	3.842	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(C#N)cs1	255279830	YNZNUHCYUDRXCM-VGOFMYFVSA-N	307.378	3.782	50	20	DHGD	
N#CC1=CCN(C(=O)CCCc2ccc3ccccc3c2)CC1	272670816	KRSZCQXJBMJSBL-UHFFFAOYSA-N	304.393	3.845	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2ccccn2)c(-c2cnn(C)c2)c1	366969681	MQKSTZCUGYSIIC-MHWRWJLKSA-N	300.365	3.855	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cnc2ccccc2c1	588429165	IWDPMDCRFAZVIY-DHDCSXOGSA-N	317.323	3.920	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	727777387	NSJUABGXUUSTHZ-CZUORRHYSA-N	302.418	3.775	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)[C@@H](C)Oc2ccccc2F)CC1	729636557	LMSUZZZRNWTMCL-KWCCSABGSA-N	320.408	3.911	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1nc(-c2ccccc2)no1	742072516	DWJIJBSRZDJQIN-CYBMUJFWSA-N	316.405	3.786	50	20	DHGD	
CCc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1O	747591452	WOQBDNNYEGMNFC-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c(O)nc3ccccc3c2C)c1	748362506	MLEKRHHDXWADBZ-UHFFFAOYSA-N	321.380	3.623	50	20	DHGD	
Cc1ccc(NNC(=O)c2sc(C(C)(C)C)nc2C)cc1	749201065	DFPJXMWZWFGVCO-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@H](C)C2CCCCC2)o1	751386623	IDDVGPQZZWYKDM-LBPRGKRZSA-N	318.421	3.719	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cnnc2ccccc12	752621365	BIXSKWHOWWKHLL-ZDUSSCGKSA-N	312.417	3.679	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C[C@@H]1C[C@H]1c1ccccc1	755570093	CSFZPIDXXHMALX-RDJZCZTQSA-N	312.800	3.788	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)Cc1ccc(F)cc1	756875800	JRRMUISOJFBEHI-UHFFFAOYSA-N	318.779	3.789	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)C=C2CCC(C(C)(C)C)CC2)o1	765812583	LFQVNLHTRPULIF-UHFFFAOYSA-N	318.417	3.512	50	20	DHGD	
COc1ccsc1C(C)=NNC(=O)CCCc1ccccc1	769781046	CJIMJPRYGJBSFX-UHFFFAOYSA-N	316.426	3.620	50	20	DHGD	
C[C@H](CC(=O)NNc1c(F)cccc1Cl)c1ccncc1	770203474	LYOWKLWREKLIQL-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2C(C)=CCC[C@@H]2C)cc1	773202410	WSTLXHPCUZYVPK-YJBOKZPZSA-N	314.429	3.722	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)Nc1ccccc1C	775782879	CBOCICSUKJQLTC-AWEZNQCLSA-N	305.422	3.754	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc2cc[nH]c12	776068149	OQVSIABCAPVKLP-UHFFFAOYSA-N	317.352	3.865	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1OC(C)C	786022684	MZSAXARLRKJSGT-UHFFFAOYSA-N	324.384	3.803	50	20	DHGD	
COC1(CC(=O)NN(c2ccccc2)c2ccccc2)CCC1	790254815	DOAXTKRZKUAIGC-UHFFFAOYSA-N	310.397	3.815	50	20	DHGD	
CCN(Cc1ccc(Cl)s1)C(=O)NCCSSC	790879832	UBGAMOAGIOFQBU-UHFFFAOYSA-N	324.924	3.944	50	20	DHGD	
CC(C)CCO[C@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791732887	FHGMOZYXGYXAFI-SNVBAGLBSA-N	319.232	3.888	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1cc(Cl)cc(Cl)c1	791734168	JDCOUWBXUIDKAZ-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1cc(C)c(Br)s1	794897720	VGJRCQXZZZGMKY-SSDOTTSWSA-N	317.252	3.705	50	20	DHGD	
O=C(NN=C[C@H]1CCCSC1)c1c(Cl)cccc1Cl	794904290	FDYFNNIDWUEMGW-SECBINFHSA-N	317.241	3.852	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1sccc1-c1ccccc1	804770734	PHWUMBUDRWBYIM-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)COc1ccc(Cl)cc1Cl	807943120	ANAQGIBKLIRHCA-VIFPVBQESA-N	315.200	3.664	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2cc3ccccc3o2)s1	814867177	SNPAYUYISSXXDM-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@H]2CC2(F)F)c1C	816418329	LRQVMNUVMHLUDI-XIEDVDOYSA-N	322.355	3.620	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(SC)cc2)cc1	817904739	OPZKTXWEWILZRF-UHFFFAOYSA-N	302.399	3.564	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2ccc(Br)cc2)CC1	836780333	ZZBIYWBGUFVZBY-JTQLQIEISA-N	309.207	3.639	50	20	DHGD	
Cc1ccc(NNC(=O)c2coc(C3CCC3)n2)c(Cl)c1	836934791	HDEGILYRUCMAKF-UHFFFAOYSA-N	305.765	3.661	50	20	DHGD	
CCCn1nc(C)c(C(=O)NNc2ccc(C(C)C)cc2)c1C	837054891	YGQQNHDETCOSDW-UHFFFAOYSA-N	314.433	3.790	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(CN(C)C)cc2)cc1	837055461	GEQXCZMTDYNMNA-UHFFFAOYSA-N	311.429	3.629	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1cc(F)ccc1Br	839879110	OZTJQDKZYJSCAW-RKDXNWHRSA-N	317.202	3.714	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1	840520455	UEYBGAVNTBINDR-CIWHUMHDSA-N	312.413	3.519	50	20	DHGD	
CC(C)C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccccn1	851921513	TZWRPMKBNHQSJP-RRFJBIMHSA-N	311.267	3.932	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(C#N)cc1F	851924224	LNURRLTZMSMCSU-CUOATXAZSA-N	311.198	3.521	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1(C(F)(F)F)CCCCC1	854604021	QTZJRROUSORJEW-UHFFFAOYSA-N	321.730	3.691	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(C)(C)F)c1C	855746775	NPLYWXCFOKZACV-LFIBNONCSA-N	319.424	3.676	50	20	DHGD	
C#CC[C@H](NC[C@H](CBr)C1CC1)c1ccccc1	859232932	NUQRYJBFCSPFHM-HOTGVXAUSA-N	306.247	3.762	50	20	DHGD	
CCC[C@H](OCC)C(=O)NNc1ccc(Cl)cc1Cl	860313458	GYVWADMEICATIJ-LBPRGKRZSA-N	305.205	3.642	50	20	DHGD	
CCOc1cccc(CCC(=O)NNc2ccc(C)c(F)c2)c1	862226575	JIZRFUXNLAEWOG-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1csc([C@@H](C)C(=O)NNc2cc(Cl)ccc2C)n1	885126603	BNMWNQCEZWAVAY-JTQLQIEISA-N	309.822	3.660	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1	916222567	BHSFQZUHHUXHKX-OWCLPIDISA-N	312.417	3.543	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc(Br)s1	916248701	IXSYZZYPPPEQEI-UHFFFAOYSA-N	323.215	3.665	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)COc1cccc(C(F)(F)F)c1	916294437	PCRPBEFFHWZHHC-JTQLQIEISA-N	316.323	3.622	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(COc3ccccc3)o2)o1	916359800	PZZDOSAQOKYECU-UHFFFAOYSA-N	324.336	3.524	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1ccc(Cl)cc1	917556358	UEFWZOKNLVHVOS-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
O=C(CCl)N[C@H]1CCCc2nc(-c3ccc(F)cc3)sc21	1116437726	OGKWNOSNSVRLSB-NSHDSACASA-N	324.808	3.682	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cncn1-c1ccccc1	1116884140	DEPNRVSGQOBDAO-HUUCEWRRSA-N	324.428	3.804	50	20	DHGD	
O=C(NN=CCc1cccc(Cl)c1)c1ccccc1Cl	1323517525	IPRVEZMTVXZOHA-UHFFFAOYSA-N	307.180	3.952	50	20	DHGD	
N#C/C(=C/c1sccc1Cl)c1nc(N)c2ccccc2n1	1326580911	UZSVCVMZROLSMS-CLFYSBASSA-N	312.785	3.991	50	20	DHGD	
CC(C)(C)[C@@H](Br)c1nnc([C@@H]2CCCCO2)o1	1331912526	PBYLHNZGXREJTK-IUCAKERBSA-N	303.200	3.793	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(O)nc(C(C)C)c2)cc1Cl	1341766840	XSHAXMHRUGAXMW-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC(C2CCOCC2)CC1	1358173194	MNJRVKQNKILNGH-UHFFFAOYSA-N	321.848	3.704	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1CCCC[C@H]1C	1776045526	QNFRXMGIXFDQQG-IAQYHMDHSA-N	317.389	3.709	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(C#N)c2)cc1	14177431	LSQQMVQMPBXSMA-GZTJUZNOSA-N	301.349	3.666	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	15423310	GNNBYVLNZVJOFI-UHFFFAOYSA-N	313.357	3.694	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccc(-c3ccccc3)nn2)c1	85653389	RXSYWPAYSVCBGR-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC)c([N+](=O)[O-])c1	106586778	NQMYEJBJMQUCAC-MDWZMJQESA-N	302.330	3.516	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(-c2ccc(Cl)s2)on1	111551352	YAEOHFIFQFMONN-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CC(C)(C(=O)NNc1ccnc2ccccc12)c1ccccc1	133620804	HUTITQACNOIZOT-UHFFFAOYSA-N	305.381	3.656	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1	175411773	KISVYKQPGFNVMU-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
C[C@H](C(=O)NNC(=O)CC1CCCC1)c1ccc2ccccc2c1	175540897	FNABQTWPLZSSCA-AWEZNQCLSA-N	324.424	3.671	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccncc1)c1ccccc1C(F)(F)F	180540345	WOTJJHZIVWCKHP-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
Cc1cccnc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	181564684	ACHNDSCLHLWEKP-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
CSSCCNC(=O)c1ccc(SC(F)F)cc1	284068675	LUKPOIHQHJPCJB-UHFFFAOYSA-N	309.428	3.742	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C)CCC(C)(C)C)c1	293936768	NLEBWNIMJWFDIJ-LBPRGKRZSA-N	305.422	3.551	50	20	DHGD	
Fc1ccc([C@H]2CCC[C@@H](CI)O2)cc1	306491562	NTPFBUFNAVREEC-NWDGAFQWSA-N	320.145	3.871	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)nn2C)cc1	491102335	HNKILJRRRYZTSQ-KWWJGWKXSA-N	322.412	3.788	50	20	DHGD	
O=C(/C=C\c1ccsc1)NNc1cccc(C(F)(F)F)c1	492185323	SJZWGXMNTRGUFP-PLNGDYQASA-N	312.316	3.923	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)NCc2ccc(Cl)cc2)c1	732927884	ZODSEPZSCGXRBI-UHFFFAOYSA-N	315.804	3.790	50	20	DHGD	
C[C@H](CC(=O)NNc1cnnc2ccccc12)C1CCCCC1	733811003	YRBYNQGGLWXDRT-CYBMUJFWSA-N	312.417	3.679	50	20	DHGD	
CSCc1ccc(C(=O)NNc2c(F)cccc2F)cc1	735700306	JLRFGHBRJLXNSN-UHFFFAOYSA-N	308.353	3.585	50	20	DHGD	
CN(CCOc1ccccc1F)/C(=C\C#N)c1ccc(F)cc1	750599564	BPLPIVUQIDNJOD-YVLHZVERSA-N	314.335	3.840	50	20	DHGD	
Cn1nnc2cc(/C=C(/C#N)c3ccc4ccccc4n3)ccc21	751031787	LSBKBYPUONRXRA-GDNBJRDFSA-N	311.348	3.581	50	20	DHGD	
C=CCCC(C)=NNC(=O)COc1ccc(Cl)cc1Cl	758067412	BMBOWEUKHUCFKZ-UHFFFAOYSA-N	315.200	3.831	50	20	DHGD	
C[C@H](c1ccccc1)N(CCI)C1CC1	759399617	TYQCLIXRFDIOFR-LLVKDONJSA-N	315.198	3.647	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)C=C2CCC(C(C)(C)C)CC2)n1	764679933	XSNGDFZZARMDQC-UHFFFAOYSA-N	316.449	3.699	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1nc2ccccc2s1	767083705	DPUWDHFCKZAAKZ-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1c(F)cccc1Cl	770191272	RWOZUJDBODBEDL-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1nccnc1C(C)C	772859370	CIOQPTUDJMSVHA-AWEZNQCLSA-N	304.438	3.650	50	20	DHGD	
CC1(C(=O)NNc2ncccc2C(F)(F)F)CCCCC1	781935498	RMZKPURXRYAZEG-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)s1	786050973	QZZZCEWPWDERMV-XNTDXEJSSA-N	310.422	3.842	50	20	DHGD	
Cc1oc(-c2ccccc2)nc1COC(=O)/C(C#N)=C\C1CC1	786678237	PSPVPQSJRHIHKQ-DHDCSXOGSA-N	308.337	3.553	50	20	DHGD	
C#CCC1(C(=O)NNc2c(F)cccc2Cl)CCCCC1	788463486	GGZZBBQANDIHHP-UHFFFAOYSA-N	308.784	3.896	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1-c1csc(C)n1	794846824	DVWZLFRLZUDUIH-XFXZXTDPSA-N	313.382	3.501	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(C)nc1C(C)C	794950820	AKJBZORQSPFFDX-UHFFFAOYSA-N	314.433	3.732	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCSc1ccccn1	799758941	DCXKYLIXWLDCBZ-UHFFFAOYSA-N	315.442	3.578	50	20	DHGD	
O=C(/C=C\c1cccc(CCl)c1)c1cn(-c2ccccc2)nn1	799891874	IRFZNVNNXZYMGW-KTKRTIGZSA-N	323.783	3.902	50	20	DHGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)[C@H]1CCCOC1	811627969	JLXOVQXUJLGCKK-YNYSXPKMSA-N	315.316	3.670	50	20	DHGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)OC(C)(C)C	814692404	BAGNRLJJFJKIDE-GDBMZVCRSA-N	318.417	3.850	50	20	DHGD	
Cc1cccc(C(NS(=O)(=O)CCl)c2cccc(C)c2)c1	830818459	POMJLNNZNAWZBG-UHFFFAOYSA-N	323.845	3.509	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccccc1OCC(C)C	834437773	AGIVZYNJPAADBD-LFIBNONCSA-N	321.442	3.801	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cnc(C3CC3)s2)cc1	837056601	QZFZCZKCKZBIFG-UHFFFAOYSA-N	301.415	3.901	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)c(C)c1	839695966	HXQYIQKXNSAWTF-ZWKOTPCHSA-N	319.408	3.730	50	20	DHGD	
Cc1ccnc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)n1	844349138	JQZLMSLGMGMTMW-HNNXBMFYSA-N	321.541	3.771	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ccnc(Cl)c2)c1	855469364	CDYQESAUGYEHPV-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc(C(F)F)cc2)C[C@H]1Br	857399847	GMNXYLWARFAKBM-ZWNOBZJWSA-N	318.161	3.528	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(C)[nH]c(C(=O)OCC)c1C	863186249	UEZGASZUVNMYPU-LUHPIMIVSA-N	316.401	3.721	50	20	DHGD	
CC(=O)CN(C(=O)CCCC[C@@H]1CCSS1)C(C)C	868597726	BKHZEDJSTZKHRB-CYBMUJFWSA-N	303.493	3.527	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cscc1Cl	874811082	DMLICFLVTGONKP-UHFFFAOYSA-N	318.229	3.706	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	906357136	HFTLLVCOWCHRIJ-PDGQHHTCSA-N	315.461	3.974	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)c(C)n1CC(C)C	912716180	PBCNHINFVYRSBD-YVLHZVERSA-N	313.445	3.727	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(Br)o1	916661923	GAYSHLZXBYDXCQ-UHFFFAOYSA-N	322.162	3.506	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H](C)C2CC2)c1C	920030734	ZQGNPYDZPIHJIE-VQIMKDEXSA-N	313.445	3.584	50	20	DHGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)OCC)cc1	920361236	IIMVBJPZVXIYPG-SZOIUQASSA-N	304.390	3.696	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1	1320339524	YQQXWFHAEHYWEU-BESUYIBZSA-N	312.388	3.771	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NOC(C)(C)C)c(C)n1CC(C)C	1324576773	ICIXNDNZXBGJKW-CXUHLZMHSA-N	317.433	3.514	50	20	DHGD	
O=C(O)c1cccc(C(=O)NN=C2CCCCCCCCC2)c1	1776096319	UZMQFUHHFVGFHQ-UHFFFAOYSA-N	316.401	3.995	50	20	DHGD	
Cc1cc(OC(=O)/C=C/c2cccc(F)c2)ccc1[N+](=O)[O-]	7037617	XCORFLSYUBWUQO-VMPITWQZSA-N	301.273	3.661	50	20	DHGD	
CCCOc1c(/C=C(/C#N)C(=O)OC(C)C)cccc1OCC	57405731	KMYUFEFYPZIYMY-PTNGSMBKSA-N	317.385	3.733	50	20	DHGD	
COc1ccc(F)cc1NC(=O)NNc1ccccc1Cl	93098794	FYIZPLFVUUGGJU-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
N#C/C(=C/c1ccco1)C(=O)c1ccc(Br)s1	107067632	KORQLAGFDBFNQC-VURMDHGXSA-N	308.156	3.893	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccc(F)cc1	110620038	JGJOHXVUKDMJRX-OAHLLOKOSA-N	304.390	3.840	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc(F)cc(Cl)c1O	120306447	JOPATKMAXLTXJK-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CCC(CC)(C(=O)NNc1ccncc1Cl)c1ccccc1	135898110	ZPEYPTNYQSTSTA-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccccc1Oc1cccnc1	154701401	SLESNNJORQDIRO-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2cc(O)ccc2[N+](=O)[O-])n1	157317631	LSHPSWTYLGBCIS-VZUCSPMQSA-N	315.354	3.944	50	20	DHGD	
CC1(C)CCC(C)(C)c2cc(C(=O)NNc3cccnn3)ccc21	172368291	RBMHOYJXRJLPBZ-UHFFFAOYSA-N	324.428	3.583	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)c1nc2ccccc2n1C	179026616	OWBBIHXHOHVORS-ACCUITESSA-N	319.364	3.655	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(Sc2ccccc2)cc1	179069094	SCCIVKIMUJLELU-WJDWOHSUSA-N	315.419	3.747	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1OC	180570575	TYYAVTHYOVDMCB-OQLLNIDSSA-N	324.336	3.985	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)NCc1ccccc1	194854939	AKKXWBMJDOABOS-RIYZIHGNSA-N	314.747	3.702	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OC/C=C/c2ccccc2)cc1	213358478	TVOXHFJHSYVLHI-DYGKFFPWSA-N	319.360	3.859	50	20	DHGD	
Cc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)s1	257352206	JTVYANQBDTUEGH-UHFFFAOYSA-N	324.405	3.739	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1nc(Cl)cs1	490781729	CSNRYJAEVOECPJ-UXBLZVDNSA-N	303.774	3.651	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1conc1CC	491136932	WPHXQOIYFHFFCN-GDNBJRDFSA-N	323.396	3.907	50	20	DHGD	
CCCN(N=Cc1cccc(OC)c1OC)C(=O)OC(C)(C)C	495676990	KIDIGIAXCFZBGH-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc2ccccc2c1OC(F)F	495721499	QMFKGUJLRXQOGB-UHFFFAOYSA-N	322.311	3.863	50	20	DHGD	
O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccc[nH]1	725854689	BZDSDMFMYGBWIJ-UHFFFAOYSA-N	305.337	3.571	50	20	DHGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(-c2cccc(C)c2)c1	726764928	PPPWYJSWFPOISK-XMHGGMMESA-N	320.392	3.722	50	20	DHGD	
CCCCCC[C@H]1CCCC1=NNC(=O)Cc1cccnc1	728786541	MAVNHHVSZNASRR-INIZCTEOSA-N	301.434	3.867	50	20	DHGD	
Cc1cc(F)ccc1C=NNC(=O)NCc1ccc(Cl)cc1	732927209	HETFITHVHNDGJU-UHFFFAOYSA-N	319.767	3.621	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc(C)c1O	741472350	HJGONKJBLSHVDQ-RIYZIHGNSA-N	304.353	3.653	50	20	DHGD	
CCC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(F)cc1	744774127	YEZWPOPIJDZHOH-UHFFFAOYSA-N	320.751	3.729	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2ccc(-n3cccc3)cc2)c1	748381030	GVLKLZWVMYHJLC-UHFFFAOYSA-N	319.408	3.780	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cnc4cccc(C)n34)[nH]c12	749005940	OSXDYHPCMUNZHM-ZROIWOOFSA-N	313.364	3.892	50	20	DHGD	
CCc1sc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)cc1C	751173266	AICPZDUOBFXFEB-UHFFFAOYSA-N	321.354	3.755	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cnnc2ccccc12	753341981	UFNYBCNAMPIZDJ-UHFFFAOYSA-N	300.406	3.679	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCCCC2(C)C)cc1	757574542	FUAWYTSTEFOXAH-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
Cc1cccc(C(=O)NN(C)c2ccccc2)c1Br	757725332	JIUSSIGZGTTWRC-UHFFFAOYSA-N	319.202	3.539	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cncc(-c2ccccc2)c1	758292170	NGPWLNMHQRLXQW-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1nc(C(C)C)n2ccccc12	762604303	NYUDENQZUZKZJD-QINSGFPZSA-N	324.428	3.671	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccccc1O)c1cccc(Cl)c1	763339549	QPQLUZFRZGAGAM-LLVKDONJSA-N	302.761	3.565	50	20	DHGD	
Cc1cccc2c1N(C(=O)[C@H](Br)C(C)(C)C)CC2	768225475	FOXZNUDTCCZUMC-ZDUSSCGKSA-N	310.235	3.694	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc3c[nH]nc3c2)cc1	768791368	UWPPUGMDBCJTFX-CAOOACKPSA-N	317.348	3.522	50	20	DHGD	
CCC[C@H](C=NNC(=O)c1ccc(C#N)cc1)c1ccccc1	769573207	BAYROSXCOCEDQZ-GOSISDBHSA-N	305.381	3.858	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ncoc1-c1ccccc1	770371167	VDIJEJGDZMFFQP-SNVBAGLBSA-N	324.174	3.529	50	20	DHGD	
COc1cccc(NC(=O)NNc2ccccc2Cl)c1F	771250960	JSVCEVOEUKIABC-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2cnc3ccccc3n2)cc1	774794978	QDLFDOIMOGAJRL-ZDUSSCGKSA-N	320.396	3.900	50	20	DHGD	
C[C@@H]1CC[C@H](NC(=O)NNc2cc(C(F)(F)F)ccc2F)C1	780798710	YQVABQZYTFUUEP-SCZZXKLOSA-N	319.302	3.659	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@H](C)C[C@H]2C)cc1OC	783810978	RBILWJSZNNMMTD-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)[C@H](C)C1	783856536	YLQYJCGTSZCUBF-WDEREUQCSA-N	316.430	3.680	50	20	DHGD	
O=C(NN=CCC1CCOCC1)c1c(Cl)cccc1Cl	788714650	GIJLRQIVOPISAF-UHFFFAOYSA-N	315.200	3.526	50	20	DHGD	
C=C(CBr)CN[C@H](CC)c1ccc(F)cc1F	791490433	PZYZSMULBPILTD-CYBMUJFWSA-N	304.178	3.957	50	20	DHGD	
C=C(CBr)COC(=O)CCCc1ccc(C)s1	795541745	LOHJDJFANAYPPA-UHFFFAOYSA-N	317.248	3.874	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2c(c1)CCC=C2	802831562	QSXPKIMSNCNQRJ-UHFFFAOYSA-N	318.298	3.820	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccc(C(F)(F)F)s1	807032960	ACUKGUQQNAOKDS-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)nc1	810041819	DBYDJDHDPFNRPT-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3c(c2)C(C)(C)CO3)c1	810684554	ZPFCRTBFIZSQCN-UHFFFAOYSA-N	310.397	3.730	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cc3c(s2)CCC3)s1	814738595	FXMMBIYBSVQERG-UHFFFAOYSA-N	322.480	3.784	50	20	DHGD	
CO[C@H]1CCC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)C1	815853272	DHQFOESINUKDDN-ONGXEEELSA-N	317.216	3.642	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2Cl)nn1C(C)C	817359399	SDHCCQMBBPIVNJ-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(Br)c1)C1CCC1	824208939	KKSIYCHRPLSWCJ-UHFFFAOYSA-N	311.223	3.719	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCC[C@H]1c1ccccc1	827516108	MFUKJAIPIOTHNO-GJZGRUSLSA-N	320.396	3.590	50	20	DHGD	
CN(Cc1ccc(C(=O)O)cc1)/C(=C/C#N)c1ccc(F)cc1	833695839	ALPHJQVATJIFHO-LICLKQGHSA-N	310.328	3.520	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCCC[C@H]2CCCCO2)cc1	838553640	JLCPGOPRNQUZRE-QGZVFWFLSA-N	319.449	3.785	50	20	DHGD	
O=C(/C=C\C1CCCC1)NNc1ccccc1Br	843830711	JURXVWNLRJPTRF-KTKRTIGZSA-N	309.207	3.639	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ccc(OC(F)F)cc2)CC1	843832605	CMCSOJADPPFRPA-GFCCVEGCSA-N	310.344	3.868	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849244449	BLEJEWYFTYYASR-QDDJLWQGSA-N	313.397	3.767	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cccc(C(C)C)c1	853003792	PXWQKDDRKSQBEC-PDGQHHTCSA-N	314.429	3.648	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C[C@]1(C)CC1(Cl)Cl	855370088	NGFBERNEYMHKKZ-GFCCVEGCSA-N	305.180	3.551	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(Cl)cn1	856092399	UQGUWZFJOPQXHS-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cnn(CC3CCC3)c2)ccc1[N+](=O)[O-]	899366514	MBMAKRFXRBLHCT-IUXPMGMMSA-N	322.368	3.964	50	20	DHGD	
CSc1cccc(N(C)C(=O)[C@@]2(C)C[C@@H]2Br)c1	906504504	IJFVBAOUAYCQHI-AAEUAGOBSA-N	314.248	3.545	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CCc2ccco2)C1	912585382	TWPBSWBPVALCCU-OAHLLOKOSA-N	323.509	3.835	50	20	DHGD	
COc1cccc2cc(C=NNC(=O)Nc3ccccc3C)oc12	915971254	LQGCIJWBUMXDLF-UHFFFAOYSA-N	323.352	3.905	50	20	DHGD	
CCC(=NNC(=O)COc1cc(C)cc(C)c1)c1cccs1	916295630	YPYOCTIPRZUCDQ-UHFFFAOYSA-N	316.426	3.674	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C/C=C\c2ccccc2)cc1	916345533	DTNPRUQJCVMZAA-QSXGVXJZSA-N	310.422	3.903	50	20	DHGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC3)c2C)c1	920433319	RQPVQAJBZKIIHT-LDADJPATSA-N	319.408	3.542	50	20	DHGD	
Cc1nc(C)c(CNC(=O)NNc2cc(Cl)ccc2C)s1	920488100	NLDYWLJHGKFTGC-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(Oc2ccccc2)CC1	1118062256	MJMBBNPJPLFPPP-UHFFFAOYSA-N	310.397	3.612	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)OC[C@@H](C)CBr	1325675442	GMYFQZAURUNMEF-VIFPVBQESA-N	321.161	3.661	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1cncn1-c1ccccc1	1330008998	DIURRWVMWUCLKR-OAHLLOKOSA-N	322.412	3.724	50	20	DHGD	
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)[C@@H](F)Cl	2088605175	NCSUWFZKGHLMHJ-SNVBAGLBSA-N	302.733	3.507	50	20	DHGD	
N#C/C(=C\c1cccnc1)C(=O)Nc1ccccc1C(F)(F)F	6633595	VVGHJJSUXBHGDV-XYOKQWHBSA-N	317.270	3.646	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cc(Cl)c3c(c2)OCCO3)n1	8207568	PQHROSSXQGJIRO-NYYWCZLTSA-N	318.785	3.940	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1C	48332144	RNBDLDGOWHXJFU-PXNMLYILSA-N	305.333	3.822	50	20	DHGD	
O=C(NCc1cccs1)NNc1ccccc1C(F)(F)F	53494474	FMQLHOCRFMFRAR-UHFFFAOYSA-N	315.320	3.593	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	118766001	WEUYZURMRNHJBW-LBPRGKRZSA-N	313.873	3.827	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccc(CCC(F)(F)F)cc1	122164224	ZHMUWWKVYRTLLU-UHFFFAOYSA-N	324.306	3.725	50	20	DHGD	
Cc1ccc(Br)c(C(=O)NNc2cccc(F)c2)c1	155101540	MOCKDKKXFNPIDH-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCC[C@H](C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	170812231	RUQJQVKWOSAUSM-VIFPVBQESA-N	317.216	3.581	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC3(CCCC3)C2)cc1	173736401	RFSMGQUGJREPKS-GHRIWEEISA-N	324.424	3.785	50	20	DHGD	
O=C(NNc1ccnc(F)c1)C1CCC(c2ccccc2)CC1	182499759	KXSGUDYBHCGULT-UHFFFAOYSA-N	313.376	3.638	50	20	DHGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)NC2CCCC2)c1	255895453	XLXQTPYOSZPQPU-LCYFTJDESA-N	320.339	3.562	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1	270898631	FDIAAQVMNUDFDN-QWHCGFSZSA-N	321.207	3.779	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C)c(CC)s2)cc1	294319545	LIKLJJIGSZJOIH-UHFFFAOYSA-N	304.415	3.775	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC2(CCC2)[C@@H]1C1CC1	366357640	IOWJXOPHPITNMJ-RYUDHWBXSA-N	314.267	3.587	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@@H]1C[C@H]1c1ccc(Cl)s1	369477429	USGIVDZXTAFSKD-GHMZBOCLSA-N	310.781	3.787	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	376321216	YPPZAQUQMMOOID-LGBHXNNWSA-N	320.383	3.886	50	20	DHGD	
Cc1ccc(C(C)(C)CNC(=O)NNc2ccc(F)cc2)cc1	728753755	VHMUBXNGPRTMLC-UHFFFAOYSA-N	315.392	3.738	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)c3cccc(N(C)C)c3)C2)cc1	729816816	PRHFXPQKHJEBQY-UHFFFAOYSA-N	321.424	3.724	50	20	DHGD	
COc1cc(C)c(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1OC	751513457	PGPZQYPWHZYQDO-DHDCSXOGSA-N	324.336	3.985	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(F)c1)C12CC3CC(CC(C3)C1)C2	755519305	RCGWXJWNCJDLEZ-UHFFFAOYSA-N	318.367	3.631	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(F)cc(Cl)c1	757391104	VYJHSYSFPNBGMV-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(COC1CCCCC1)NNc1c(Cl)cccc1Cl	763609576	XDKLPOBVPRZEQV-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2cc(C)oc2C)c2ccccc2n1	767893422	PNGXFSYZAAZSNK-UHFFFAOYSA-N	307.353	3.517	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C[C@H]1CCC[C@@H](C)C1	768348927	CHIOKCKPSDAUKO-RDBSUJKOSA-N	306.381	3.521	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)c1nc(-c2ccccc2)no1	770570690	JDLQZOAQJOHDNP-OQLLNIDSSA-N	316.295	3.812	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)SCc1ccccc1	771713907	YSQYOXHXAONAEH-ZDUSSCGKSA-N	318.417	3.899	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2ccc(F)c(C#N)c2)ccc1[N+](=O)[O-]	774558579	LOCSXBHUSWPIJS-VGOFMYFVSA-N	307.284	3.978	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(Cl)cn2)cc1	778078210	DAOHXDSWPGPZDY-ZSOIEALJSA-N	312.756	3.694	50	20	DHGD	
CCC1CCC(N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	786905735	WCHSBQIXVYBFFW-VBKFSLOCSA-N	312.413	3.726	50	20	DHGD	
CCC1(CC)CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	787540323	FLLWFEAOJZKWMB-SSZFMOIBSA-N	312.413	3.728	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc2ccccc2[nH]1)c1ccccc1	788430209	TWQBXWMSCMKDJU-QGZVFWFLSA-N	305.381	3.812	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccsc2Cl)c1	790099392	FZWDHEIBXQHRLB-ZSOIEALJSA-N	316.813	3.933	50	20	DHGD	
COc1cc(NNC(=O)Cc2cc(C)ccc2C)ccc1Cl	790175688	PWZJONMTSSDGKM-UHFFFAOYSA-N	318.804	3.651	50	20	DHGD	
CC(C)(C)CC(=O)NN=C(C[C@H]1CCOC1)c1ccc(F)cc1	792999142	LCUIHKXMISKPFQ-CYBMUJFWSA-N	320.408	3.509	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)C1CCOCC1	794958498	MUNODRBLYJGQJQ-XNTDXEJSSA-N	324.405	3.713	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794964864	JUNGDRDIISQJGC-DHDCSXOGSA-N	303.321	3.630	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H]1CCCc2ccccc21	795419822	ASHAOFMWSMFPRE-CQSZACIVSA-N	309.203	3.601	50	20	DHGD	
C=C(CBr)COC(=O)CCc1ccc(C)cc1C	795419945	KHANHGQTSVAXSW-UHFFFAOYSA-N	311.219	3.730	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)c1nc(-c2ccccc2)no1	798344443	GDBDUUZUYSOIDY-DHDCSXOGSA-N	319.368	3.887	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@H](C)C(C)(C)C)o1	800810957	AXELJISNPSVBNK-ZDUSSCGKSA-N	307.438	3.519	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc(F)c1Cl	806771663	SZBZUERWSHVMBL-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCC2CC(F)(F)C2)cc1	813771209	RIXUOSIHQGHNRJ-UHFFFAOYSA-N	311.376	3.656	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(C)nc1C	814688031	GLSUDYYPOUYXLU-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccccc1F	815004734	AQSNWYGCCVEVNH-UHFFFAOYSA-N	307.275	3.650	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCC[C@H]1CCOC1	837067327	WOKLSZJVSXSTCR-UONOGXRCSA-N	317.520	3.633	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)OCCO2)c1nc(C2CC2)cs1	843264862	KMYSFKDFAPTLLE-QPEQYQDCSA-N	310.378	3.856	50	20	DHGD	
COc1ccc([C@H](C)NC[C@]2(C)C[C@@H]2Br)cc1F	851894254	XDGCMRQUNYHHRD-HERUPUMHSA-N	316.214	3.658	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1)NC1CCCCC1	853265294	NIAAJJGQOBYUEK-NWDGAFQWSA-N	319.371	3.973	50	20	DHGD	
CCc1ccc(CC(=O)NNc2c(C)cccc2C(C)C)nc1	854579481	QKYXKNKYTVNPBU-UHFFFAOYSA-N	311.429	3.762	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc([C@@H](C)C(F)(F)F)cc2)n1	862520003	ZZAAKURCMNWQBD-LLVKDONJSA-N	323.318	3.813	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(F)c(Cl)c1	863081254	DISQLJWLTCGVPA-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)c(N(C)C)cc1F	863189974	KEYRWEHIKPZTRH-KPKJPENVSA-N	306.356	3.943	50	20	DHGD	
CC(C(=O)NNC(=S)Nc1cccc(Cl)c1)=C1CCCC1	873784900	JKXGGELAFAELMJ-UHFFFAOYSA-N	323.849	3.548	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(Cl)cc2F)CCO1	885107507	HJUYELRUZQBUHB-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(C#N)ccc1Br	899336015	OPGBFZSIOGKZLS-GHXNOFRVSA-N	317.186	3.843	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)[C@]2(C)C[C@H]2Br)c1	907018592	NTACIEQULWEITP-ZYHUDNBSSA-N	302.599	3.760	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	915968976	CVFDURUHNXXNOQ-UHFFFAOYSA-N	321.833	3.960	50	20	DHGD	
O=C(NN=Cc1ccc2ncccc2c1)c1cc2c(s1)CCC2	916315435	SGAKOZUSKBTLHD-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	916337583	CHTWOGJQPBIYTK-WNOSKKOXSA-N	321.424	3.639	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cccc(C)c2)c1	916610087	GMNBNNROFCVJRJ-YVLHZVERSA-N	307.349	3.654	50	20	DHGD	
Cc1ccc2c(c1)CCC2=NNC(=O)c1ccc2ccccc2n1	921252598	GEWFSSZNXQWDJQ-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)c2cccc(Cl)c2)c1	921255322	OXZHAWUKVYQTEB-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
O=C(CCl)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1	953055196	VOMKIVQLXKGOJA-UHFFFAOYSA-N	323.179	3.770	50	20	DHGD	
COc1ccc(-c2cc(NC(=O)CCl)ccc2OC)cc1	1324702460	YWVYTUNRVWZMKN-UHFFFAOYSA-N	305.761	3.548	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)c1ccccc1Cl	1326359336	RKFGCLQPSZFMGI-ZDUSSCGKSA-N	322.836	3.874	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)c1	6949924	SRHGWSSPDYUSSY-PTNGSMBKSA-N	322.364	3.640	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1csc(C2CC2)n1	66407683	IBFRFOCWGQXENF-UKTHLTGXSA-N	303.431	3.624	50	20	DHGD	
O=C(NNc1ccccc1)Nc1cccc(-c2nccs2)c1	120193656	DIVGHDHHTNZDBG-UHFFFAOYSA-N	310.382	3.959	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	121786087	CCGFEFPESBWPIQ-KAMYIIQDSA-N	322.364	3.558	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1ccc(F)cc1	128676975	GOVCDNAAFVVLJA-BJMVGYQFSA-N	320.245	3.789	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)c(C)s1	155883287	SSSFAKYGNGFNGZ-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(C)C)cc2)c1	157314317	WUWZORAPDQNZHN-UHFFFAOYSA-N	302.349	3.715	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	172091480	AYWBPNKRKGDLNV-JXMROGBWSA-N	306.287	3.651	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CCCS2)cc1	181646493	DGKAHGQFEXLDDN-AWEZNQCLSA-N	307.463	3.506	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(F)c2C#N)cc1	187697395	MBTGQVJYBXSAOL-UHFFFAOYSA-N	311.360	3.752	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)c1C	211572344	RMDWTLQTDKCFPD-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
COc1ccccc1[C@@H]1CCCN1C[C@@H](C)CBr	248697308	KASAUVYAGMXIDD-JSGCOSHPSA-N	312.251	3.863	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	255154267	PDZUEAIWZIDVPT-ATTDUZETSA-N	320.323	3.906	50	20	DHGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)[C@H](C)CC)cc1OC	263682571	PEVOYEXUKGIFQP-ZBQKXELDSA-N	317.385	3.625	50	20	DHGD	
Cc1sc(CC(=O)NNc2cccc(Cl)c2)nc1C(C)C	278898175	ABJGASOSZUJYJH-UHFFFAOYSA-N	323.849	3.914	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cnc(-c2ccc(C)cc2)s1	490664203	PCNGLTAXOTVBHG-NTEUORMPSA-N	311.410	3.552	50	20	DHGD	
N#C/C(=C/c1sccc1Cl)C(=O)NCc1ccccc1	491104283	NIOOTQQAXKVBFI-WQLSENKSSA-N	302.786	3.625	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)c1cc(F)cc(F)c1	588597436	KGDFGCFUDZXGCP-JYOAFUTRSA-N	303.239	3.599	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)CCCc2ccccc2)c1	727689408	OXHKPHKQFYOLQC-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
COC(=O)NN=C(C)c1ccc(OCc2ccccc2C)cc1	727779653	NXYSSHAWTSGHIK-UHFFFAOYSA-N	312.369	3.654	50	20	DHGD	
Cn1cc(C(=O)NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@H]23)c2ccccc21	744780365	LULFWXPVYVTEJM-HOSILWTGSA-N	321.424	3.720	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1)C(C)C	747609179	NLCJRMHBURLWBL-GFCCVEGCSA-N	320.380	3.926	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1Cc2ccccc21	748009738	SRSFXGHBUVHBPS-GFCCVEGCSA-N	307.180	3.776	50	20	DHGD	
CC(C)(C)c1ccccc1OCC(=O)NNc1cccc(F)c1	748089751	NRNNCXVFADCZCX-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2coc3cc(F)ccc23)c1	748367200	ZQZCKHLJJNOCTD-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)SCc1ccccc1	748570796	MYLPAKPVISDETB-ZDUSSCGKSA-N	318.417	3.899	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)CC	748629777	OMSBJTILDUFOSA-MJYGYMJXSA-N	323.318	3.933	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)CCc2ccccc2)cc1	749744742	ILEANEQPOACTMJ-UHFFFAOYSA-N	310.397	3.557	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)c1cc2ccccc2o1	749832115	RUEVJGAFFBIGIE-UHFFFAOYSA-N	321.311	3.817	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H]1CC12CCC2	753167754	CWJPOKRCGIFXMF-LBPRGKRZSA-N	323.234	3.645	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	755033826	IFPHBGXJZCWBCG-LBPRGKRZSA-N	313.357	3.865	50	20	DHGD	
CC1=C(C(=O)NN(Cc2ccccc2)c2ccccc2)CCCO1	755424619	BTWINJLTBBCHBP-UHFFFAOYSA-N	322.408	3.809	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)c1cccc2ncccc12	755699481	GERDTAOPWXSPFO-QAPCUYQASA-N	315.376	3.754	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(Cl)c(F)c2)CC1	759663306	WCIWIKCYHVRQAE-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)COc2ccc3ccccc3c2)c1	760141810	VLTBPLCGBHRUOU-UHFFFAOYSA-N	324.355	3.809	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)C1Cc2ccccc2C1	762140867	VYEXDSYCMROZSP-UHFFFAOYSA-N	321.207	3.852	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	762247061	DILKFBSMGPTXKZ-VIFPVBQESA-N	303.328	3.616	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1ccc(F)cc1)c1cccc(Cl)c1	763355780	YEFPYFCOHKVASD-GFCCVEGCSA-N	318.779	3.927	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccccc1C(F)(F)F	769437617	XGUZMTMMZNWREC-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2)c1C	770567432	SUBNOHJWUUAAPD-SXGWCWSVSA-N	319.339	3.860	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=C1CC(c2cccc(F)c2)C1	781587110	NXERRJLGJRXAPK-UHFFFAOYSA-N	314.335	3.557	50	20	DHGD	
Cc1ccccc1-c1noc([C@@H](C)OC(=O)/C(C#N)=C/C2CC2)n1	786673909	MXTPQLLWWZKCJH-ZMTLZGASSA-N	323.352	3.509	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1cccc(F)c1[N+](=O)[O-]	790590930	GBVHDSFKLIVCGZ-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)no1	791732077	AOKGBCDKADTNRC-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc(CC(F)(F)F)cc1	792314532	TXRYKTGMSQYGTJ-UHFFFAOYSA-N	324.306	3.643	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC3(CC2)CC3)c2ccccc2n1	792627290	MQCOHYIADWGFFA-UHFFFAOYSA-N	307.397	3.983	50	20	DHGD	
CSSCCNC(=O)N[C@@]1(C)CCCc2ccccc21	806812405	JEAHGWLQYPDHCE-HNNXBMFYSA-N	310.488	3.549	50	20	DHGD	
Cn1nccc1[C@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808756413	KQXVZSRUBKIFIF-MRXNPFEDSA-N	323.557	3.969	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c(Cl)c1	812245570	UUNXLIKXASEIPV-WDZFZDKYSA-N	315.716	3.716	50	20	DHGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1	814684586	ZYXXIGUARRSGEG-AWEZNQCLSA-N	323.352	3.648	50	20	DHGD	
CC[C@H](C=NNC(=O)Cc1ccccc1OC)c1ccccc1	814812683	IMIRVAUHUYMGAC-OAHLLOKOSA-N	310.397	3.534	50	20	DHGD	
O=C(NN=Cc1cccc(O)c1Cl)c1cc2ccccc2o1	814866962	LPCQRIWRRGXTNT-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
CC1(C)CCC[C@@H](C=NNC(=O)CSc2ccccc2O)C1	814971511	HPDGDWYEHGCQEL-CYBMUJFWSA-N	320.458	3.803	50	20	DHGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747943	ORCQVGFODRXNTR-PSASIEDQSA-N	302.205	3.658	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ncc(Cl)cc1Cl	829748631	SVMJRTVPTOMCIQ-OQPBUACISA-N	302.205	3.658	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1cc(C(F)(F)F)ccn1	832967735	BGHLTSRVNRBTFX-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2ccc(OC(F)F)cc2)CC1	836779472	RGJXOMYHHDXGNM-UHFFFAOYSA-N	310.344	3.868	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cccc(F)c1	839423924	CEQXSBSQRHBAQF-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
CC(C)COc1ccc(C(=O)N(C)CC(Cl)Cl)cc1	848081167	ZQCISKJNSCLPLG-UHFFFAOYSA-N	304.217	3.597	50	20	DHGD	
C=CCC[C@@H](C(=O)N(C)CC(Cl)Cl)c1ccccc1	848084335	LSRWQUSSWYQHBI-CYBMUJFWSA-N	300.229	3.999	50	20	DHGD	
CC(C)(C)OC1CCN(C[C@@H](CBr)C2CC2)CC1	859163224	FEICJMFWRRLSSR-CYBMUJFWSA-N	318.299	3.687	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	885143018	QBPKVSWTOPKEKX-QQJLWGBUSA-N	324.346	3.716	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1F	916309409	BJWNKUIAQXUIAE-UHFFFAOYSA-N	314.404	3.882	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)ccc1Cl	928339779	KMNSDCMGQUYMNB-XJKSGUPXSA-N	324.852	3.933	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1coc(C(C)C)n1	1256567999	RHVRPFSIPRACLR-UHFFFAOYSA-N	305.765	3.605	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccnc2N(C)C)cc1C	1261147443	ZFXXMFNGHUSSSP-BOPFTXTBSA-N	305.381	3.554	50	20	DHGD	
CSc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1	1317823283	XDYVZILBSBPXEY-JLHYYAGUSA-N	318.405	3.998	50	20	DHGD	
COc1cc(C#N)ccc1Oc1ccc(NC(=O)CCl)cc1	1319683146	XYHKYPALIDBJIU-UHFFFAOYSA-N	316.744	3.536	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCOC[C@H]1c1ccccc1	1335799332	HKOXBTQIDQODMJ-KRWDZBQOSA-N	315.800	3.639	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1605022285	JYVMRWBGNDVUCZ-LBPRGKRZSA-N	322.380	3.574	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)cc1	1777465242	ZXEZAEDPPDFUQI-WUSHYMHTSA-N	317.344	3.883	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN(C)c1ccccc1	15832456	YSPBHHPMLOPKLU-UHFFFAOYSA-N	323.421	3.900	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)c1c[nH]c2ccccc12	84578599	SUULNHPXHFMROX-UHFFFAOYSA-N	315.417	3.535	50	20	DHGD	
Cc1cc(C)n(-c2ccc(C(=O)NNc3ccccc3C)cc2)n1	120304629	ADZKXRVUCFHULG-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CC(C)c1ccc(OCCC(=O)NNc2cccc(C#N)c2)cc1	152472745	HSYFMFBXYDDSLH-UHFFFAOYSA-N	323.396	3.594	50	20	DHGD	
Cc1cscc1C(=O)NNc1ccc(C(F)(F)F)cc1	153767512	MZGVGVSCEWHJRJ-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
O=C(Cc1c[nH]c2ccc(Cl)cc12)NNc1cccc(F)c1	154824429	VUFMCYIRQKYTTA-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2cc(C)ccc2C)cc1	158994928	JGACMNRAGYJPCT-UHFFFAOYSA-N	312.413	3.733	50	20	DHGD	
CC(C)n1cccc1C(=O)NNc1ccccc1C(F)(F)F	179363436	ZVMCZTJGAXLQFS-UHFFFAOYSA-N	311.307	3.845	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1sccc1C	182251055	PCVLFHONNACGPW-FMIVXFBMSA-N	313.378	3.864	50	20	DHGD	
CSC1(CNC(=O)NNc2ccc(C(C)(C)C)cc2)CC1	195136320	GDKLZJVUWDYETQ-UHFFFAOYSA-N	307.463	3.506	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1	284102023	LHRZELJPKFNOCI-FMIVXFBMSA-N	315.398	3.616	50	20	DHGD	
CCOc1ccc(NNC(=O)CCCc2cccs2)cc1	294446306	TYSNLGCALKDNCQ-UHFFFAOYSA-N	304.415	3.613	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)s1	731155420	FYRDRPJNCIJZHE-QINSGFPZSA-N	310.422	3.576	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(N(C)C)cc1)c1ccccc1	731932085	YFACVTXTBZQGLP-IBGZPJMESA-N	323.440	3.787	50	20	DHGD	
O=C(NCc1ccc(Cl)cc1)NN=Cc1ccc(Cl)cc1	732927794	WVMBWCMXKHXSAR-UHFFFAOYSA-N	322.195	3.827	50	20	DHGD	
Cc1cccc([C@@H](C)CNC(=O)NNc2c(F)cccc2F)c1	741427201	XROMZJGEGWBYDF-LBPRGKRZSA-N	319.355	3.703	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@H](C)c1ccccc1	746368959	PXFPYBZJQJLABI-NSHDSACASA-N	316.788	3.955	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2CCCCC2)cc1C(F)(F)F	746895647	GJYAPQSIOZATFT-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1cccc2c1CCCC2	748573573	COLDKGODKOBXES-KSSFIOAISA-N	316.445	3.604	50	20	DHGD	
Cc1ccc(NNC(=O)CCCOc2ccc3c(c2)CCC3)cc1	749193374	JAYKKAXQCULAGW-UHFFFAOYSA-N	324.424	3.786	50	20	DHGD	
CC(C)C[C@H](C)OCCC(=O)NNc1ccc(Cl)c(F)c1	755832253	CMIGNVXMZBFFRZ-NSHDSACASA-N	316.804	3.764	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	756011535	APYGELHWELUJDG-BFHYXJOUSA-N	320.408	3.884	50	20	DHGD	
CC(Cc1cccc(F)c1)=NNC(=O)Cc1c[nH]c2ccccc12	759192381	PZHNRXQMTVDMIS-UHFFFAOYSA-N	323.371	3.584	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCCC[C@@H]2C(C)C)c1	764666259	KCUFPXNWDTWJQF-MRXNPFEDSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2F)cc1	764892672	XYPYQUZQMKGMQY-ZSOIEALJSA-N	310.284	3.832	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cccc(C#N)c2F)cc1	774889048	JVTMJRFNCJIEBK-MFOYZWKCSA-N	320.323	3.656	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccc2ccccc2n1	777465670	WHGSWHFICMBQLB-MRXNPFEDSA-N	319.408	3.947	50	20	DHGD	
C=CCc1cc(/C=C(\C#N)C(=O)C2CCCC2)cc(OC)c1O	781556453	XKMPPDRGMZULBF-MHWRWJLKSA-N	311.381	3.796	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cc(Cl)cs2)c1	782136686	WZYRRLUFZYVLKQ-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc2cnccc2c1	782169753	UPXGYZUAWOOTIR-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(Oc2ccc(OC)cc2)cc1	783683893	BMKUVTOTWZPOTR-NTCAYCPXSA-N	323.348	3.958	50	20	DHGD	
CC1(C)CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc21	787435492	SCCAIYMXAFQPKX-RVDMUPIBSA-N	318.376	3.624	50	20	DHGD	
C[C@H](CCNC(=O)/C(C#N)=C\c1ccc(O)cc1)CC(C)(C)C	787569759	LOTOWICXQHBPGY-VQCBNXJZSA-N	314.429	3.878	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)c1cnc2ccccc2n1	790228726	YNEMGQHXOWCECO-ZSOIEALJSA-N	300.296	3.705	50	20	DHGD	
C=C(CBr)CN(CCOC)[C@@H](C)c1ccccc1	791452403	JSSFOQSYIZTIPF-AWEZNQCLSA-N	312.251	3.647	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCCC2)C(=O)Nc1nccs1	792865649	GESICCIKLJNMEM-XNTDXEJSSA-N	309.394	3.568	50	20	DHGD	
Cc1ccc2c(C(=O)NNc3cccc(C#N)c3)csc2c1	795193470	QNCKEKBDFTYFSX-UHFFFAOYSA-N	307.378	3.838	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccc(Cl)cc1	799756463	DDZLUFSYKSYYKP-UHFFFAOYSA-N	302.805	3.897	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c(Cl)c1	805383841	QYDNBWJUDCQSJH-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CO[C@H]1C[C@@H](NCc2ccc(OCCCCl)cc2)C1(C)C	811483978	SVVMVBXMGRRXOA-CVEARBPZSA-N	311.853	3.597	50	20	DHGD	
N#C[C@@H]1CCCC(=NNC(=O)Cc2cccc3ccccc23)C1	814792476	RILBQQOKYNFKLB-CQSZACIVSA-N	305.381	3.568	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1cnnc2ccccc12	825836443	ZZSHSNKIEGYQLP-ZDUSSCGKSA-N	300.406	3.535	50	20	DHGD	
COC(=O)c1ccc(NNC(=O)C[C@H](C)CC(C)(C)C)cc1F	837051400	HGXVDQYAQNUBDQ-NSHDSACASA-N	324.396	3.518	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CC(=O)c3ccccc32)cc1	837056482	AHWKIUHUEDEWEU-KRWDZBQOSA-N	308.381	3.623	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@H](O)[C@H](C2CCCC2)C1	839201051	DDQFPGQSEUUVTK-QJBPEIAASA-N	314.404	3.563	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@H]1C[C@H]2C=C[C@H]1CC2	842528305	VVSGBSMBNCPFOY-SGMGOOAPSA-N	318.804	3.754	50	20	DHGD	
N#CC1=CCN(Cc2oc3ccccc3c2Br)CC1	851884054	MYSSXCJBIVKCIZ-UHFFFAOYSA-N	317.186	3.851	50	20	DHGD	
CC(C)(C)c1ncc(CNC[C@]2(C)C[C@@H]2Br)s1	856807192	LVSRBVOBSIVURU-GWCFXTLKSA-N	317.296	3.704	50	20	DHGD	
COc1ccc(NC(=O)NCCSSC)c2ccccc12	861513359	HDRBEOUZMAOPJA-UHFFFAOYSA-N	322.455	3.981	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)c1ccnn1C1CCCC1	885107712	NZDBWKTVYRMLNH-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
CCCCOc1ccc(C(C)=NNC(=O)[C@H](C)CC)cc1OC	915976517	IBLJVUVQOGCSMA-CYBMUJFWSA-N	320.433	3.760	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c(C)nn(C(C)(C)C)c2C)c1	916978096	FYMPLJDMGDTARJ-UHFFFAOYSA-N	314.433	3.629	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2cc(C)c(F)c(C)c2)cc1	1319056843	BLEXDSSMLVMKAZ-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1F	1319571143	FOKZGGGUQHFXAZ-YDRQLGOLSA-N	324.355	3.619	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1CC	1341760203	OZYPZUSHAYLHEE-UHFFFAOYSA-N	322.330	3.986	50	20	DHGD	
CC/C(=C/C(=O)NNc1cccc(C(=O)O)c1)c1ccc(C)cc1	1594691712	ZCPFUCHYHAPONG-OWBHPGMISA-N	324.380	3.630	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccccc1OCc1ccccn1	25175028	GSWWRJNMHZDTPH-LFIBNONCSA-N	322.364	3.519	50	20	DHGD	
Cc1cccc(NNC(=O)c2csc(-c3cccs3)n2)c1	72752196	PGPRWPBKFFKPSI-UHFFFAOYSA-N	315.423	3.937	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2ccc(Cl)c(Cl)c2)c1	78240252	QAHRNRNAFDIGLP-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CCC[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	89472772	GLVIWUHXZJOYTN-KBPBESRZSA-N	317.520	3.728	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	132911645	GWETULPNLCTRSH-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
COc1ccc([C@H]2CCCN2C[C@@H](C)CBr)cc1	133581972	YARGZHIVOJCSNT-SWLSCSKDSA-N	312.251	3.863	50	20	DHGD	
Cc1ccc(Br)c(C(=O)NNc2ccccc2F)c1	153372083	PCRHQKVJEGGMBK-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1ccc2ccccc2c1	160904111	VNRDKUXCNSPMGJ-UHFFFAOYSA-N	308.356	3.973	50	20	DHGD	
CC(C)C[C@H](NC(=O)NNC(=O)CC(C)(C)C)c1ccccc1	170884180	GXAIFGLXGRKUFM-HNNXBMFYSA-N	319.449	3.540	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1	175227319	RQCVNCYGZNNUAC-KGLIPLIRSA-N	302.324	3.520	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)c(O)c(F)c1	175316888	SKRUAOZMQHSSNR-SDQBBNPISA-N	314.291	3.525	50	20	DHGD	
CC(C(=O)NNc1ccccc1OC(F)(F)F)=C1CCCC1	190209868	ZWBWJHFETQRPKX-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cn(C(C)(C)C)nn2)cc1	191224755	YZXSKJWIHLCGOJ-WJDWOHSUSA-N	322.412	3.775	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	211615344	QTTNUMBEEDVNLP-WJDWOHSUSA-N	300.402	3.543	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)cc2C)cc1	255014797	RTUXYPVSFHYKHV-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccc(Cl)cc1	295288663	JJASTKCYIAHKAZ-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])s2)cc1	490874537	GQKUKMDQTNKVQZ-FLIBITNWSA-N	313.338	3.510	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1nc2c(s1)CCCC2	726871516	VIULXEZJBVMVPI-UHFFFAOYSA-N	322.821	3.824	50	20	DHGD	
CC(C)c1cccc(NC(=S)NNC(=O)CC(C)(C)C)c1	728445884	MAUBWALZLYMEKA-UHFFFAOYSA-N	307.463	3.564	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1cccc(Cl)c1	729861985	HGRVWPIATFGZGI-OAHLLOKOSA-N	303.793	3.674	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1ccccc1OC(F)(F)F	730948081	XNEDAAZYMXNOGL-UHFFFAOYSA-N	314.307	3.616	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2cccnc2)cc1	733417002	OCIRCLXUSMNZBC-MPMPPSQCSA-N	322.364	3.692	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)[C@H](C)CN2CCCCCC2)C1	734978701	SFZQOWAIUCLZJF-CVEARBPZSA-N	307.482	3.571	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3nc(C)c(C)nc3c2)c1	743973548	HRMLQDFBQOWGAQ-UHFFFAOYSA-N	320.396	3.620	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2cc(F)c(F)c(F)c2)cc1	746758951	YWAPZCYHOMQECO-SNVBAGLBSA-N	323.318	3.800	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1ccc(Cl)cc1F	747643224	BWAYVIDPGXSLHD-WJFQHQKPSA-N	302.736	3.908	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2C)cc1	748730850	FEOAZMWTGRHQOB-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NN=Cc1cccc2[nH]ccc12)c1cc2ccccc2o1	755757362	FCKZCXZAUZJZDR-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(Sc2ccccn2)o1	766447407	NDRKDLVUMZFLOW-UHFFFAOYSA-N	317.414	3.712	50	20	DHGD	
COC1(C(=O)NNc2c(Cl)cccc2Cl)CCCCC1	773370403	ZXNRPUVXOWUSPM-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	773460008	USQUAWFLQMJMOI-GFCCVEGCSA-N	316.323	3.855	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Br)c1OC	773914741	HWPGRSRXIUFEJU-BKLZJWBFSA-N	322.202	3.980	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2nc3ccccc3cc2C)o1	777477228	HTCVGHQQRBKPPV-CYBMUJFWSA-N	309.369	3.691	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNc1cccc(Cl)c1	782840440	ODIOUTVNGXLCBN-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NN=C1CCC12CCCC2	788699638	FXUZPNNROBNPEM-UHFFFAOYSA-N	306.793	3.545	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCCCC1CCOCC1	790662761	DTEVORSRKXYIAK-LBPRGKRZSA-N	321.255	3.546	50	20	DHGD	
COc1ccccc1C(=O)NN=C[C@@H](c1ccccc1)C(C)C	794510513	QGBHCJJIPLQALN-QGZVFWFLSA-N	310.397	3.851	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1cc2ccccc2s1	794565404	GRWMJDKCLRGJJG-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(-c2ccccc2)nn1	795166498	VAXQSODECRZWPM-GOSISDBHSA-N	312.417	3.803	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)OC1CCCCCC1	795552725	XOJXYSBYGWHDPB-GFCCVEGCSA-N	319.239	3.609	50	20	DHGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)c2ccncn2)cn1	797789040	JAOTWYIFFKUTOY-WJDWOHSUSA-N	313.364	3.704	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(N(C)C)c(F)c1	799755151	IUCQBXQHUFXQND-UHFFFAOYSA-N	315.392	3.519	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC3(CCC3)CC2)cc1	804622905	JCYHKIRFUHVPSV-VKAVYKQESA-N	324.424	3.785	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccccc1Nc1ccccc1	808130180	YMNWUGABKISKMV-UHFFFAOYSA-N	309.196	3.964	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)nc1	810464822	HGWZWVUXAZOFBM-UHFFFAOYSA-N	307.756	3.754	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](CC)C(F)F)c1C	833204710	TXLLNSNYBCIZLH-AAWPKVBNSA-N	323.387	3.582	50	20	DHGD	
CNCCNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179268	MQMTVKZUGBFDNO-UHFFFAOYSA-N	319.299	3.685	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(C(F)F)cc1F	848084678	FFILTCWRKGWCKS-UHFFFAOYSA-N	300.107	3.639	50	20	DHGD	
Cc1ccc(NNC(=O)CC2(C#N)CCCCC2)c(Cl)c1	854844194	JQXAJIKJBFUDPR-UHFFFAOYSA-N	305.809	3.956	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)C1(Cc2ccccc2)CCC1	856093555	WRURLEGDXJEYCE-UHFFFAOYSA-N	315.804	3.591	50	20	DHGD	
C/C(=C\C(=O)NNc1nc2ccc(Cl)cc2s1)C1CC1	856234396	XDMCHGNTHFHEAV-SOFGYWHQSA-N	307.806	3.749	50	20	DHGD	
CC[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(C#N)cc1	857081552	GTSDDIAPJMNACA-RRFJBIMHSA-N	307.235	3.772	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NC[C@]1(C)C[C@H]1Br	857392009	XALHDEHJDOQLHS-YPMHNXCESA-N	316.626	3.552	50	20	DHGD	
C[C@]1(CNC(=O)CC2CCCCCC2)C[C@@H]1Br	857394978	VCUXUVHUDOMFGZ-GXTWGEPZSA-N	302.256	3.637	50	20	DHGD	
CC(C)(CC(=O)NC[C@]1(C)C[C@H]1Br)c1ccccc1	857404455	YHQDGYMIZNTQAU-CJNGLKHVSA-N	324.262	3.644	50	20	DHGD	
CCOc1cccc(CCC(=O)NNc2cc(C)cc(C)c2)c1	860317298	YRTRVPKAFFNMHK-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	865216499	CVLQHEXDWWZGFZ-VZUCSPMQSA-N	307.296	3.575	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(F)cc1Cl	885136616	DBZSMXYLIVTFMP-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cc(F)ccc1F	885139892	JTBIQMPXWWUDBX-UHFFFAOYSA-N	308.328	3.921	50	20	DHGD	
CC[C@@H](C)N(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	914527583	IVSNLPZJTZLSED-FNHQQPGVSA-N	315.461	3.925	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1C=CCCC1	1319086256	JSGKQULBZCSWEV-JTQLQIEISA-N	300.189	3.728	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)c1	1319112059	FLUKLGUIIRHDJK-WQRHYEAKSA-N	303.361	3.974	50	20	DHGD	
COc1cc([C@H](C)NC(=O)CCl)ccc1OCCC(C)C	1319785539	FSOBFWVBKRKAPH-LBPRGKRZSA-N	313.825	3.536	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ncc(Cl)s1	1321493528	ZQAVGRUMTWYXCE-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
C[C@@H](NCc1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	1334828993	TWHPNYLFWJTUJA-SSDOTTSWSA-N	305.268	3.907	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(C)[C@@H](C)c1sc(C(C)C)nc1C	153084434	XSKPTWQQFYPGST-VWLVURMCSA-N	321.446	3.538	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1cccc(C(F)(F)F)n1	155956696	JEWCCNCTLXYMBF-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
CC[C@@H](NS(=O)(=O)CCCCCl)c1ccc(Cl)cc1	163431673	LJCZJISGDLWKGK-CYBMUJFWSA-N	324.273	3.730	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	171540834	JRLBVZPXGGGDBZ-AZZDOICSSA-N	308.362	3.829	50	20	DHGD	
COc1ccc2cccc(CC(=O)NNc3ccc(F)cc3)c2c1	179123028	NMPXJMQCLIACLU-UHFFFAOYSA-N	324.355	3.673	50	20	DHGD	
Cc1cc(C)c(/C=C(/C#N)c2nnc3n2CCCCC3)c(C)c1	211852431	FBRDXEQVKXELAK-WJDWOHSUSA-N	306.413	3.994	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2nc(C(C)C)c(C)s2)c1	279511469	QRFGCRXODKEMFV-UHFFFAOYSA-N	317.458	3.878	50	20	DHGD	
O=C(C[C@@H]1C=CCC1)NNc1ccnc2cc(Cl)ccc12	725899530	AAYXGZQJKQLVLL-LLVKDONJSA-N	301.777	3.688	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc(Br)cc1	727848684	RLHRKZDOMYSYRN-LLVKDONJSA-N	313.239	3.965	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)OC1CCCCC1	728052581	QKAPCAWIZRUJHU-WDZFZDKYSA-N	309.287	3.887	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(F)c2F)cc1	730732925	RMCSCBQBKGITEK-NTEUORMPSA-N	319.332	3.612	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1cccc(Cl)c1Cl	735461446	HXVFSVRIAITIRP-NCXKZPMSSA-N	313.184	3.615	50	20	DHGD	
Cc1oc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)O	738969066	GZEGYJIZAQVIDV-WDZFZDKYSA-N	307.309	3.535	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(SCC(F)F)cc1	741761573	OGTHWDFXMUSGMH-JTQLQIEISA-N	314.401	3.930	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1coc2ccccc12	746576066	MNQJVMCMSJZMEJ-UHFFFAOYSA-N	306.365	3.906	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1cccc2cnccc12	748773237	FPQBOZRHWXXVHR-MRXNPFEDSA-N	319.408	3.947	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]1c1ccccc1	750185386	JRMKRRCOEIYGKR-ZTXRYZOMSA-N	305.337	3.906	50	20	DHGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)NCCc1ccccc1	750817733	JKOIQIUIACWCGI-RGEXLXHISA-N	316.404	3.830	50	20	DHGD	
CC(C)C1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	752475558	OZVVKBHJGHVZEL-LFIBNONCSA-N	300.377	3.627	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1Cl)c1ccncc1	758068393	GKQNXJKYNHZVAG-AWEZNQCLSA-N	313.788	3.789	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cnc1Cl	760211686	OQVSCOKRTWMXLP-XPCDHTMISA-N	317.820	3.645	50	20	DHGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)c3ccc(F)cc3)ccc21	761198016	DUBRRDKWKWTTOF-RIYZIHGNSA-N	305.312	3.502	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(F)c(Cl)c1Cl	761800944	RTPKFPKKIQEILN-UHFFFAOYSA-N	306.168	3.566	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cc(Cl)cc3cccnc23)o1	763180648	ZYRSKJVPFXMFSF-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(C(C)(C)O)cc2)cc1	767359678	IMMULMREQZMRBJ-UHFFFAOYSA-N	324.424	3.630	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc2occc2s1	770376087	VQXJINUTAWMYQK-ZETCQYMHSA-N	303.177	3.682	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)OC[C@H](C)CBr	770404128	PHQOSMYAZJZCQF-FBIMIBRVSA-N	317.248	3.734	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(C2CC2)cc1	770652369	CFHSEGWDVIVPPX-UHFFFAOYSA-N	311.389	3.626	50	20	DHGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1	772175276	IKHNUJRDZZMXGM-MKMNVTDBSA-N	324.286	3.657	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1CCc2c(Cl)cccc21	775781269	HEHFUSKQGOGCKI-AWEZNQCLSA-N	304.752	3.652	50	20	DHGD	
C=CCC[C@@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1	777762966	VFEWPJBTSGHTIS-GOSISDBHSA-N	322.408	3.506	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2ccc(F)c(F)c2F)cc1	778932033	KQFKYKJWVZPWFY-NSHDSACASA-N	322.330	3.734	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)CCc1ccccc1O	779777538	SNGBXWABJCPYDE-CQSZACIVSA-N	304.434	3.889	50	20	DHGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)C1CCCC1	781123414	BJHVEHWEOWWBOP-UHFFFAOYSA-N	301.777	3.529	50	20	DHGD	
CN(NC(=O)C1(c2ccc(Cl)cc2)CC1)c1ccccc1	789829747	UPXYMNLJAUOEQJ-UHFFFAOYSA-N	300.789	3.539	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=C[C@@H]1CCCSC1	794895696	HIZMHPKWDXVTQR-HNNXBMFYSA-N	312.438	3.628	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1ccccc1C(F)(F)F	795021105	LNGUIQBWPWCVFQ-UHFFFAOYSA-N	318.339	3.744	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnc(-c2ccccc2)[nH]1	799760867	QZMSAVCNAVVDDJ-UHFFFAOYSA-N	320.396	3.704	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(Cl)cc1	806094017	FWTMXARLZMCYOQ-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCOC(C)(C)C1	813118229	ITHDBIMGPZNLGS-AWEZNQCLSA-N	319.449	3.702	50	20	DHGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)CC1CC1	814988391	FAXBORVNSJNOGU-UHFFFAOYSA-N	312.335	3.930	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1cccc(Cl)n1	817005977	QYPFGGAVOZJBQA-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@H](C)c2cccc(F)c2)cc1	817885814	NWJWKEZRNJCHTD-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
Cc1cc2occ(CC(=O)N(C)CC(Cl)Cl)c2cc1C	819842920	FFRFCRLSXDILGE-UHFFFAOYSA-N	314.212	3.854	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCC2CC(F)(F)C2)cc1	835491861	NOZYCDYJXJEPCM-VGOFMYFVSA-N	321.323	3.581	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1ccnn1C(C)C	836220326	TVPSSGJEVWLEQW-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1csc(-c2ccccc2)n1	841619735	QTTQRPBJSGUVKB-NSHDSACASA-N	301.415	3.696	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccnn1CC(C)C	843262661	DJQWDUPTXNNMSV-MHWRWJLKSA-N	322.412	3.702	50	20	DHGD	
CCOC1CC(C(=O)NNc2ccccc2Cc2ccccc2)C1	846460965	ICWSXOMLCAFMDF-UHFFFAOYSA-N	324.424	3.536	50	20	DHGD	
N#C/C(=C/c1cc2ccncc2s1)C(=O)NC1CCCCC1	849177717	QLYCACDNEGBDRP-LCYFTJDESA-N	311.410	3.652	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCCc2ccccc21	916340449	IVEJRQKJQIOGGV-UHFFFAOYSA-N	317.392	3.567	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cccnc1C1CC1	928337417	QQXHFMDXPWOJTD-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
Cc1cnc([C@@H](C)CNC(=O)c2cccc(CCl)c2)s1	1120721892	QXOZBBNYDZBFLV-JTQLQIEISA-N	308.834	3.724	50	20	DHGD	
CC(C)[C@H](C#N)C=NNC(=O)c1cc2c(s1)CCCCCC2	1319612925	NXQLPPUFAGIDEF-CQSZACIVSA-N	317.458	3.918	50	20	DHGD	
CC(C)c1ocnc1COC(=O)[C@H](Br)C(C)(C)C	1323988306	IYFYQKFJDUPBPA-NSHDSACASA-N	318.211	3.651	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(F)c1	6951614	NIBJFPGRHWLVJX-UVTDQMKNSA-N	310.328	3.770	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1	33588122	ARJRIODXTMVTTN-APCBGKFJSA-N	302.805	3.942	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	55040379	YYGXZYPFQRVZNA-XFFZJAGNSA-N	309.756	3.950	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(C)nc2sc(C)cn12	101800058	NIGNBJSAHSDWHW-QPEQYQDCSA-N	301.415	3.925	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2csc3c2CCCC3)c1	156279544	IYAMDAMGEFGQFN-UHFFFAOYSA-N	320.389	3.532	50	20	DHGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1ccccn1	181189812	GQWVISJHRADICH-AWEZNQCLSA-N	312.417	3.603	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1ccccc1	193983851	TUDDCGYKAOFGFX-XEYRCQSKSA-N	318.376	3.663	50	20	DHGD	
Cc1ccc2cc(/C=C(/C#N)C(=O)NC(C)C)c(Cl)nc2c1	211616861	ZEZKZUDCVFGROU-ZSOIEALJSA-N	313.788	3.628	50	20	DHGD	
C[C@@]1(c2ccccc2)CN(/C(=C\C#N)c2ccc(F)cc2)CCO1	255381657	JSCUFZRUJFVNDR-FJZBCQJGSA-N	322.383	3.938	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])s2)c1	490810839	BSDSFPPWYKDBDV-FLIBITNWSA-N	313.338	3.510	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1nc2c(C)ccc(Cl)c2s1	490939485	GRZXRFAAZCBJEF-CLFYSBASSA-N	321.789	3.641	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C)c(F)c2)cc1	734305389	SJYMURCBNGGEEX-RQZCQDPDSA-N	308.356	3.666	50	20	DHGD	
CC[C@H]1CCC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	741091257	FEZQTJGRAMKUPD-VHSXEESVSA-N	315.339	3.699	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=O)c1cccc2ccccc12)C(C)C	741576109	LMCRVYMTLGCWAA-AWEZNQCLSA-N	312.413	3.673	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1scnc1Cl	747589763	NPDFLZZZQMOYRY-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1cccc(Br)c1	748020961	VGFMQTXYYZNTOF-UHFFFAOYSA-N	313.239	3.965	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1F	748740872	PUDUTINSMKHFRN-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(Cl)nc1)CCc1ccccc1	749158907	YCXNHYVDJJCNDC-CYBMUJFWSA-N	315.804	3.720	50	20	DHGD	
O=C(NN=Cc1ccc(Sc2ccccc2)cc1)c1ccc[nH]1	753923388	GVZVRTCDHSTCBA-UHFFFAOYSA-N	321.405	3.930	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1c(F)cccc1F	754084514	KMWRABDJDUEXIR-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc3ccccc23)cnc1Cl	760260852	VXDUEHYTVVAPCA-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)C(C)(C)C	761581462	RIPYKYMDJRKFHL-VIFPVBQESA-N	304.312	3.711	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cc(C)ccc2F)c(Cl)c1	762554861	INSKROWDUYQWSA-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768332258	QWZDQHMXHDDQPW-LBPRGKRZSA-N	323.393	3.653	50	20	DHGD	
C=CC[C@@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	779381524	UJCSBHRPNSJMAV-CQSZACIVSA-N	301.777	3.538	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@@H](Br)C(C)(C)C	781073297	FZUPUTNEKIKIKW-GRYCIOLGSA-N	304.272	3.833	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1[N+](=O)[O-]	785350304	HSDUVAXXXPUTEJ-JMRXEAOASA-N	322.320	3.806	50	20	DHGD	
CSSCCNC(=O)NCc1c(C)oc2ccccc12	790815750	MWFGQCICTHYALE-UHFFFAOYSA-N	310.444	3.552	50	20	DHGD	
C=C(CBr)CN[C@@H]1C[C@H](OCC)C1(CC)CC	791493498	MPESABZUZIRUMF-OLZOCXBDSA-N	304.272	3.511	50	20	DHGD	
CCCN(N=Cc1c[nH]nc1C(C)(C)C)C(=O)OC(C)(C)C	794997536	WTMJFHKLLUMAGM-UHFFFAOYSA-N	308.426	3.688	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2ccccc2nc1O	799755770	JLIHEWXNPDQPEV-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
CSSCCNc1c(C#N)cnc2c(F)cc(F)cc12	804699943	GUPCEUZRXXNSKV-UHFFFAOYSA-N	311.382	3.808	50	20	DHGD	
O=C1CC[C@H](C(=O)NNc2ccc(Cl)cc2)c2ccccc21	807120188	CGXMHDPGBZMCMC-HNNXBMFYSA-N	314.772	3.543	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ncccc1Cl	810406092	VXYZPZNCICIVJZ-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
C=Cc1ccc(C(=O)NNc2ccc(C(=O)OCC)c(C)c2)cc1	812723251	AULRUDDVQYGRES-UHFFFAOYSA-N	324.380	3.572	50	20	DHGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1ccccc1C	814216280	FTJTXRMWYABERD-WZHGQUPOSA-N	322.408	3.961	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1	817909266	ZLDPPGRIFLRRNZ-UHFFFAOYSA-N	323.396	3.940	50	20	DHGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1cccc(Br)c1	819408770	DFVCSFNVZSQYFJ-GWCFXTLKSA-N	311.223	3.719	50	20	DHGD	
CCCCCCCCCN(C)C(=O)/C(C#N)=C\c1cnn(C)c1	822697006	DOGZZSUKSZLTFL-ATVHPVEESA-N	316.449	3.536	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@]2(C)CC2(Cl)Cl)c1	824227127	PSIORTUYQZDSDO-CYBMUJFWSA-N	301.217	3.721	50	20	DHGD	
CCC[C@@H](C(=O)N1CC=C(C#N)CC1)c1ccc(Cl)cc1	831487771	FSAOMLGQFIAHDO-MRXNPFEDSA-N	302.805	3.906	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1scnc1C(C)C	836743882	XXNBBFNSRORTPI-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCC1CCC(F)(F)CC1	837562093	MJXHXGRUOGUWNP-ZROIWOOFSA-N	321.323	3.668	50	20	DHGD	
Cc1nn(C(C)C)cc1C(=O)NNc1ccc(C(C)C)cc1	848210534	UOSROUKKWYNLMW-UHFFFAOYSA-N	300.406	3.653	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F	853261798	VAZOPSKXRZKRDL-WDEREUQCSA-N	316.298	3.910	50	20	DHGD	
C[C@@H](C(=O)NNc1nc2ccc(Cl)cc2s1)C1CCC1	856235533	AMDZLYXTICWCLU-MRVPVSSYSA-N	309.822	3.829	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)s1)C1CC1	873879156	ILPYOJJBILJWEB-UHFFFAOYSA-N	304.802	3.929	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1cccc(CC(F)(F)F)c1	878831323	DHOAIDDGYPAYTF-UHFFFAOYSA-N	315.122	3.717	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC3(CCCC3)C2)cc1OC	901155126	SOKXXQXFRGRWEH-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccsc2)c(C)n1-c1ccccc1	915906559	VDCFUZUHWZESCF-UHFFFAOYSA-N	323.421	3.920	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cc(OC)cc(OC)c1	915946866	WVAVBLHJOZJSNT-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1ccc(Cl)nc1	915973205	HJMGESKXIQHSJT-NEPJUHHUSA-N	305.809	3.811	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)[C@H](C)CC)c(OCCC)c1	915975430	UPWULFPHZCBKIX-CQSZACIVSA-N	320.433	3.760	50	20	DHGD	
Cc1nc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cs1	916323451	ITVJOHQYDBFCCZ-UHFFFAOYSA-N	301.415	3.513	50	20	DHGD	
O=C(NN=C1CCc2c(F)cccc21)c1cccc(Cl)c1	921255604	WPBMOZNVMCFZGS-UHFFFAOYSA-N	302.736	3.559	50	20	DHGD	
Cc1ncc(C(=O)NNc2ccc(Cl)c(C)c2)c(C(C)C)n1	928340708	AWCBUCWPBWNZSP-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CCC(=O)Nc1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1346190458	QCEBHVLESQXDLY-UHFFFAOYSA-N	308.809	3.771	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cccc(F)c1C(=O)O	1609738143	TWMFBVJTSNIAPE-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
C[C@@H](Cl)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)c(F)c1	1887504166	AXQRHMAKAPTSLT-GHMZBOCLSA-N	322.767	3.818	50	20	DHGD	
CCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	41698545	MMUNRWQZMMISKK-FOWTUZBSSA-N	306.365	3.890	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	58442151	GFZXAKLSRCTCSK-FLIBITNWSA-N	313.300	3.935	50	20	DHGD	
O=C(NNc1ccccc1)Nc1cccc(CC(F)(F)F)c1	120752767	VXMFDEONOKCLAO-UHFFFAOYSA-N	309.291	3.940	50	20	DHGD	
O=C(C[C@@H]1C=CCC1)NNc1c(Cl)cc(F)cc1Cl	126315704	UTNGBJHZNITEBY-MRVPVSSYSA-N	303.164	3.932	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1cncs1	129908553	VYDNGOJIVUWBDD-BJMVGYQFSA-N	303.774	3.651	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccc(F)cc1F	152665373	GAAILJMUZSJKAP-UHFFFAOYSA-N	319.355	3.934	50	20	DHGD	
CCOc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	153808611	KXDCKQIQHMEJIA-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1C[C@H]1c1cccc(Cl)c1	154587253	WSEARYHMJPIKST-LSDHHAIUSA-N	304.752	3.726	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(-n2cccn2)c1	155195001	XXMGBXOLPJLTEP-XNTDXEJSSA-N	303.321	3.564	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1	158816961	LFEIOMIMNJWACW-GJZGRUSLSA-N	300.427	3.920	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1	158823269	NSAXKMLOQAYCKX-VZWFDDOASA-N	320.392	3.531	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)c(F)c1	158962340	QZTJNGJZJKBIIM-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(F)cc2cccnc12	159453574	OEHUPBMZUFSJIN-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2ccccc2)[nH]1	184340718	ADDFPEZVFUDIOZ-UHFFFAOYSA-N	309.344	3.886	50	20	DHGD	
CCCOc1cc(C)ccc1NS(=O)(=O)CCCCCl	184765513	GYUVZRHJYOWBDS-UHFFFAOYSA-N	319.854	3.545	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	191769393	YHADRWIKYSEKSG-UXBLZVDNSA-N	323.723	3.658	50	20	DHGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)Nc1ccccc1	490637004	FACRVMJFFVFCCY-PTNGSMBKSA-N	315.332	3.887	50	20	DHGD	
CCCCOc1ccc(NC(=O)/C(C#N)=C/OCC)c(C)c1	491005855	CBOAKQRNFBAFGP-WYMLVPIESA-N	302.374	3.556	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2ccc3ccccc3n2)c1C	731152796	SYBCFQKNMXPJJZ-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1c[nH]c2ccc(F)cc12)c1ccccc1	731930695	IGFPSAWAXWPMLQ-INIZCTEOSA-N	323.371	3.951	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)[C@@H](C)c1ccccc1	746366564	PGYXSZSEMGMHPX-OAHLLOKOSA-N	310.397	3.670	50	20	DHGD	
CCCCO[C@@H]1CC(=NNC(=O)c2ccccc2F)C1(C)C	747626391	XTICOUZJTCDBLP-OAHLLOKOSA-N	306.381	3.527	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2ccccc2F)cc1	748055857	STOCLRNJEZGDOW-UHFFFAOYSA-N	300.377	3.854	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748721648	FVBCWQUNGUFXGJ-UWVGGRQHSA-N	311.769	3.518	50	20	DHGD	
CS[C@H](C)CC(=O)NN(c1ccccc1)c1ccccc1	756909120	OLQSTRIHHODQCW-CQSZACIVSA-N	300.427	3.998	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(C#N)s1	762448616	JTDAZOJKYXJTQN-UHFFFAOYSA-N	319.389	3.927	50	20	DHGD	
CC(C)O[C@H]1CC(=NNC(=O)c2cc3c(s2)CCC3)C1(C)C	764896455	ORXMOXNPGWFANG-HNNXBMFYSA-N	320.458	3.546	50	20	DHGD	
Cc1nc2ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc2[nH]1	767008453	TVRIGYUUQJYCFH-GFCCVEGCSA-N	324.222	3.619	50	20	DHGD	
COc1ccc2sc(C(=O)NCCCSC#N)c(C)c2c1	773594738	ZQAJNGZZXYUVCY-UHFFFAOYSA-N	320.439	3.553	50	20	DHGD	
Cc1ccc(F)c(NC(=O)NNc2ccc3ccccc3n2)c1	775432316	FWYNHWTUTQEAIL-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1CC[C@@H](C)C1	776343221	SNXFEHJDHKQDNZ-CHWSQXEVSA-N	319.474	3.564	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	779381068	MBWKAHRSNNWCIR-HNNXBMFYSA-N	315.804	3.928	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(Cl)cc(C(F)(F)F)c1	780212418	OOEPPFUZRQPJEX-MRVPVSSYSA-N	306.715	3.855	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	788150658	WJJRQAMNEGTZEZ-LLVKDONJSA-N	311.357	3.784	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCC23CCCC3)c1	788700220	QPBAXRRUGRLQCY-UHFFFAOYSA-N	300.402	3.509	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1	788928272	DEKKCAGTNSXWCO-LLVKDONJSA-N	321.302	3.620	50	20	DHGD	
CCc1c(C(=O)NNc2cccc(C)c2)cnn1C1CCCC1	789902184	JVSZYRIAXWMIBE-UHFFFAOYSA-N	312.417	3.626	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C(C)C)oc1C	795950277	JSDDVHOACMHJAY-UHFFFAOYSA-N	319.313	3.847	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCNC1(CCO)CCCCC1	808738367	MUSWJYDKIHQQSS-UHFFFAOYSA-N	301.547	3.683	50	20	DHGD	
Cc1cccc2cc(C(=O)NNC(=O)CC3CCCC3)sc12	809646860	JHJZVBZWJOHUJB-UHFFFAOYSA-N	316.426	3.551	50	20	DHGD	
O=C(CC1CC1)NN=C(CC(F)(F)F)c1ccc(Cl)cc1	814986938	IPBJPXGXXICXBQ-UHFFFAOYSA-N	318.726	3.913	50	20	DHGD	
COCC1CCC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	834925762	QXUXXKNKODUZDY-UHFFFAOYSA-N	318.461	3.512	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@H]1CCCC[C@H]1C	834932948	IFOUOPJBIMZVAS-MFKMUULPSA-N	308.809	3.978	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)CC1	836787681	KOQFCISUFVGCBE-SNVBAGLBSA-N	323.318	3.767	50	20	DHGD	
Cc1noc(C)c1C(C)(C)C(=O)NNc1ccc(C(C)C)cc1	837056721	CMGGPZBXVZIBQT-UHFFFAOYSA-N	315.417	3.836	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C(C)C)cc2)C1	837059734	YFAJYUQJGFMVKG-RHSMWYFYSA-N	304.434	3.848	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CCCCC1(F)F	838634989	BJKVQGGKMNWXAX-NSHDSACASA-N	315.339	3.586	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCSc1nnc2ccccn12	839992407	IUHCRIVCZRVXTF-UHFFFAOYSA-N	309.511	3.843	50	20	DHGD	
CCC(CC)(C(=O)NNc1cccnc1Cl)c1ccccc1	840476723	IURFWMKKMAKQKZ-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)CC(C)(C)C)cc1F	844275105	QHLLTUFSWJYOKY-SDQBBNPISA-N	305.349	3.755	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(F)ccnc1F	848108375	JISUNIUEROARGD-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)cc2F)C1	885106688	FSVXQTCYJNWXJX-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
CCN(CC(N)=O)Cc1cccc(S(F)(F)(F)(F)F)c1	893965985	ZEKDQIQOOKKPFR-UHFFFAOYSA-N	318.311	3.651	50	20	DHGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)c1nc2ccccc2[nH]1	899336045	OWULKJFGMWDDMR-OVCLIPMQSA-N	303.369	3.624	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C	914528378	XNLLDJWWRXJZRX-LDADJPATSA-N	321.424	3.788	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)OC(C)(C)C)cc1OCC	916266772	FRWQNYJCVOTTKW-UHFFFAOYSA-N	322.405	3.733	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C[C@@H]1CC=CCC1	916273827	UNJZNWYVBVIYJF-GFCCVEGCSA-N	308.834	3.890	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(O)c1	916323455	JAENVEUPXAOVTN-UHFFFAOYSA-N	310.397	3.844	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1cnn(C(C)C)c1	923123344	KWCVIOGTLLHWLP-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(Cl)cc2)nn1	1328715590	VMWCCPQRUURFNB-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
CC(F)(F)C1(C(=O)NNc2ccc(Cl)cc2Cl)CC1	1331138618	FMRUYVLGLMBQNB-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)cc1O	1333197498	CKWPQPURZWJMKS-HNNXBMFYSA-N	308.381	3.754	50	20	DHGD	
CCCn1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c(C)n1	1336370348	QSLPAQMSGANJQI-MHWRWJLKSA-N	322.412	3.764	50	20	DHGD	
O=C(Nc1cccc(NC(=O)C2CC2)c1)C1CCC(Cl)CC1	1518850455	FLPZQERQAOBMTA-UHFFFAOYSA-N	320.820	3.771	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C/C(=O)O)o1)c1nc2ccccc2o1	1777566120	OVSLKRSPAACNFJ-OHFYBLQUSA-N	306.277	3.583	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2ccccc2F)o1	47220590	UYQSDZZKRWGBFM-UHFFFAOYSA-N	314.291	3.982	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnn(-c2ccc(F)cc2)c1	76762144	KZXXYHDZLRYDJD-DHDCSXOGSA-N	311.360	3.924	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cccc(F)c1F)C1CCCCC1	112224578	XIJKRBWYEYAWLH-RAXLEYEMSA-N	304.340	3.663	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3c(F)cccc3F)[nH]c2c1	118512801	AYXLYXVXLCPMDN-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1C[C@@]12CCCc1ccccc12	154415171	DQIXDBWQGNHMIB-PKOBYXMFSA-N	310.372	3.563	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cncc(C)c2)c1C	176162329	NLKKLYBUMMCSEI-RQZCQDPDSA-N	322.412	3.764	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)COc2ccccc2F)cc1	181130500	WCNSUQKWVSVXSY-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1ccccc1OC(F)(F)F	190160435	FLRNYOVNILVSPI-JTQLQIEISA-N	304.312	3.855	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(OC)c1OC(C)C	212025243	XHEKEKKVVDZHDA-PTNGSMBKSA-N	317.385	3.733	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1	255512437	HUDCXYGNHMWRLE-GTVARFKMSA-N	318.376	3.567	50	20	DHGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)[C@H]1CCCOC1	280925132	HQYUPYINMHWFII-BOFQVRIASA-N	318.376	3.651	50	20	DHGD	
CCc1nc2cc(NC(=O)NCCSSC)ccc2o1	284560232	JINQKPYCGCRZCZ-UHFFFAOYSA-N	311.432	3.523	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(OCC)cc2)s1	294335733	MJFQFERCBJDVQH-UHFFFAOYSA-N	319.430	3.560	50	20	DHGD	
CC(C)(C)CCCNS(=O)(=O)c1ccc(CCCl)cc1	313264191	NIUXLBMREDGMDW-UHFFFAOYSA-N	317.882	3.573	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc(OC)c1	588597513	MRVHYPFXKYASMZ-NSIKDUERSA-N	311.312	3.633	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1cccc(F)c1	728433331	CGLBBWBLQYZPGR-UHFFFAOYSA-N	322.286	3.581	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1cccc(C#N)c1	728781725	VVNCBPYVWWGQHE-UHFFFAOYSA-N	319.408	3.933	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(C)cc1O	731151160	SGCRGLNLWMLGQH-UHFFFAOYSA-N	310.397	3.519	50	20	DHGD	
O=C(/C=C\C1CCOCC1)NN(c1ccccc1)c1ccccc1	732626775	OJUJRNZWMHXNPE-QXMHVHEDSA-N	322.408	3.839	50	20	DHGD	
O=C(NCc1ccc(Cl)cc1)NN=Cc1ccccc1Cl	732927467	NZBWWOFBCWVJDI-UHFFFAOYSA-N	322.195	3.827	50	20	DHGD	
O=C(Cc1cccc(Cl)c1)NNc1nccc2sccc12	734249641	FBLPZPHXDISZFB-UHFFFAOYSA-N	317.801	3.636	50	20	DHGD	
C[C@@H](CC(=O)NNc1ncccc1C(F)(F)F)c1ccccc1	740097786	QRUXZARIFVSSOM-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)nc2)oc2ccccc12	743817986	JRRSWAYHZXMKCJ-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cc(F)c(F)c(F)c2)c(C)c1	746704829	LAQOAAKJTSTDCY-UHFFFAOYSA-N	322.330	3.797	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(-c2ccc[nH]2)cc1	752784413	QFFFRKAYVGBOFG-UHFFFAOYSA-N	310.332	3.969	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2cccc(C)c2Cl)c1	754274331	NLNUVGBHCBOKBK-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cn1	764888883	ZUMZXIHFZIFFEY-AWNIVKPZSA-N	300.720	3.972	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	767717841	OSHIPUOIPYKSBB-GHXNOFRVSA-N	310.319	3.707	50	20	DHGD	
CCNC(=O)N(C)N=Cc1ccc(-c2ccc(Cl)cc2)o1	769594251	LFYWVERKCWXLKH-UHFFFAOYSA-N	305.765	3.595	50	20	DHGD	
Cc1cc(NC(=O)NNc2ncccn2)ccc1-c1ccccc1	775777579	PPICUPQBINEGBG-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1ccccc1C(=O)OC	780730205	CFSBWWKHWBFWBN-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccccc1C(=O)OC	780739272	YRKSNRCLORTXDQ-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
CCn1nccc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788329362	UOYSSWRHZACQJW-UKTHLTGXSA-N	307.378	3.908	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc2c(c1)CCCC2	792889675	IXQWZVNRUNGBDY-ATVHPVEESA-N	303.427	3.645	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	802015695	XGLGDAJQJHTGFN-NSHDSACASA-N	323.824	3.709	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ncccc2F)cc1	804218014	MKZFFPBLDPFIES-CYBMUJFWSA-N	315.392	3.981	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1C)c1nccc2ccccc12	811645129	ZNZASIPZGHNKKF-UHFFFAOYSA-N	317.392	3.626	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(C(C)C)c1C	812766574	RXQOYJYKIUMGCS-UHFFFAOYSA-N	314.433	3.961	50	20	DHGD	
CC[C@H](C)CONC(=O)NNc1c(Cl)cc(F)cc1Cl	813836338	UKWZMGIUIVZPBP-ZETCQYMHSA-N	324.183	3.736	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)COc2ccc(Cl)cc2Cl)C1	814688026	GDLYIYZKXAUNFO-SECBINFHSA-N	315.200	3.664	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCCC12CCCC2	814747040	QPPZRIHTEKIFDL-CYBMUJFWSA-N	318.392	3.810	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CC(c2cc(F)cc(F)c2)C1	814764917	IMVNZMLAWOONIU-UHFFFAOYSA-N	314.335	3.937	50	20	DHGD	
CCc1cc(NC(=O)CCCC[C@@H]2CCSS2)nn1C	817687854	NVYIFHDEDALAQE-GFCCVEGCSA-N	313.492	3.635	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCc2cccnc21	820920961	GYCXJUOJTOVOCW-MRXNPFEDSA-N	309.413	3.687	50	20	DHGD	
CCOC1(C(=O)NNc2cccc(Cl)c2Cl)CCCC1	838351117	VLPXCOVJRHTZPZ-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
Cc1csc2ncn(CCO[Si](C)(C)C(C)(C)C)c(=O)c12	840207001	AVKWHLSQFKJYLT-UHFFFAOYSA-N	324.522	3.788	50	20	DHGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)OCC(F)(F)F	853429294	HRUICKISYQNOCK-UHFFFAOYSA-N	320.698	3.862	50	20	DHGD	
CC#CCCCC(=O)NNc1nc2ccc(Cl)cc2s1	856234566	CSTSAHHCYBSYRE-UHFFFAOYSA-N	307.806	3.586	50	20	DHGD	
C[C@H](NC[C@H](CBr)C1CC1)c1cccc(C#N)c1	859231625	LMYXHXQPSRMMIR-NHYWBVRUSA-N	307.235	3.630	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CC(F)(F)F)C1	912581028	XMOCUGWCNLXOBE-JTQLQIEISA-N	311.420	3.562	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C(CC)C[C@H](C)CC	915943528	DPXABWFSJPZZAX-CQSZACIVSA-N	320.433	3.783	50	20	DHGD	
O=C(NCCc1ccccc1)NNc1ccccc1C(F)(F)F	918146000	KUHIOQWIWWRKJI-UHFFFAOYSA-N	323.318	3.574	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1F)c1ccccc1Cl	1116265138	YNADWYSJLNNZIA-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)C2CCC(Cl)CC2)cc1[N+](=O)[O-]	1123657958	ZOQIOKMLEYUHGU-DCBWTQNWSA-N	324.808	3.878	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)c1ccccc1Cl	1325846755	SHYBLGVTKLCXNA-CYBMUJFWSA-N	313.788	3.789	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	5953546	OPXOPZBWSMZUQH-SDNWHVSQSA-N	310.328	3.770	50	20	DHGD	
N#C/C(=C/c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccn1	42653347	TWQHBKURDBPJQO-XFFZJAGNSA-N	317.251	3.655	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(C)nn(C)c1Cl	44028323	GOKHWBVOSVKQFB-UXBLZVDNSA-N	305.790	3.542	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1csc2c1CCCC2	161065868	PGBVZNJZGARFTR-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccccc1OCCOC	177615819	BUCVMIWVJXDNFG-AOHITCTBSA-N	301.386	3.624	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C(C)(C)C)n1	180307982	BYIKPOHCGBGWIT-UKTHLTGXSA-N	310.357	3.690	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cccc(C)c2)cc1	188607514	YDPLSTUKYBULIE-PWDRBQJJSA-N	320.392	3.788	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccccc2)C1	255778918	VLRYGOSGVYHFHD-OXNWSPOFSA-N	319.364	3.949	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc(C2CC2)n[nH]1	264027597	LPIBZYMJFJMTQT-LLVKDONJSA-N	311.476	3.940	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	490549109	AGLASIYVRDLVMV-KPKJPENVSA-N	314.776	3.534	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1c(Cl)cccc1C(F)(F)F	730967103	QGFLQDFZDXFJOF-FPLPWBNLSA-N	318.682	3.741	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(OC)cc2)s1	731156609	IIZUKTWDFPZATR-BENRWUELSA-N	312.394	3.865	50	20	DHGD	
Cc1cc(NNC(=O)CC2CCCC2)ccc1Br	734251496	RNTPDQSPHYGHRE-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(Cl)nc1)c1ccc(F)cc1	743818363	VEDNEBUKEZUINP-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1ccc(C)s1	747356761	WPMDSUOJJZTFBD-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
COc1ccc(Br)c(/C=C(\C#N)C(=O)C(C)(C)C)c1	747691115	VEQRFAIUNHQXCS-YRNVUSSQSA-N	322.202	3.980	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@@H]2CCc3ccccc3C2)c1	748354455	WSDKLDWIZHWXFN-MRXNPFEDSA-N	308.425	3.942	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2cc(F)c(F)c(F)c2)c1	748812851	RODSRYXZOHFCJA-UHFFFAOYSA-N	322.330	3.797	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2ccccc2c1O	749280935	IGYBSSUBYDLSAO-UHFFFAOYSA-N	310.328	3.750	50	20	DHGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccoc2)cc1	752890643	QWUKDHZELAGYPI-OVCLIPMQSA-N	303.321	3.768	50	20	DHGD	
CC(C)(C)C=NNC(=O)Cc1nc(-c2ccccc2)cs1	755626246	ZDBCQOYWLXXLMU-UHFFFAOYSA-N	301.415	3.501	50	20	DHGD	
Cn1cc(C=NNC(=O)C(C)(C)c2ccccc2)c2ccccc21	755703616	MYASICZPEUOVQQ-UHFFFAOYSA-N	319.408	3.606	50	20	DHGD	
CCCC1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CCC1	759225001	VVSUIZSHWSQSMX-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)c1ccc2c(c1)OCCO2	767486248	LNENFLNGADGDCY-UHFFFAOYSA-N	318.417	3.924	50	20	DHGD	
CC1(C)CCCC(=NNC(=O)c2cnn(-c3ccccc3)c2)C1	767783082	TWJXFVNJEVGJOI-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C(C)C)cc1O	771713647	LGJNELZJNYVQNX-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)cnc1Cl	772172494	QZGXIDOPEALWRL-MLPAPPSSSA-N	300.720	3.972	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2cccc3c2OC(C)(C)C3)ncn1	773170958	GHKXFHZEKWSNLQ-AUWJEWJLSA-N	323.421	3.976	50	20	DHGD	
Cc1ccc(CCCC=NNC(=O)c2ccc(C#N)cc2)cc1C	783835417	LUKBITJJPCZSND-UHFFFAOYSA-N	319.408	3.914	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(Br)c(F)c1	785636068	VTMSVBPKGIYBMJ-CYBMUJFWSA-N	315.186	3.634	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	788150659	WJJRQAMNEGTZEZ-NSHDSACASA-N	311.357	3.784	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)c1ccc2cc[nH]c2c1	792573800	PNBWDUHWDYQNCQ-CYBMUJFWSA-N	323.234	3.940	50	20	DHGD	
CCCC=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	793172687	DYGSRUUIYCDJNY-UHFFFAOYSA-N	318.380	3.813	50	20	DHGD	
CCCN(N=Cc1ccc(OCC)cc1O)C(=O)OC(C)(C)C	794997638	ZJQFDODAUDTRPJ-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
CSc1ccccc1[C@@H](C)NC(=O)NN(C)c1ccccc1	800013342	ZIQRSXBWAIWALA-CYBMUJFWSA-N	315.442	3.820	50	20	DHGD	
CCC(C)(C)C1CCC(CC(=O)NNc2cnccn2)CC1	801199103	IHEFDBSLKVNSCB-UHFFFAOYSA-N	304.438	3.552	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cn1	812245792	XXCFDMAEVIJNSA-POHAHGRESA-N	303.680	3.846	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1nccs1	812768135	HCQYUXZJHUGAHL-UHFFFAOYSA-N	303.431	3.651	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@H]1CCO[C@@H](C)C1	813122160	GMPQRTKTMCAMQP-GJZGRUSLSA-N	319.449	3.560	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCCO1	814996745	WUWJVECQYFVJMW-GFCCVEGCSA-N	316.188	3.670	50	20	DHGD	
Cc1cncc(CCC(=O)NNc2cc(Cl)ccc2Cl)c1	815853569	QQWCRJMELZKLLF-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2c(Cl)cncc2Cl)c1	815856508	OSHQQJNOYSRNJA-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822556957	SVWBFPJNGMQREI-YMTOWFKASA-N	311.769	3.518	50	20	DHGD	
C[C@]1(C(=O)NNc2ncc(Cl)cc2Cl)CC=CCC1	829748117	FIISRSXLZCUZNR-ZDUSSCGKSA-N	300.189	3.578	50	20	DHGD	
CC(C)(CC#N)CNC(=O)CCCC[C@@H]1CCSS1	837885309	MYIRPTUMKDIZQV-GFCCVEGCSA-N	300.493	3.757	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCC[C@@H]1CCOC1	838714551	KDRWVBKPHSLRLB-OAHLLOKOSA-N	319.449	3.561	50	20	DHGD	
O=C(CSC1CC1)Oc1ccc([N+](=O)[O-])c2ccccc12	839301951	FDQSRDUUWNXRLG-UHFFFAOYSA-N	303.339	3.549	50	20	DHGD	
COc1ccc([C@H](C)NC[C@@]2(C)C[C@H]2Br)cc1F	851894252	XDGCMRQUNYHHRD-CUOATXAZSA-N	316.214	3.658	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccnc(Cl)c3)csc2C1	855469716	OZKIDOKOMCTTIT-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
CC1(C)C[C@]1(C(=O)NNc1ccc(Cl)cn1)c1ccccc1	856094313	FEOJZVLHMVBIPV-QGZVFWFLSA-N	315.804	3.546	50	20	DHGD	
Cc1ccc(CCC(=O)NC[C@]2(C)C[C@@H]2Br)c(C)c1	857402841	LNNHWCROEUSYMT-HOCLYGCPSA-N	324.262	3.526	50	20	DHGD	
COc1ccc([C@H](C)NC[C@@H](CBr)C2CC2)cc1	859225782	FBZKMUPSWLUBHB-SMDDNHRTSA-N	312.251	3.767	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC[C@@H](c2ccccc2)C1	861734353	DGOZZLNIIJWQNO-CHWSQXEVSA-N	300.229	3.832	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCCc2sccc21	885113140	PTNNYOSEAPSNQR-LLVKDONJSA-N	308.353	3.590	50	20	DHGD	
CC[C@@H]1c2ccccc2CN1C(=O)[C@@]1(C)C[C@@H]1Br	890612736	AHRNXRVMBMLFIC-IPYPFGDCSA-N	308.219	3.653	50	20	DHGD	
CCCCNC(=O)NN=C/C(Br)=C/c1ccccc1	920752521	KGFNPIGFEFRLHL-XCXUWOPLSA-N	324.222	3.508	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc(C)c(O)c1	1262037217	PADAIXPGVBQCCU-UHFFFAOYSA-N	302.296	3.539	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3cccc(F)c3)ccc2c1	1319592669	ZHRONKAQXGDLSO-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)c1ccc(F)cc1F	1321295294	XERXDOUXLVVIKC-RKDXNWHRSA-N	321.161	3.643	50	20	DHGD	
CCOc1ccc(NNC(=O)CSCc2cccs2)cc1	1344001801	RLUMIGMQLFEIAI-UHFFFAOYSA-N	322.455	3.523	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNc1cccc(C(=O)O)c1F	1595697574	MDJVEHABOQSNDE-LBPRGKRZSA-N	324.396	3.964	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(c2ccccc2)CCC1	112441510	NHLFTUJMEDMOOY-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccc(Cl)o1	128638636	CXIKPUMDLDTHCN-UHFFFAOYSA-N	322.645	3.848	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccccc2F)c1C(C)C	151818467	KDPNRRZIGQBDBV-UHFFFAOYSA-N	317.364	3.545	50	20	DHGD	
CCCC(CCC)C(=O)NNc1nc(C(F)(F)F)cs1	157259697	DRYUMUCJDVIZAJ-UHFFFAOYSA-N	309.357	3.821	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)ccc2N2CCCC2)c1	158874628	BPBOKAXYRVZYFB-UHFFFAOYSA-N	323.440	3.969	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(C)C1c2ccccc2-c2ccccc21	159795938	YNKGNFHDSDIJBU-YPKPFQOOSA-N	318.376	3.659	50	20	DHGD	
CC(C)(CC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175483498	LIDWGMAARSHMHE-UHFFFAOYSA-N	322.330	3.915	50	20	DHGD	
O=C(CCc1ccc(Br)cc1)NNc1ccccc1	178099538	QZFGQDDMWMPBAV-UHFFFAOYSA-N	319.202	3.525	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2cccc3c2CCCC3)CCO1	184261673	JOEZHUFPAHGCPH-JKSUJKDBSA-N	316.445	3.604	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cn1	190247234	PZEXKSHBDCGGAI-MHWRWJLKSA-N	323.371	3.855	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCC#N)c(C)n1C1CCCCC1	213041444	CPFWUNLTKWONBB-WJDWOHSUSA-N	311.385	3.584	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cccc(F)c1	293516427	YNQVSROQPYRFRV-UHFFFAOYSA-N	301.365	3.663	50	20	DHGD	
CCNc1cc(C)ccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491084801	PEEVHZMVQFWRJA-RVDMUPIBSA-N	321.380	3.678	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnc(C(C)(C)C)nc2)cc1	491127724	BQYJOONKOVHVQD-OQLLNIDSSA-N	320.396	3.628	50	20	DHGD	
ClCCn1cc(/C=C\c2ncc(Br)s2)cn1	588594829	BGFRCIYHQXIFIB-UPHRSURJSA-N	318.627	3.511	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	726593712	ADGDUOYDSJMVCC-MBFWDRTGSA-N	323.352	3.908	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1ccc(Cl)s1	729934892	CYUWRVVEBOCJDR-UHFFFAOYSA-N	322.817	3.580	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@H](C)CC(C)(C)C)c1ccccc1	731998942	IGIGPQNKNJYQQY-HOCLYGCPSA-N	318.461	3.790	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	741847887	JHPXGYHZVCQFSR-RAXLEYEMSA-N	300.333	3.785	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	743817003	YHRWIRKSZTYPJF-CQSZACIVSA-N	303.793	3.762	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1Cl)c1cccc(C#N)c1	745923534	RJGVZCSQOZIAIS-NSHDSACASA-N	314.776	3.599	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cccc2cccnc12	747362040	KELJVVDYDVTDPN-AESZEHBQSA-N	319.408	3.777	50	20	DHGD	
CCOC(=O)NN=C(C)c1ccc(Cl)c(C(F)(F)F)c1	754699233	AHANXLXDCOLXBR-UHFFFAOYSA-N	308.687	3.829	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)NC1CCCCC1	755404131	KCAOCDWAYWALJW-WQLSENKSSA-N	306.768	3.835	50	20	DHGD	
Cc1c(NNC(=O)[C@@H](C)CCC(C)(C)C)cccc1[N+](=O)[O-]	755574020	RYSCNZLFOGEZPO-NSHDSACASA-N	307.394	3.809	50	20	DHGD	
C=C[C@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1	759656846	ASLJJIDXMGCSAF-GFCCVEGCSA-N	302.324	3.768	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)C2CCCCC2)c(-c2ccncc2)n1	767713574	KYTIHODXCJFNQW-LFIBNONCSA-N	320.396	3.538	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cscn1	767900812	YFSDIEHFWBBZEA-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ncc(Cl)s2)cc1	771905430	UMQJNWLALWSALU-WUXMJOGZSA-N	318.785	3.755	50	20	DHGD	
Cc1cccc(OCC(=O)NNc2ccc(C(C)(C)C)cc2)c1	780806287	HKJLBBWJXXVLJQ-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
Cc1ccc(-c2nc(COC(=O)/C(C#N)=C/C3CC3)co2)cc1	786673703	KLJVMGODUKBQKB-OVCLIPMQSA-N	308.337	3.553	50	20	DHGD	
C[C@@H](CC(=O)NN(C)c1ccccc1)c1c[nH]c2ccccc12	787865027	QEOARHZOGCJFAE-AWEZNQCLSA-N	307.397	3.829	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1Cl	789128266	PDPREOMSYBAIQY-ZSOIEALJSA-N	313.788	3.717	50	20	DHGD	
CCc1c(NC(=O)NNc2ccccc2)cnn1C(CC)CC	792497109	QFBDNBDAXYPZBS-UHFFFAOYSA-N	315.421	3.955	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)C1CCOCC1	794952930	JCERSGBNWUCDGD-GHXNOFRVSA-N	310.180	3.896	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2c(F)cccc2Cl)nc1	810685800	YXTOVMTUFKBZHF-UHFFFAOYSA-N	307.756	3.754	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2nccn2c1	812768350	PIYQFFFRGAYSSI-UHFFFAOYSA-N	308.385	3.523	50	20	DHGD	
COC(=O)N(C)N=C(Cc1ccc(F)cc1Cl)c1ccoc1	814926410	QRMSDGDJJNOXRR-UHFFFAOYSA-N	324.739	3.717	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc(Cl)sc1Cl	817007788	PUVLOZQOUKPOKQ-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
Cc1ccc2ncn(CCO[Si](C)(C)C(C)(C)C)c(=O)c2c1	821074245	IUVXDUBCBGKWDE-UHFFFAOYSA-N	318.493	3.727	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cccc(O)c1Cl	834400982	OIMWJEULATVOCN-SYKXKWPBSA-N	318.804	3.647	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](F)Cc2ccccc2)cc1	837053474	SWJBTFRTAOEAFN-KRWDZBQOSA-N	300.377	3.834	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cnc(C(C)(C)C)nc1	840719927	XBCYTPCZEHDQIP-QPEQYQDCSA-N	311.410	3.934	50	20	DHGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cnnn2CC)CC1	841484839	COHVVTOOTCNSJD-LFIBNONCSA-N	314.433	3.771	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2cccc(Cl)c2)C1)[C@H]1CCCCO1	841640592	NYBBORPSOFQIMJ-CZUORRHYSA-N	320.820	3.649	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844547540	GLLZQQVHKPNSEV-ZTFCMROMSA-N	305.349	3.755	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1	846378971	PYWWGFYAHUOKJH-SSDOTTSWSA-N	306.715	3.848	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	848083936	CVOXUFUZHQCKQK-RNFRBKRXSA-N	312.649	3.767	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1cccc(C)c1)CCC2	848371472	WJDRHHUAJIMVNE-QGZVFWFLSA-N	310.397	3.567	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(O[C@@H](C)COC)cc1	853006937	YWIYYVMHSXPJNC-XNHXUMAHSA-N	301.386	3.622	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1cc(F)ccc1C	855366711	FTKCUZOPJYFKQO-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)cc1	857115429	IHSFUYYILJJYIZ-QFBILLFUSA-N	324.424	3.797	50	20	DHGD	
CC[C@](C)(NC[C@@H](CBr)C1CC1)C(F)(F)F	859196721	DYPFLPHXUREBBD-ZJUUUORDSA-N	302.178	3.728	50	20	DHGD	
C[C@@H](NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(F)(F)F	862307666	NLXWXEYBZWTXFB-PFEDMVJOSA-N	314.351	3.569	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(N3CCCCCC3)cc2)c1	896298206	OPKXHGIJXOWJPE-UHFFFAOYSA-N	324.428	3.527	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cc(C)sc1C	916326897	XUHYJZXOMIQEIQ-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1n[nH]c2c1CCCC2	1337165796	VMHOKERNZGMVBX-XHOSPMEYSA-N	314.433	3.697	50	20	DHGD	
O=C(NC1([C@@H]2CCCCO2)CCC1)c1cccc(CCl)c1	1353777253	PVNDCXATGUSQML-HNNXBMFYSA-N	307.821	3.647	50	20	DHGD	
CC1(C)CCC[C@](NC(=O)c2cccc(CCl)c2)(C(=O)O)C1	1604529517	AOJMBYPZWNWCFM-QGZVFWFLSA-N	323.820	3.579	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@H](C)c2ccccc21	114238057	JKUSONJRNJXQKM-NSHDSACASA-N	317.820	3.503	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1SCCc2sccc21	120125528	VZJRODZEKNVVAR-ZDUSSCGKSA-N	324.858	3.875	50	20	DHGD	
O=C(NNc1ccccc1F)N[C@H](C1CCCC1)C(F)(F)F	127703276	AAVWCDFXGCCQAS-GFCCVEGCSA-N	319.302	3.573	50	20	DHGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1cccc(F)c1	154666163	KFYZQBAGZIBGRX-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cccc(C)c1	182507865	APACAGAEGNIAGF-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
CC(C)(C)OC(=O)Nc1cccc(CN2CC=C(C#N)CC2)c1	272587549	FOPGMVWZUTWBCS-UHFFFAOYSA-N	313.401	3.689	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1ccc(Cl)c(F)c1	294865765	GOXXKOWHWNCUEK-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
COc1cccc(C=NN(C)C(=O)OC(C)(C)C)c1OC(C)C	490786290	DKYTXLXFPJHEJW-UHFFFAOYSA-N	322.405	3.683	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)[C@H](C)CC)cc1OCC	726430800	YUMFKLKBOPYISC-VQCBNXJZSA-N	311.381	3.619	50	20	DHGD	
C[C@H]1CC(=NNC(=O)Cc2ccncc2)C[C@H](c2ccccc2)C1	749861178	HWGDHKMUABNCSQ-CRAIPNDOSA-N	321.424	3.700	50	20	DHGD	
C[C@H](CC=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	755462198	PVLOKJYEINMMQK-CYBMUJFWSA-N	311.341	3.504	50	20	DHGD	
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)C(F)(F)F	757425027	IQMDPDBXMVCWGI-QMMMGPOBSA-N	313.231	3.852	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2[C@@H](C)CC[C@H]2C)c1C	757792616	BHBNLCUCINPPDT-YXWGGCJOSA-N	313.445	3.821	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3cc[nH]n3)s2)c1	762137004	GUHWENIMXIEXFN-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
N#Cc1cccc(C(=O)NN=CC2CCC(C(F)(F)F)CC2)c1	767376826	FUTPYDLXPPJFJM-UHFFFAOYSA-N	323.318	3.643	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc2c(c1)CCC2	769925066	GYDXLGCWHSFYQM-UHFFFAOYSA-N	324.409	3.934	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1c[nH]cc1-c1ccccc1	771707660	RLHIUXLUMRYZIR-UHFFFAOYSA-N	309.344	3.886	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Br)c1OC	773914743	HWPGRSRXIUFEJU-UVIKPUKZSA-N	322.202	3.980	50	20	DHGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	775882112	MOJBNANDNJASOH-JSGCOSHPSA-N	300.324	3.831	50	20	DHGD	
CN(C)C(=O)NN=C1CCC[C@H]1c1ccc(Cl)c(Cl)c1	776179911	GPPCJDZJDKGACE-JTQLQIEISA-N	314.216	3.888	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2c(F)cccc2F)cc1	778935458	GCZZIMYZJKVEGM-GFCCVEGCSA-N	304.340	3.595	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2OC(F)(F)F)oc1C	779200630	KUZOGTUZHOJKFT-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc2cnccc2c1)C1CCCCC1	780004133	FXAJKHSQSVCUDV-LDADJPATSA-N	319.408	3.933	50	20	DHGD	
CSCC[C@H](C)NC(=O)NNc1ccc(C(C)(C)C)cc1	780834570	DDIUQSYJMBYPJJ-LBPRGKRZSA-N	309.479	3.752	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)C1(C)C	780997104	HJUXLXHCCGIQKK-JKSUJKDBSA-N	316.445	3.679	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cc(Br)cs1	782098577	UNOIISQSJOFJAW-UHFFFAOYSA-N	323.215	3.665	50	20	DHGD	
Cc1ccsc1/C=C(/C#N)C(=O)NCc1cccc(Cl)c1	786057250	YACGSJSIBRXGTF-JYRVWZFOSA-N	316.813	3.933	50	20	DHGD	
C=CCCN(C)CCP(=O)(c1ccccc1)c1ccccc1	786439163	XZPSWXTWBPCSMB-UHFFFAOYSA-N	313.381	3.508	50	20	DHGD	
O=C(CCCc1ccc(O)c(F)c1)NNc1cccc(Cl)c1	786728130	BOICCHDGRBGGHS-UHFFFAOYSA-N	322.767	3.651	50	20	DHGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)c1ccccc1	794864369	DBZVFEIHLIBCKZ-QINSGFPZSA-N	317.323	3.801	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)[C@H](CO)C(C)(C)C	811464960	FPBCKKLNLZAZDL-MRXNPFEDSA-N	313.869	3.533	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1sc(-c2ccccc2F)nc1C	814699954	LLQLVRPYIVXGGG-UHFFFAOYSA-N	317.389	3.508	50	20	DHGD	
CC1(C)CCC(=NNC(=O)CSc2ccccc2O)CC1	814970012	RVKAPQUSKDURIX-UHFFFAOYSA-N	306.431	3.557	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cccc(-c2ccoc2)c1	817010290	UXNSCRCDDFLRHD-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
C=CCC(C)(C)CNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	817457867	ZJYMXHOTEDLXMS-FOWTUZBSSA-N	312.413	3.711	50	20	DHGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNc1cc(C(F)(F)F)ccc1F	827303712	MPTCCYFDCRHRCL-QXEWZRGKSA-N	316.298	3.724	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2ncc(C)s2)c(Cl)c1	838506576	HYLNJANGFMBCGX-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(F)c1	849245287	QEUBEADUJRGBKP-KAQJVSAMSA-N	303.333	3.525	50	20	DHGD	
CCOC1CCC(=NNC(=O)CSc2ccc(C)cc2)CC1	853275683	MMJWEXZJOXGFTN-UHFFFAOYSA-N	320.458	3.538	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093700	NALGHQMDIOFJDL-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
C[C@]1(CN[C@@H]2CCSc3ccccc32)C[C@@H]1Br	857081327	FAXOBRJSODKRSL-KWCYVHTRSA-N	312.276	3.987	50	20	DHGD	
COc1ccsc1[C@H](C)NC[C@@]1(C)C[C@H]1Br	857082059	KZFOIWRQPVNWST-MKPLZMMCSA-N	304.253	3.581	50	20	DHGD	
CC[C@@H](NC[C@@H](CBr)C1CC1)c1nc(C)cs1	859247366	ULOSLEXKIWAEBZ-VXGBXAGGSA-N	317.296	3.913	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2nc[nH]c2C(C)(C)C)cc1	868780981	FDZFMQBIUDENBH-UHFFFAOYSA-N	300.406	3.588	50	20	DHGD	
CSc1ccc(C)c(NC(=O)[C@@]2(C)C[C@H]2Br)c1	907226746	KJTKATBMOQJLRH-YPMHNXCESA-N	314.248	3.829	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)Nc3ccccc3C)c[nH]c2c1	917545388	ULHOCZMCOTUOFE-UHFFFAOYSA-N	306.369	3.940	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1cnn(C2CCC2)c1	934308387	JLTKMUGAUITFGL-UHFFFAOYSA-N	319.796	3.719	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1F	1319571139	FOKZGGGUQHFXAZ-BVTUPMQUSA-N	324.355	3.619	50	20	DHGD	
CC(C)(C)CN(CCC#N)C[C@H](CBr)C1CC1	1334970607	AJIFWQNRAKVITO-ZDUSSCGKSA-N	301.272	3.669	50	20	DHGD	
Cc1cccc2c1OCC[C@H]2NC(=O)C1CCC(Cl)CC1	1548691285	NWKCSNIMAFQLJJ-SSDMNJCBSA-N	307.821	3.732	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(CCC(=O)O)CC1	1590451820	SLROYTPDUBXWKH-UHFFFAOYSA-N	315.530	3.585	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1	103141324	PFWBSIVWIASDCY-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	119030718	UKJZQTOTQDQPPL-HUUCEWRRSA-N	302.324	3.520	50	20	DHGD	
CO[C@](C)(C(=O)NNc1cccc2c1CCCC2)c1ccccc1	120045672	UZEKTTSTIPWNEO-FQEVSTJZSA-N	324.424	3.570	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1cccc(F)c1F	120132939	POTSAVWVZWXVTN-OLZOCXBDSA-N	322.742	3.865	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(F)cc(Cl)c2O)c1	120429773	IXYDQHBMPCRXOS-UHFFFAOYSA-N	308.740	3.558	50	20	DHGD	
COc1cc(F)cc(NNC(=O)/C=C/c2ccc(Cl)cc2)c1	130877515	ZRPUBEFPBLWAGX-QPJJXVBHSA-N	320.751	3.644	50	20	DHGD	
Cc1cccc2c1[C@H](C)/C(=C/c1cnn(CCCl)c1)C2=O	157602177	PMIZQEOLTNLLRA-PWDRSIHYSA-N	300.789	3.814	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@H](C)c1cccc(F)c1	160955084	KTLLMKYDOSEGNJ-NSHDSACASA-N	304.340	3.910	50	20	DHGD	
Cc1cccnc1NC(=O)NNc1cccc(C(F)(F)F)c1	170697945	JWFOKLBPURWLBB-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@H]1C[C@]12CCCc1ccccc12	174636860	CPVLMQILVPIENA-MJGOQNOKSA-N	310.372	3.563	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ccc(Cl)c(F)c1	175446930	OHBYOXOWIPJGEH-AWEZNQCLSA-N	314.788	3.660	50	20	DHGD	
C[C@H](O)CC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	176079548	CDJGXSSPNSWVHL-STQMWFEESA-N	319.536	3.614	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cccc(C(F)(F)F)c1	184324568	WCKYRRMWYZBEFW-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(C2CCC2)cc1	189659644	JSMGLNQKIHGSTL-UHFFFAOYSA-N	311.341	3.619	50	20	DHGD	
CC(C)C[C@](C)(CN)NC(=O)CCCC[C@@H]1CCSS1	236674081	NVVKRWPFMHTHSZ-UKRRQHHQSA-N	318.552	3.580	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1	255210873	HXAJFMCGPUTOJV-WQRHYEAKSA-N	320.392	3.996	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)c2nnc3n2CCCCC3)c1	255300395	PZESRKRKVVVXRI-VBKFSLOCSA-N	320.396	3.633	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(F)c(F)c(F)c2)cc1	255369043	JXTLLERIAOCMCH-WUXMJOGZSA-N	316.282	3.958	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)o1	490727096	XYCJOIFOLUQZIN-DHZHZOJOSA-N	316.744	3.625	50	20	DHGD	
CCC(=NNC(=O)c1cccc2ncccc12)c1ccc(F)cc1	730146712	DXNFKUNVMZUKDQ-UHFFFAOYSA-N	321.355	3.918	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1cccc2ncccc12	730147242	PYDDAZILOTVHPQ-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(Cl)cc1)c1ccccc1	731931175	YTGQBQXDIDQYIP-INIZCTEOSA-N	300.789	3.984	50	20	DHGD	
Cc1c(NNC(=O)N[C@@H](C)CCC(C)(C)C)cccc1[N+](=O)[O-]	737061483	ORRFCCZGOHKMLV-NSHDSACASA-N	322.409	3.744	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2c(C)noc2C(C)C)c(C)c1	743763847	UKJUDZFUETUOPJ-UHFFFAOYSA-N	301.390	3.789	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1ccc(Cl)cc1F	747646944	VTNMAWHFCOMFRJ-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	749891401	JFMLRHDBJHQAQH-VBKFSLOCSA-N	323.396	3.945	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1ccnc(F)c1	754297846	BAZZHLWORQTBTJ-OLZOCXBDSA-N	313.376	3.653	50	20	DHGD	
Cc1ccncc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757421131	DSQLUZCQIGFVID-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1cc2ccccc2s1	758369526	HJGTUQKZGJNGAI-UHFFFAOYSA-N	312.369	3.733	50	20	DHGD	
CCCCCCOc1ccc(C(=O)NN=C(C)[C@H](C)OC)cc1	763141636	UNKAXYNWXHATNT-HNNXBMFYSA-N	320.433	3.786	50	20	DHGD	
C[C@@H]1CCCCC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764810268	QHJRGRNAIYSPDI-LLVKDONJSA-N	314.364	3.512	50	20	DHGD	
CN(C)C(=O)NN=Cc1c(Cl)cccc1Oc1ccccc1	769575874	TWQBTQYXDARCEL-UHFFFAOYSA-N	317.776	3.737	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	773453601	DYWPYJOXQRSYDD-LBPRGKRZSA-N	300.324	3.975	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCCC1=CCCCC1	781070499	MNEVALRNEFTMHE-LBPRGKRZSA-N	302.256	3.803	50	20	DHGD	
CC(CCCCN(C)C)=NNC(=O)c1ccc2ccccc2c1	781122410	IWMCPWUNBGKEKQ-UHFFFAOYSA-N	311.429	3.677	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c[nH]1	797398516	HZNWYEDBHLLCIW-VZUCSPMQSA-N	315.398	3.619	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)CCc1ccco1	799528295	ZGXQRKKYGLSGIV-AWEZNQCLSA-N	315.417	3.798	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC[C@H]3C[C@@H]23)c(C)n1-c1ccccc1	800805235	RXWIGFSHOMIWOW-MAUKXSAKSA-N	321.424	4.000	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1ccc(O)c(Cl)c1	800813026	PXWVWDIMGAMVHC-SNVBAGLBSA-N	312.772	3.681	50	20	DHGD	
CC(C)SCCNC(=O)NNc1ccc(Cl)cc1Cl	807573171	DLZHXQUKADLVPX-UHFFFAOYSA-N	322.261	3.761	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1ccc(Cl)cc1Cl	808247628	IPUFGICEXYXGSY-UHFFFAOYSA-N	315.027	3.798	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCO[C@H](c2ccco2)C1	808731916	HGPXDOUFOCGTGV-HNNXBMFYSA-N	311.498	3.675	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ncccc1Cl	810406091	VXYZPZNCICIVJZ-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
N#C/C(=C\c1nccc2ccccc12)c1ccc([N+](=O)[O-])cn1	812242180	NRLZCMFJHXZLBX-UKTHLTGXSA-N	302.293	3.602	50	20	DHGD	
CCSc1cccc(CNC(=O)NCCSSC)c1	813748187	KCGKQKWRIVNLOX-UHFFFAOYSA-N	316.517	3.609	50	20	DHGD	
CO[C@](C)(C=NNC(=O)c1ccc(Cl)cc1Cl)C1CC1	814762273	USFYYFPMOSADMH-CQSZACIVSA-N	315.200	3.524	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3ccccc3c2)cc1	817921105	IXLXBIVPPUVYBY-UHFFFAOYSA-N	306.365	3.995	50	20	DHGD	
O=C(NN=C1CCCC12CCC2)c1cc(-c2ccccc2)on1	834937165	LFDORAHJVXCCSE-UHFFFAOYSA-N	309.369	3.782	50	20	DHGD	
CCCn1nc(C)c(C(=O)NNc2c(C)cccc2Cl)c1C	836934156	QAQTWJOGVXFKSE-UHFFFAOYSA-N	320.824	3.629	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ncc(F)cc2F)cc1	837207973	GFYCMRQGEVRMCN-SNVBAGLBSA-N	305.328	3.630	50	20	DHGD	
Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)nc1	844012108	KBLHVDMBGLXPBJ-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1)NC1CCCC1	853297049	RIFQUNLUYZUIBC-GHMZBOCLSA-N	305.344	3.583	50	20	DHGD	
CCC[C@@H](C(=O)NCCCSC#N)c1ccc(Cl)cc1	854364002	WNERODZRRBTCOL-CQSZACIVSA-N	310.850	3.944	50	20	DHGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NN[C@H](C)C(F)(F)F)c1	862320927	XFPCCKIQFJSUBR-VXGBXAGGSA-N	316.367	3.560	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCCc2cccnc21	885127007	KCXCRTNYOLQENP-CQSZACIVSA-N	315.804	3.607	50	20	DHGD	
C[C@@H](c1ncccn1)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	931001086	UTPOEKSWKLGESW-KBPBESRZSA-N	307.514	3.634	50	20	DHGD	
C[C@]1(COC(=O)C2CCC(F)(F)CC2)C[C@@H]1Br	1263537630	VGMUQZAVYWRYPQ-GXSJLCMTSA-N	311.166	3.529	50	20	DHGD	
CCS[C@H]1CC[C@@H](N(C)C(=O)C2CCC(Cl)CC2)C1	1263754691	VCYCNDSDLAXBSS-PQAZSJQKSA-N	303.899	3.917	50	20	DHGD	
Cc1cc(NNC(=O)c2occ(C)c2C)ccc1Br	1323562159	VTYFNEDYUMHNIJ-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
CC(F)(F)C1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC1	1328322243	UFXIICNJCKNWPD-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
C[C@H]1CN(C(=O)c2cccc(CCl)c2)CC2(CCCC2)O1	1337281346	JAOJBGGRSUSXQN-ZDUSSCGKSA-N	307.821	3.599	50	20	DHGD	
CC(CCC(F)F)=NNC(=O)[C@H]1CCCO[C@H]1c1ccccc1	1549905028	PHCAMVKHRPGHHB-HOCLYGCPSA-N	324.371	3.692	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)NCc1ccccc1	6281934	BPLWUQMMYCMQGG-XYOKQWHBSA-N	302.786	3.625	50	20	DHGD	
Cc1nnc([C@@H](C)OC(=O)CCCC[C@H]2CCSS2)o1	68507333	UHDQCJVHFHZHLE-KOLCDFICSA-N	316.448	3.696	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2cccc(C(F)(F)F)c2)c1	72514562	WLIBDECWUOBNLC-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
CC[C@H](NC[C@@H](C)CBr)c1ccc(OC)cc1	152763436	PDLAJXBSYWQBHF-FZMZJTMJSA-N	300.240	3.767	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccccc1F	153066169	MWEABBHZCASUEV-LBPRGKRZSA-N	304.340	3.677	50	20	DHGD	
O=C(Cc1c(Cl)cccc1Cl)NNc1cccc(F)c1	154986398	BHLUCJRSPGUUHY-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2(c3ccccc3)CCCC2)cc1	155185192	WVIPXIXGABVYGT-UHFFFAOYSA-N	305.381	3.513	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1ccc(F)c(F)c1F	156978175	SYQLHFBXCUIHNQ-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NNc1cc(C)ccc1C	158893412	VXHKDXGDZRUAOI-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
O=C(CSc1ccccc1)NNc1ccc(Cl)c(F)c1	175452737	QMRLAOYRVLTRPW-UHFFFAOYSA-N	310.781	3.715	50	20	DHGD	
CS[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	183057881	ZXAYIXMZUQGBRW-WTEYMAAXSA-N	318.417	3.523	50	20	DHGD	
CCCc1cc(C(=O)NNc2cc(Cl)ccn2)sc1C	272462899	LASOIHUHOOTRSB-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2c(F)cccc2Cl)C1	281560404	LBYQYPHDFYHNKT-WDEREUQCSA-N	314.788	3.518	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(Cl)nc1	490727417	ZOFKTRCFMUDQJF-ZSOIEALJSA-N	311.772	3.898	50	20	DHGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c(C)c(C)c1O	490979933	ZIHNBYDPYWJSKT-OQLLNIDSSA-N	322.364	3.569	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1nc2ccccc2n1C1CCCC1	740810604	QRDASUTUSGMIAY-OUKQBFOZSA-N	324.384	3.534	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C#N)s2)c1C	748995274	YQYOIDOVSAFNMX-MDWZMJQESA-N	307.378	3.782	50	20	DHGD	
CC[C@H](CSc1ccccc1)NC(=O)NNc1ccccc1	752706196	DQOBDFAVTAOSNL-CQSZACIVSA-N	315.442	3.884	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)C1CCC1	756735095	YMAVYOAXYWKKLS-MRVPVSSYSA-N	302.205	3.808	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cc(Cl)cc2cccnc12	763172431	MBEPPMUOBXVFGO-UHFFFAOYSA-N	303.793	3.775	50	20	DHGD	
C/C=C(/C=C\C(=O)NNC(=O)c1ccc2ccccc2c1)CC	764918386	AMQJLNKTSKAJFI-MQGQHWJDSA-N	308.381	3.513	50	20	DHGD	
C[C@H](C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)CCC#N	766002785	QFSZGYZFGTYPNF-NEPJUHHUSA-N	303.431	3.528	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-]	774563323	ZPQNJZNKIBSJTC-DHDCSXOGSA-N	322.320	3.602	50	20	DHGD	
CC(C)(C#N)CC(=O)NN(Cc1ccccc1)c1ccccc1	780529719	ZQSQULQGDMDNCE-UHFFFAOYSA-N	307.397	3.664	50	20	DHGD	
CC(C)CC[C@@H]1CCC[C@H]1NS(=O)(=O)CCCCCl	780767982	AZKDDNYRFXYBGN-UONOGXRCSA-N	309.903	3.530	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)[C@H]1CCc2ccccc21	781068222	IVTKJQHQQVDHBQ-UONOGXRCSA-N	324.262	3.942	50	20	DHGD	
C=CCCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	786222452	AFIKUUPTKVFXJL-QGOAFFKASA-N	313.445	3.847	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)c1ccc2ccccc2c1	791224187	CBPKHNCFFCYLTR-AWEZNQCLSA-N	305.381	3.790	50	20	DHGD	
N#Cc1csc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791727477	XCLSKDANRAMXKW-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)c1cccc(C#N)c1)c1ccccc1	794509209	ZWKFMHNAJWWZPC-SFHVURJKSA-N	305.381	3.714	50	20	DHGD	
N#C/C(=C\c1ccccc1C#N)C(=O)c1ccc2ncccc2c1	794964540	DJJVSJDIJLGYFX-VCHYOVAHSA-N	309.328	3.896	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cc(Cl)ccc1O	797400490	CZQNBAZGPCKQBV-GHMZBOCLSA-N	308.809	3.978	50	20	DHGD	
Cc1oc(C#N)cc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	798213980	ZBYFLMFVFBKMLW-UHFFFAOYSA-N	322.276	3.740	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNC(=S)Nc1ccccc1C(C)C	803177710	JRBJSKDUNXRVPS-CYBMUJFWSA-N	321.490	3.954	50	20	DHGD	
Cc1cc(C(=O)CCC(=O)N(C)CC(Cl)Cl)c(C)s1	808247391	XRDVXSISYBWVPZ-UHFFFAOYSA-N	322.257	3.590	50	20	DHGD	
COCCC(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	814770317	ZGTICDARUBISIZ-UHFFFAOYSA-N	320.389	3.696	50	20	DHGD	
CCC[C@H](C(=O)NNc1nc2ccccc2n1C)c1ccccc1	816579863	IOXGPEMVZRFAMZ-HNNXBMFYSA-N	322.412	3.600	50	20	DHGD	
C[C@@H]1C[C@@H](NCc2ccc(OCCCCl)cc2)c2nccn21	825016313	AQBJZVJXBUVTSF-CZUORRHYSA-N	319.836	3.686	50	20	DHGD	
CCO[C@@H]1CCC[C@H]1NCc1ccc(OCCCCl)cc1	825289974	LRQKSZCFBFMZHG-IAGOWNOFSA-N	311.853	3.742	50	20	DHGD	
CCC[C@@](C)(N)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	831763026	BCEPWBPWOSAYQC-GFCCVEGCSA-N	324.639	3.607	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCC23CCC3)o1	834949674	JOBDXKMJMWCCIJ-UHFFFAOYSA-N	317.433	3.561	50	20	DHGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2c(C)cccc2Cl)n1	836934882	TUSYLCMBUWGMNJ-ZDUSSCGKSA-N	320.824	3.556	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCCc3cccnc32)cc1	837056570	BABZYAWGRFEASI-KRWDZBQOSA-N	309.413	3.768	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2ccc(C(C)C)cc2)nc1C	838751127	JMFVYZYOKIHDNC-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
C[C@@H](CSCc1ccccc1)C(=O)N(C)CC(Cl)Cl	848082190	BSGMJHQMJCGSAL-NSHDSACASA-N	320.285	3.818	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2cc(C)c(C)cc2C)cc1C	916297834	JGZXQLCOXPFIKH-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)OC(C)(C)C)cs2)cc1	918707416	DIWOOUFGYZWZKH-UHFFFAOYSA-N	317.414	3.977	50	20	DHGD	
CCN(C[C@H](C)C#N)C(=O)CCCC[C@@H]1CCSS1	919884109	LCRJSBOVKHZPEB-CHWSQXEVSA-N	300.493	3.709	50	20	DHGD	
CCN(CC)C[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	921079314	UYNMQDQVGUBWDS-KGLIPLIRSA-N	318.552	3.547	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccc(C(C)C)nc1	928339433	GOVWJESQNSPIAC-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CCc1cc(OCC(=O)NNc2ccc(C)cc2)ccc1Cl	1115858386	OPVUTMPATTUZBI-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
CCc1[nH]nc(NCc2ccc(OCCCCl)cc2)c1C	1323936433	SRQSUCUKLZJSRV-UHFFFAOYSA-N	307.825	3.900	50	20	DHGD	
N#CC(C#N)=CNc1cc([N+](=O)[O-])ccc1Nc1ccccc1	15241543	GTJWZUWDZNLZQB-UHFFFAOYSA-N	305.297	3.681	50	20	DHGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)on1	29488521	QXBZFUUPVWEHDB-UHFFFAOYSA-N	320.563	3.700	50	20	DHGD	
N#C/C(=C/c1ccc(-c2cccs2)cc1F)C(=O)NC1CC1	54802020	ROYHUGLIXSUCHB-JYRVWZFOSA-N	312.369	3.740	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)c2nc(C)cs2)c1	55038414	LKETZSCHIFTOFO-RIYZIHGNSA-N	300.383	3.541	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)c1cccc(OC)c1	82066122	RAZFGVMSJJQXJS-WJDWOHSUSA-N	307.349	3.884	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(N2CCCCC2)cc1	119267307	YDIOHBJFROHKHR-UHFFFAOYSA-N	310.401	3.826	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)C1(c2cccc(F)c2)CC1	120260782	HFQVLLJRJDNZNH-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3ccc(F)cc3nc2C)cc1	121251193	QLUQOUWYYXGXQW-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2ccc(C(F)(F)F)cn2)C[C@@H](C)C1	131822723	VDJXWDHKVJHHNR-UWVGGRQHSA-N	315.339	3.616	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2cccc(C(F)(F)F)c2)cc1	153235300	IRCFXKMLIOZPET-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
CC(C)Cc1nc(C(=O)NNc2ccccc2Cl)cs1	158238355	APOORZLDBRFLDI-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCCc2ccccn2)cc1	181159366	JTQGWYMFHILROM-UHFFFAOYSA-N	311.429	3.845	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccccc1C#N)c1ccccc1	188823610	QJSAKDFDMNGDDR-OVCORXIESA-N	315.376	3.733	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccccc2)o1	191757064	IDBINFUMAVQABY-RVDMUPIBSA-N	301.367	3.636	50	20	DHGD	
CCCCCC(=NNC(=O)c1ccc(N)cc1)c1ccccc1	257353505	ROOPEJOGDDSGSL-UHFFFAOYSA-N	309.413	3.983	50	20	DHGD	
CCn1nccc1C1CCN(/C(=C/C#N)c2ccccc2)CC1	278860114	LBANECYGAJGEDL-QGMBQPNBSA-N	306.413	3.647	50	20	DHGD	
CCCOc1ccc(C(=O)NNc2ccc(C)cc2)c(OC)c1	295428943	ONEVEINWMKRDSK-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
CCC/C(C)=C/C(=O)NNC(=O)c1c(Cl)cccc1Cl	727791701	QZNLUELZMKQGRT-CMDGGOBGSA-N	315.200	3.501	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3nccc4sccc34)cc2c1	734248070	JUGHQEHUTXTSGY-UHFFFAOYSA-N	322.393	3.843	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H](C)C(C)(C)C)cc1	734444369	YEDIBZIRIGNKED-VQCBNXJZSA-N	314.429	3.791	50	20	DHGD	
N#C/C(=C/c1occc1Br)C(=O)c1ccsc1	735304217	HSDOCPRCHDWFIV-UITAMQMPSA-N	308.156	3.893	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2c(F)cccc2F)cc1	735759740	VPPXJLPSHUITTA-LLVKDONJSA-N	305.328	3.661	50	20	DHGD	
Cc1csc(-c2cccc(C(=O)NN(C)c3ccccc3)c2)n1	740076400	ZAAIUAOWGAFDBI-UHFFFAOYSA-N	323.421	3.900	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ccc(Cl)c(F)c1	746697504	XXOPTOIREUIXCE-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
C[C@H](CNC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	746744869	WIIHKDDGWBBPNH-SNVBAGLBSA-N	323.318	3.534	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(C#N)cc1)CCc1ccccc1	749158457	SCSMCSUNXISPTL-HNNXBMFYSA-N	305.381	3.543	50	20	DHGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)c1cnccn1	751155167	APLXESNTYJIUFE-VXGBXAGGSA-N	312.460	3.795	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C(/C)c1ccccc1	751164898	LESSSJABWJOYTO-BENRWUELSA-N	313.309	3.612	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1COc2ccccc21	752811375	TUMMKENNXPECPJ-NSHDSACASA-N	323.179	3.613	50	20	DHGD	
CSCC[C@H](C)NC(=O)NNc1cc(Cl)ccc1Cl	752979200	DPILVQREWOIGHS-QMMMGPOBSA-N	322.261	3.761	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cccc(Cl)c1F	759653717	STDJFZNGIZTBDS-UHFFFAOYSA-N	318.779	3.952	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(F)ccc1O	764329634	ZSARLXSCRMYXKJ-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)Nc2ccc(N(C)C)cc2)C1	768360807	ANMCCGACQXKKPS-ZIAGYGMSSA-N	302.422	3.686	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	769567681	TUVNMWIERUHSKL-VXGBXAGGSA-N	303.362	3.527	50	20	DHGD	
Cc1c(C(=O)OC[C@@H](C)CBr)cnc2ccccc12	770396808	DSOFEXKJXIJSQE-JTQLQIEISA-N	322.202	3.731	50	20	DHGD	
C[C@H](CBr)CN1CCC2(CC1)OCc1ccccc12	770657546	QNSXLFXMTMXABV-CYBMUJFWSA-N	324.262	3.539	50	20	DHGD	
Cc1cccc(NNC(=O)C2(CCOCc3ccccc3)CC2)c1	771725641	YQWDJPAXAQOBOF-UHFFFAOYSA-N	324.424	3.825	50	20	DHGD	
C=C(C)[C@@H](NC(=O)NNc1ccccc1)c1ccc(F)c(F)c1	776182036	MHKPRAIXRYOMRC-MRXNPFEDSA-N	317.339	3.908	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCC=CO1	777837940	IUSSQOSHQLNZJQ-SNVBAGLBSA-N	321.591	3.783	50	20	DHGD	
Cc1ccccc1-c1noc([C@@H](C)OC(=O)/C(C#N)=C\C2CC2)n1	786673908	MXTPQLLWWZKCJH-OJLMPMFISA-N	323.352	3.509	50	20	DHGD	
CC1(C)CCC(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	787473648	BYKZOPDQMBVXRD-WJDWOHSUSA-N	312.413	3.632	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1ccc(C#N)cc1	789996520	PCTLOWPKJXAEKL-UHFFFAOYSA-N	311.410	3.568	50	20	DHGD	
CSSCCNC(=O)c1csc(-c2cccs2)n1	791094307	HNOZSBMPISUAEZ-UHFFFAOYSA-N	316.498	3.613	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)C1CCOCC1	794951957	CGTZZOQDQSDHNT-GXDHUFHOSA-N	319.788	3.641	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)CC1CC(c2ccccc2)C1	799001505	HOMAQBBBINVWLV-UHFFFAOYSA-N	324.428	3.627	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](N2CCCC2)C1	808710930	QOSHVGWWFMIMHC-MRXNPFEDSA-N	312.574	3.568	50	20	DHGD	
Cc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)c2ccco2)cc1	810210406	UHEUBKVKCMVTNT-NTEUORMPSA-N	303.321	3.768	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2cncn2c1	812770338	NWLUZWNAAGHBJV-UHFFFAOYSA-N	308.385	3.523	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1Cc2cnn(-c3ccccc3)c2C1	815310832	MVPFITQNHPVTKS-ODLFYWEKSA-N	312.376	3.753	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](OC(C)C)c2ccccc2)c1	815856434	LJIULQBYOUXLOH-QGZVFWFLSA-N	316.376	3.744	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccc(C(C)C)cc2)cc(O)n1	821938962	JXFRTNFVOGOURB-UHFFFAOYSA-N	313.401	3.620	50	20	DHGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1ncnc(Cl)c1C(C)C	840544674	HXMNCZZFOUGWDP-MNOVXSKESA-N	310.829	3.523	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCC(C)(C)C1	840547300	KLCKZKXVIPGSOX-SNVBAGLBSA-N	310.829	3.523	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	843860097	XEFHCSYJQQBWLH-GXSJLCMTSA-N	315.339	3.616	50	20	DHGD	
N#CSCCCNC(=O)c1ccccc1CCC(F)(F)F	854361448	DJLUQOYVVRIVCK-UHFFFAOYSA-N	316.348	3.516	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1	854952889	OQDIKRWHFNDDQN-MZLKKBAMSA-N	312.413	3.615	50	20	DHGD	
CC(C)[C@@H](F)C(=O)NNc1ccc(Cl)cc1Br	856233105	WMKQHGPGBFYHPB-SNVBAGLBSA-N	323.593	3.540	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)NC[C@@]1(C)C[C@@H]1Br	857062460	AKPCAFNTJOFMJX-DDTOSNHZSA-N	300.215	3.520	50	20	DHGD	
COCc1ccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)cc1	899893191	NHGHLVGMPPJDRR-UHFFFAOYSA-N	315.325	3.577	50	20	DHGD	
CCCN(CCN(C)C)C(=O)CCCC[C@H]1CCSS1	921091634	LJCVLYLBAITVQQ-AWEZNQCLSA-N	318.552	3.501	50	20	DHGD	
O=C(NC[C@H]1CC=CCC1)NNc1ccc(Cl)cc1Cl	921122461	FNMCHIMQHVQJQF-JTQLQIEISA-N	314.216	3.976	50	20	DHGD	
N#C/C(=C\c1ccc2cnccc2c1)c1nc(N)c2ccccc2n1	1256048766	QQGCWKVNVWBDIT-MHWRWJLKSA-N	323.359	3.824	50	20	DHGD	
Cc1nc(C)c(CC(=O)NNc2ccc(C(C)(C)C)cc2)s1	1262117736	XUNOXLXOYOZWMX-UHFFFAOYSA-N	317.458	3.743	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc(C)c1O	1317874257	MYNIYZBFZCBMQP-ZROIWOOFSA-N	316.364	3.599	50	20	DHGD	
CCOc1ccc([C@H](NC(=O)CCl)c2ccccc2)cc1	1324701277	GCWNBDQFJMSKLY-QGZVFWFLSA-N	303.789	3.530	50	20	DHGD	
O=C(Nc1ccc2c(c1)OCCCO2)C1CCC(Cl)CC1	1347250713	OUGNPCNLIUMUBB-UHFFFAOYSA-N	309.793	3.584	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(CC(=O)O)cc2)n1	1776381083	AWQPXVWWGXYFDC-AUWJEWJLSA-N	312.394	3.958	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	7210992	BYLMOTLGWSLVFD-LFIBNONCSA-N	304.349	3.743	50	20	DHGD	
COc1ccc(OC)c(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	33936264	DWCBBRWDWCEGNV-LCYFTJDESA-N	305.337	3.644	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1c[nH]nc1C(C)(C)C	60529063	QOYFBGIBXNAKJT-NTEUORMPSA-N	322.412	3.870	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1cccc(C(F)(F)F)n1	84632437	YRUOGNXUDIITNG-UHFFFAOYSA-N	303.328	3.616	50	20	DHGD	
CCOCc1cccc(NC(=O)NNc2ccccc2F)c1	92602730	LDGOPYQKKLNEGW-UHFFFAOYSA-N	303.337	3.511	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ncccc1Cl	173603738	ZKWUVBLVCDJARI-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C2(Cc3ccccc3F)CC2)c1	188970458	NCBUWFBQAGMTTJ-UHFFFAOYSA-N	312.388	3.909	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2ccc3ccccc3c2)cc1	254446277	ZEFRXDCHJZLGFU-UHFFFAOYSA-N	318.376	3.677	50	20	DHGD	
N#C[C@]1(C(=O)NNc2c(Cl)cccc2Cl)CC12CCCC2	294840835	FIELKJALXJLDHZ-HNNXBMFYSA-N	324.211	3.911	50	20	DHGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491161132	NTXJWHAMSZDBRR-LDADJPATSA-N	320.392	3.656	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C\c1ccc2ccccc2n1	492735168	LFGRNWUNIQFNGZ-QXMHVHEDSA-N	321.355	3.839	50	20	DHGD	
CCCCCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)C(C)C	588515490	SJHLINNERDJUDG-FOWTUZBSSA-N	300.402	3.726	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	727256367	YQSVSVOMBULHNY-QMMMGPOBSA-N	306.715	3.855	50	20	DHGD	
O=C(/C=C/C1CCOCC1)NN(c1ccccc1)c1ccccc1	732626776	OJUJRNZWMHXNPE-VAWYXSNFSA-N	322.408	3.839	50	20	DHGD	
C[C@H]1CCCC[C@H]1CNC(=O)NNc1cc(F)c(F)cc1F	734663889	NWWUJBBDEYRQCJ-UWVGGRQHSA-N	315.339	3.556	50	20	DHGD	
CC(C)c1ccc(OCCC(=O)NNc2ccc(F)cc2)cc1	742276175	YLDZXYSDSTZYBA-UHFFFAOYSA-N	316.376	3.861	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1ccc(F)cc1	742516850	NYIOKTMJSTUPPD-MAZHCROVSA-N	308.397	3.643	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1)c1ccccc1C(F)(F)F	743298464	ZHWOLDRWWFBCQC-NSHDSACASA-N	308.303	3.952	50	20	DHGD	
O=C(/C=C/C1CCCCC1)NNc1ccc([N+](=O)[O-])cc1Cl	748733221	ZKVWEMPLZCSOMZ-RMKNXTFCSA-N	323.780	3.828	50	20	DHGD	
Cc1cccc2c1CC[C@H]2NC(=O)/C(C#N)=C\c1ccc(F)cc1	752030256	PQAFOKMVNCITBO-ILCZHQDMSA-N	320.367	3.845	50	20	DHGD	
CCc1ccccc1CNC(=O)/C(C#N)=C/c1ccc(F)cc1	752437337	DJWPYVORRMHCQY-GZTJUZNOSA-N	308.356	3.611	50	20	DHGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)/C(C#N)=C/c1ccc(F)cc1	752468321	STHMZTJZBYBDAE-LUTBZEOJSA-N	320.367	3.579	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc(N)cc2)C[C@@H]1c1ccccc1	768475745	BGIRCYNSJYXQSZ-MRXNPFEDSA-N	307.397	3.568	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc2c(cnn2C(F)F)c1	770074316	VEUMLYIRZRTYFV-UHFFFAOYSA-N	317.299	3.580	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@H](F)Cc1ccccc1	770191742	VYOXVUDOWDGXRQ-CYBMUJFWSA-N	310.731	3.503	50	20	DHGD	
CCc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1C	770262732	CMNKUHFQKYEJJB-UHFFFAOYSA-N	319.836	3.862	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cscc2Cl)cc1	771840879	LUCDBOBDSMGIHR-UXBLZVDNSA-N	318.785	3.956	50	20	DHGD	
CCCCCCCCC(=O)NNc1cnc2ccccc2n1	774770702	NPYPRJOUWKQVJX-UHFFFAOYSA-N	300.406	3.824	50	20	DHGD	
O=C(CCCC(F)(F)F)NNc1ncc(Cl)cc1Cl	775271308	HIGNYHNJWXGNMV-UHFFFAOYSA-N	316.110	3.564	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@@H](C(F)(F)F)C1	783517271	UNPMDKJINLFUMS-SNVBAGLBSA-N	314.307	3.534	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccc(F)c2F)o1)C1CCCC1	790157544	FNPKGNXAMQOMQL-UHFFFAOYSA-N	318.323	3.865	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H](F)CC1CCCCC1	793709447	RMLGIMLHLWOYKZ-CYBMUJFWSA-N	300.324	3.716	50	20	DHGD	
CCCN(N=Cc1ccc2c(c1)CCN2C)C(=O)OC(C)(C)C	794996622	JVAQWCXZUATWHS-UHFFFAOYSA-N	317.433	3.660	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(Cl)c1	797025682	NQBPUCDZFZERAR-UKTHLTGXSA-N	312.756	3.894	50	20	DHGD	
CC(C)n1cnc(C(=O)NNc2cc(Cl)ccc2Cl)c1	798981105	AKALXIXEXFXHLZ-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(F)n1)c1ccc(C)cc1	804768098	NBGDGOXZTJGDII-ZDUSSCGKSA-N	301.365	3.556	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(F)n2)cc(C)c1Cl	806512312	OZGLTQRWGCAYBD-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
C[C@H]1C[C@H](CNCc2ccc(OCCCCl)cc2)CCO1	811487059	STCSKWXWOKRWJM-GOEBONIOSA-N	311.853	3.599	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)c1c(C)n[nH]c1C	812768736	DPSMJDLUKTZVCU-LBPRGKRZSA-N	314.433	3.705	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3ccccc3nc2C)cc1	817925410	FVXWVWCSHDOELH-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C)c(F)c2)n(C(C)(C)C)n1	820153072	JGOPVBRNNPBPAB-UHFFFAOYSA-N	319.384	3.543	50	20	DHGD	
C=C(CBr)CN(C)[C@H]1C[C@H](c2cccc(OC)c2)C1	832581054	ZLPSQAJTXOVZLT-SHTZXODSSA-N	324.262	3.824	50	20	DHGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(/C#N)C(=O)C(C)(C)F	834447390	MKWUJPSOULOHKQ-XNDUYFRBSA-N	302.305	3.765	50	20	DHGD	
CC1(C(=O)NNc2cccc(Cl)c2Cl)CCC(=O)CC1	838347388	YOVMQILKRSLKRE-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccnn2CC(C)C)cc1	843265271	VTBVLANPJFYXGQ-LFIBNONCSA-N	322.412	3.647	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C(\C)COC	844308051	AEPCQCJFXLRDEG-KPKJPENVSA-N	318.442	3.916	50	20	DHGD	
Cc1csc([C@H](C)C(=O)NNc2c(C)cccc2Cl)n1	854842651	CCBOYEYCYCYDOS-SNVBAGLBSA-N	309.822	3.660	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(F)c(Cl)c2)C1	863082314	HQZPWOAUGQPPJC-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1cc(Cl)ccc1F	871269513	FMBKBRJLHITZTN-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
CC(C)Nc1cccc(-c2cn(/C=C/CBr)nn2)c1	881295660	SHAUAKPYHVFPPB-XBXARRHUSA-N	321.222	3.631	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)Nc2ccccc2C)c1	915971386	RWTKEOHZXJVUGT-UHFFFAOYSA-N	309.369	3.715	50	20	DHGD	
CCCCCCOc1ccc(C=NNC(=O)C(C)C)cc1OC	916327980	KLLRIWNRZNAWEV-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
Nc1ccc(C(=O)NN=Cc2ccccc2-c2ccccc2)cc1	917532600	MOQPRYYRAFBNMS-UHFFFAOYSA-N	315.376	3.700	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(C)s2)n1	920388533	YWMXAWCAHMJUFL-UXBLZVDNSA-N	304.396	3.754	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc2c(c1)oc1ccccc12	1259059548	FCESEPNDMGZVDZ-UHFFFAOYSA-N	324.380	3.783	50	20	DHGD	
Cc1ccc(-c2cccc(C=NNC(=O)C3CCOCC3)c2)cc1	1333216251	VMCMSZQLIKMBAE-UHFFFAOYSA-N	322.408	3.539	50	20	DHGD	
O=C(NCc1cccc(C(F)(F)F)n1)C1CCC(Cl)CC1	1347020755	IXVLKEYCMNUXJT-UHFFFAOYSA-N	320.742	3.514	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(CC(=O)O)c2)c1C	1777443727	NULXCRJUCWXTFS-LICLKQGHSA-N	319.360	3.720	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)c1	78934600	ORLZMIBNMFQWMG-NWDGAFQWSA-N	300.324	3.807	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccccc1[N+](=O)[O-])c1ccccc1	103426372	WKEKAOGGCNJINL-ZDUSSCGKSA-N	313.357	3.622	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)C(C)(C)C)c1	112561746	CDWSLJHFHYZPBD-XFFZJAGNSA-N	309.312	3.819	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1c(F)cccc1F	120096767	JOCVCIIJOZTCJT-VXGBXAGGSA-N	322.742	3.865	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1C[C@H]1C1CC1	124500086	WPTWRBNSASYBRA-IUCAKERBSA-N	303.164	3.622	50	20	DHGD	
N#Cc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	133402635	WBEXXBNZZGGWCJ-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)c1	175228905	NNEMWHZXODDCEZ-ICSRJNTNSA-N	306.409	3.732	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccnc2ccccc12	178476638	IPZQDMQGPYBTHJ-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
O=C(CC(F)(F)F)NNc1c(Cl)cc(F)cc1Cl	179945249	IEBQCSIZIHEEIY-UHFFFAOYSA-N	305.058	3.528	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2ccc3ccccc3n2)c1	181099659	QZBUHPUCUVXSIS-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(F)cc(F)c1	193945907	RJLOJBOXNCBGBD-VZUCSPMQSA-N	302.255	3.650	50	20	DHGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)c1ccccn1	255361757	CALFQKILQSDVRZ-RVDMUPIBSA-N	300.321	3.728	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1	490783606	RNPKZJPAOVDYMD-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
COc1ccc2oc(C=NN(C)C(=O)OC(C)(C)C)cc2c1	494077457	FYZOTUXFUTYKGX-UHFFFAOYSA-N	304.346	3.642	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1ccc(SC(C)C)cc1	728429415	HKACFQYKEWSWAW-UHFFFAOYSA-N	313.426	3.736	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)c1ccc(F)cc1	728438902	BNXHXUVSVVFGCV-TWGQIWQCSA-N	324.142	3.656	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1F	729150876	PIXJWAWJJMTHPN-MXBGREKESA-N	300.377	3.736	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cccc(Cl)c1)c1ccccc1	731150149	ASJFJLVZFHIREB-UHFFFAOYSA-N	300.789	3.768	50	20	DHGD	
CC(C)c1c(C(=O)NNc2ccccc2)cnn1-c1ccccc1	732266113	KXALYFFMOZSVGZ-UHFFFAOYSA-N	320.396	3.753	50	20	DHGD	
C[C@H]1CCC[C@@H](CNC(=O)NNc2cc(F)c(F)cc2F)C1	734665564	ZPYGZLISKQTSMX-VHSXEESVSA-N	315.339	3.556	50	20	DHGD	
Cc1ccccc1C[C@H](C)NC(=O)NNc1c(F)cccc1F	735759347	SSUNTJUCDYSMRG-LBPRGKRZSA-N	319.355	3.531	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(Cl)cc1O	746700297	IYIFOXHINLRFLL-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2ccccc2Br)o1	748058538	FZYRYIHROVVQGQ-JTQLQIEISA-N	323.190	3.597	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNc2cccc(F)c2)cc1	748101275	RLOMGRLKFSDMNT-UHFFFAOYSA-N	323.371	3.990	50	20	DHGD	
COc1cc(C(=O)NN=C(C(C)C)C2CC2)ccc1OC(C)C	750929523	BQKXOTYKNOQQEH-UHFFFAOYSA-N	318.417	3.634	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cc(Cl)ccc1F	753697342	LAGZCACJQVWSER-UHFFFAOYSA-N	318.779	3.952	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1nc(C(C)C)n2ccccc12	755627005	QEHLPCKITJFSMS-KAMYIIQDSA-N	311.385	3.708	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc2ncccc12)c1ccc(F)cc1	756890431	WZWYGMLJNQBLGJ-CYBMUJFWSA-N	321.355	3.893	50	20	DHGD	
COc1cc(Cl)c(/C=C(/C#N)c2ccncn2)cc1Cl	758911552	JRPBZSYAMWMRQV-WMZJFQQLSA-N	306.152	3.856	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)[C@H](Br)C(C)(C)C	768429432	BJLXWNOPQDFMBS-NSHDSACASA-N	315.211	3.609	50	20	DHGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNc1ccc(F)cc1	775765690	LHGBKFGPTTYJHX-GFCCVEGCSA-N	319.384	3.778	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)c1ccc(OC(F)F)cc1	776259672	OKPUKDUDRUYFOQ-LCYFTJDESA-N	315.275	3.783	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	776268907	WCMBIHNGKQJUMV-GHXNOFRVSA-N	318.279	3.683	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccccc1OC(F)(F)F	779208789	NDHOUFODBDBULP-MNOVXSKESA-N	316.323	3.855	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cccc(OC(F)F)c1	779773941	QKABEGWLRFQFKX-LLVKDONJSA-N	310.344	3.974	50	20	DHGD	
CC(C)(C)c1ccccc1NC(=O)NNc1ncncc1Cl	782007160	WRGBCYDRTVFDAO-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCCOC1CCCCCC1	785365289	LGTSGYRRWXUKTB-SAPNQHFASA-N	313.397	3.876	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C1(CC(C)C)CCCC1	788184940	RLRIKCVZOQJVBJ-UHFFFAOYSA-N	308.397	3.884	50	20	DHGD	
CC(C)n1nccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791723678	XPTZFVBITUHCRU-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CC[C@@H](C)CC[C@@H](O)CC(=O)NNc1cccc2c1CCCC2	793711947	OXSXAAXUUCDOCK-GDBMZVCRSA-N	318.461	3.586	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]2CCCC[C@H]21	794742791	UHNQTAYCSOSIHQ-MGPQQGTHSA-N	317.389	3.644	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	802050950	OOIVGYOLNGWJKW-ZHACJKMWSA-N	309.797	3.548	50	20	DHGD	
O=C(CCSc1ccc(Cl)cc1)NCC(Cl)Cl	808129678	WORJPWWEFBPOAV-UHFFFAOYSA-N	312.649	3.742	50	20	DHGD	
C[C@H](CN1CCCCC1)NCc1ccc(OCCCCl)cc1	811473739	KONFMQOAAOTBLA-MRXNPFEDSA-N	324.896	3.658	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)cc2C)cc1	817890062	RABBIRQFBIMABX-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
CCC1(C(=O)NNc2ncnc(Cl)c2C(C)C)CCCC1	840546773	ASUUUXOJRRNFFM-UHFFFAOYSA-N	310.829	3.667	50	20	DHGD	
Cc1cccc(OCC(=O)NN=Cc2ccccc2C(C)C)c1	848400932	RHSBDKLLCCRXJC-UHFFFAOYSA-N	310.397	3.648	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccccc2C(C)C)c1	857831206	LNUCQVBFTAVUQU-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CCO[C@H](C(=O)NNc1ccccc1Cc1ccccc1)C1CC1	862128753	IXCRWCUNWAYNER-IBGZPJMESA-N	324.424	3.536	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1cccc(F)c1Cl	862507425	DMNFNKDXEDETHR-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2C1	916142048	AIBQBMJGVVRTOU-QGMBQPNBSA-N	305.337	3.518	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCCCC2CCCCC2)c1	916517479	XBCRRCUIFCNSKA-UHFFFAOYSA-N	300.406	3.545	50	20	DHGD	
CCCn1cccc1C=NNC(=O)c1ccc2ccccc2c1	918152733	OGSIARGKKYLQGQ-UHFFFAOYSA-N	305.381	3.815	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc3c(c2)CCC3)cc1	1116146085	WDRBFJWJKBUVRD-UHFFFAOYSA-N	324.449	3.726	50	20	DHGD	
CCS[C@@H]1CCCCN(C(=O)C2CCC(Cl)CC2)C1	1123658567	PAAZWGKPFHWEDC-JXQTWKCFSA-N	303.899	3.918	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCC[C@H]1c1cc[nH]n1	1262624411	GLVCMHSPOREMAR-HNNXBMFYSA-N	303.793	3.516	50	20	DHGD	
CCCN(N=Cc1ccc(N)cc1Cl)C(=O)OC(C)(C)C	1324797781	LISDIPDDVFVXPO-UHFFFAOYSA-N	311.813	3.903	50	20	DHGD	
CCN(CCc1ccccn1)C(=O)c1cccc(CCl)c1	1336304816	YRWSCCZYHKMGAE-UHFFFAOYSA-N	302.805	3.525	50	20	DHGD	
O=C(Nc1cccc(CSc2ccccn2)c1)[C@H](F)Cl	2088605873	VMTVYPWKBICTPM-ZDUSSCGKSA-N	310.781	3.847	50	20	DHGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1	3570262	XGKZSTDOKMDXPK-NTMALXAHSA-N	302.255	3.650	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1F	8198734	REWKLKUGOKFLBX-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	124075756	NHPRUSDRUZLUEH-UHFFFAOYSA-N	315.392	3.819	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(C(F)(F)F)nn1	124484629	CCAUCQWSUZSXGR-SNVBAGLBSA-N	318.343	3.545	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2coc(-c3ccccc3)n2)c1	127175256	MIWFNXQTJMDDGI-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
COc1ccncc1NC(=O)CCCC[C@H]1CCSS1	132873307	ZPKIJOOKKXROOW-NSHDSACASA-N	312.460	3.743	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ncoc2-c2ccccc2)c1	159277650	OFBAXKBIGVMNAR-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
CCc1nc([C@@H](C)NC(=O)NNc2ccccc2Cl)cs1	171780810	XVSNFXYZCIZXMH-SECBINFHSA-N	324.837	3.746	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(C2CCC2)cc1	190335919	DYHVDAKDQNAYCK-UHFFFAOYSA-N	311.341	3.619	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	191760133	FITHSWBHWDXUAP-WUXMJOGZSA-N	324.452	3.561	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)s2)c(C)c1	255521540	CGOLQEBPUMYQLR-JYRVWZFOSA-N	307.378	3.782	50	20	DHGD	
CC[C@@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CCO1	272629135	AVYGLMLEENBZMN-MWLCHTKSSA-N	317.216	3.642	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(C)cc(C)nc1Cl	281708360	HOMHWEJLCWPVNQ-UHFFFAOYSA-N	317.820	3.980	50	20	DHGD	
CS[C@@H]1CCCCN(C[C@@H](CBr)C2CC2)C1	701861162	ABGAUYRFJINUQS-CHWSQXEVSA-N	306.313	3.625	50	20	DHGD	
O=C(CCC1CCCCC1)NNC(=O)c1cc2ccccc2o1	727347885	AABBRRKEYZQGIU-UHFFFAOYSA-N	314.385	3.554	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	727689453	QBQHSTWIKPEKIJ-OWSLCNJRSA-N	310.441	3.938	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1oc(C(C)C)nc1C#N	733953457	LIKDIRDSKZVYNJ-ZDUSSCGKSA-N	318.421	3.719	50	20	DHGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNc1c(F)cccc1F	735760053	JYMKWIJNLBBZPX-HNNXBMFYSA-N	317.339	3.587	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ncccc1C(F)(F)F	740097765	QGVZITLKEJWAGN-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)c1	742350136	QVFGTLUHNUFYCX-LICLKQGHSA-N	307.349	3.631	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1Cc2ccccc21	752808274	SDJUBQHFNNCOSR-GFCCVEGCSA-N	307.180	3.776	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2ccccc2[N+](=O)[O-])CC1	753278808	PLNKTRWIBGDLQY-JOCQHMNTSA-N	305.378	3.500	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@@]2(C)CCCS2)c(C)c1	758863254	WZVMSQFTXVTNTK-MRXNPFEDSA-N	307.463	3.524	50	20	DHGD	
O=C(CC(F)(F)F)NN=Cc1ccc(F)c(Cl)c1Cl	761783499	ZQWZUFJDYBZFQV-UHFFFAOYSA-N	317.069	3.535	50	20	DHGD	
Cc1cccc2c1CCN2/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	764325464	GUAPBCZNOSFPBA-MFOYZWKCSA-N	305.337	3.830	50	20	DHGD	
Cc1cccc2c1CCN2/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	764325466	GUAPBCZNOSFPBA-RQZCQDPDSA-N	305.337	3.830	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(O)c(Cl)c1	769586558	QWHFMVGZXVENFO-MNOVXSKESA-N	308.809	3.978	50	20	DHGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1c(F)cccc1Cl	770203830	TZBOFVIGCFLORO-GXFFZTMASA-N	314.788	3.518	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc(-c2ccccc2)no1	770344450	LFXFVKGWERATSM-JTQLQIEISA-N	324.174	3.529	50	20	DHGD	
Cc1ccc2cccc(C(=O)OC[C@H](C)CBr)c2n1	770384920	NRTRPVNZUQOABX-SNVBAGLBSA-N	322.202	3.731	50	20	DHGD	
CCCCC1CCC(C(=O)NNc2ccc(OC)cn2)CC1	781527042	PNGUXEJTYQRTQC-UHFFFAOYSA-N	305.422	3.530	50	20	DHGD	
Cc1cc(C#N)ccc1COC(=O)/C(C#N)=C/c1ccccc1	785379720	YXSRDMAUDUBYCW-VCHYOVAHSA-N	302.333	3.517	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCC1CCC(C(F)(F)F)CC1	786678831	VDNSUAOGUDMUCX-GHXNOFRVSA-N	301.308	3.758	50	20	DHGD	
CSSCCNC(=O)c1ccc(-c2ccc(F)cc2)n1C	791154967	JSUUOKCPIZCNPK-UHFFFAOYSA-N	324.446	3.572	50	20	DHGD	
CCCc1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)co1	791722902	ODFOVWLJTBLKNE-UHFFFAOYSA-N	314.172	3.691	50	20	DHGD	
O=C(NN=Cc1ccc2occc2c1)c1cc2c(s1)CCC2	794873457	QGFRRIOQEGESHO-UHFFFAOYSA-N	310.378	3.747	50	20	DHGD	
Cc1ccc2c(C(=O)NNc3ccnc(F)c3)csc2c1	795246811	RHRYRXBPWJTSLN-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CCOc1c(Cl)cccc1CC(=O)N(C)CC(Cl)Cl	808248522	MVQBZJQNRNBDSM-UHFFFAOYSA-N	324.635	3.543	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H]1CN1CCCC1	808719365	WVJLOJRDAAYNLD-INIZCTEOSA-N	312.574	3.568	50	20	DHGD	
Cc1nn(C)cc1[C@@H]1CCCN1CCO[Si](C)(C)C(C)(C)C	808734395	VMHPCIMDQNVINS-INIZCTEOSA-N	323.557	3.887	50	20	DHGD	
O=C(NN=CC1=Cc2ccccc2OC1)c1cccc(Cl)c1	812398129	WDVQBOCHLKGRSB-UHFFFAOYSA-N	312.756	3.532	50	20	DHGD	
CC(C)c1ccc(CNC(=O)NNc2cccc(Cl)n2)cc1	814286849	IPEZJVWSGXQKEO-UHFFFAOYSA-N	318.808	3.685	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cc(F)cc(Cl)c2)cc1	814997868	JJKZQGXYEBDBCJ-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2c([nH]1)CCCC2	824209911	ZLFDHEOBDAGZTG-UHFFFAOYSA-N	323.318	3.669	50	20	DHGD	
CCSCc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1	836741782	RNJUOJMOHAMCCF-UHFFFAOYSA-N	323.462	3.529	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823286	RMWIZAMGQMQXSR-OTYXRUKQSA-N	311.769	3.518	50	20	DHGD	
COC(=O)c1ccc(NNC(=O)[C@H](C)CCC(C)(C)C)cc1F	837059459	VJVLWOFDNSBVBH-LLVKDONJSA-N	324.396	3.518	50	20	DHGD	
COC1([C@H](C)NC(=O)CCCC[C@H]2CCSS2)CCC1	839875601	MUUVHOANDPUPSQ-STQMWFEESA-N	317.520	3.774	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(F)c1	849177996	FCNUZNDNRCSLQB-MDWZMJQESA-N	303.333	3.525	50	20	DHGD	
CCCc1sc(C(=O)NNc2ccc(F)cn2)cc1CC	874652183	WYZMWVUEKPOJRR-UHFFFAOYSA-N	307.394	3.554	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2cccc(Cl)c2)cc1C	913087391	OSWWWGNHAQUXNF-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
O=C(NC[C@H]1CCCc2ccccc21)NNc1ccc(F)cc1	916568632	VLTXZDUOGGNMND-CQSZACIVSA-N	313.376	3.572	50	20	DHGD	
O=C(NCCc1cccs1)NN=Cc1ccc2ccccc2c1	920831569	RKPBCHBYYNREHY-UHFFFAOYSA-N	323.421	3.777	50	20	DHGD	
CCc1ccc([C@@H](c2cccnc2)N(CC)C(=O)CCl)cc1	1116437440	CRNHYDURSCNJAH-SFHVURJKSA-N	316.832	3.821	50	20	DHGD	
CCc1ccc2nc([C@@H]3CC[C@@H](Br)C3)nc(O)c2c1	1116796986	LMONHOXTMIORKP-GHMZBOCLSA-N	321.218	3.929	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2oc3ccccc3c2C)cc1	1317705081	DZXYIAHMSTVGMT-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2ccc(F)cc2C)c1C	152690807	BYYYIHDIBYCJPV-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCOC2(CCCCC2)C1	175454787	VAFRMSUYJXPHPF-IUXPMGMMSA-N	300.377	3.725	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2c(s1)CCCC2	181100946	FFRAUEBDYNMOJT-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1ccc(C(C)(C)C)cc1	187868229	VSXQJXKYPRQVBK-UHFFFAOYSA-N	304.434	3.823	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	193289301	ADXCPCJPUXWKHK-FBJMNJBLSA-N	318.417	3.563	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(F)ccc2F)cc1	207699015	AXPIHLYZAZQXHL-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
CN(Cc1nc2ccccc2n1C)/C(=C\C#N)c1ccc(F)cc1	255572910	MQRBDTQZYZCSCX-BOPFTXTBSA-N	320.371	3.709	50	20	DHGD	
O=C(/C=C\c1cccc(F)c1)NNc1cccc2c1CCCC2	255588319	AALPRVJCAUDTBJ-QXMHVHEDSA-N	310.372	3.861	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cncc(Br)c1	280859284	CBHPUUBWGBMRGQ-WZUFQYTHSA-N	307.191	3.756	50	20	DHGD	
CN(NC(=O)c1cc(Cl)cc2cccnc12)c1ccccc1	726981673	ZUSUJMGGKRWWGJ-UHFFFAOYSA-N	311.772	3.669	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)c1ccc2ccccc2n1	729631573	JVACKRQHRILLPI-UHFFFAOYSA-N	309.394	3.645	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cnc(C2CC2)s1	729652583	YSRNKZUZYFYPMD-UHFFFAOYSA-N	318.354	3.765	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1cc(F)ccc1O)c1ccccc1	731930887	QWSGPFLSSIQNLQ-HNNXBMFYSA-N	314.360	3.565	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccc3ccccc3n2)o1	732762559	JPWHWVVAMCRVEF-IUODEOHRSA-N	319.364	3.715	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)c1cccc(Cl)c1	744728928	KHCCKPBQHXITBO-UHFFFAOYSA-N	316.788	3.811	50	20	DHGD	
N#Cc1csc(C=NNC(=O)c2ccc3ccccc3c2)c1	748075888	MOVGSTKRFAAPKQ-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc2[nH]ccc12	750236733	RSXLAZXJYWXWGM-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)c1ccc(COc2ccccc2)o1	755582362	WWMTVWWDNBHQAB-CYBMUJFWSA-N	300.358	3.620	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1cc2ccccc2o1	755759415	XWCQQUWJDSCBQG-HOTGVXAUSA-N	304.349	3.952	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756781068	KTVBBMMRHIXUJK-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cnn(-c2ccccc2)c1	769583423	BVKRWMAZKLTPKE-HUUCEWRRSA-N	324.428	3.804	50	20	DHGD	
CC[C@@H](CSC)NC(=O)NNc1ccc(Cl)cc1Cl	775458533	KZHCKDUIRFWWMA-VIFPVBQESA-N	322.261	3.761	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(C#N)c(F)c1	776768111	IOLWLILLDFEGEW-UHFFFAOYSA-N	323.371	3.560	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)[C@H](C)CC	777884704	RMIKKDMCNDNEMN-GMCKNXKJSA-N	301.773	3.874	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)c1	786106708	PUGRZCMGFOKORW-BYNYNQLESA-N	320.392	3.935	50	20	DHGD	
COc1ccc2nc(/C=C(\C#N)C(=O)C(C)(C)C)sc2c1	788687313	FUTLGXTUXMLZBQ-JXMROGBWSA-N	300.383	3.827	50	20	DHGD	
COC(=O)NN=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1	788938110	AJLIFLJDAJSLAO-LLVKDONJSA-N	300.280	3.685	50	20	DHGD	
CSSCCNC(=O)N1CC(C)(C)[C@@H]1c1ccccc1	790880037	GPFCLKWNDMPLDH-ZDUSSCGKSA-N	310.488	3.790	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](c2ccccc2)C[C@H]1C	790880667	WDECEHUYEYPGHB-TZMCWYRMSA-N	310.488	3.585	50	20	DHGD	
C=C(CBr)CN1CCS[C@H](c2ccccc2)C1	791460055	GJRHDDUYVLOIRO-AWEZNQCLSA-N	312.276	3.728	50	20	DHGD	
CC1(CCNC(=O)NNc2ccccc2C(F)(F)F)CC1	792195376	FTSIMFKHBZAQCQ-UHFFFAOYSA-N	301.312	3.522	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc(C2CC2)cnc1Cl	793710033	ZQPRSYZDZPRWFX-UHFFFAOYSA-N	323.730	3.648	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccccn2)c(Br)c1	794686524	BZWWOYIUESDXCO-XYOKQWHBSA-N	315.170	3.917	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccnc(F)c1	794895159	DQZXEHTWTMPQNU-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(C#N)c2)cc(C)c1Cl	799518038	YHVLBDNLDBEXMJ-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
O=C(O)Cc1ccc(C(=O)/C=C/c2cccc(CCl)c2)cc1	799891802	ULENFNYLNMPYAM-RMKNXTFCSA-N	314.768	3.949	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C[C@@H]1CC[C@@H](C)C1	800816524	MMNPYWOASCZKAY-FRRDWIJNSA-N	308.809	3.646	50	20	DHGD	
Cc1ccnc2ccc(C(=O)NNc3ccc(F)cc3F)cc12	802827130	WCKHMWGWCYFEQR-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(CC(F)F)c2)cc1C	814182911	OJIRCSNGAHXORK-UUASQNMZSA-N	315.323	3.555	50	20	DHGD	
O=C(CSc1ccccc1O)NN=C1CCCCCCC1	814970872	HEZRLLRSVPBIQI-UHFFFAOYSA-N	306.431	3.701	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H](C)c1cccc(Cl)c1	816338526	NHHMKRFRKRKWET-JTQLQIEISA-N	322.767	3.735	50	20	DHGD	
CCOc1ccc(NNC(=O)c2c(F)cccc2SC)cc1	817920774	AMABUGOVBFPOQG-UHFFFAOYSA-N	320.389	3.703	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ccccc1C)CCC2	846800203	IMSAPLFLHSDOFB-MRXNPFEDSA-N	310.397	3.567	50	20	DHGD	
COc1ccc([C@@H](C)NC[C@@H](CBr)C2CC2)cc1	859225776	FBZKMUPSWLUBHB-BXUZGUMPSA-N	312.251	3.767	50	20	DHGD	
CC(C)c1ccc(/C=C/CC(=O)NN[C@H](C)C(F)(F)F)cc1	862315956	IBNQPVMCTMLXFI-ZYOFXKKJSA-N	314.351	3.785	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cc2c(s1)CCOC2	885125516	SKYUBRAHQDPGFG-UHFFFAOYSA-N	322.817	3.540	50	20	DHGD	
FS(F)(F)(F)(F)c1cccc(CNC[C@@H]2COCO2)c1	894886400	CORJAZHVBTZLNU-SNVBAGLBSA-N	319.295	3.807	50	20	DHGD	
C[C@@]1(C(=O)N2CCC(c3ccccc3)CC2)C[C@@H]1Br	905778837	TZRPUEQKCNXKRU-GOEBONIOSA-N	322.246	3.566	50	20	DHGD	
CCn1cc(C=NNC(=O)c2ccccc2C)c2ccccc21	915049823	UJQOCZZKDBXQPG-UHFFFAOYSA-N	305.381	3.734	50	20	DHGD	
C[C@@H]1[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CCC[C@H]1C	916650321	CQHBQHZYURFEKN-RVEUJFNVSA-N	300.377	3.674	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)CNc1ccccc1	917533299	GFJRCHFUHLKYIO-UHFFFAOYSA-N	323.440	3.860	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)NCC(F)(F)F)c1ccccc1	917550919	DSYXUHIBBWYHPA-UHFFFAOYSA-N	315.339	3.688	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(OCC(C)C)cc1	917551161	OQFSPAGTISLPGO-UHFFFAOYSA-N	316.323	3.514	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1	1319204754	ZRAPWEBHRUWWML-WQRHYEAKSA-N	319.360	3.880	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2coc3ccccc23)cc1	1319376266	UZPYASFXOCFLCL-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
Cc1nc(COC(=O)[C@H](Br)C(C)(C)C)c(C)s1	1321209315	XWIORKQDAYJIRS-JTQLQIEISA-N	320.252	3.613	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1csc2ccccc12	1334089444	MSVDIGZJXDSZRG-AWPPVZKDSA-N	300.383	3.522	50	20	DHGD	
CC(=O)Nc1c(C)ccc(NC(=O)C2CCC(Cl)CC2)c1C	1346369193	LKEQBWLYEIJHBC-UHFFFAOYSA-N	322.836	3.998	50	20	DHGD	
CC1(C)CN(C(=O)C2CCC(Cl)CC2)[C@@H]1c1ccncc1	1347010071	XESSUORQGHZCPX-YMAMQOFZSA-N	306.837	3.789	50	20	DHGD	
Cc1cc(C)cc(N(C)C(=O)c2c(C)nn(CCCl)c2C)c1	74048653	YMJLWDGEIZVSOP-UHFFFAOYSA-N	319.836	3.632	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)c2c(C)nn(CCCl)c2C)cc1	74434021	FIZLUYRDPWZXPA-GFCCVEGCSA-N	319.836	3.538	50	20	DHGD	
C[C@@H](c1ccc(F)c(F)c1)N(C)C[C@@H](C)CBr	133551235	QTAOMHDMFFUJRC-UWVGGRQHSA-N	306.194	3.989	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1F)c1nnc2n1CCCCC2	152139343	BXQBUTPDOJTYNV-WQLSENKSSA-N	316.767	3.861	50	20	DHGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1ccccc1F	153219783	GJDDNCPLIUQBSN-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1cccc(F)c1	170699884	KMWIVIDSXUWFAW-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1ccccn1)c1ccc(-c2ccc(F)cc2)s1	181237490	PGZAHGLNSHDRRQ-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
Cc1nc(Cl)ccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	192515570	WFPOUQJVTJYHLK-WQLSENKSSA-N	315.735	3.728	50	20	DHGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)NCCC)cc1	217116375	FRXPVBREPUEXSR-SSZFMOIBSA-N	300.402	3.689	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)c1nc2ccccc2[nH]1	255267991	UHSNRXUIAIDSFX-RVDMUPIBSA-N	315.380	3.622	50	20	DHGD	
CC(C)(C)OC(=O)C1CCN(/C(=C/C#N)c2ccccc2)CC1	267521101	USJIWCWJBKXIRF-RQZCQDPDSA-N	312.413	3.605	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c2ccccc12	280108898	VHPXPRVYAVSPAW-KFXIKWRMSA-N	321.376	3.751	50	20	DHGD	
CSSCCNC(=O)c1ccccc1SC(C)C	284193013	STMLFKIHUJNAPN-UHFFFAOYSA-N	301.502	3.928	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(COCCOC)cc1	289954349	POLBKKKIWIUVFU-PDGQHHTCSA-N	315.413	3.762	50	20	DHGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)C(C)(F)F	293498193	MAHMPXXRSHSXIF-ZCFIWIBFSA-N	314.229	3.579	50	20	DHGD	
Cc1ccnc(CNC(=O)CCCC[C@@H]2CCSS2)c1	294219943	RIQQKODVXNSEPJ-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
CCOc1ccc(NNC(=O)c2scnc2C(C)(C)C)cc1	294492219	XBPDKULVCNHHEY-UHFFFAOYSA-N	319.430	3.596	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1C#N	491177229	VFVVSLLWFHLAEL-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
CCCN(N=Cc1ccc(OC)c(C#N)c1)C(=O)OC(C)(C)C	495745839	MCVJBUUJIRSUMJ-UHFFFAOYSA-N	317.389	3.548	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(F)nc2)c(C)c1	588523635	JLXIIAZRWOYNFJ-OVCLIPMQSA-N	309.344	3.692	50	20	DHGD	
CCC(=O)NN=Cc1ccc(-c2cccc(Br)c2)o1	725721019	YIORDZVVYOZJTF-UHFFFAOYSA-N	321.174	3.569	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)CSC(C)(C)C)cc1	729637007	FWULXUBXQCRKHP-UHFFFAOYSA-N	322.474	3.652	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cnnc2ccccc12	734092365	LPFRDUVWSSIYCB-AWEZNQCLSA-N	312.417	3.679	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1c[nH]cc1-c1ccccc1	735697879	NWXZASAWXWHYBJ-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)COCc1ccccc1	737433454	GJBNSIWIILEKRZ-INIZCTEOSA-N	302.418	3.666	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cccc3c2OCCCO3)sc1C	741467016	JBIKXRXNSODBNY-NTEUORMPSA-N	312.394	3.985	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCCc2c(O)cccc21	743438501	UXMIZIVLQLYVGY-UHFFFAOYSA-N	309.369	3.563	50	20	DHGD	
CC(C)c1ccc2cc(C(=O)NNc3ccc(C#N)cc3)[nH]c2c1	748106448	QYVIJTKAPDQQQT-UHFFFAOYSA-N	318.380	3.920	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc2cc(F)ccc2[nH]1	748773229	DXPCXIIDWIMJLL-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCC1CCC1	749531369	RJRQNGBFNSUZMY-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1ccc(O)cc1	753922467	RTTRGMHWVLWHTO-UHFFFAOYSA-N	314.772	3.709	50	20	DHGD	
CCCCC[C@@H](C(=O)NNC(=O)NC1CCCCC1)C(C)C	755035912	JSFXTYFNUBJVBL-OAHLLOKOSA-N	311.470	3.502	50	20	DHGD	
COc1ccccc1CC(=O)NN=CC[C@@H](C)c1ccccc1	755660648	IIGBELAEOUBIRP-OAHLLOKOSA-N	310.397	3.534	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	756872462	JWKKQZAWYZQPLR-ZDUSSCGKSA-N	321.355	3.893	50	20	DHGD	
CC[C@@H]1CC[C@H](C(=O)NN(c2ccccc2)c2ccccc2)O1	756906864	BIHXTSAFTYQOCX-QZTJIDSGSA-N	310.397	3.814	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2cccc(C(F)(F)F)c2)C1	759195835	IUNKOEKEACRATQ-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	765996237	UXCKOXDEWQTOIN-QLFBSQMISA-N	324.428	3.679	50	20	DHGD	
N#C/C(=C/c1cncc(Br)c1)C(=O)C1CCCC1	767351682	IIMYVNQPEJGBAI-XGICHPGQSA-N	305.175	3.510	50	20	DHGD	
Cc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)c2[nH]ncc12	767921178	VWEIYAFRZPENFC-GFCCVEGCSA-N	324.222	3.619	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(\C#N)C(=O)c1cccc(Cl)c1	780153689	RHVHFMRPPYRZTJ-UXBLZVDNSA-N	306.152	3.517	50	20	DHGD	
CCC1(CC)CCC(NC(=O)NNC(=O)CC(C)(C)C)CC1	788905856	UOVLDNRTVMMJBK-UHFFFAOYSA-N	311.470	3.502	50	20	DHGD	
CC(C)NC(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	789001086	WLLRYTWOFSJGGT-UHFFFAOYSA-N	322.821	3.505	50	20	DHGD	
Cc1cccc(-c2cncc(C(=O)NNc3ncccc3C)c2)c1	791220349	GCGZUDMTGYFBDY-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(OC)cc1)C1CC1	791442903	ZRMUMCRLSKZUNY-UHFFFAOYSA-N	310.235	3.611	50	20	DHGD	
C=C(CBr)CN1CCc2cc(OCCC)ccc2C1	791483479	QLQSKBSNPVNJRJ-UHFFFAOYSA-N	324.262	3.785	50	20	DHGD	
C=C(CBr)CN[C@@H](C)c1ccc(C)c([N+](=O)[O-])c1	791492394	JLPSQCQEAZPSSS-NSHDSACASA-N	313.195	3.505	50	20	DHGD	
CN(Cc1ccncc1)Cc1ccc(OCCCCl)cc1	798186279	GDHDMKHHKOKYDN-UHFFFAOYSA-N	304.821	3.721	50	20	DHGD	
C#CCC1(C(=O)NN(CCC)C(=O)OC(C)(C)C)CCCCC1	804595583	FNCXFWBBSMQQBV-UHFFFAOYSA-N	322.449	3.639	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](C)C[C@@H]1c1ccccc1	805472657	FWRPFRZUGSHEHG-TZMCWYRMSA-N	310.488	3.790	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1=CCOCC1	808077964	KCUZFYAIDNRLCM-UHFFFAOYSA-N	316.426	3.670	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1C	810197764	UWUDHEASYTYRMW-VSALAYTFSA-N	312.413	3.606	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccco1	814916622	KAOJJOZWYWVPJT-LLVKDONJSA-N	320.776	3.631	50	20	DHGD	
CCCCCOc1cc(C=NNC(=O)CC2CC2)ccc1OC	814987697	ZGGHJCXRBAGMBR-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1csc(C2CC2)n1	836935208	VFKGZGKSTHXRLL-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(F)(F)F)cn2)cc1	837055100	AMTXKOGWPDUONM-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
COC1([C@H](C)NC(=O)CCCC[C@@H]2CCSS2)CCC1	839875599	MUUVHOANDPUPSQ-QWHCGFSZSA-N	317.520	3.774	50	20	DHGD	
O=C(/C=C/C1CCCC1)NNc1ccccc1Br	843830712	JURXVWNLRJPTRF-MDZDMXLPSA-N	309.207	3.639	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H](OC2CCC2)C1	847039538	ZDKRWDLKFMEJOM-PGLQMZEQSA-N	300.377	3.724	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2cc(F)cc(Cl)c2)C1	855619928	HRSDQKWTAFNTBD-HZMBPMFUSA-N	314.788	3.518	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1cccnc1Cl	857082544	OAJYOEWZIARLJM-PTOFAABTSA-N	303.631	3.559	50	20	DHGD	
CC(C)c1nocc1C(=O)NNc1ccccc1C(F)(F)F	858279264	WQZNCIUAFPUDMJ-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	885127304	QHDHQXWWKQRDLN-DGCLKSJQSA-N	322.836	3.733	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2ccc3ccccc3n2)C1	901118770	IVRUUFZUDNAIBV-CQSZACIVSA-N	313.426	3.626	50	20	DHGD	
CCO[C@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	915273395	HEPLSOZCWUATPV-ZCFIWIBFSA-N	311.596	3.515	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc(C)o1	916346035	SRAXFWVJLFOUBK-UHFFFAOYSA-N	302.399	3.529	50	20	DHGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccc(C)s1	917027230	ZEOMYBSWBITIBS-UHFFFAOYSA-N	322.817	3.629	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)[nH]1	917574006	DLIORNWFBPQDDF-SNVBAGLBSA-N	315.442	3.582	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CC[C@@H]2CCCC[C@H]2C1	920376422	SOIYVSLQFCVFNB-GJZGRUSLSA-N	314.429	3.700	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(OCC(F)(F)F)cc1	920479368	MPDUPQPGECJKMB-UHFFFAOYSA-N	316.323	3.514	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(C(C)(C)C)nn1	1318683129	POJNSJSWEOXEOC-ZDUSSCGKSA-N	306.454	3.824	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)c1ccc2c(c1)OCO2	1323252039	HSOMFMSQXRFFJL-MFOYZWKCSA-N	317.344	3.694	50	20	DHGD	
Nc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1Cl	1324367826	JIFNVYFVAYGIHN-UHFFFAOYSA-N	323.783	3.839	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccn1C1CC1)c1ccccc1	1327375934	PKDQJZIXPUBNQI-XCTGESOMSA-N	319.408	3.997	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C2(C(=O)O)CCCCCC2)cc1	1588968901	TZQUXQYMESPXMB-UHFFFAOYSA-N	318.417	3.678	50	20	DHGD	
CCCCC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	1776035981	SWSLJAYXQZZSQW-UHFFFAOYSA-N	324.380	3.692	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(/C=C/C(=O)O)o2)c1C	1777443719	NGTAKBOXKMLHGE-ANVLWLQNSA-N	321.332	3.784	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(c2ccc(F)cc2)CCC1	42678380	RIQBHNQXDCIWSS-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(Br)cc2)c1C	48425740	SELWKZRXVYYZPX-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc([N+](=O)[O-])c2)cc1	53102353	XQWCFFLTLLMTOK-WUXMJOGZSA-N	313.338	3.510	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)nc1	122170055	ODKONFNFHBYTNR-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1	127776504	JJPNVFDIUZNPOX-RYUDHWBXSA-N	304.390	3.751	50	20	DHGD	
CC[C@@H](C(=O)NNc1ncccc1Cl)c1ccc(F)cc1	131207177	NSIJWWYBIPYHFS-GFCCVEGCSA-N	307.756	3.511	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1ccc(C(F)(F)F)cn1	131836599	MCAGLYZKPWKWLW-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
C[C@H](CSCc1ccccc1)C(=O)NNc1ccccc1F	153077517	KBYDFVZMTGCANY-CYBMUJFWSA-N	318.417	3.838	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccncc1Cl	154487435	ZSUFKGIEGIFZDB-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(c2cccc(F)c2)CCC1	161016177	PKOGQIBVJMJXHU-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1ccccc1Cl	172049911	CKEREVRQTATFGP-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
COc1cc(SC)ccc1NC(=O)NNc1ccccc1F	192680327	ZLBFAONJIQCMFF-UHFFFAOYSA-N	321.377	3.705	50	20	DHGD	
CCCCOc1ccc(C(=O)N2CC=C(C#N)CC2)c(Cl)c1	274696657	MRFZMPMBYSCJLW-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
CCS[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(F)cc1	588431096	QRLNXQAQRMSSSZ-LSALWYQZSA-N	318.417	3.523	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1cccc(F)c1	588598523	IFDQIRTXCMFEID-RAXLEYEMSA-N	311.312	3.633	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)C[C@H]1C[C@@H](C)CC(C)(C)C1	727366522	KZLLTCPLJVUFGI-UKRRQHHQSA-N	316.445	3.609	50	20	DHGD	
Cc1c(C(=O)NNc2c(F)cccc2F)oc2ccc(F)cc12	735697849	LKUKVZZZYVEOGY-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
C[C@@H](CNC(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	735756183	BPZYXNFJPLPLAI-JTQLQIEISA-N	323.318	3.534	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C1CC1	741162102	UJTGZJYVLUMNLU-CYBMUJFWSA-N	310.397	3.899	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc2cc[nH]c12	743412618	NTVSGSNHGHXCSB-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
Cc1cc(OC(=O)c2cccc(F)c2Cl)ccc1[N+](=O)[O-]	744037594	YVOZUCDFWWWKSY-UHFFFAOYSA-N	309.680	3.915	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2ccc(Cl)c(F)c2)cc1C	746699087	WPGAHOTXNRUXJX-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
COc1ccc(NNC(=O)C[C@H](c2ccccc2)C(C)C)cc1	746882062	GSXJJLRLYIASTL-SFHVURJKSA-N	312.413	3.968	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccc(Br)c2)C[C@H](C)C1	747763126	AIAGQNFVGQTVDG-GHMZBOCLSA-N	323.234	3.991	50	20	DHGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1cccc(Cl)c1	748291357	UHHYMAVTLXABGW-AWEZNQCLSA-N	322.767	3.780	50	20	DHGD	
CN1CCN(/C(=C\C#N)c2ccc(F)cc2)Cc2ccccc21	750609721	JFHBHFFGQLAMTE-GRSHGNNSSA-N	307.372	3.642	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)CC(F)(F)F)CCC2	760248880	AMKAAYQCCMFCDR-UHFFFAOYSA-N	312.335	3.919	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768327615	GYRZJCHNEFJAFY-UHFFFAOYSA-N	323.393	3.653	50	20	DHGD	
N#C/C(=C/c1nc2c(s1)CCCC2)C(=O)c1cccc(F)c1	773171515	MZUGCJTVJOEEOW-XFXZXTDPSA-N	312.369	3.951	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)Nc1cccc(F)c1	776968808	ZFONHGMOIBWNFR-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cc(Cl)cs2)c1	780375809	ZVNRCIZTBMUKFM-AWNIVKPZSA-N	316.813	3.933	50	20	DHGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)CC1CCCC1	782224244	IBTQIWGYWYHMTE-UHFFFAOYSA-N	312.417	3.568	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	783705978	MVQSSWQZWZUJTJ-ATVHPVEESA-N	307.397	3.757	50	20	DHGD	
O=C(CCCc1ccc(O)c(F)c1)NNc1ccc(Cl)cc1	787999883	FBZMRMCFJRKABQ-UHFFFAOYSA-N	322.767	3.651	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1ccccc1Cl	790657531	UWFBNUIALVQYFW-SECBINFHSA-N	304.868	3.711	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NCCSSC	791152127	IYJDOODCKFFHER-GFCCVEGCSA-N	301.502	3.685	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccccc1SC(F)F	792209993	HRVXCCHNUZJMCU-UHFFFAOYSA-N	324.356	3.853	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])cn1	792907727	WPSODDACYJOVTD-MHWRWJLKSA-N	305.337	3.933	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCCN1c1ccccc1	799758018	TUZURXVXLRCVFK-SFHVURJKSA-N	323.440	3.670	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(C(F)(F)F)s1	803055271	XBCYHRMJDMULNA-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/C(C)=C\c1ccccc1OC(F)F	811686344	AZZPEGMFSVEWDY-SPEXVAAVSA-N	319.307	3.870	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c1	812244915	NKTDBBBDWJBWKH-ZROIWOOFSA-N	307.309	3.619	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1Cc2ccccc2O1	812768163	HTOONMBVPQWHOW-QGZVFWFLSA-N	310.397	3.565	50	20	DHGD	
Cc1sccc1C=NNC(=O)COc1ccc2ccccc2c1	814790506	OSKBJUPGDLIAOT-UHFFFAOYSA-N	324.405	3.739	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1cccc(C2CC2)c1	814823734	UDXLJVBESMVGSA-UHFFFAOYSA-N	303.365	3.590	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC12CCC2	816798510	OIOPMLDYVDIKEW-OBHPCNEJSA-N	312.388	3.770	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC(C2CCCCC2)C1	819005945	JDLKCQOOIUGFTP-MHWRWJLKSA-N	312.388	3.771	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc2oncc2c1)c1ccccc1	821028494	SRRCMRYLZQIBFZ-BPKVKKHESA-N	317.348	3.612	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)C(C)(C)F)c1OC(C)C	834448110	WLZJHWQHOMRGPT-LCYFTJDESA-N	305.349	3.707	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1cccc2cccnc12	842526202	NWAMKNBKTMRWMP-UHFFFAOYSA-N	303.312	3.530	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cccc(F)c1OC(F)F	849180220	ZUBHZKRVLYNSCE-TWGQIWQCSA-N	301.239	3.651	50	20	DHGD	
COCCCCCN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852523257	ZMEXBQDIIWKXMB-OAHLLOKOSA-N	301.547	3.899	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CC[C@@H]1CC1(Cl)Cl	854335822	JNHWNURVJXJHTB-GFCCVEGCSA-N	315.244	3.975	50	20	DHGD	
C/C(=C/C(=O)OC[C@H](C)CBr)c1cccs1	856982211	CRGOECXDDXBCMR-WPVMNKCKSA-N	303.221	3.726	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857387881	NZRUQNKEMQMYQO-GXTWGEPZSA-N	314.223	3.615	50	20	DHGD	
COc1ccccc1CC(C)=NNC(=O)c1ccccc1Cl	1328384182	HTVCCQGPLFQXMQ-UHFFFAOYSA-N	316.788	3.697	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(F)(F)c1ccc(Cl)cc1	1329915161	DQYIVXCSOOUOOL-UHFFFAOYSA-N	316.562	3.694	50	20	DHGD	
CCn1ccnc1[C@H]1CCCCN1C(=O)C1CCC(Cl)CC1	1352159815	PGZKBWBBRPZYAS-YMAMQOFZSA-N	323.868	3.754	50	20	DHGD	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)C1CCC(Cl)CC1	1521261214	OLVYPQIGVWFTKS-GRTSSRMGSA-N	309.837	3.579	50	20	DHGD	
CCCC[C@H](CC)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1595632770	QJKOTIFZTJQGPJ-NSHDSACASA-N	323.345	3.805	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)o1)C(=O)c1cc2ccccc2o1	1601046051	UGMGPYHHOMMTME-XFFZJAGNSA-N	307.261	3.514	50	20	DHGD	
O=C(NNc1cccc(C(=O)O)c1)Nc1cccc2ccccc12	1601559314	PDDTXGTZOYDYCG-UHFFFAOYSA-N	321.336	3.687	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/C=C1/N(C)c2ccccc2C1(C)C	7165698	CGHSEAPBFFDZMI-KFGDLTOCSA-N	323.440	3.664	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccoc1	16200509	SXBHBHPUPFVIRA-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
O=C(CCCc1ccccc1)NNC(=O)CCC1CCCCC1	66555545	XDLJBXFZUMXINJ-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
Cc1cc(NNC(=O)c2ccccc2C)ccc1Br	114889740	AYBHXMIIGDVGJY-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2cccc(Br)c2)c1	127199562	RWUJKNTZIUIBEE-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)c1ccc2c(c1)OCO2	127946877	NNWLDTGLQPVFSI-ZSOIEALJSA-N	317.300	3.951	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1	159210794	LAUOLAOCXIRGCT-UONOGXRCSA-N	300.427	3.920	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2F)cc1	172215151	NETJXEUETQARNH-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1	174053058	XEMIFWVSKLCFID-UZUMKDMXSA-N	320.392	3.617	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1Br	179773440	HGKLTHMGIZSJIZ-SDQBBNPISA-N	308.175	3.616	50	20	DHGD	
Cc1nc2ccccc2cc1C(=O)NNc1ccc(Cl)cc1	192471377	QTCTUNCONCTCPK-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1C	213359185	GDCRPORHGDSHSB-LGMDPLHJSA-N	316.360	3.553	50	20	DHGD	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	255940544	WSCVPLNFFRPIPJ-BGARDKSCSA-N	315.461	3.973	50	20	DHGD	
N#CC1=CCN(Cc2cc(Br)ccc2Cl)CC1	272617239	IEXUITQHYHKWOU-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1cccc(NC(C)=O)c1	294068311	ZRQAUMBUHSYMTF-CQSZACIVSA-N	305.422	3.695	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccc(Cl)c(F)c1	295126757	HOJPWIUDJAELGR-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
ClCCCOc1ccc(CN[C@H]2CCO[C@H](C3CC3)C2)cc1	367945153	UZBQVNIAEUQXPC-WMZOPIPTSA-N	323.864	3.742	50	20	DHGD	
CCOC(=O)[C@H](Br)c1ccc2sc(C)nc2c1	585163954	VCBWPAOURCXVDG-LLVKDONJSA-N	314.204	3.604	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)CCCc2ccccc2)cc1	727684752	LYICUKZNQYUOAK-UHFFFAOYSA-N	324.424	3.947	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1ccnc(N(C)C)c1	731561830	ZDCLICXIOUPODL-HNNXBMFYSA-N	316.449	3.636	50	20	DHGD	
CCC(C)(C)CCOC(=O)/C(C#N)=C/c1cccc(OC)c1	744340444	QOYMRWORHQEPGZ-RVDMUPIBSA-N	301.386	3.972	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)[C@@H](C)c2ccccc2)cc1	746369154	NQGGVXWVTKVAKJ-OAHLLOKOSA-N	324.424	3.924	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C[C@H]1C[C@H]2C=C[C@H]1C2	755567355	VQKJQTWUNHLVNR-MELADBBJSA-N	318.417	3.622	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)C(=O)c1c[nH]c2ccccc12	756264048	XPFDPNIDRLAUDO-RIYZIHGNSA-N	315.307	3.969	50	20	DHGD	
CCCSCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757422704	RMWYLFMLJXPPJR-UHFFFAOYSA-N	305.355	3.797	50	20	DHGD	
CCc1cccc(C)c1NC(=O)NNc1ncccc1Cl	769922708	APELNNPWHOTILX-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1C[C@@H]1c1ccc(F)cc1	777461737	RARPRRJSTGUCMF-CVEARBPZSA-N	321.355	3.621	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(Cl)c(C)c2)cc1	779758864	PZIAPIXQRUVCEJ-UHFFFAOYSA-N	315.804	3.519	50	20	DHGD	
CSCC[C@@H](C)NC(=O)NNc1ccc(C(C)(C)C)cc1	780834569	DDIUQSYJMBYPJJ-GFCCVEGCSA-N	309.479	3.752	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Cl	783687469	KLDIGFRXSAVHRV-NTUHNPAUSA-N	305.761	3.950	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@H](C)C[C@H]1C	783821201	MEVFHZZGERWZOQ-WDEREUQCSA-N	308.809	3.891	50	20	DHGD	
CSSCCNC(=O)c1csc2c1CC[C@H](C)C2	791116515	MEWLRFHOJCUXNE-VIFPVBQESA-N	301.502	3.614	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)c1cc2ccccc2s1	794691194	MXBDOIJDXSYHSH-QPEQYQDCSA-N	307.378	3.733	50	20	DHGD	
C[C@@]12CC3CC(C(=O)NNc4ncccc4F)(C1)C[C@](C)(C3)C2	804215265	JLZISYIQNOLCGS-FGKMVVGBSA-N	317.408	3.660	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc(F)n2)cc1Cl	804774100	BUNCYMHLSCWCME-UHFFFAOYSA-N	307.756	3.754	50	20	DHGD	
ClCCCOc1ccc(CNCC[C@@H]2CCCCO2)cc1	811489184	YNNZATJHYFDICW-INIZCTEOSA-N	311.853	3.743	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2ccc(Cl)cc2)s1	814688317	SLLSXYINRSMZQP-UHFFFAOYSA-N	310.831	3.887	50	20	DHGD	
O=C(NN=Cc1ccc2oncc2c1)c1ccc2ccccc2c1	814810282	FYGJQLITDCUPAT-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(OC(F)(F)F)cc1)C1CC1	815853247	CRPKAVLIDISIFM-UHFFFAOYSA-N	316.323	3.855	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cccc(Cl)n1	817009881	CNGKWRVWLPXTJJ-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCCCC1(F)F	822362721	CCWOETGIADPGBL-SNVBAGLBSA-N	322.277	3.974	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccccc2C(C)C)o1	824639880	RPUSKNATYGVVLH-UHFFFAOYSA-N	312.373	3.550	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)c(F)c1	826589509	ICGLSWMKEQQATO-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
C[C@@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)CCl	830734690	VZTUIANTZUTLGM-ZDUSSCGKSA-N	323.845	3.873	50	20	DHGD	
CC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCCCC1	832967726	AYQNYAMCGAYPHM-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cccc(OCCCC#N)c1	834447619	PBMKJTRANPBIAQ-GXDHUFHOSA-N	300.333	3.593	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CCCC23CCCCC3)c1	834925218	YUWKJWCWOPBOND-UHFFFAOYSA-N	313.445	3.973	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2nccs2)c(Cl)c1	836934636	COWLBDMLEQTMCI-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CC2(Cl)Cl)cc1	837364322	YDPPDMDGFRVJPX-LLVKDONJSA-N	316.232	3.630	50	20	DHGD	
C#CC1CCC(=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CC1	853277046	KZZPVAWNBUFHBJ-PZORYLMUSA-N	314.454	3.782	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ncnc3c2CCC3)C1	853897466	HVRILDWCCJILFW-ZDUSSCGKSA-N	319.525	3.566	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093369	HIAORFZSNVCOPR-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3ccc(F)cc3)CCC2)cc1F	856231280	VNOQSDJOYMJWKF-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCC[C@H](C(=O)NNC(=O)C1CCCC1)c1cccc(Cl)c1	858428378	UCLJTROKDMUKRH-HNNXBMFYSA-N	322.836	3.561	50	20	DHGD	
CCCCOc1cccc(NC(=O)NNc2cccc(C)n2)c1	860504020	AMHLLJNFYDHBEM-UHFFFAOYSA-N	314.389	3.718	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccc(Cl)cc1F	885106588	BVZVZJNRBIDGDV-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	901481673	UEUQLBLWUZDREN-ZEVOCZHWSA-N	303.333	3.525	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)c2c[nH]c3ccccc23)cc1	916287479	HEHPEXWNKDWVIW-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
Cc1ncc([C@H](C)NC(=O)NNc2cc(Cl)ccc2C)s1	923625787	KLGAFJZIKDJIKB-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C2CCCCCCC2)nn1	1329991841	SEVSZTOFVBIAEH-UHFFFAOYSA-N	304.438	3.578	50	20	DHGD	
C[C@H](C(=O)O)c1cccc(NC(=O)c2cccc(CCl)c2)c1	1603218467	SOBWCRXKDCJFCL-NSHDSACASA-N	317.772	3.866	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c(C)c1	7158710	MABGCJBCXDEJHE-CPNJWEJPSA-N	304.393	3.569	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C12CC3CC(CC(C3)C1)C2	40424997	SOSMQJCJZJZIFO-UHFFFAOYSA-N	321.424	3.894	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	66326019	FGTMUXKBHQUCLE-CQSZACIVSA-N	304.340	3.992	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1C	85654410	XJSVLJPZLVAGAZ-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2Cl)oc2c(C)cccc12	114883550	QIAUCZNVNNRUSA-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Oc2cccc(Cl)c2)cc1	120437858	XQGYSWHFGWQAAP-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
CCC[C@@H](C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	124700003	LXYXPOUUPXKSLR-SNVBAGLBSA-N	304.312	3.507	50	20	DHGD	
COCCC1(C(=O)NNc2c(C)cc(C)cc2C)CCCC1	133635416	LEDSBUXCXSCCMQ-UHFFFAOYSA-N	304.434	3.652	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1csc(C2CC2)n1)c1ccccc1	141370664	CZJIKWWSSFELOH-KMHUVPDISA-N	323.421	3.805	50	20	DHGD	
CNC(=O)/C(C#N)=C/c1ccc(SCc2ccccc2)cc1	151371052	UBSLEGOCUYGBHJ-LFIBNONCSA-N	308.406	3.632	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	152129277	QWQQKVLNMODBNA-WEVVVXLNSA-N	303.667	3.829	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1C[C@]12CCCc1ccccc12	154415288	DQIXDBWQGNHMIB-HKUYNNGSSA-N	310.372	3.563	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc(-c3ccccc3)nc2)c1	158861090	CKLPAAQKJPSIHF-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCSc1ccccc1	160650211	PUMIWLKPPITNOY-UHFFFAOYSA-N	304.390	3.760	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccccc1F	163721799	PEAKUSJZESYFAS-UHFFFAOYSA-N	301.365	3.795	50	20	DHGD	
CS[C@@H](C(=O)NNc1cc(C)ccc1F)c1ccccc1	177372864	RLROYYXAVJNEIR-OAHLLOKOSA-N	304.390	3.682	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccccn2)c2ccccc2n1	181208409	CUCNAWVNBOWSQP-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1ccccc1OC(F)(F)F	190160419	FLRNYOVNILVSPI-SNVBAGLBSA-N	304.312	3.855	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)c(F)c1	211890396	AYCFNIHHRNVQHE-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
O=C(/C=C\c1cc(Cl)cc(Cl)c1)NNc1ccccn1	492346236	FRMDMGUZUBNUBH-PLNGDYQASA-N	308.168	3.545	50	20	DHGD	
CN(N=Cc1ccc2c(c1)COC(C)(C)O2)C(=O)OC(C)(C)C	495448398	NSOJUNOVGWTXCY-UHFFFAOYSA-N	320.389	3.533	50	20	DHGD	
CCCN(N=C(CC)c1c(C)nn(C)c1C)C(=O)OC(C)(C)C	495612060	KOESFMUBSLCQDR-UHFFFAOYSA-N	322.453	3.798	50	20	DHGD	
Fc1ccccc1[C@H]1CC[C@@H](CI)OC1	536956849	DAXPBADPBLHCDJ-UWVGGRQHSA-N	320.145	3.523	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2c(cc1OC)C[C@H](C)O2	726118300	LLTMRXYJHQNRJA-WIJRQFRKSA-N	313.397	3.931	50	20	DHGD	
CCOc1ccccc1C=NNC(=O)[C@H](CC)c1ccccc1	731931312	FCCWCFBJKGUDTF-QGZVFWFLSA-N	310.397	3.729	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccccc1OC)c1ccccc1	731933671	ZUONSAZWHDDVKG-MRXNPFEDSA-N	310.397	3.729	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc(C(F)(F)F)ccc1F	733201916	RAFSSWOQQOKFOW-UHFFFAOYSA-N	324.277	3.917	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccc2ccccc2n1	737414425	XUFSFOYNBRJDID-OAHLLOKOSA-N	307.397	3.921	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1ccc(F)cc1	742516849	NYIOKTMJSTUPPD-KCXAZCMYSA-N	308.397	3.643	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccnc(Cl)c2)cc1	750632747	WTUJFQBBLCTQEZ-OVCLIPMQSA-N	312.756	3.694	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cnc2c(c1)CCCC2	752772099	KRKQDPXNHFHMQD-DHDCSXOGSA-N	321.355	3.645	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2F)c(Br)c1	755180373	QFJLOEMPCSBNGZ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1oc(C(C)C)nc1C#N)C(C)C	755254181	HBXCKISGHQAROC-ZDUSSCGKSA-N	320.437	3.965	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@H]2C[C@@H]2c2ccccc2)cc1C	755508241	MBORSGXGDRVJOJ-IEBWSBKVSA-N	322.408	3.588	50	20	DHGD	
N#C/C(=C/c1ccc(OCc2ccncc2)cc1)c1ccncn1	758912599	OCAHWQTXFRPDRV-BOPFTXTBSA-N	314.348	3.515	50	20	DHGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)[C@H](C)CC	766695598	KUEPEBDNLDGIDL-LLVKDONJSA-N	323.418	3.615	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cnccc1C	771561733	AFUQISSVNSLSBD-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	772823426	NHDLABLOTIPHIJ-RRFJBIMHSA-N	316.449	3.650	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	775563142	VSLFGVXJYJXGED-CYBMUJFWSA-N	324.384	3.884	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(Cl)cn2)cc1	778078209	DAOHXDSWPGPZDY-RIYZIHGNSA-N	312.756	3.694	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H]2C=CCCC2)ccc1Br	779011354	HHFROAJXRSJJTH-LBPRGKRZSA-N	323.234	3.947	50	20	DHGD	
CSSCCNC(=O)CCOc1ccc2ccccc2c1	791100781	WTFVDIIXIXSZGB-UHFFFAOYSA-N	321.467	3.736	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1ccc(Cl)nc1	792642482	ILEZOVWGUHTMGJ-UHFFFAOYSA-N	321.833	3.502	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)CCc1ccccc1O)c1ccccc1	794507297	HKYCDHKQZSRXNU-SFHVURJKSA-N	324.424	3.867	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCCOC1CCCC1	799563866	OAILCLUZBCSCHD-UHFFFAOYSA-N	319.449	3.533	50	20	DHGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc2nc(O)[nH]c2c1	799890864	BYRPVVXURWNJGU-QPJJXVBHSA-N	312.756	3.903	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)Cn1c(C)nc2ccccc21	807950786	XAEOBRSOVNAYLE-CYBMUJFWSA-N	314.433	3.663	50	20	DHGD	
COCCOCc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	809147955	YPRIRNHBLLGYOV-CPNJWEJPSA-N	321.376	3.639	50	20	DHGD	
ClCCCOc1ccc(CNCCN2CCCCCC2)cc1	811472981	NZRUMSGKQRFOSP-UHFFFAOYSA-N	324.896	3.660	50	20	DHGD	
ClCCCOc1ccc(CNCCNc2ccccc2)cc1	811482015	DRXTVBKGSJDGHM-UHFFFAOYSA-N	318.848	3.896	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)c1c[nH]c2ccccc12	811686062	LWMYQKFXXQISRR-JYRVWZFOSA-N	315.307	3.969	50	20	DHGD	
Cc1c(C(=O)/C=C\c2ccc(OCCCCl)cc2)cnn1C	811694031	PBJGXOANHAHOSF-TWGQIWQCSA-N	318.804	3.632	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C)cc(Cl)c2)cc1	814712127	KAYPSSJDUAKLIK-UHFFFAOYSA-N	315.804	3.519	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccccc2C2CC2)cc1	814998218	YMOUQJYIMDVZNO-UHFFFAOYSA-N	309.369	3.728	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2ncccc2C(F)(F)F)C[C@H]1C	825985024	VPSRJCXUHPPOIW-GMTAPVOTSA-N	315.339	3.616	50	20	DHGD	
C=CC[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccccc1	857392036	XSAMFKYYOAFQBZ-OFQRWUPVSA-N	322.246	3.636	50	20	DHGD	
Cc1oc(-c2cccs2)nc1C=NNC(=O)CC(C)(C)C	905443355	KNQNAWJDZXGMAM-UHFFFAOYSA-N	305.403	3.598	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(SC(F)(F)F)cc1	915974852	QGSNZJBZLJOINJ-VIFPVBQESA-N	304.337	3.795	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)CCC(C)(C)O2	920240693	ABUAWQNZISKMMP-FOWTUZBSSA-N	312.413	3.613	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccc(-c2cccs2)s1	1254502196	WIHRMVDSCSQRAV-UHFFFAOYSA-N	319.386	3.768	50	20	DHGD	
C[C@@]1(COC(=O)C2CCC(F)(F)CC2)C[C@@H]1Br	1263537633	VGMUQZAVYWRYPQ-ONGXEEELSA-N	311.166	3.529	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1	1318781303	ZDFXHPAAHUJCTD-LFIBNONCSA-N	306.340	3.860	50	20	DHGD	
Cc1nn(CCCl)c(C)c1-c1nnc(-c2ccccc2F)o1	1345496074	CLQSXMISMYILLX-UHFFFAOYSA-N	320.755	3.595	50	20	DHGD	
CCn1ncc2ccc(NC(=O)C3CCC(Cl)CC3)cc21	1346376088	MMGPCJDZKWHDLP-UHFFFAOYSA-N	305.809	3.792	50	20	DHGD	
C[C@@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(CCl)c1	1347061030	QSHQLNWUDQIYEP-BXKDBHETSA-N	305.727	3.838	50	20	DHGD	
CN(C)Cc1ccc(NC(=O)C2CCC(Cl)CC2)cc1F	1527943111	KKQFZPZIPSYENX-UHFFFAOYSA-N	312.816	3.623	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2oc(C(C)C)nc2C#N)cc1	60210834	BXFXBUVMKIHRGX-UHFFFAOYSA-N	312.373	3.550	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	132428146	NPJXQUCYXQSXEH-DTWKUNHWSA-N	302.205	3.658	50	20	DHGD	
CC(C)c1ccc(NC(=S)NN(C)C(=O)OC(C)(C)C)cc1	138683070	HHIPDHXYRUROJK-UHFFFAOYSA-N	323.462	3.878	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)NCc1ccccc1	152134922	DQBJIOOLTVJLAC-ZSOIEALJSA-N	314.747	3.702	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc2[nH]ccc2c1	181482377	XCMAJBIEQNBBCW-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
COc1ccccc1C=NNC(=O)Cc1cccc2ccccc12	254679510	NMAITFSDRRIAOR-UHFFFAOYSA-N	318.376	3.541	50	20	DHGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1ccccc1F	255554257	IBTJQJOCDTXVRI-QXMHVHEDSA-N	307.328	3.530	50	20	DHGD	
CCN(CC)c1ccc(C=NNC(=O)c2ccccc2C)cc1	257353691	SPABPLWSXAGBTK-UHFFFAOYSA-N	309.413	3.605	50	20	DHGD	
CSSCCNC(=O)c1cccc(-c2nc(C)cs2)c1	283912249	DMSQFSAQNNPAHJ-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	295772257	BTUSIQAJZJXQRO-QINSGFPZSA-N	300.377	3.901	50	20	DHGD	
CSSCCNC(=O)c1cc(Cl)nc2ccccc12	397801534	LSLNQWDSJKEXKD-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
C=CCN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(O)cc1	490911949	WIECFABNXIWURR-AQTBWJFISA-N	318.376	3.514	50	20	DHGD	
CCCN(N=C1CCCC[C@H]1CCCO)C(=O)OC(C)(C)C	496434242	GWLHRIINFWKYOD-AWEZNQCLSA-N	312.454	3.952	50	20	DHGD	
O=C(NN=Cc1csc(-c2cccs2)n1)c1ccccc1	728429043	FICBKWNWTXMZSO-UHFFFAOYSA-N	313.407	3.636	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1cc(C)c(C)cc1C	729935445	ZIVNYYPCZMJNJQ-UHFFFAOYSA-N	324.424	3.790	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1ccc2ccccc2c1	731321118	UMJHBNKNLUHIIT-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccnc(Oc3ccccc3)c2)c1	731784898	LPUKGPLRJFVOMC-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(Cl)ccc1O)c1ccccc1	731931056	BBEABPBYNICIQQ-HNNXBMFYSA-N	316.788	3.690	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc(OCc2ccccc2)cc1	731933470	IOXRHFHNTQERSH-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
Cc1ncc(/C=C\C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)s1	732731782	PZVMCWRMSTYESB-PLNGDYQASA-N	318.354	3.595	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2c(F)cccc2F)c(C)c1	735696386	QOBSZKRBGFCGDR-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
CC(C)[C@H](C(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	743339960	VJHHJPJARJLBQH-IBGZPJMESA-N	319.408	3.540	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(Cl)c1)NC1CCCC1	743531723	AZPJKEFVLDWFOX-UHFFFAOYSA-N	300.189	3.569	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccc(Cl)nc2)o1	743815393	CYXQWOUTTLYKEI-ZWNOBZJWSA-N	319.792	3.527	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1CCCSC1	748735004	MJCOCPDUJSUFCJ-VXGBXAGGSA-N	305.534	3.712	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1ccccc1F)CCc1ccccc1	749163896	BQIOHJQTOIEZIS-HNNXBMFYSA-N	312.388	3.739	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@@H](C)[C@@H](C)C2)c1C	751960935	GHOBHUMATQVOHX-GBBOCIJVSA-N	313.445	3.536	50	20	DHGD	
CC[C@H](CC(=O)NN(C)c1ccccc1)c1ccc(OC)cc1	752610101	IKCFMKIITNGSMF-OAHLLOKOSA-N	312.413	3.747	50	20	DHGD	
O=C(NN=C1CC2(CCCCC2)Oc2ccccc21)c1ccc[nH]1	753696372	WMJBZRKDSFVGHC-UHFFFAOYSA-N	323.396	3.634	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccccc2[N+](=O)[O-])CCCC1	755033904	KOBNJJXEQREDMN-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3c2)cnc1Cl	760252838	FFYCIRMBJYGROX-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2F)c(C)s1	760258691	ABOXWASXBQHYID-UHFFFAOYSA-N	310.781	3.921	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2cccnc2)c(Cl)c1	763340532	XRKVFKOBGQZBHB-UHFFFAOYSA-N	319.817	3.611	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2sccc2OC)cc1	764413299	ZTCARVOOAMTNNW-RAXLEYEMSA-N	312.394	3.865	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCC1CCCCCCC1	776632670	ARRZLPKUWOLHED-ATVHPVEESA-N	312.413	3.776	50	20	DHGD	
CC(Cl)(Cl)C(=O)NNc1cc(Cl)ccc1Cl	777417955	BGPCHHVLYLUPHQ-UHFFFAOYSA-N	301.988	3.630	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(Br)cc1F	780657409	QRIXAVVTFYDEDU-RKDXNWHRSA-N	317.202	3.714	50	20	DHGD	
CCCCC1CCC(C(=O)NNc2ncncc2Cl)CC1	781820680	XNHAGWCPGFHPQN-UHFFFAOYSA-N	310.829	3.570	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1cccc(F)c1	799536962	ZFWPMSQADXTFHU-UHFFFAOYSA-N	301.365	3.523	50	20	DHGD	
CSC1(C=NNC(=O)c2cc3c(s2)CCCCC3)CC1	800808792	PRFQGPGFVJQBPB-UHFFFAOYSA-N	308.472	3.628	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1ccc(OC(F)(F)F)cc1	802829477	SCFTVQBQYXGCGH-JTQLQIEISA-N	304.312	3.855	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2ccc3ccccc3n2)c1	813494854	DAGNXZVRLQTSBA-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1nc2ccccc2n1C	816578012	IXHIJAWVCCMNMN-CQSZACIVSA-N	322.412	3.519	50	20	DHGD	
COC(=O)c1cc(NNC(=O)CC2(C)CCCCC2)ccc1C	816688224	ITTRYCXDADXBTI-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
O=C(CCCC(=O)C1CC1)NNc1ccc(Cl)cc1Cl	827169154	HSPPHKOTICNNCU-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)c1	830767022	UPEMEFKKHYIIPT-MJGOQNOKSA-N	319.408	3.660	50	20	DHGD	
CCOc1nc(C)ccc1C(=O)NNc1ccc(C(C)C)cc1	837056478	AHFYRIGRHZOLNR-UHFFFAOYSA-N	313.401	3.669	50	20	DHGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1cccc(Cl)c1Cl	838348198	WRGNQCZHJRIIOU-VIFPVBQESA-N	318.248	3.603	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2CC3(CCC3)C2)c(C(F)(F)F)c1	843877340	DDOYAJXELMFGRO-UHFFFAOYSA-N	323.318	3.600	50	20	DHGD	
CCCN(N=Cc1ccc(OC)cc1F)C(=O)OC(C)(C)C	844595364	DQUWCTSYFYSOKO-UHFFFAOYSA-N	310.369	3.815	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)c(C)c1	849178168	WENUXNUBDFYPIT-VBKFSLOCSA-N	322.412	3.776	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3c(C4CC4)cnn3C)[nH]c12	849245219	PQSNJTLATFICSW-MDWZMJQESA-N	303.369	3.546	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(F)c(F)c1	851892817	OBZSIXLLSLBQLJ-HJIKLVIJSA-N	304.178	3.789	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2conc2C(F)(F)F)cc1	854884945	UEXXPWZWZDOGBP-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CC[C@H](c1ccncc1)N(C)C[C@@H](CBr)C1CC1	859216448	JIPAJZLDZNECJF-HUUCEWRRSA-N	311.267	3.886	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)cc1F	885106719	GHGKQJKNLYAGFC-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1ccc(F)c(F)c1	885113088	OEFBDMSPBFFUQJ-UHFFFAOYSA-N	302.390	3.720	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C(C)(C)C1CCOCC1	885127605	VBVDRMDCKCCNEV-UHFFFAOYSA-N	310.825	3.544	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1c(F)cccc1F	916288047	SYWDYKNNTFPHQP-UHFFFAOYSA-N	313.307	3.600	50	20	DHGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)NCCCCCC)cc1	920065939	NSTMNQZFBAWNFP-OBGWFSINSA-N	324.424	3.692	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCS[C@@H]2CCCC[C@H]21	1123657293	KDQYRXILBKBCCN-NWINJMCUSA-N	301.883	3.671	50	20	DHGD	
COc1cc(F)c(NC(=O)C2CCC(Cl)CC2)cc1OC	1345906328	PWRTYNCUZSCPGT-UHFFFAOYSA-N	315.772	3.579	50	20	DHGD	
C[C@@H]1[C@@H](C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)C1(F)F	1350091723	QCDZAQXPVZJVLC-WOPDTQHZSA-N	319.468	3.510	50	20	DHGD	
O=C(NCc1cccc(-c2cnco2)c1)C1CCC(Cl)CC1	1352314591	MHSZVTNIUQULOL-UHFFFAOYSA-N	318.804	3.755	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1occc1-c1ccccc1	70705075	CPDZVFSSJHPOMV-UHFFFAOYSA-N	314.291	3.982	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NNc1ccc(F)cc1	73569537	CTASCYRVUGNCQM-ZDUSSCGKSA-N	314.451	3.983	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1OC1CCC1	118495691	ALSYCMZEOJHXQI-UHFFFAOYSA-N	318.323	3.653	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ccc(F)cc1F)c1ccccc1	118956499	CAXDRAQOYLWGDL-LBPRGKRZSA-N	304.340	3.992	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc(OC(F)F)c2)c1	126656404	FVKSPKWKCIGMDR-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1ncc(Cl)cc1Cl	132897968	XVXWSDGVXDGEHN-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CCC(CC)CC(=O)NNc1ccc(OC(F)(F)F)cc1	134252200	LZTFSFNPBJDLEC-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(F)ccc1F	153360891	FAZZXFXOQKFBJY-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
O=C(/C=C/c1ccccc1)NNc1ccc(OC(F)(F)F)cc1	159620546	UFLOXZLLJMPZKM-IZZDOVSWSA-N	322.286	3.742	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ccc(C#N)cc1	161094945	QMQQXNBBKTYFGA-LBPRGKRZSA-N	313.788	3.534	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	173749262	CBJHWQWMGRXKJM-OAHLLOKOSA-N	304.340	3.848	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cc(C#N)cs1)c1ccccc1	188581452	VKDHBLAVKUXTAC-BAPRJRNISA-N	321.405	3.794	50	20	DHGD	
CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccncc1	254619767	ATHUZVNIPHJQLE-UHFFFAOYSA-N	311.429	3.528	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)C[C@H](C)C2CCCCC2)cc1	303103489	IQLQCQRMSLNXQU-AWEZNQCLSA-N	316.445	3.617	50	20	DHGD	
COc1ccc(/C=C/C(=O)NNc2ccccc2Cl)cc1	492222718	QGKMINAHENUBMK-DHZHZOJOSA-N	302.761	3.505	50	20	DHGD	
CCC(=NNC(=O)Cc1nc(C)cs1)c1cccc(Cl)c1	725856199	MPPUBYUUODMLEB-UHFFFAOYSA-N	321.833	3.578	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc2c(c1)CCC(C)(C)O2	728429670	LXHNROHLCVTUGB-UHFFFAOYSA-N	302.418	3.677	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2cccc(Cl)c2)o1	732763670	JMMUZVNQSXJRST-QMTHXVAHSA-N	302.761	3.820	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cc(C)sc1C	734093921	ZBGOQNBMXAHHLH-UHFFFAOYSA-N	322.817	3.878	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1c(F)cccc1F)c1ccccc1	735756278	PLOLKOAEYJRMEG-HNNXBMFYSA-N	319.355	3.988	50	20	DHGD	
CC[C@@H](NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1	738414883	CBTWUCPPGVGIBS-CQSZACIVSA-N	318.417	3.762	50	20	DHGD	
CCC(=NNC(=O)c1ccc(COc2ccccc2)o1)C1CC1	741163612	NNBLXUKQDQOSGY-UHFFFAOYSA-N	312.369	3.764	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	741472399	HWFJKPNLRZDOBM-UVTDQMKNSA-N	304.353	3.729	50	20	DHGD	
COc1ccc(C(=O)NNc2ccccc2Cl)c(Cl)c1	748317397	HPDPYDVPRFVSIB-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(Cl)cc2)c(Cl)c1	749273344	LFQYWKQOQGFQOW-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OC	749452997	QRSMFUKINHKJTD-MLJKTZRHSA-N	317.385	3.731	50	20	DHGD	
COc1ccc(CN(C)/C(=C/C#N)c2ccccc2)cc1OC	750791607	QIIYHHUGMUZVGY-GZTJUZNOSA-N	308.381	3.700	50	20	DHGD	
CC(C)C(=NNC(=O)c1ccc(Br)s1)C1CC1	750935868	ZPROXQQVKGGINK-UHFFFAOYSA-N	315.236	3.662	50	20	DHGD	
Cc1c(NNC(=O)[C@H](C)CCC(C)(C)C)cccc1[N+](=O)[O-]	755574014	RYSCNZLFOGEZPO-LLVKDONJSA-N	307.394	3.809	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2	755628266	RHSKOMRBKDGWEF-WBAXXEDZSA-N	320.392	3.533	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)CC1CCCC1)C1CCC(C)CC1	764463388	VORDRZSVWJCTGX-BCLQGDPASA-N	308.466	3.567	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@@H](C)C3)n[nH]2)c1	764790354	QFJOEIYKMMEZPJ-GFCCVEGCSA-N	324.428	3.989	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1cncc(C)c1	767355093	CKKWUODCOKYGTN-UHFFFAOYSA-N	317.392	3.626	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1F	771523380	NGHMFQRLZLTELO-XFXZXTDPSA-N	314.291	3.519	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cc(F)c(F)cc2F)cc1	775388743	AYMIFASJRFYPIT-UHFFFAOYSA-N	309.291	3.815	50	20	DHGD	
O=C(Cc1ccccc1F)NN=C1CCC[C@H](C(F)(F)F)C1	783516107	HAUVEMLRLASXJB-NSHDSACASA-N	316.298	3.593	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)s1	787146655	AMTUKIOTOCKFQN-ZMTLZGASSA-N	312.394	3.547	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)Cc1ccsc1	799557640	ZTMFVIKKPUPRDT-CYBMUJFWSA-N	317.458	3.876	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(C)c(Cc2ccc(F)c(F)c2F)s1	806553770	YICDVPIHLMHKNY-YFHOEESVSA-N	323.343	3.673	50	20	DHGD	
CSSCCNC(=O)N(Cc1cccc(F)c1)C(C)C	807233330	CSLMBWKGKFLGQD-UHFFFAOYSA-N	316.467	3.757	50	20	DHGD	
O=C(NCC(Cl)Cl)C1c2ccccc2Oc2ccccc21	808129843	XXYFRGJNHMMXHZ-UHFFFAOYSA-N	322.191	3.844	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1	810216255	GXVRWJODAYFDIX-WJDWOHSUSA-N	322.412	3.599	50	20	DHGD	
CN(C)C1(CNCc2ccc(OCCCCl)cc2)CCCC1	811472455	HDMGJZUINAXTAP-UHFFFAOYSA-N	324.896	3.658	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CC(C)(C)C2)cc1OC	814755218	WVOUEWYOJMSGHK-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CCC(=NNC(=O)N=c1cc[nH]cc1)c1cccc2ccccc12	815001929	ZQVOLQCTGLJXTI-UHFFFAOYSA-N	318.380	3.593	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(Br)c(F)c1	819500288	UMSCTCGLKANGNI-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
COc1cc(F)cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	834425010	GRBFUUWPHQZXGH-RIYZIHGNSA-N	316.376	3.532	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCC1CCC(F)(F)CC1	837562090	MJXHXGRUOGUWNP-NTEUORMPSA-N	321.323	3.668	50	20	DHGD	
C[C@]1(COC(=O)/C(C#N)=C\c2ccccc2)CC1(Cl)Cl	837677660	CLPJJSFCPADSGM-YRBHFNIASA-N	310.180	3.721	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccccc2C(C)C)c(C)c1	848402106	UKGHRQAPIQPXOR-UHFFFAOYSA-N	323.440	3.989	50	20	DHGD	
O=C(C=C1CCCC1)NNc1nc2ccc(Cl)cc2s1	856234376	WKHXIWBLSKHYHE-UHFFFAOYSA-N	307.806	3.893	50	20	DHGD	
Cc1csc(C(=O)NN=C2CC(c3ccc(F)cc3)C2)c1	863155470	MHIJGJSJEHZJGV-UHFFFAOYSA-N	302.374	3.859	50	20	DHGD	
COC(=O)c1csc(/C=C(\C#N)C(=O)C2CCCCC2)c1	864366713	YSBDXTQDEKZICL-KPKJPENVSA-N	303.383	3.591	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2cnc(C)s2)c(C)c1	876014864	QRMXOKHFXLQAMH-GFCCVEGCSA-N	318.446	3.764	50	20	DHGD	
CC[C@H](C)Oc1cccc(NC(=O)NNc2ccc(F)cn2)c1	878450258	LYQBMINOSVWRSN-NSHDSACASA-N	318.352	3.547	50	20	DHGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1ccsc1	892553978	ZRUZEGPFPFOWGS-UFGOTCBOSA-N	314.248	3.665	50	20	DHGD	
CSc1ccc(C)c(NC(=O)[C@]2(C)C[C@@H]2Br)c1	907226742	KJTKATBMOQJLRH-WCQYABFASA-N	314.248	3.829	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cccc(O)c1	916359037	FYXSFMMUSYOVAJ-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CC1CCN(C[C@H](C)C(=O)NN=C2CCCCCCC2)CC1	916363919	XDJMJHVHHMBNRK-INIZCTEOSA-N	307.482	3.571	50	20	DHGD	
Cc1nnc(NCc2ccc(OCCCCl)cc2)n1C1CC1	922664237	TXDKTSGUCRGGLI-UHFFFAOYSA-N	320.824	3.541	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3ccccc3C)n2c1	1324156313	PSJCXMNGNYGZKE-DHDCSXOGSA-N	301.349	3.741	50	20	DHGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1ccccc1Cl	1343872128	OHMNNVDOYFTAGH-UHFFFAOYSA-N	324.808	3.871	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1C(F)(F)F	1590928273	ZIQVLAIKHFBDLK-WZUFQYTHSA-N	311.259	3.536	50	20	DHGD	
Cc1nc(CC(=O)NN=C2C[C@H](C)CC[C@@H]2C(C)C)cs1	8342271	FGNFNONSQLMOKI-BXUZGUMPSA-N	307.463	3.558	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)c2cccc3ccccc23)cc1	75418613	SQWSJRUNXZOWLA-UHFFFAOYSA-N	319.364	3.615	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3cccnc3Cl)cc2C1	85685968	MNCQRCOXLMZBAP-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)c(F)c1	92425581	DVOFWIFTQJSYLJ-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cccc(C(F)(F)F)c1	128367761	FJYGLDGACLQBMM-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCC(=CC(=O)NNc1ccc(OC(F)(F)F)cc1)CC	155480798	SXDLZPLKFWGBNL-UHFFFAOYSA-N	302.296	3.775	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2nc(C)cs2)cc1	158521056	QIKHGEUZWFWUBS-LCYFTJDESA-N	313.382	3.501	50	20	DHGD	
CC(=O)c1cccc(NC(=O)NNc2cccc3cnccc23)c1	171442479	LAQBYLYBMNILDT-UHFFFAOYSA-N	320.352	3.586	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCCCC[C@H]1c1ccc(CC)o1	178968345	MSPGZLPTZMPFKU-VUSFMPOISA-N	316.401	3.730	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2ncccc2Cl)cc1	179945040	SNBJQJXNHVFIRV-UHFFFAOYSA-N	320.780	3.672	50	20	DHGD	
Cc1ccc(-c2ccsc2C(=O)NNc2ccccn2)cc1	181237441	JKLOYIIUXHUDLT-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
COc1ccc([C@H]2CCN(C[C@@H](C)CBr)C2)cc1	186307839	CNIVEPUTAWUVRW-JSGCOSHPSA-N	312.251	3.516	50	20	DHGD	
Cc1ccnc(NNC(=O)c2c[nH]cc2-c2ccc(C)s2)c1	188395006	PQHAQALTJWFPTR-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(C2CCC2)cc1	189657780	ACIGWEXEKJAVIV-UHFFFAOYSA-N	311.341	3.619	50	20	DHGD	
COc1cc(NC(=O)NNc2ccccc2F)ccc1Cl	194414688	AQOMZGDDKLGQPP-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1cc(-c2ccccc2)n[nH]1	254488603	YNZSEBRDZMTLQU-URQPXYJTSA-N	316.364	3.506	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1ccc(-c2ccccc2)cc1	254517119	BKKHELONVBNZSN-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1ccc2c(O)nccc2c1	285821405	WGEGWTLHJFJGBJ-GFCCVEGCSA-N	301.390	3.600	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cnc1Cl	490726172	OERBDHPEOOMYDX-KPKJPENVSA-N	315.735	3.728	50	20	DHGD	
Cc1ncsc1/C=C\C(=O)NNc1ccc(C(C)(C)C)cc1	492744857	QOXMAYKYLHLLPR-KTKRTIGZSA-N	315.442	3.906	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cccnc3C)n2)cc1	728786157	SOADPOVZSQXGIY-YBEGLDIGSA-N	302.337	3.813	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccc(F)c2F)n1	730729877	PLLROUHLTYRDGR-UXBLZVDNSA-N	320.320	3.662	50	20	DHGD	
Cc1cc(OC(=O)C[C@@H]2CCc3ccccc32)ccc1[N+](=O)[O-]	734388390	HATQMIQFJWCYMZ-AWEZNQCLSA-N	311.337	3.929	50	20	DHGD	
CCC(=NNC(=O)CCOc1ccccc1)c1ccc(F)cc1	747058938	AFUQJGRAXDGMTE-UHFFFAOYSA-N	314.360	3.525	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cccc2cccnc12	748754345	OXQUIINBNYXZHN-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])cc1	755033824	IFPHBGXJZCWBCG-GFCCVEGCSA-N	313.357	3.865	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2nc(C)cs2)c(Cl)c1	755744243	OCSWDDLASWAYAT-UHFFFAOYSA-N	308.794	3.569	50	20	DHGD	
Cc1nc[nH]c1C=NNC(=O)Nc1ccc(-c2ccccc2)cc1	755746507	ZEWRXTIBXHUQHZ-UHFFFAOYSA-N	319.368	3.541	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)c(F)c2F)c(Cl)c1	756885531	ISKZXWIHODPAEJ-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1cccc2c1CN(/C(=C\C#N)c1ccc([N+](=O)[O-])cc1)CC2	759874745	KOLRZOFVMINOQS-OCKHKDLRSA-N	319.364	3.826	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2cccc(Cl)c2)c1	760141403	STFMOTIKBCFZCY-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)c1ccc(C)o1)CCCO2	763180427	XCVZIBRXCMAOEW-UHFFFAOYSA-N	312.369	3.512	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1CCC(C(F)(F)F)CC1	768217287	ZJOBTDFQWOYZPJ-UHFFFAOYSA-N	318.314	3.946	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1cc2ccccc2o1	770358141	JOKMFBHQLJJGMQ-SNVBAGLBSA-N	311.175	3.550	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(Cl)c2)cc1[N+](=O)[O-]	775409717	OVVVYURNEKVYRU-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cn1c2ccccc2c2cc(C(=O)NNc3ccccn3)sc21	777472250	CGZBQZCDKKVPEO-UHFFFAOYSA-N	322.393	3.545	50	20	DHGD	
CCc1cnccc1CNC(=O)CCCC[C@H]1CCSS1	778957229	ALMLLTLCAMUPKQ-HNNXBMFYSA-N	324.515	3.974	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccccc1OC(F)(F)F	779208786	NDHOUFODBDBULP-GHMZBOCLSA-N	316.323	3.855	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	779777156	RXPACBOVUGXXNA-AWEZNQCLSA-N	310.401	3.558	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	780513117	WMCSNFKGKDECHR-ZJUUUORDSA-N	322.796	3.515	50	20	DHGD	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)/C(C#N)=C/C3CC3)o2)cc1	786677205	XWWKLNXNJDGYBQ-KMHUVPDISA-N	323.352	3.509	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)C1CCC(F)(F)CC1	788713743	HZAKRZOXAHZSDJ-UHFFFAOYSA-N	324.371	3.642	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cn2c1	789125925	AGRJIGFMUKFHSV-ZSOIEALJSA-N	304.309	3.615	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1c1ccc(C)cc1	790875350	JHMUMQMNXNUMOA-CQSZACIVSA-N	310.488	3.853	50	20	DHGD	
CN(CCCN(C)/C(=C\C#N)c1ccccc1)Cc1ccco1	796677201	VRXOUHKNPWCHCP-ODLFYWEKSA-N	309.413	3.598	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1coc(C(C)C)n1	799470089	PDWJDONLRRKPRG-UHFFFAOYSA-N	305.765	3.605	50	20	DHGD	
CSC1(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CCC1	800808798	QGWODQDCGVEQSB-NSHDSACASA-N	322.499	3.874	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(Cl)c(F)c1	802832280	KDYGUYRCRBPMED-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H]1CCC[C@H](C)C1	805374751	QHHRBVSVHPUDQE-AAEUAGOBSA-N	305.378	3.563	50	20	DHGD	
CCCCc1ccc(NC(=O)NNc2cccc(F)n2)cc1	806101042	GYTHOECODSQZPR-UHFFFAOYSA-N	302.353	3.712	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C(/C)N)n2)cc1Cl	806553741	XRFKOYACRDQQPE-NTMALXAHSA-N	305.790	3.685	50	20	DHGD	
COc1cc(NNC(=O)C2(C(F)F)CCCC2)ccc1Cl	813545977	RBLVITBNYPWDTR-UHFFFAOYSA-N	318.751	3.617	50	20	DHGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	828828058	DXOPPALAZRXMPB-WCBMZHEXSA-N	302.205	3.658	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(C)cc2Cl)c1C	836938296	KFOOEMZOIOIVAX-UHFFFAOYSA-N	305.809	3.844	50	20	DHGD	
CO[C@H](C)CCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378012	APBWKXZWYFXSBR-MRVPVSSYSA-N	324.730	3.617	50	20	DHGD	
O=C(NN=C1CCC(c2ccccc2)CC1)OCC(F)(F)F	853432273	UIJISRCQFBCGIO-UHFFFAOYSA-N	314.307	3.989	50	20	DHGD	
CC(C)CC(=O)NNc1ccc(Cl)cc1Br	856233544	QXSZYOCXBBSZDG-UHFFFAOYSA-N	305.603	3.592	50	20	DHGD	
CO/C(=C/c1ccccc1)C(=O)NNc1cccc2c1CCCC2	857160156	JUGZJAJCBWUCQX-XMHGGMMESA-N	322.408	3.696	50	20	DHGD	
Cc1cnc(Cl)c(C(=O)NNc2cccc3c2CCCC3)c1	879251951	VFLDTBFWEPOBNS-UHFFFAOYSA-N	315.804	3.679	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(F)F)[nH]n1	880076940	BTPPFZAOSKMYOJ-UHFFFAOYSA-N	308.332	3.536	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1[N+](=O)[O-])C(=O)C1CCCC1	899345843	WLOMTSJMRKHHCV-GHXNOFRVSA-N	304.733	3.914	50	20	DHGD	
CCn1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(C)n1	899377981	KVLQFJWQRWNJRH-WDZFZDKYSA-N	306.291	3.689	50	20	DHGD	
CC(C)(C#N)CC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912581458	FWNQHDSYRXJBOA-CYBMUJFWSA-N	310.514	3.549	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1cc2cc(Cl)ccc2o1	916242740	ACRWLBZETWBXNN-UHFFFAOYSA-N	313.744	3.635	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2ccc3c(c2)CCO3)cc1	917538302	MFUYGFSFZJMQHR-UHFFFAOYSA-N	322.408	3.683	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1cc2ccccc2o1	917556383	UZFCEPMHGOHZAV-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
CC(=NNC(=O)NCc1ccco1)c1cccc2ccccc12	920824788	GGHJWKWPBWWTFY-UHFFFAOYSA-N	307.353	3.656	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ncoc2C(C)C)cc1	1319743788	VWQMBOSPEMEVNJ-NVNXTCNLSA-N	310.353	3.757	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C(C)(C)Oc1ccccc1	1321190858	XRHXCUVGGYWUOV-UHFFFAOYSA-N	312.413	3.858	50	20	DHGD	
CCCN(C(=O)CCl)[C@@H]1C[C@H](OCC)C12CCCCC2	1323268142	ABUZDROQLOZVEB-KGLIPLIRSA-N	301.858	3.592	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNC(=O)c1ccccc1Cl	1344062898	SRKRIHROSMIURG-LBPRGKRZSA-N	310.825	3.563	50	20	DHGD	
CCc1nc([C@H](C)NC(=O)C2CCC(Cl)CC2)cs1	1348831682	UUGIIAUPNPDCMU-WHXUTIOJSA-N	300.855	3.680	50	20	DHGD	
Cc1cc(CN(C)C(=O)CCCC[C@H]2CCSS2)no1	47665199	DLLICJIYJJGPGI-ZDUSSCGKSA-N	314.476	3.656	50	20	DHGD	
C[C@H](NC=C(C#N)C#N)c1ccc(OCc2ccc(F)cc2)cc1	103057543	KZNMCDJCFVYZFZ-AWEZNQCLSA-N	321.355	3.986	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1ccnc2ccccc12	115712664	BJVAHSXBZSXINI-OAHLLOKOSA-N	317.392	3.798	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1ccc(Cl)cc1	120314192	LMBRVSDCQNMSBV-UHFFFAOYSA-N	304.777	3.884	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)s1	128128575	URXCMVZGIQMOKJ-UHFFFAOYSA-N	324.409	3.524	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OCC(F)F)cc1	132505149	LOOGOEAYJZMUSH-LCYFTJDESA-N	309.312	3.581	50	20	DHGD	
Cc1cc(C(=O)CCC(=O)NNc2cccc(F)c2)c(C)s1	154075003	KBNPPERQKCGPSF-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc(C(F)(F)F)n1)C(C)C	163102865	PCKDPTHRQZEHHZ-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	171157498	DJFFKTHJUGHMIL-OQFOIZHKSA-N	322.677	3.526	50	20	DHGD	
COCc1cccc(/C=C(\C#N)c2nc3ccccc3n2C)c1	174054608	JQFYRZCFPLYXPS-LFIBNONCSA-N	303.365	3.784	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1C	588597152	WQJKXZVGYDMTPB-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1	726429033	CMEPQMKZQREDDW-HAAVITCDSA-N	307.777	3.879	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@H]2CCCC[C@@H]2C1	731487847	GJFLGWYLHQVGRD-ZIAGYGMSSA-N	300.402	3.771	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)c1ccc(C#N)cc1	747053315	QYVOKPGJMKKEBB-UHFFFAOYSA-N	317.348	3.631	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccc(C(F)(F)F)cc2)C1	747606926	XCRVICFJPDWRTQ-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)s1	747644023	VPYORVAJYYDYJN-UHFFFAOYSA-N	310.781	3.867	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1cccc(Br)c1	748018238	LHOGNPCIRUIGHA-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1ccccc1F	748057218	LKFLANGQCPVMOK-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
CC[C@@H](C)Oc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OC	749452993	QRSMFUKINHKJTD-GULXKOIASA-N	317.385	3.731	50	20	DHGD	
COCC(=NNC(=O)c1cc2c(s1)CCCCCC2)C1CC1	754259763	SORUWYOQHABKCP-UHFFFAOYSA-N	320.458	3.549	50	20	DHGD	
Cc1ccc(-c2cccc(C=NNC(=O)c3cccnc3)c2)cc1	757561889	QRTIKMVGVPSDNM-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(Br)cc1)C(C)(C)C	762798069	YGWOCJWGFSGMSD-KTKRTIGZSA-N	311.223	3.885	50	20	DHGD	
C[C@H]1CCCCC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764810269	QHJRGRNAIYSPDI-NSHDSACASA-N	314.364	3.512	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)o1	767896187	FOKYNHVDQOOWRW-JTQLQIEISA-N	316.426	3.847	50	20	DHGD	
C[C@@H](CBr)COC(=O)C(C)(C)c1ccc(F)cc1	770368784	ZGGGWLJBOCRHHW-JTQLQIEISA-N	317.198	3.678	50	20	DHGD	
Cc1ccc2[nH]c3c(c2c1)CN(C[C@H](C)CBr)CC3	770667126	OBJLSORNKLLNFF-GFCCVEGCSA-N	321.262	3.865	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1cccc(C(=O)OC(C)(C)C)c1	777869587	LTBZCUCVGYLLMV-GDNBJRDFSA-N	315.369	3.500	50	20	DHGD	
CCc1ccc(CNC(=O)[C@@H](Br)C(C)(C)C)s1	781075220	PMTFQFKRUAPJLN-LLVKDONJSA-N	318.280	3.736	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(-c3ccccc3)nn2)CC1	783900130	HFXFOZQXLPHBEJ-KOMQPUFPSA-N	324.428	3.803	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)s2)c1	786056892	VNBRVKSVEXRNEO-JYRVWZFOSA-N	316.813	3.933	50	20	DHGD	
CCc1cncc(C(=O)NNc2c(Cl)cccc2Cl)c1	789986738	QRAKQGILIWZNAV-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2c(ccc3ccccc32)[nH]1	791226175	XGDWSAJHZXBIAR-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
C=C(CBr)CN1[C@@H](C)[C@@H](c2ccccc2)OC[C@H]1C	791458156	DYAQKESHAGCZEQ-YCPHGPKFSA-N	324.262	3.788	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccccc2Cl)cc1C=O	793707176	UGAURZAHSRWQDL-UHFFFAOYSA-N	302.761	3.526	50	20	DHGD	
COc1ccc(NNC(=O)c2cc(C)c(Cl)cc2C)cc1	795079577	CGFVFLQIMHKOTM-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Cc1cncc2ccccc12	805211065	XMTSJSOGDMJDPP-GFCCVEGCSA-N	320.483	3.541	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(C(F)F)CCCC1	813494170	ZVGCDCYLKFTRDE-UHFFFAOYSA-N	322.277	3.974	50	20	DHGD	
CSCCCC=NNC(=O)CCSc1ccc(F)cc1	814753901	FHQZDTRRQIGCLF-UHFFFAOYSA-N	314.451	3.553	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2nc(C)cs2)c(Cl)c1	836936092	YGWBMKOHIFAYJL-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2ccc(Cl)s2)c1	839390636	WVVZXTPVUCGDRP-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1cccc(O)c1	839424144	ASNDRDFECALFIN-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)nc2)s1	840715450	BPFKAGRZOUOHGB-QPEQYQDCSA-N	311.410	3.934	50	20	DHGD	
Cc1cnc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)nc1	844349340	LUTZLCPFHSNQBY-OAHLLOKOSA-N	321.541	3.771	50	20	DHGD	
C[C@]1(CNC(=O)Nc2cccc(Cl)c2)C[C@H]1Br	856811236	LZMFGNCLITWFPF-ZYHUDNBSSA-N	317.614	3.635	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cncn2CC)cc1	901419225	XBKCBRXZMTZIHL-LFIBNONCSA-N	322.412	3.791	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cc(F)ccc1F	915972647	RLZSFVFBRWGHIR-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
CC(=O)NN=Cc1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C	916267588	XNNUYCZYEHTAQE-UHFFFAOYSA-N	323.318	3.583	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1c[nH]c2ccccc12	916288168	YULVWTJRLLBBIH-BHPKHCPMSA-N	307.397	3.710	50	20	DHGD	
COc1cccc(NC(=O)NNc2cccc(Cl)c2)c1OC	916970398	CWULSOSEIWJDRE-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
CCCN(CCN(C)C)C(=O)CCCC[C@@H]1CCSS1	921091635	LJCVLYLBAITVQQ-CQSZACIVSA-N	318.552	3.501	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(NC(C)C)nc2)ccc1Cl	928340015	OZSGLJZQOMZHRE-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
O=C(CCl)Nc1cccc(COCCc2ccccc2)c1	1319923461	LFAYFSORPUPYGC-UHFFFAOYSA-N	303.789	3.623	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNC(=O)c1ccccc1Cl	1340986801	GRVYJSVOROWZAR-LBPRGKRZSA-N	322.836	3.708	50	20	DHGD	
N#C/C(=C\c1csc(C(=O)O)c1)c1nc(C2CC2)cs1	1601045776	JJJOLQKYXKCCBM-XCVCLJGOSA-N	302.380	3.844	50	20	DHGD	
O=C(CSCc1ccc(Cl)cc1)NNc1ccc(F)cc1	45971126	WVAQFCPEWTZUJH-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1ccc(OC(F)F)cc1	114928850	OLFWCLSFNBGHCO-LLVKDONJSA-N	321.327	3.675	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1csc(C2CC2)n1	120236287	DCXULGNVDSYKBB-UHFFFAOYSA-N	313.426	3.656	50	20	DHGD	
CS[C@@H](C)CC(=O)NNc1c(Cl)cc(F)cc1Cl	124376249	BZEHUOBYQDKDAO-LURJTMIESA-N	311.209	3.717	50	20	DHGD	
C[C@@H](CBr)CN(Cc1cccnc1)Cc1ccco1	152757247	PCCNBDZJRGAIRM-ZDUSSCGKSA-N	323.234	3.708	50	20	DHGD	
CCC[C@@H](C(=O)NNc1nc(C(F)(F)F)cs1)C(C)C	153398388	KVCDILOHMJQLSL-MRVPVSSYSA-N	309.357	3.677	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(Cl)c[nH]1	178876175	NRAVBDLVCKQBKP-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c(C(C)(C)C)n1	180256658	KTRBPJNSJUTXCC-UKTHLTGXSA-N	311.360	3.647	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1nc2ccccc2cc1C	181288443	WWGPMYSBKQQVAM-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(Br)c(Cl)s1	190219218	GFTZFMHZPDJJSK-UTCJRWHESA-N	320.595	3.634	50	20	DHGD	
O=C(/C=C\c1cccnc1)NNc1ccc(Cl)cc1Cl	255742632	XEDZDNAEBFYAHL-UTCJRWHESA-N	308.168	3.545	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@@H]1CCc2ccccc21	588430470	DSHAHMUWJGAWCY-FDIDWWNZSA-N	320.367	3.579	50	20	DHGD	
CC1=CC(=NNC(=O)c2cc(Br)c[nH]2)CC(C)(C)C1	725839428	QPNGJPPYTOLVQB-UHFFFAOYSA-N	324.222	3.629	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)[C@H](C)CN1CCCCC1	727254285	SVNIVSUXDHRDJK-HZPDHXFCSA-N	307.482	3.571	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc(F)c(F)c(F)c1)c1ccccc1	731151321	VRKPFAJQCYOQPF-UHFFFAOYSA-N	320.314	3.532	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2cc(F)c(F)cc2F)cc1	734659706	DKDBLPWEUNBTFR-SNVBAGLBSA-N	323.318	3.800	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=CC2CCCC2)cc1OC	741837517	LNGMYGGQQIXBSQ-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
C[C@H](CNC(=O)NNc1ccc(F)cc1)Sc1ccccc1	745901474	JNNBFFMIPRSMNY-GFCCVEGCSA-N	319.405	3.633	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2csc(C(C)(C)C)n2)c1	748351885	GSADCDBCJGJYSD-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CC12CCOCC2	749340210	LDIYSQUBEHLBAQ-GOSISDBHSA-N	322.408	3.673	50	20	DHGD	
C[C@H](CN(C)C(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1	751945058	KTCNGPWKPDTIGZ-GYZOOYGHSA-N	322.383	3.995	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccncc2)cc1	757680928	XKIKQVOSRIEURQ-VMOJBDSFSA-N	322.364	3.692	50	20	DHGD	
CCC(=O)c1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	760304219	ILPKXGVJQYBZMK-UHFFFAOYSA-N	313.309	3.715	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1ccc(F)c(F)c1F	769021837	RFCJRGCRWJQKNU-UHFFFAOYSA-N	322.330	3.833	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21	769328661	NCGJNAQIKOUZHP-BROZXCPCSA-N	318.376	3.609	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccoc2Br)c(C)c1	770568198	JOZWEDXVJIOSBO-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3c(C)cccc3F)coc2c1	771706856	KYMVMWPSRIGHRE-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc(C#N)cc2F)nc2ccccc21	772805163	GBLWZQYERCUFCH-ZROIWOOFSA-N	302.312	3.648	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ncc(Cl)cc1Cl	775273035	COCPYLRPEXJAQQ-GUBZILKMSA-N	314.216	3.658	50	20	DHGD	
CC(C)Oc1ccc([C@@H]2CCCC2=NNC(=O)C2CC2)cc1	776758971	URMFUEVGARIOCY-INIZCTEOSA-N	300.402	3.624	50	20	DHGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1ccc(C(C)(C)C)cc1	780803216	BVBUUHCALXBRLP-CQSZACIVSA-N	312.413	3.895	50	20	DHGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)c1cccc(C#N)c1	784732352	GLNQFOIWFMBOSP-ZWNOBZJWSA-N	324.218	3.972	50	20	DHGD	
C=C(CBr)COC(=O)C[C@@H](C)c1cccc(F)c1	795514288	HSBMHHFRELTFHN-LLVKDONJSA-N	315.182	3.814	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(F)cc(Cl)c1	795546269	PEDJIFWPROYTTB-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cncc2ccccc12	799758086	WGMZCCAZPKXHDA-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CC1(CNCc2ccc(OCCCCl)cc2)CCOCC1	811483534	KMFCLVPYSPEKFF-UHFFFAOYSA-N	311.853	3.601	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC[C@@H](c3ccccc3)C2)cc1	814712209	NAIQUUHUPMYNGH-QGZVFWFLSA-N	321.424	3.847	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2cc3c(s2)CCC3)s1	814738690	JKJXXTMIFHONTI-UHFFFAOYSA-N	319.455	3.581	50	20	DHGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=C1CC2(CC2)C1	814750000	CKXZYEKPORTBNN-GFCCVEGCSA-N	320.820	3.770	50	20	DHGD	
Cc1cccc(NNC(=O)c2ncsc2Nc2ccccc2)c1	816843812	CRPBSLYAFPIGJW-UHFFFAOYSA-N	324.409	3.952	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H]1CC[C@H]2C[C@@H]12	827185540	AVFGNICMIMQJEH-GMXVVIOVSA-N	323.234	3.637	50	20	DHGD	
CC(C)C[C@@H](NS(=O)(=O)CCl)c1ccc(Cl)cc1	830667819	IQEIFGFGRNVCLN-GFCCVEGCSA-N	310.246	3.543	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCC[C@@H]1CCOC1	837067326	WOKLSZJVSXSTCR-KGLIPLIRSA-N	317.520	3.633	50	20	DHGD	
COC1([C@@H](C)NC(=O)CCCC[C@H]2CCSS2)CCC1	839875597	MUUVHOANDPUPSQ-OLZOCXBDSA-N	317.520	3.774	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)c1ccccc1C	843753934	DSILTPHTXWFELF-CQSZACIVSA-N	302.418	3.529	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844275016	NVDSCMRNGHSUGZ-QPEQYQDCSA-N	305.349	3.755	50	20	DHGD	
COCc1csc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	849179881	SYWMUITVHWQVKI-NTEUORMPSA-N	318.442	3.593	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)OCC(F)(F)F	853431983	OXWUBYCFNBTSFZ-UHFFFAOYSA-N	314.263	3.618	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccnc(Cl)c1)c1ccccc1	855469569	KEBXFEFKWHFZHQ-CQSZACIVSA-N	303.793	3.762	50	20	DHGD	
CC(C)(CCC(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093054	PLILWLWASUKNFA-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
CCc1ccccc1NC(=O)NC[C@]1(C)C[C@@H]1Br	856812680	ULXNZUNIUNTTSZ-JSGCOSHPSA-N	311.223	3.544	50	20	DHGD	
COc1cccc(C(=O)NNc2cccc(C)c2)c1OC(C)C	856849740	LPCIMNDXYISFFU-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(F)cc2Cl)CCO1	885137426	XJVMPZOTPZJBRK-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cncn1C(C)C)c1ccccc1	901496653	XADOCGZSKRNWMW-CFINBHSISA-N	322.412	3.638	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)s1	916336689	MMBXDZQSMGQTEU-CQSZACIVSA-N	316.426	3.591	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C/C=C/c3ccco3)cc2C1	920367780	QALSTFKGAZMMBK-WIWFJQEYSA-N	314.410	3.895	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1	921252288	BBPBUGOLMPKYFR-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H](C)c2c(C)noc2C)ccc1Cl	928341183	RDEOKIJCKLNTLK-JTQLQIEISA-N	321.808	3.890	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)c1ccccc1Cl)C1CCCCC1	1318121245	SBLGJQAWPPBMRA-LBPRGKRZSA-N	322.836	3.708	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2cc(C)sc2C)cc1	1328384491	LQYBTVWPMOVDMY-UHFFFAOYSA-N	302.399	3.528	50	20	DHGD	
C[C@@H](CBr)CN1CCc2ccc(Cl)cc2C1	1338204013	MSKKTCKQBKAYFK-JTQLQIEISA-N	302.643	3.729	50	20	DHGD	
Cc1ncccc1CC(=O)NN(c1ccccc1)c1ccccc1	1340938295	LJGOZYQOKCGFLY-UHFFFAOYSA-N	317.392	3.802	50	20	DHGD	
CC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccc(C(C)C)cc1	1776094893	RVTBNXUBTLPTHM-UHFFFAOYSA-N	324.380	3.662	50	20	DHGD	
CC(C)Oc1ccccc1/C=C(\C#N)c1nnc2n1CCCCC2	45299554	IKWVHHPUKVKLKQ-FOWTUZBSSA-N	322.412	3.856	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1ccc(F)cc1F	77004674	GTGZVBVFCPYQLI-UHFFFAOYSA-N	316.760	3.756	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc(OC(F)F)cc1	123140035	ZQNRUIGIZRNAJR-LLVKDONJSA-N	300.349	3.803	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2nc(Cl)ccc2Cl)c1	127673145	NDEVCIOVIYVBEZ-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCOc1cccc(NC(=O)NNc2ccc3ccccc3n2)c1	157298044	XAKPKTRTGWADFS-UHFFFAOYSA-N	322.368	3.782	50	20	DHGD	
Fc1ccccc1CO[C@@H]1CCC[C@H]1I	158419973	GRKZAKPHWVFBSO-VXGBXAGGSA-N	320.145	3.698	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	158770542	HUYYYJOMGSZAQH-GDNBJRDFSA-N	307.397	3.816	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OC2CCC2)c1	159196604	MRXHZJGYGZNWSO-UHFFFAOYSA-N	310.397	3.992	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cnc(-c2ccccc2)s1	171157715	ACOWPZARARHKPF-GXDHUFHOSA-N	311.410	3.633	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)NNc2ccc(C#N)cc2)c1	178939284	LDVHCYGBABPODR-UHFFFAOYSA-N	317.801	3.690	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2ccc3ccccc3n2)s1	181091268	AZYYGNAOGYYDOK-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)NC2CCCC2)c1OC(F)F	182059008	FDQOLJYKMZICNI-UKTHLTGXSA-N	320.339	3.562	50	20	DHGD	
CCC1=C(C(=O)NNc2ccc(C(F)(F)F)cc2)CCCO1	189672540	WJWDNKWTVRYUNX-UHFFFAOYSA-N	314.307	3.623	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1ccc(F)cc1	209918889	ULUVINFXTRKXOS-DHZHZOJOSA-N	302.255	3.650	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccccn1	252600418	DRBASIWPZASSAF-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1nc(C(C)C)oc1C	285785888	CJXAARNXEJLFBH-UHFFFAOYSA-N	301.390	3.734	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c1C	303356863	GJVGUQIYUFABQE-PXNMLYILSA-N	305.333	3.822	50	20	DHGD	
CCCN(N=Cc1c(C)nc2sccn12)C(=O)OC(C)(C)C	496292027	JRRZUBPLZJWOOF-UHFFFAOYSA-N	322.434	3.685	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCOc2ccccc21)c1ccccc1	731931326	FIHPZKUKEYYZKY-MRXNPFEDSA-N	322.408	3.873	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1sccc1C1CC1	734246882	LSIRJJSLUSONFI-UHFFFAOYSA-N	315.423	3.992	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCC[C@@H](C3CC3)C2)c1	737421633	VHAWVZKLIXTVDZ-MRXNPFEDSA-N	314.429	3.755	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(SCC(F)(F)F)cc1	741756189	DVDPLKUKHNZMAB-UHFFFAOYSA-N	316.348	3.591	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cncc(F)c1	741766018	OQDSRXROHTZFSJ-UHFFFAOYSA-N	320.755	3.728	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)c1c[nH]c2ccccc12	742487312	OFEVATWYTVAOJE-ZDUSSCGKSA-N	315.417	3.535	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2ccc(Cl)nc2)c1	743816342	QIUVXEBWHLUSEK-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
O=C(NN=Cc1coc2ccccc12)c1cc2c(s1)CCC2	746557198	UGAPPCKVYRRELU-UHFFFAOYSA-N	310.378	3.747	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cc(C(F)(F)F)ccc2F)o1	752174974	KMHAZXJLDSDAAG-UHFFFAOYSA-N	314.238	3.510	50	20	DHGD	
O=C(C=C1CCCC1)NNc1cc(C(F)(F)F)ccc1F	754149545	YBVHXEZMBORNLX-UHFFFAOYSA-N	302.271	3.788	50	20	DHGD	
Cc1c(NNC(=O)[C@H]2CCCC(C)(C)C2)cccc1[N+](=O)[O-]	756013390	WLEMFQHMLNUDCX-LBPRGKRZSA-N	305.378	3.563	50	20	DHGD	
Cc1cccnc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425136	KSLKQTCEAWPAAZ-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCCOc2ccccc2C)c1	760148035	YLQVWDPSEZYLBG-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1cccc(C(F)(F)F)c1	769604480	BMBZTZIGTMXZJW-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
Cc1noc(C)c1NC(=O)NNc1ccc(Cl)cc1Cl	769992874	GTOFZRFNVKBHNJ-UHFFFAOYSA-N	315.160	3.747	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cccc2cc[nH]c12	776063096	PCUBJLWCCVNQHG-UHFFFAOYSA-N	300.749	3.970	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2sccc2Cl)c1	780375385	WAUQDIYKULTVPW-JYRVWZFOSA-N	316.813	3.933	50	20	DHGD	
CC(C)[C@H]1CCC[C@H](NS(=O)(=O)CCCCCl)CC1	780847720	HZHZAKZFLZUEPE-KBPBESRZSA-N	309.903	3.530	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)NCc1ccc(F)cc1F	786051911	WSBUXTAOYMQWLU-DWFRYJRFSA-N	324.330	3.744	50	20	DHGD	
COc1ccc(Cl)c(NC(=S)NCCSSC)c1	789325061	LYYDKDALJQYSBZ-UHFFFAOYSA-N	322.908	3.646	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)o1	791729454	KTSDMPRTXPIUKY-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
CCC(=NN(C)C(=O)OC)c1cc(Cl)cc(Cl)c1O	794959741	PPKIGMRUNWZHOR-UHFFFAOYSA-N	305.161	3.511	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1nccc2sccc12	795102832	UHOQTYGCCYVOCQ-NWDGAFQWSA-N	303.431	3.956	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802022456	AAMQCHJHVZTWET-UHFFFAOYSA-N	311.813	3.565	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1sccc1Cl	802828384	ALFMXUWFCYUEGZ-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1	805376565	YFWVJEBSWNMPEJ-HNNXBMFYSA-N	313.357	3.540	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1F	812245090	NGKCYYSCKQTVHB-KPKJPENVSA-N	313.288	3.592	50	20	DHGD	
CCc1noc(C)c1C(=O)NNc1c(C)cccc1C(C)C	812765185	YOMZLGKFTDTDQK-UHFFFAOYSA-N	301.390	3.734	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccccc1F	812765234	AIDVDBCOBZAQDU-UHFFFAOYSA-N	300.377	3.943	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)c(F)c1)[C@H](C)CCCCC(=O)O	814906675	DUOWDNGMYIPTJL-LLVKDONJSA-N	322.380	3.521	50	20	DHGD	
CCc1nocc1CN(C)Cc1ccc(OCCCCl)cc1	816652218	DFYOPCCNGFBXEW-UHFFFAOYSA-N	322.836	3.877	50	20	DHGD	
COc1ccc(NNC(=O)C2CCCCC2)c(C(F)(F)F)c1	816701652	FMOJEWVVXFCUFG-UHFFFAOYSA-N	316.323	3.737	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(Cc3ccccc3)CCC2)cc1	817895943	JRDBDYUWONCZSP-UHFFFAOYSA-N	324.424	3.941	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1ccc(-c2ccccc2)nn1	826782970	PILRITBBPOKIKE-AWEZNQCLSA-N	312.417	3.659	50	20	DHGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1cc(Cl)ccc1Cl	828549166	KMZUXXAVMYKXNK-OIBJUYFYSA-N	320.245	3.514	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cc(C(F)(F)F)ccn1)C(C)C	832963262	UTWGQSFIESUBQJ-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1	837067410	ZLTJDGMTSAYSJC-JJULMGOSSA-N	312.413	3.521	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C[C@@H]2CCCOC2)C1	844337652	TUSKZIXHOSUPNF-JKSUJKDBSA-N	313.558	3.899	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NC[C@]2(C)C[C@H]2Br)c1	856810636	RCOIXJQIEXKDAZ-OCCSQVGLSA-N	311.223	3.598	50	20	DHGD	
C=CCC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCCCC1	857385660	KCQBXCPMGOWEIY-TZMCWYRMSA-N	314.267	3.803	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(OC(F)F)cc1)c1ccco1	860325903	OKKYBHSXRONKLI-SNVBAGLBSA-N	310.300	3.518	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(/C#N)C(=O)NCc2ccco2)c1	864363468	RDNKAMQOIYDZMO-GDNBJRDFSA-N	324.380	3.680	50	20	DHGD	
CC(C)n1cc2cc(NC(=O)NCC(Cl)Cl)ccc2n1	878822936	HASOJHWOEWUXIU-UHFFFAOYSA-N	315.204	3.542	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccn(CC(C)C)n1	897811635	IEFQBVREYUUQHM-UHFFFAOYSA-N	314.433	3.728	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cnn(C2CCC2)c1	899338751	MNNAXDVLUQICOI-SXGWCWSVSA-N	320.396	3.771	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)C1CCCC1	914836374	JCMAINTVIJFDSH-UHFFFAOYSA-N	300.333	3.726	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)c1	916281176	SCJYADOWMAVBOI-CABCVRRESA-N	313.445	3.829	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1ccc(F)c(-c2cccs2)c1	920828643	OQUTVIPXDVOHOI-UHFFFAOYSA-N	317.389	3.597	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1318973401	LPROHQPSYDXIPM-UHFFFAOYSA-N	306.454	3.824	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1ccc(C)c(Cl)c1	1322537774	YSJSUEGQHUTTRS-MRXNPFEDSA-N	317.820	3.982	50	20	DHGD	
O=C(N[C@H]1Cc2ccc(Cl)cc2C1)C1CCC(Cl)CC1	1348285016	VCEZAQLZJSGBKW-KHXKVGHRSA-N	312.240	3.721	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNc1ccccc1C(=O)O	1595667013	XFCYKBRDRZIEFG-QGZVFWFLSA-N	306.406	3.825	50	20	DHGD	
CCCOc1cc(/C=C(\C#N)C(=O)c2ccco2)ccc1OC	8200818	YIGJMUFLFRZWCL-GXDHUFHOSA-N	311.337	3.867	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	33338299	VFIUZXHZJRVZDT-SSZFMOIBSA-N	306.365	3.925	50	20	DHGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)NC1CCCC1	39412321	JKPNJLGQTMGJQZ-XFXZXTDPSA-N	308.303	3.671	50	20	DHGD	
Clc1ccc([C@@H](CBr)O[C@H]2CCOC2)cc1	82454947	ZBPWKOPZYFQBHG-NWDGAFQWSA-N	305.599	3.582	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ncccc3Cl)csc2C1	114882831	FZLFDSGPHAGPSR-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)Nc2ccccc2F)s1	123340588	HLCDMJLERPEKKT-XFFZJAGNSA-N	315.373	3.951	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(COC)o2)cc1	130295116	ANKSQKYNJNSCSF-GXDHUFHOSA-N	310.353	3.534	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	131715681	OBWQESFGOGYZOQ-ZDUSSCGKSA-N	323.318	3.737	50	20	DHGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1ncc(Cl)cc1Cl	132628258	KQUUPOZOQCLFAY-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
CC(C)(CCC(=O)NNc1ncccc1Cl)c1ccccc1	151745900	NGPYVZIIZKDING-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2ccc(F)cc2F)c1	152873453	BPFCZFPFVNZNCE-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1cccc(C(F)(F)F)n1	155831860	RHTKSLBTLCQPSX-JTQLQIEISA-N	315.339	3.760	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)Oc1ccccc1Cl	160902355	PVNWAHKNQNRXJZ-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	179493083	VMPCWSYIQDDBTD-NSHDSACASA-N	320.314	3.907	50	20	DHGD	
Cc1cc2cc(/C=C(\C#N)C(=O)Nc3ccncc3)oc2cc1C	180567712	LRLVQUVFZQGVOX-XNTDXEJSSA-N	317.348	3.990	50	20	DHGD	
C[C@@]12CC3CC(C(=O)NNc4ccnc(F)c4)(C1)C[C@](C)(C3)C2	182490939	RQIRGDZDKZBUJS-FGKMVVGBSA-N	317.408	3.660	50	20	DHGD	
COc1ccc(C)cc1NC(=O)NNc1c(C)cccc1F	183924538	YAIJTBDSGVWKGC-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cccc(F)c2)cc1	188607626	KMTIKGCRMXAQJQ-YDRQLGOLSA-N	324.355	3.619	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	255938430	BFLWNFJXNUEYJM-ATVHPVEESA-N	301.434	3.728	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@H](C(F)(F)F)C1	266565398	WMJLARGFIWOBQQ-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
CC[C@H](C)n1ncc(C(=O)NN(C)c2ccccc2)c1C1CC1	270428500	BZJCAUKRLHBVTR-ZDUSSCGKSA-N	312.417	3.513	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1scnc1C1CC1	491108278	XQYQNKQWAXBGOJ-LCYFTJDESA-N	303.431	3.624	50	20	DHGD	
O=C(/C=C\c1cccnc1)NNc1cc(Cl)cc(Cl)c1	493512303	FQXWBZRQEBQQAW-ARJAWSKDSA-N	308.168	3.545	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(Oc2ccccc2)c1	730940907	NUWOUODWTJPGFP-BUHFOSPRSA-N	308.337	3.861	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	734978107	SQYBDNVRNFAYLG-OLZOCXBDSA-N	306.381	3.665	50	20	DHGD	
CCc1ccc(COC(=O)/C(C#N)=C\c2ccc(OC)cc2)cc1	735336792	GYWSONHVIBBOGN-PDGQHHTCSA-N	321.376	3.908	50	20	DHGD	
Cc1cccc(CN(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)c1	750038892	LWPZQRZPHZJCKX-VCHYOVAHSA-N	307.353	3.900	50	20	DHGD	
CCCCCC=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	755562164	CEVFMXBISSGCKG-AWEZNQCLSA-N	306.406	3.535	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cccc21	763920952	NMROJTZIKAZFGS-PXNMLYILSA-N	309.300	3.661	50	20	DHGD	
C[C@@H](CCC(C)(C)C)NC(=O)NNc1ncnc2ccsc12	765789524	PJLURJZFSNVODZ-JTQLQIEISA-N	321.450	3.532	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	776259664	OETPHBVWFUDZAR-NTEUORMPSA-N	314.291	3.781	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)c1ccc(O)c(Cl)c1	782231265	JKJCAVIPMJOHFA-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCCCC1CCOCC1	790662760	DTEVORSRKXYIAK-GFCCVEGCSA-N	321.255	3.546	50	20	DHGD	
CCCN(N=C1[C@@H]2CCCO[C@@H]2C1(C)C)C(=O)OC(C)(C)C	794997559	YGXPMMGMIKGQTA-JSGCOSHPSA-N	310.438	3.825	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1ccccc1Cl	797947422	SHHCNZGUKORAFY-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1cccc2c1CCCC2	798982672	NKENMGJZDDZJNI-UHFFFAOYSA-N	316.445	3.605	50	20	DHGD	
CC1(C)CN(CCO[Si](C)(C)C(C)(C)C)[C@@H]1[C@H]1CCCO1	810027212	JJXJJDXNILDCAV-HUUCEWRRSA-N	313.558	3.898	50	20	DHGD	
N#C/C(=C\c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244120	DUKCNFHMEJYHIA-YRNVUSSQSA-N	317.251	3.655	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OC2CC(C)C2)c1C	813235030	UKTUSFBGWKOHRD-MHWRWJLKSA-N	300.402	3.764	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](C)C3)n[nH]2)cc1C	814876707	HZSOIWLNAPWPPK-LLVKDONJSA-N	310.401	3.599	50	20	DHGD	
CCOc1ccc(C(CC)=NNC(=O)CC2CC2)cc1OCC	814990488	RRLGRHHRTIJTTR-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cc(N)ccc1F	815005278	SYDPBORZBNBETP-UHFFFAOYSA-N	320.755	3.607	50	20	DHGD	
COCC[C@H]1CCCC1=NNC(=O)Nc1ccc(Cl)cc1	815005502	LWAJKWXPKZUJDP-LLVKDONJSA-N	309.797	3.654	50	20	DHGD	
CCOc1ccc(NNC(=O)C(F)(F)c2ccc(C)cc2)cc1	817925927	XECZOBQLMQBELJ-UHFFFAOYSA-N	320.339	3.629	50	20	DHGD	
COC(=O)c1cc(NNC(=O)C[C@@H](C)CC(C)(C)C)ccc1F	837034904	XDZWMLPIGPLDMI-LLVKDONJSA-N	324.396	3.518	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(Cc2cccc(Cl)c2)CC1	837649006	ZIHBXZTUSPNYGT-UHFFFAOYSA-N	306.620	3.583	50	20	DHGD	
CO[C@@](C)(C(=O)NNc1ccccc1Cc1ccccc1)C1CC1	846461945	QCFMPNCHMVIZLG-HXUWFJFHSA-N	324.424	3.536	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(C(F)F)nc1	847600171	FIQSFAFKPCIKHA-UHFFFAOYSA-N	317.339	3.655	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccc(N2CCCCC2)cc1	877925000	MQRDOFNHSXFXRX-UHFFFAOYSA-N	316.232	3.602	50	20	DHGD	
CCS(=O)(CC)=NC(=O)CCCC[C@H]1CCSS1	925898092	WZDORZKPNVERAP-NSHDSACASA-N	309.522	3.735	50	20	DHGD	
O=C(CSCc1cccs1)NNc1ccc(Cl)cc1	1253443596	YLFQNCSUSDNULQ-UHFFFAOYSA-N	312.847	3.778	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cc(C)n(C2CC2)c1C	1334516141	ATILJDKGSDGCGP-UHFFFAOYSA-N	301.365	3.644	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(C(=O)O)c1F	1605238260	SWCZLGDRMHSSBF-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)cc1C	1777433653	QRADKLBLMATORU-OVCLIPMQSA-N	323.323	3.931	50	20	DHGD	
CC(C)CC(=O)NNC(=O)c1ccc(C2CCCCC2)cc1	10160624	YIIXNRIXXSYFPC-UHFFFAOYSA-N	302.418	3.541	50	20	DHGD	
CSc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1	33295807	SMPUOPSPJOHYOK-KAMYIIQDSA-N	300.427	3.764	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)c1	44025819	YRYCFWLKEAMKET-MHWRWJLKSA-N	307.349	3.884	50	20	DHGD	
Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cn1	49198310	AVVMOIPNLYSIFH-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1ccnc2ccccc12	106925455	UPKGQIFUUWTNRR-GFCCVEGCSA-N	303.431	3.600	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@H]1c1cccc(F)c1F	119157466	XULQULBZXUDPNM-STQMWFEESA-N	320.314	3.659	50	20	DHGD	
Cc1cc(OC(=O)CCC(=O)c2cccs2)ccc1[N+](=O)[O-]	121063778	QMRIFQXFXOAPOK-UHFFFAOYSA-N	319.338	3.533	50	20	DHGD	
COc1ccc([C@H]2CCCN2C[C@H](C)CBr)cc1	133581788	YARGZHIVOJCSNT-IUODEOHRSA-N	312.251	3.863	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)n(C(C)C)c2C)c1	150773354	RYPWUNMWDCVPRH-UHFFFAOYSA-N	303.381	3.890	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C(C)(C)c2ccc(F)cc2)c1	158696943	KXKKAMBTMQXQPT-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1C#N	173017296	SGUOIXILMJWQSP-RIYZIHGNSA-N	308.362	3.727	50	20	DHGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1ccccc1	175052052	DVIWKMVQDVTLQJ-UHFFFAOYSA-N	304.777	3.886	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	178765368	HMRUVHDUZKUKAI-WZUFQYTHSA-N	314.282	3.524	50	20	DHGD	
O=C(NNc1ccccn1)c1cccc(Oc2ccccc2)c1	181170202	HLCOLDVLBBCCHN-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(CC1CC1)C1CCCCC1	188386626	RDMAZHPWKAXDTF-SFQUDFHCSA-N	324.424	3.870	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)/C=C\SCc2ccco2)c1	255440426	ORWGUUUPIZQTKG-ALCCZGGFSA-N	302.399	3.787	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1csc(C(C)(C)C)n1	269572919	CBIFYJLAIMFIBE-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)Nc1ccccc1	490911554	VIAAMMDUJXXLFT-DHZHZOJOSA-N	318.163	3.934	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	730151907	TWBYGDZLGDAOKI-WJDWOHSUSA-N	301.386	3.972	50	20	DHGD	
CC(C)CC(=O)NNC(=O)CC1CCC(c2ccccc2)CC1	730999899	AMEWLOQUZLSHLP-UHFFFAOYSA-N	316.445	3.544	50	20	DHGD	
CCCCC(CC)=NNC(=O)c1ccc(OCC)c(OC)c1	732923873	LLOAZGDMKVTTOI-UHFFFAOYSA-N	306.406	3.780	50	20	DHGD	
CCCC(=NNC(=O)COCc1ccccc1)c1ccccc1	737436453	CHSGVLQNAKYHMQ-UHFFFAOYSA-N	310.397	3.524	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)NNc2ccccc2Cl)cc1	746961924	CZUMOJFBXZBPJR-NSHDSACASA-N	319.792	3.736	50	20	DHGD	
CN1CCN(/C(=C/C#N)c2ccc(F)cc2)Cc2ccccc21	750609722	JFHBHFFGQLAMTE-VXLYETTFSA-N	307.372	3.642	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(Cl)nc(C)n1)C1CCC(C)CC1	764460886	BSIJEFDAYXSNCS-GDKBPFBDSA-N	324.856	3.734	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc2ccsc12	768299470	IHHHINVOUGGTFD-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C/C=C/c1ccco1	773095558	ZCJHQXRJYWPQPS-BALOPRFHSA-N	318.760	3.516	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1ccc(C(F)(F)F)cn1	775244620	BMIUXTPEOOINRZ-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@@H](C)C[C@@H]2C)cc1OC	783810977	RBILWJSZNNMMTD-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)c1ccccc1	787169142	MQDIXVCQFOXVFZ-LCYFTJDESA-N	311.724	3.828	50	20	DHGD	
C[C@H]1Cc2ccccc2N(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	787325205	JJGQKJUESLRXPT-FMNVXAMXSA-N	318.376	3.525	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1cc2ccccc2o1	790827588	DXQAVGXJTNMFJC-JTQLQIEISA-N	310.444	3.804	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)[C@H](C)c1ccc(Cl)cc1	794451731	BNOCRIIRBSEWSZ-NSHDSACASA-N	301.777	3.644	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C/C=C/c1ccccc1	794779826	OBNCNBJZXNHRSI-BYVOGZODSA-N	314.772	3.778	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1cccs1	794780417	UQVHQFXFPBYQSR-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(F)c3ccccc23)cc1	795195023	XIIFXRQWVBSSMZ-UHFFFAOYSA-N	305.312	3.607	50	20	DHGD	
C=C(CBr)COC(=O)c1cn(CC)c2ccccc12	795408829	DWOYTOONNGWTLE-UHFFFAOYSA-N	322.202	3.769	50	20	DHGD	
N#Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)ccc1F	797266321	KSZXJQRRPWGYPD-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cnn(-c2ccccc2)c1	797402580	HMFWIAKQYRSRAY-CABCVRRESA-N	324.428	3.804	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1nc(C2CCC2)cs1	799446383	NOEPYKHMDZYBGR-UHFFFAOYSA-N	306.366	3.698	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@H]21	803226503	XPUHNWDPTFEYIS-RRFJBIMHSA-N	316.449	3.650	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1	810197748	UQGHGPWYUUWZJJ-VXDMCVRGSA-N	322.408	3.607	50	20	DHGD	
CCCN(N=C1CCc2ccc(C#N)cc21)C(=O)OC(C)(C)C	811650349	WAVIZVVDYAILCB-UHFFFAOYSA-N	313.401	3.856	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cn(C)nc2C(F)F)c1C	812242189	SMWBIOLGBSHAOK-GHXNOFRVSA-N	315.323	3.764	50	20	DHGD	
CCCC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccccn1	814757212	RZDRUAOITDVEBA-UHFFFAOYSA-N	315.804	3.598	50	20	DHGD	
CN(NC(=O)c1ccc(-c2ccccc2C(F)(F)F)o1)C1CC1	819652022	YPAAFQZEOFRZCM-UHFFFAOYSA-N	324.302	3.704	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1ccc(OC)cc1	819876099	MBNULIGLHMYVMF-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC2(CCC2)[C@@H]1C1CCOCC1	823660536	MILPIOCOJQHJLN-ZVMFBBOGSA-N	308.425	3.832	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CSCC(F)(F)F)cc1	837052706	JQQBESDVMROHCS-UHFFFAOYSA-N	306.353	3.549	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCCCCC(=O)C1	885127704	WJQMXZAWPIQAIJ-GFCCVEGCSA-N	308.809	3.631	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(F)cc1F	899892870	OLCFNCVABWLJPW-UHFFFAOYSA-N	307.252	3.709	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2cccc3ncccc23)C1	901189003	JSBCIVSZWYRKAT-CYBMUJFWSA-N	313.426	3.626	50	20	DHGD	
N#Cc1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	913187759	PLQXGDJDNHNPCI-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
COc1ccc2cc(C=NNC(=O)c3ccccc3)ccc2c1	916249130	POIPYASJLWAXJD-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
CCOc1cccc2cc(C(C)=NNC(=O)CC(C)C)oc12	916343017	YSMPHMJMJWKLKA-UHFFFAOYSA-N	302.374	3.718	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ncc(-c3ccccc3)[nH]2)ncn1	1255999320	QUZFPEHBPGQNFC-QPEQYQDCSA-N	319.393	3.653	50	20	DHGD	
Cc1ccc(F)c(/C=C(/C#N)c2nc(N)c3ccccc3n2)c1	1321885941	HFMDZPZUAUMLKL-LCYFTJDESA-N	304.328	3.724	50	20	DHGD	
Cc1cccc([C@H]2CCCN2C[C@H](CBr)C2CC2)n1	1328757477	ZOHIMPZYIVPNML-GOEBONIOSA-N	323.278	3.948	50	20	DHGD	
CCN(C(=O)C1CCC(Cl)CC1)[C@@H]1CCOC(C)(C)C1	1347597259	SGCFLSDWEKLAQF-JXQTWKCFSA-N	301.858	3.590	50	20	DHGD	
Cc1[nH]c2ccccc2c1CC(=O)NNc1cccc(Cl)c1	45317769	JOKXYJCXZZULFQ-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Br)cc2F)c1	67979205	WEEHHBBOSHUIEJ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(OC)c1	103141350	SCFNBVSRAJCSMB-PTNGSMBKSA-N	322.364	3.640	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	105570535	NJFQTIMUQXJHNI-PTNGSMBKSA-N	307.374	3.858	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)NNc3ncccn3)CCCC2)cc1	108257048	UCTPRMYZDVZMGM-UHFFFAOYSA-N	324.428	3.555	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1ccc(Cl)cc1Cl	129913590	IGURSYCPTOAVHP-FPYGCLRLSA-N	324.192	3.996	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCCS1	130518604	KOMKBHPMKFYJFV-NEPJUHHUSA-N	305.534	3.712	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1c(F)cccc1Cl	131027784	PFPXGRJEIJEQBX-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
C[C@@H](CBr)CN(C)Cc1nc(-c2ccccc2)c[nH]1	134023753	YALXWKUKNDXXKT-LBPRGKRZSA-N	322.250	3.540	50	20	DHGD	
O=C(NNc1ccccc1)[C@@H](Oc1ccccc1)c1ccccc1	151263990	PUIQZAPOPWVKML-IBGZPJMESA-N	318.376	3.950	50	20	DHGD	
C[C@@H](CSCc1ccccc1)C(=O)NNc1cccc(F)c1	154595895	AYKNVQHBVZAYRX-ZDUSSCGKSA-N	318.417	3.838	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccc(F)cc1F	173143298	DYJPWEULQGAFKM-NSHDSACASA-N	322.330	3.816	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NNc1ccc(Cl)c(F)c1	175445618	SUQRBBKLECQRDR-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
C[C@@H]1CC(=O)CC[C@@H]1C(=O)NN(c1ccccc1)c1ccccc1	182873317	FAEZRZDOVQKTFB-BEFAXECRSA-N	322.408	3.861	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc3ccccc3o2)cc1	192539591	BSAFOIWADBXGRP-KAMYIIQDSA-N	318.332	3.987	50	20	DHGD	
C[C@@H](CCC(C)(C)C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194674579	IUTBOWHWBSVLMD-WZMONFQBSA-N	300.402	3.630	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3cccc4c3CCCC4)ccc2o1	281387449	BHTIJTRYRBVXPL-UHFFFAOYSA-N	321.380	3.772	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1C[C@@H](C(C)=O)C1(C)C	281778417	MUCJIMPHIMLHAF-CVEARBPZSA-N	316.445	3.642	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(C)nc1)c1ccccc1	490692689	HOBNAABWNUNPEC-PNDHZVEESA-N	305.381	3.565	50	20	DHGD	
CCn1c(C)cc(C=NNC(=O)c2cccc(Cl)c2)c1C	728225152	JUMFNXZIJMCQIW-UHFFFAOYSA-N	303.793	3.542	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc3ncccc23)c(C)c1	730147654	ZIWOPHDOJCPKPK-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CC[C@@H](NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1	732918007	YBVMKUSFGPZAGF-GOSISDBHSA-N	319.408	3.929	50	20	DHGD	
CC(CCc1ccccc1F)=NNC(=O)Cc1ccccc1F	734095965	DPBLHYRAJSFYBD-UHFFFAOYSA-N	316.351	3.632	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(Cl)nc1	743819662	WXVANHYWIYGVON-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	744513136	XRZKALBVSHQACU-UHFFFAOYSA-N	322.796	3.659	50	20	DHGD	
CCCCCC(C)=NNC(=O)c1ccc(CN(CC)CC)o1	746494765	SBXJJUPIBONIFI-UHFFFAOYSA-N	307.438	3.807	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2ccc(Cl)c(F)c2)c(C)c1	746695201	DFEMCCUKXDJXGU-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1ccc(Cl)c(F)c1	746701162	HGFUSNINZHZVEO-UHFFFAOYSA-N	318.779	3.654	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(OC2CCC2)cc1	748101837	IWLUWMKFHOAUTA-UHFFFAOYSA-N	300.333	3.514	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)s1)c1nc(-c2ccccc2)no1	748998074	JQPPNYNRLVEYDX-WQLSENKSSA-N	304.334	3.734	50	20	DHGD	
CC1(C)CCCC1=NNC(=O)c1cccc(Br)c1	749859849	UIOJGPJOBAMZQK-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C2CCCC2)[nH]n1	752411653	QMCYXMZAVOYSLC-ZROIWOOFSA-N	324.359	3.752	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc(Br)nc1	753796109	XMARSFAHUMJHRM-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1Br)c1ccncn1	758910160	DVLBANWNGRNDGS-BJMVGYQFSA-N	320.577	3.957	50	20	DHGD	
CC(C)CC(=NNC(=O)c1cccc(Cl)c1)c1ccccn1	760235337	MSTOEGCHYRFPJN-UHFFFAOYSA-N	315.804	3.915	50	20	DHGD	
CCc1cccc(NC(=O)NNc2ccc(F)c(F)c2F)c1	769925986	RBVBZHFCFPACMN-UHFFFAOYSA-N	309.291	3.815	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2ccccc2[N+](=O)[O-])c(C)c1	775411067	YAZLFZVHYRDLDN-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2cccc(Cl)c2)cc1	778565453	UDXSYXHPMBRJBI-ZDUSSCGKSA-N	302.805	3.970	50	20	DHGD	
CC1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCCCC1	780374149	MSDPSEIXBGGQTA-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	780529577	YMEPEQYJBSEOOA-MLPAPPSSSA-N	317.270	3.792	50	20	DHGD	
CC[C@H](c1ccccc1)N(CC)S(=O)(=O)CCCCCl	780748305	MFTZNRFNFXTKAV-OAHLLOKOSA-N	317.882	3.808	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(F)cc1F	781067154	RKSKWSKAYUMCBQ-SNVBAGLBSA-N	306.150	3.713	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)NC1CCCCC1	782196995	FCKIDTKNWBCFKD-WQLSENKSSA-N	306.768	3.835	50	20	DHGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)C(F)F	782236234	YQCIWUHCUHKKOD-UHFFFAOYSA-N	306.765	3.579	50	20	DHGD	
COc1cc(C)c(C(=O)/C=C/c2cnn(CCCl)c2)cc1C	783712449	GNHJGXOQSZHBKJ-SNAWJCMRSA-N	318.804	3.643	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]2CCCC[C@H]12	786941963	PHIKOLIHSHLKEM-LMQDHGAOSA-N	324.424	3.726	50	20	DHGD	
CCc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)c(O)c1	787133908	PQBDGDQAOCVZNY-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	787316815	ADJXQWGZZHGXFX-ZTUONRJZSA-N	312.413	3.630	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H]2CCCC[C@@H]2C)ccc1Cl	788848100	DNNIIXWMXIJQDT-GXFFZTMASA-N	311.813	3.553	50	20	DHGD	
CSSCCNC(=O)c1ccc(C)c(-n2cccc2)c1	791113875	OQHXKRVOIRDIDG-UHFFFAOYSA-N	306.456	3.527	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1ccc(F)cc1F	792259826	UKGUDNIVTMUSQQ-UHFFFAOYSA-N	322.380	3.731	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)CCc1ccccc1O	797402590	HWYWWCYPMDGOAA-ZIAGYGMSSA-N	302.418	3.643	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)CCCCC(C)(C)C)c1ccccc1	804366944	YJXYRSUOOVQAQA-INIZCTEOSA-N	318.461	3.934	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	807975961	IBVIVXIJWSUZHH-CYBMUJFWSA-N	310.401	3.599	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)CC(=O)Nc1ccccc1	808706465	KVLQIDRJDRQTSW-UHFFFAOYSA-N	322.525	3.579	50	20	DHGD	
C=C(CBr)CN[C@@H](COC)c1cccc(Cl)c1	808799611	ABKRRVIVDKBGKY-ZDUSSCGKSA-N	318.642	3.568	50	20	DHGD	
ClCCCOc1ccc(CNC[C@@H]2CCCSC2)cc1	811507738	MVJBGGYVHGCWJF-HNNXBMFYSA-N	313.894	3.927	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cccc(C#N)c1	815004587	KWVOERAJIGUALX-UHFFFAOYSA-N	312.760	3.757	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1cccc(C2CC2)c1	836504282	LOODDGWDOACNNG-CYBMUJFWSA-N	310.401	3.655	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)NOC1CCCCC1	838562817	YMOSGIMOGBNQOE-UHFFFAOYSA-N	318.204	3.884	50	20	DHGD	
O=C(NN=CCCCCOc1ccccc1)OCC(F)(F)F	853429397	KHNCGDUQXDWXJE-UHFFFAOYSA-N	318.295	3.510	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(C(F)F)nc1	857082885	RKURWIBNRLLKLQ-LJUAHTATSA-N	319.193	3.843	50	20	DHGD	
C#CCC(C)(C)C(=O)NNc1ccc(OCc2ccccc2)cc1	862518578	DQHOZJGXFTVFTE-UHFFFAOYSA-N	322.408	3.758	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(Cl)cc2F)cc1C	885108129	WOAMQECMLIPOMZ-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)C2CC=CC2)C1	891547376	XXGZLPQHQJLFGN-OAHLLOKOSA-N	309.526	3.965	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnn(CC3CCC3)c2)c1	899339872	WLEOLOYDTKIOFP-MFOYZWKCSA-N	320.396	3.537	50	20	DHGD	
C[C@@H](NC(=O)[C@@]1(C)C[C@H]1Br)c1cc2ccccc2o1	907634294	KWHSBFMJWFXZHH-PKPZWWHKSA-N	322.202	3.784	50	20	DHGD	
Cc1ncc(C=NNC(=O)c2cc3c(s2)CCCCC3)s1	917543801	OHKBHRBOMYIFGO-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
O=C(NN=C1CCc2c(F)cccc21)c1ccc(Cl)cc1	921252287	AWKIVFLZQJNRBM-UHFFFAOYSA-N	302.736	3.559	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccnc(C2CC2)c1	928337460	QZZIONNVYNNJQZ-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
Cc1cc(NNC(=O)c2cnn(CC(C)C)c2C)ccc1Cl	928341161	QLHYVGQCPCDPJL-UHFFFAOYSA-N	320.824	3.566	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1cnn(C2CCC2)c1	934303775	LJSWGAXSIOEGBB-UHFFFAOYSA-N	319.796	3.719	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2ccccc2C)cc1C(=O)OC	1116935798	OCDTYZJFKWMGMK-LCYFTJDESA-N	323.348	3.727	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1	1261210886	COSYVLTWMASWLI-PTNGSMBKSA-N	320.352	3.654	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CC[C@H]2CCOC2)C1	1326387674	KWVHFSVHQAJOJV-JKSUJKDBSA-N	313.558	3.899	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCCO[C@H](c2ccccc2)C1	1345894453	KNMUUGMZYYHFHP-JCYILVPMSA-N	321.848	3.774	50	20	DHGD	
CCC(C)(C)C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1	1549084665	UGROHCLSQLGCQR-HZPDHXFCSA-N	302.418	3.693	50	20	DHGD	
CC(C)(CCCCCl)c1nc(O)c2ccc(C(=O)O)cc2n1	1590664785	NRDMNEDGUWVQLT-UHFFFAOYSA-N	322.792	3.720	50	20	DHGD	
CC(CCCCCCC(=O)O)=NNC(=O)Nc1ccccc1C	1776035692	YLDKOXJFLKPWBV-UHFFFAOYSA-N	319.405	3.918	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	33561116	OVZMHUNCNQETLG-WQLSENKSSA-N	320.308	3.544	50	20	DHGD	
CN(C)[C@H](CNC(=O)c1cccc(CCl)c1)c1cccs1	40799386	DUURNPUJXXLBIK-CQSZACIVSA-N	322.861	3.520	50	20	DHGD	
CCC[C@H](C)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	109759276	CQZHRVVEZKXGQO-LBPRGKRZSA-N	322.474	3.604	50	20	DHGD	
O=C(CCc1ccccc1Br)NNc1ccccc1	111554929	NKBJDMCZPIEKPI-UHFFFAOYSA-N	319.202	3.525	50	20	DHGD	
Cc1cc(OC(=O)c2ccccc2OC(F)F)ccc1[N+](=O)[O-]	113195206	JTEWLACAIVRZRF-UHFFFAOYSA-N	323.251	3.724	50	20	DHGD	
N#Cc1cccc(NNC(=O)CCc2ccc3ccccc3c2)c1	152597709	NNQNLNADJQWTRX-UHFFFAOYSA-N	315.376	3.787	50	20	DHGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1cccc(F)c1	154856653	AEYLJQJQRLNKAT-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2SCCc3sccc32)c1	159311860	KPTUGRNXHRNABT-OAHLLOKOSA-N	318.467	3.839	50	20	DHGD	
Cc1cccn2c(/C=C(\C#N)c3nc4ccccc4n3C)cnc12	172691246	DKTVKMWEQYICIN-GXDHUFHOSA-N	313.364	3.594	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1	175227358	RQCVNCYGZNNUAC-KBPBESRZSA-N	302.324	3.520	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccncc1	175565536	NIJBHESHUOTEFO-CQSZACIVSA-N	322.771	3.652	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1cccc(C(F)(F)F)c1	191930431	XYMYAKQWFQHWFH-UHFFFAOYSA-N	316.323	3.544	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1	211589921	IXNDFSQQCZNVIZ-POHAHGRESA-N	304.708	3.926	50	20	DHGD	
CN(C(=O)/C(C#N)=C/C1=Cc2ccccc2OC1)C1CCCCC1	255485637	AFPKRMSMWIBTGN-SFQUDFHCSA-N	322.408	3.703	50	20	DHGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)[C@@H](C)CC)cc1OC	263682569	PEVOYEXUKGIFQP-ACLQVGRQSA-N	317.385	3.625	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)Cc3ccccc3F)C2)cc1	731320611	NYSQFZLRTCVZTF-UHFFFAOYSA-N	310.372	3.726	50	20	DHGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)C2CC2)cc1	741453236	NHTCIWQKXFNNEZ-UHFFFAOYSA-N	308.381	3.612	50	20	DHGD	
O=C(CCCOc1ccc(Cl)cc1)NNc1cccc(F)c1	748088365	VHOOGBATHNELHC-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
C[C@H](CCNC(=O)NNc1ccc(F)cc1)c1ccccc1	750336737	KJKBOOOHSFRTDE-CYBMUJFWSA-N	301.365	3.646	50	20	DHGD	
COc1ccc(NNC(=O)C[C@H](C)c2ccc(F)cc2F)cc1	752621387	CLLCPSVCHRBVNL-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761394895	XISQIFSGHNBFNJ-JXMROGBWSA-N	315.175	3.956	50	20	DHGD	
CCC1(CC)C(=NNC(=O)c2cc3ccccc3o2)C[C@H]1OC	762601868	CJHVLRLMXPJQQK-MRXNPFEDSA-N	314.385	3.744	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2ccc(Br)cc2)C1	762794407	FAFAWVDJNIMUIX-SPQRFVMMSA-N	309.207	3.639	50	20	DHGD	
CC(C)C[C@H](C)OCCC(=O)NNc1c(F)cccc1Cl	770197644	RTZTUMXLYJQFII-NSHDSACASA-N	316.804	3.764	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	779204405	RQKORFLPKUZYLQ-JTQLQIEISA-N	316.323	3.855	50	20	DHGD	
Cc1nc(NC(=O)[C@H](Br)C(C)(C)C)sc1C	781076719	WVYCMMPKTJWQDH-QMMMGPOBSA-N	305.241	3.508	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CCCCS1	783591212	XUSAMQKEXKFYBW-LLVKDONJSA-N	305.230	3.722	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2CCCC[C@@H]2C)cc1	783832742	TZVFGGXLMDTRCE-HOCLYGCPSA-N	302.418	3.556	50	20	DHGD	
Cc1ccc(-c2nc(COC(=O)/C(C#N)=C\C3CC3)co2)cc1	786673702	KLJVMGODUKBQKB-NVNXTCNLSA-N	308.337	3.553	50	20	DHGD	
Cc1cc(C)c(C(=O)[C@H](C)OC(=O)/C(C#N)=C/C2CC2)cc1C	786673746	LGOMDZKWDUIKNV-FSEGOYHTSA-N	311.381	3.586	50	20	DHGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787409565	OCKRHNMWSNZRGU-RIYRZUHRSA-N	312.413	3.630	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1cc(Cl)ccn1	790015909	QMUAYWDTZLXFJB-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
CSSCCNC(=O)c1cc2c(C)cc(C)nc2s1	791152846	QKIHDBOTKKMKTL-UHFFFAOYSA-N	312.485	3.654	50	20	DHGD	
C=C(CBr)CN1C[C@H](c2ccccc2C)OC[C@H]1C	791470925	IQIRJJOXLKPMMK-GDBMZVCRSA-N	324.262	3.708	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(C2CCC2)cc1	792405703	CPZLYGUKNBMPQP-UHFFFAOYSA-N	306.369	3.587	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1ccsc1	794935979	BXBLWSZGWDQNRT-MKMNVTDBSA-N	311.362	3.853	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C)cc1-c1ccnn1C	801648085	NJVFALGRGCMMST-DSQDWWTGSA-N	307.397	3.918	50	20	DHGD	
COc1cccc(C2(C(=O)NNc3ccc(Cl)cc3)CC2)c1	807120764	QECCQBJYSDPHSP-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
Cc1ncc(CNC(=O)NNc2c(C)cccc2C(C)C)s1	813044424	BSIDHQDNUWEZQQ-UHFFFAOYSA-N	318.446	3.710	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCC[C@@H]1CCCO)c1ccccc1	814845805	WHHCRLRBCXPYCB-SJORKVTESA-N	316.445	3.615	50	20	DHGD	
N#CSCCCNC(=O)CCCc1csc2ccccc12	819699097	SQDIMWDGKCUXGW-UHFFFAOYSA-N	318.467	3.945	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CC(CC(F)F)C1	819726315	SYVIUUDQFFAIOK-NSHDSACASA-N	309.447	3.814	50	20	DHGD	
CCCCn1ncc(NC(=O)NNc2cc(F)ccc2C)c1C	822049731	HUYZCVBTOWPMFK-UHFFFAOYSA-N	319.384	3.588	50	20	DHGD	
COC(=O)/C=C/c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)o1	848640202	JCHUUUXTCYLEFD-QDCWQMMGSA-N	313.353	3.522	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NC[C@@]2(C)C[C@H]2Br)c1	856810637	RCOIXJQIEXKDAZ-TZMCWYRMSA-N	311.223	3.598	50	20	DHGD	
BrC[C@H](CN1CCC[C@@H]1c1cccnc1)C1CC1	859210654	MJDNAIHQYCQTKJ-HUUCEWRRSA-N	309.251	3.640	50	20	DHGD	
Cc1csc(C(=O)NN=C2CC(c3cccc(F)c3)C2)c1	863155515	NSBXGXKDTXIEQI-UHFFFAOYSA-N	302.374	3.859	50	20	DHGD	
Cc1csc(C(=O)NN=C2CC(c3cc(F)cc(F)c3)C2)c1	863157355	YYMZPSNXXRGECB-UHFFFAOYSA-N	320.364	3.998	50	20	DHGD	
Cc1nc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)[nH]c1C	878939183	NCICDDMFAWQMJB-AWEZNQCLSA-N	309.530	3.623	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)c1cc2c(s1)CCCC2	885146353	VASAUEIADBSOQY-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1ccnn1C(C)C	902921784	ALRPZJIZZSCKKJ-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CO[C@H]1CCCCC1=NNC(=O)c1cc2c(s1)CCCCC2	915956472	UGQKYMBVNWADOH-AWEZNQCLSA-N	320.458	3.692	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)C1C[C@H]2CCC[C@H](C1)C2	1116801893	OJFVGCLPZFAPHR-UWVGGRQHSA-N	312.335	3.763	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1ccc(C(C)(C)C)nn1	1320141095	IVPCBMFCGQOZHU-GFCCVEGCSA-N	306.454	3.680	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1605267061	XCQTZVBVFXZSFY-GFCCVEGCSA-N	324.396	3.964	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1F	8199065	IDNBNWMTHJJQBS-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1OC	101800139	GFEVDEZBQFCZAQ-ZSOIEALJSA-N	317.385	3.625	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc(C(F)(F)F)cn1	131783822	SRXRUUKRXDWEAZ-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2c(Cl)cccc2Cl)O1	133151638	IFACMRXAAZHXGU-ZJUUUORDSA-N	317.216	3.784	50	20	DHGD	
CC[C@@](C)(NC[C@H](C)CBr)c1nc(C)cs1	134001999	VJZKECUXYGLVMM-BXKDBHETSA-N	305.285	3.697	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc2ccccc2c1	153215078	UBOUPKQZURDCIM-UHFFFAOYSA-N	322.324	3.897	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2C)cn1	154242360	XLZKAUZTAMUKJQ-ZSOIEALJSA-N	311.772	3.898	50	20	DHGD	
ClC[C@@H](Br)[C@H](CCl)OCc1ccccc1	158132638	LDLUQWSHLINSBI-MNOVXSKESA-N	312.034	3.813	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2Cl)nc2ccccc12	158370463	ZUDYYYZDYOBWOA-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@@H]2c2sccc2C)c1	159210953	LAUOLAOCXIRGCT-KBPBESRZSA-N	300.427	3.920	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1Br	162490902	HGKLTHMGIZSJIZ-WUXMJOGZSA-N	308.175	3.616	50	20	DHGD	
O=C(CCCc1ccccc1)NNC(=O)CCCC1CCCC1	173035018	XTLYONRMOCIOBS-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
C[C@H](CBr)CN1C[C@H](C)O[C@H](c2ccsc2)C1	248697247	JZIUHCKCYAKNHQ-MDZLAQPJSA-N	318.280	3.541	50	20	DHGD	
O=C(NN=Cc1ccccc1Cl)c1cccc2ncccc12	730146458	XAURXQMNBACNHF-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)C1CCC1	731936176	KGWVCTFOGDNHCR-UHFFFAOYSA-N	312.335	3.930	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2cc(F)c(F)cc2F)cc1	734659705	DKDBLPWEUNBTFR-JTQLQIEISA-N	323.318	3.800	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)C(C)(C)c3ccccc3)c2c1	735615448	MYHGDPCDEHZPNZ-UHFFFAOYSA-N	319.408	3.904	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-c2ccncc2)cc1	745194949	FDHFUQUIPJBPCL-UHFFFAOYSA-N	321.302	3.541	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)n1	747604879	IVTLJBPWLHZFBR-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccccc3Cl)CC2)c1	748292118	MBXXLJYXBYVZML-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccnc(F)c1	748707242	ZNSNHWYXXDRQMC-UHFFFAOYSA-N	307.328	3.704	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccccc3C#N)n2)cc1	755581081	LHTUKOHQYGBPEL-YVLHZVERSA-N	312.332	3.981	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cc(Cl)ccc1O	770196976	BOSZJRZNFLRYIO-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)OC[C@H](C)CBr	770358011	IRIDGOHOYHZEOS-MRVPVSSYSA-N	321.598	3.536	50	20	DHGD	
C[C@@H](CBr)CN(Cc1ccc(F)cc1)C1CC1	770644494	KLBVZRHNITZZSN-NSHDSACASA-N	300.215	3.821	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCC(C)(C)c1cccs1	771322123	CBXCMXCLGOAJJV-UHFFFAOYSA-N	321.421	3.800	50	20	DHGD	
C[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	785760095	UXHMEBIMGGMORD-URBNMHANSA-N	300.377	3.818	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)c3ccc([N+](=O)[O-])c(C)c3)cn2c1	789146732	BWLDNCCMBPQTKL-OVCLIPMQSA-N	318.336	3.924	50	20	DHGD	
CSSCCNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1	791100235	OLFZTQYMQJKZBO-SECBINFHSA-N	323.405	3.936	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCCCC12CCCC2	794659379	SJPYQODZDMDEFS-IYICPGQYSA-N	324.424	3.918	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCC(F)(F)C1	795339383	KNXCPSKLKNWWHR-ZETCQYMHSA-N	309.143	3.872	50	20	DHGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccoc1	798230347	PSBSMDCEZJXGSR-GHXNOFRVSA-N	307.334	3.588	50	20	DHGD	
O=C(NNC(=O)C1CCCCCCC1)Nc1ccc(Cl)cc1	802017735	YMTGMKVRCXOKRS-UHFFFAOYSA-N	323.824	3.853	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(C1CCC1)C1CCC1	805384586	IELVIAAYYAPRHM-UHFFFAOYSA-N	317.389	3.563	50	20	DHGD	
CC(C)(CC(=O)NNc1nccnc1C1CCC1)c1ccccc1	805466234	ZKPVRRRCCUAVPO-UHFFFAOYSA-N	324.428	3.555	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ncc(-c2ccccc2)s1	811640007	LNWCLCBBZZGPQC-UHFFFAOYSA-N	313.426	3.841	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc2c(c1)CCO2	812765870	YGNLQEQXBBUJGO-UHFFFAOYSA-N	324.424	3.739	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1cccc(C(F)(F)F)c1	813420628	OVUACGFRXPLEFD-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1nc2ccccc2n1C	816577611	SJBCIXGRPSYYJE-ZDUSSCGKSA-N	302.422	3.623	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NCC(Cl)Cl)cc1	816605095	KZJICBFTSMYTQG-UHFFFAOYSA-N	304.217	3.645	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1	817895801	HEVLOBORYDNVFO-SHTZXODSSA-N	304.434	3.991	50	20	DHGD	
Cc1conc1C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	825255538	VVOXOIBJBNFSJX-ZDUSSCGKSA-N	324.497	3.609	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2cccnc2Cl)c(C)c1	830791823	OBNPXZDUBDXBQG-UHFFFAOYSA-N	317.820	3.736	50	20	DHGD	
CSSCCNC(=O)C1(Cc2cccc(Cl)c2)CC1	831982066	RRALKKYDOABEBH-UHFFFAOYSA-N	315.891	3.790	50	20	DHGD	
CCCOc1cc(/C=C(/C#N)C(=O)C(C)(C)F)ccc1OC	834447779	RVHCLFLZKDJKMY-LCYFTJDESA-N	305.349	3.708	50	20	DHGD	
C[C@H](CC(C)(C)O)OC(=O)CCCC[C@H]1CCSS1	835428774	LZVXLNDEEFHCKC-NEPJUHHUSA-N	306.493	3.793	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccnn1C1CCCC1	836933714	NMMQHSRUYLWWOI-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(Cl)c1Cl)C(F)(F)F	838350317	UJTJKKRTVSWHDN-RXMQYKEDSA-N	301.095	3.635	50	20	DHGD	
Cn1cc(C(=O)NN=Cc2ccc(Cl)s2)c2ccccc21	839407942	WTAXBEIFCXIJJS-UHFFFAOYSA-N	317.801	3.657	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc2nonc12	847183317	YCEXNYCOSYCVCD-JTQLQIEISA-N	323.443	3.875	50	20	DHGD	
CN1C(=O)Cc2cc(OCCO[Si](C)(C)C(C)(C)C)ccc21	853692544	BGNHMUFQCGAVMX-UHFFFAOYSA-N	321.493	3.606	50	20	DHGD	
CCCc1ccc(/C=C(\C#N)C(=O)NCCCOC(C)C)s1	856720845	UIOUNFOLPMKBJQ-SDNWHVSQSA-N	320.458	3.539	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccccc1N(C)C	857083515	XYQQWTPHLNKJRU-NILFDRSVSA-N	311.267	3.577	50	20	DHGD	
CC(=NNC(=O)NCc1ccco1)c1oc2ccccc2c1C	920826590	ZVSNZUHNASOQGU-UHFFFAOYSA-N	311.341	3.558	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C3CC3)nc2C)cc1Cl	1117743591	JFJPGYLDHNGNSJ-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
COc1ccccc1C1(C(=O)NNc2cccc(C)c2)CCC1	1318366250	YOHUYTZDNUXZTA-UHFFFAOYSA-N	310.397	3.569	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCC2CCCCC2)nn1	1339252243	LORNNHQQWSAZJR-UHFFFAOYSA-N	304.438	3.578	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccc2c(c1)C(=O)CCCC2	1352935487	NUOIRNRERYNIKE-UHFFFAOYSA-N	315.200	3.521	50	20	DHGD	
CC(C)c1nc(C(=O)NNc2ccnc3ccccc23)cs1	106924010	MKFMNWFJXKUFBX-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1	132438779	ZYLCQKFDHIPFED-GDNBJRDFSA-N	310.328	3.518	50	20	DHGD	
C/C(=C\C(=O)NNc1ccccc1)c1ccccc1OC(F)F	175523286	CWAGUJMVGSVMCX-VAWYXSNFSA-N	318.323	3.835	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21	179706263	MBOUTMABPIGOBC-FXFXYLOPSA-N	312.413	3.748	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(F)cccc2F)c1	209994670	VPHAVYIYEKORCC-FLIBITNWSA-N	314.291	3.519	50	20	DHGD	
COC(=O)c1ccc(CN(C)/C(=C\C#N)c2ccc(F)cc2)cc1	254989826	LOVPJAQABVJYEJ-WQRHYEAKSA-N	324.355	3.609	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	255044654	IXLVRZJMAPGZKQ-SFQUDFHCSA-N	318.376	3.730	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	255572423	XWOIEBFLQUWLAO-WJDWOHSUSA-N	307.397	3.999	50	20	DHGD	
CCOC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12	263627573	RFLYNHQNQYDULB-UHFFFAOYSA-N	321.380	3.770	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1cccc(F)c1	269592823	RJXXIDUCPKPYHJ-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(Cl)cc2)n1	269633712	MFGCAFJDPKPLHY-UHFFFAOYSA-N	306.797	3.655	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN(CCC#N)Cc1ccccn1	278720510	VAVSKLSWSQLXNF-UHFFFAOYSA-N	319.525	3.819	50	20	DHGD	
C=C(CBr)CN(C)[C@@H](C)c1sc(C)nc1C	279592838	DOSDQIXHTOPGHN-JTQLQIEISA-N	303.269	3.704	50	20	DHGD	
CCCCCCCC(=O)NNc1ccc2c(O)nccc2c1	285570822	CRUPYMBTNPTMAH-UHFFFAOYSA-N	301.390	3.744	50	20	DHGD	
Cn1nccc1[C@@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1	377587044	LOYHDFXYFXSHNC-OAHLLOKOSA-N	323.557	3.621	50	20	DHGD	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1F	490911681	VQFIRPUZNZSQIK-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1ccsc1	588579969	ZYMUFMHPRDZUMC-UVTDQMKNSA-N	305.362	3.724	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)c1ccc2ccccc2c1	727674215	MKDUHQQDKUWTRQ-AWEZNQCLSA-N	312.413	3.673	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)Cc1ccsc1)c1ccccc1	731931896	SUDKPNCUTDWISJ-MRXNPFEDSA-N	300.427	3.977	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNc1cccc(Cl)c1	732550996	ZLZZRBKRKFWHQZ-CYBMUJFWSA-N	314.816	3.978	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H]2CC2(C)C)c1C	732798056	URQWVRVXACCORZ-JDZKTDJGSA-N	313.445	3.584	50	20	DHGD	
Cn1cccc1C(=O)NN=C(CC(C)(C)C)c1ccc(F)cc1	734296803	OKSCTNAEGBKOGX-UHFFFAOYSA-N	315.392	3.735	50	20	DHGD	
CO[C@@H]1CCCCC1=NNC(=O)Nc1ccc(C)cc1Cl	741765498	DPIIQQJDWQGESD-CQSZACIVSA-N	309.797	3.715	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)Cc1ccc(Cl)cc1	742480546	RMPHEYZJDDCTKG-CYBMUJFWSA-N	324.852	3.636	50	20	DHGD	
CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2ccc(N)cc2)CC1	746559650	XJEHFDJIRQUDAO-CQSZACIVSA-N	301.434	3.981	50	20	DHGD	
CC(C)[C@@H]1CCCC1=NNC(=O)[C@@H](C)Oc1ccccc1F	747742600	WWEPPYGDNKBJEK-OLZOCXBDSA-N	306.381	3.521	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(F)cc2Br)CCC1	748081443	ZDYDWTHKGBJNBD-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccc1Cl)C(=O)c1ccccc1	748301861	KGEYKIIXSKIQGT-GFCCVEGCSA-N	316.788	3.692	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)CNc1ccccc1	756870159	GUTBRTKXFDRCLI-UHFFFAOYSA-N	315.804	3.519	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@@H]2CC[C@H](C)C2)c(Cl)c1	759490564	RQYBMRVJYGNCSK-CMPLNLGQSA-N	323.824	3.627	50	20	DHGD	
O=C(NNc1ccccc1Cl)NC1CCC(F)(F)CC1	761776700	VFXFLCOJFVEGDL-UHFFFAOYSA-N	303.740	3.544	50	20	DHGD	
CC(C)(C(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCCC1	767084694	UOQIRHHRKLMOPW-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccccc1OC(F)(F)F	767179677	GYXOZDHNZHZVFB-UHFFFAOYSA-N	322.286	3.658	50	20	DHGD	
COc1ccc(NC(=O)NNc2c(F)cccc2Cl)c(C)c1	771140955	OAKZFBOWWPHUFR-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cc(F)cc(Cl)c1	775675161	OTAIDBGTKSQJHQ-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CC(C)[C@@H]1CC(=NNC(=O)c2cccc3ccccc23)CCO1	776772209	NFBDYUXILYHGBG-SFHVURJKSA-N	310.397	3.761	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@H](C)[C@@H]2C)cc1OC	781122303	SDLYQXMAVZFZAK-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
CC(C)CC(CC(C)C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787316788	DKOCMJQVOYVBTQ-WJDWOHSUSA-N	314.429	3.876	50	20	DHGD	
C#CCC1(C(=O)OC[C@@H](C)CBr)CCCCC1	788218561	PKHULUGJBQOMNM-LBPRGKRZSA-N	301.224	3.534	50	20	DHGD	
CCOCCC=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	788422679	JHNCREBUVLNUTK-UHFFFAOYSA-N	320.389	3.696	50	20	DHGD	
CC1(C)Cc2cccc(NC(=O)NNc3ccccc3F)c2O1	789395100	LBNWOMYJGANHRG-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](C)c2cccs2)ccc1Cl	790189999	WVFQBURPXCFRQJ-VIFPVBQESA-N	310.806	3.657	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccnn1-c1ccccc1OC	797405809	INCBDHZFBMDKIN-UZFBZYOGSA-N	323.396	3.793	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCCc2sccc21	798047227	PRZVGADXMVEIJK-SDNWHVSQSA-N	324.405	3.730	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC2(C)C)c1C	805323409	NIJPOPUISBOEHO-ZFOVBUMHSA-N	313.445	3.727	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccccc1OC1CC1	806987610	OFTHVMNFYRHHHE-UHFFFAOYSA-N	320.751	3.777	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(C(F)(F)F)cc(Cl)n1	810020074	VUZNLXQINYHDHZ-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CSSCCNC(=O)NCc1ccc2sccc2c1	811915603	HVESOQZETUAXDB-UHFFFAOYSA-N	312.485	3.712	50	20	DHGD	
N#C/C(=C/c1ccc2cnccc2c1)c1ccc([N+](=O)[O-])cn1	812244428	BEABCBPIKBIOTL-NVNXTCNLSA-N	302.293	3.602	50	20	DHGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819748269	ZEAYTFCPRXGVJN-PSASIEDQSA-N	302.205	3.514	50	20	DHGD	
CC(C)COc1ccccc1/C=C(\C#N)C(=O)C1CCOCC1	834437809	BNVWYGCDYCXRCL-GZTJUZNOSA-N	313.397	3.624	50	20	DHGD	
COc1cncc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1	852524193	OYJGNHFLXJHTKW-HNNXBMFYSA-N	322.525	3.686	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC(=C3CCC3)CC2)n1	853283392	NYSDLQWGHIRGDJ-UHFFFAOYSA-N	303.431	3.521	50	20	DHGD	
Cc1cc(=NNC(=O)c2ccc(C(C)(C)C)c(Cl)c2)cc[nH]1	862513871	MYKSKNJSBXRJDW-UHFFFAOYSA-N	317.820	3.520	50	20	DHGD	
CC(C)(C)C(=O)NN=C/C(Br)=C\c1ccccc1	864238848	PZUFGHXFLAHKIV-UFFLFGQOSA-N	309.207	3.571	50	20	DHGD	
N#C/C(=C/c1cccnc1Br)C(=O)C1CCCCC1	865222621	YTPYASPEXXSOML-LCYFTJDESA-N	319.202	3.900	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1F	915922512	SHPJIHLLPGECEG-UHFFFAOYSA-N	321.355	3.836	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)CC(C)(C)C	916726369	MCGKCNYAWNAVIN-NSHDSACASA-N	310.825	3.563	50	20	DHGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)c1nc2ccccc2[nH]1	1123902703	SWGSQWBEYBHSAT-UNXYVOJBSA-N	305.809	3.538	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)cc1Cl	1320250096	UXFUYEZHQCRBDY-CZUORRHYSA-N	324.852	3.933	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	6854272	DCBAMSDRTPTIDO-LDADJPATSA-N	320.392	3.699	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2)c1	16411210	VYVRKUOFBOHMEX-FOWTUZBSSA-N	304.349	3.797	50	20	DHGD	
Cc1ccccc1-c1cccc(/C=C(/C#N)C(=O)NC2CC2)c1	105356840	YSKNCDFWUDLRHP-ATVHPVEESA-N	302.377	3.848	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ncccc3Cl)cc2C1	114882779	FLRRFOCEXCMDMR-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@@H]2c2cccc(F)c2F)c1	159311035	WVDIEKVBRGLOER-KGLIPLIRSA-N	316.351	3.828	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)cc1	184839705	HIOHPZLFJPYCIX-YBEGLDIGSA-N	305.333	3.556	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	191759219	MJIYVVJCHNGMEN-FOWTUZBSSA-N	319.426	3.697	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)ccc1O	255066071	WNKWNVACUVXYKD-ZSOIEALJSA-N	319.316	3.937	50	20	DHGD	
COc1ccc2sc(C(=O)N3CC=C(C#N)CC3)c(C)c2c1	271122978	OMJNYLBVYKUVRZ-UHFFFAOYSA-N	312.394	3.514	50	20	DHGD	
C=CCOc1ccc(C=NNC(=O)OC(C)(C)C)cc1Cl	727250898	ZXKKKKWUZKSAHT-UHFFFAOYSA-N	310.781	3.763	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(Cl)cc1)c1ccncc1	741450950	HMJAWFJPLFZAKN-OAHLLOKOSA-N	313.788	3.789	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1	743055582	GGLBXGBCBNJNGC-OJNRTJSBSA-N	307.353	3.791	50	20	DHGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)NNc2ccc(F)cc2)c1	745878134	JVKRLPLKEPPLSI-AWEZNQCLSA-N	315.392	3.700	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3cc(F)ccc3s2)cc1	746886126	JATBGWGVALZYRR-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	747033039	BTEJWFJMAISZFK-GXDHUFHOSA-N	322.355	3.891	50	20	DHGD	
CC(C)C(=O)NN=C1CCCc2nc(-c3ccccc3)sc21	747046051	UBNKUOWJZZXYEM-UHFFFAOYSA-N	313.426	3.623	50	20	DHGD	
CC[C@H](C)c1ccccc1OCC(=O)NNc1ccccc1F	748056707	NSJIVQPHZHTAHH-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
Cc1ccc(O)c(C(=O)NNc2ccc(Cl)cc2Cl)c1	749259987	NILAJSRFNVTKAX-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)CC1(C)CCCCC1)c1ccccc1	753145439	FUIXWDPJCXDJFO-MRXNPFEDSA-N	316.445	3.688	50	20	DHGD	
CC(C)(C)[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	753229850	RYFFCLLHTIDTFW-LTBFUDJGSA-N	300.377	3.627	50	20	DHGD	
Cc1cccc(C)c1COC(=O)/C(C#N)=C/c1ccc(O)cc1	754548445	DMLRLVXAKISUPB-MHWRWJLKSA-N	307.349	3.659	50	20	DHGD	
CS[C@H](C)CC(=O)NN=C(c1ccccc1)c1ccccc1	756909216	QARQQPJOEGMSNZ-CQSZACIVSA-N	312.438	3.697	50	20	DHGD	
CC#CCNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	762708103	WTHYGHHKHFGWAT-AQTBWJFISA-N	323.440	3.657	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)C1	762817454	IHDBWJCCSOINCX-PAKSIRSJSA-N	323.318	3.767	50	20	DHGD	
COCc1ccc(C=NNC(=O)Nc2ccc(C)cc2Cl)o1	764689385	AQHMWBKXVWXEJF-UHFFFAOYSA-N	321.764	3.543	50	20	DHGD	
C[C@H]1Cc2ccccc2CN1C(=O)[C@@H](Br)C(C)(C)C	768188312	UKNNDHVJKXATKS-SMDDNHRTSA-N	324.262	3.769	50	20	DHGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)c1ccccc1	768486697	OMFJEZQAIGDUNT-UHFFFAOYSA-N	301.349	3.513	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H]1CCCc2sccc21	770404117	OURVQHCIOVOTSY-ONGXEEELSA-N	317.248	3.742	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNc1c(C)cccc1F)CC2	771319846	OXBJGHPRTUYFID-MRXNPFEDSA-N	313.376	3.756	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1F	772172554	TYEFBJPHHIPPEE-ZSOIEALJSA-N	312.319	3.821	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(C#N)cc2F)ccc1[N+](=O)[O-]	774562440	VMMHPQWZAXBBIE-AUWJEWJLSA-N	323.283	3.678	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccccc2Br)C1	782016710	JJJCILFOFIXDAA-JTQLQIEISA-N	311.223	3.719	50	20	DHGD	
C[C@@H]1Cc2ccccc2N(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	787325208	JJGQKJUESLRXPT-SWEABUAFSA-N	318.376	3.525	50	20	DHGD	
O=C(NN=C[C@H]1CCCSC1)c1cc2c(s1)CCCCC2	794886607	BCQHPRJVMDEXND-GFCCVEGCSA-N	322.499	3.876	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CSc1ccccc1	799755902	MSWLMIIBLDXXDM-UHFFFAOYSA-N	300.427	3.793	50	20	DHGD	
C[C@H]1CC[C@@H](C=NNC(=O)Nc2ccc(OC(F)F)cc2)C1	800812255	AKQDBINSNSIWME-WDEREUQCSA-N	311.332	3.832	50	20	DHGD	
N#Cc1ccccc1-c1ccccc1C(=O)NCC(Cl)Cl	808131021	NLNUJOBZGILSGU-UHFFFAOYSA-N	319.191	3.759	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1csc(-c2cccs2)n1	808248524	MVSPWJYSFJPESS-UHFFFAOYSA-N	321.254	3.747	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCCN2c3ccccc3C[C@H]2C1	810051946	PRLGVOCXYRDUKG-ATASCALFSA-N	315.420	3.688	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)nc1	810666344	OLZSWUYMRYRHRF-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811627787	GYTNQYIMYXZDRE-UXBLZVDNSA-N	316.348	3.980	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cn1	812245906	ZZYVWNYPIMWYQH-IQQCYWCCSA-N	313.263	3.888	50	20	DHGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819746620	DFWQKKNCVZKJDW-WCBMZHEXSA-N	302.205	3.658	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cnn(C(C)C)c2)c(Cl)c1	836440645	NASHEAKETOSDJW-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2ccccc2Br)CC1	836780193	YADWDQOERKGMFK-SNVBAGLBSA-N	309.207	3.639	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c(Cl)c1	836937976	SWVIFQAMYGHPLI-SNVBAGLBSA-N	320.824	3.625	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@@]1(C)CC1(Cl)Cl	838158981	SBRFNHAFPUELQF-APPZFPTMSA-N	318.038	3.535	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@H](C)c1nccs1	838551577	ZRGMLAMWDMKHLH-SNVBAGLBSA-N	324.837	3.535	50	20	DHGD	
CCCCOCC(=O)NNc1ccccc1Oc1ccccc1	846463929	SQWALARCDLVKFX-UHFFFAOYSA-N	314.385	3.739	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C)CC=CC2)c1C	847157900	SOXAERPYFBTNBQ-SFQUDFHCSA-N	311.429	3.647	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCC[C@H]1c1ccccc1	855466791	XTSHBTAZAALCMS-GJZGRUSLSA-N	315.804	3.762	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2cccc(C(F)(F)F)n2)c1	857132806	AINKDWFVKKDPQH-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2nc(C(C)(C)C)cs2)o1	915863952	UVDVISMILSPGGJ-XFFZJAGNSA-N	315.398	3.888	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc(C)n(-c3ccccc3)c2C)o1	915906481	OHEOKULGTVSCSD-UHFFFAOYSA-N	321.380	3.759	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)Cc2ccccc2OC)cc1	916329402	HYSDSCBVWLRYEY-UHFFFAOYSA-N	310.397	3.606	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)cc1	1327797360	HKFRDHRJPMGCAV-MRXNPFEDSA-N	308.381	3.749	50	20	DHGD	
CCCn1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(C)n1	1337680933	BGRSBOYUJXPCLW-ZROIWOOFSA-N	305.385	3.850	50	20	DHGD	
CC[C@@H](COCC(F)(F)F)NC(=O)c1cccc(CCl)c1	1353702163	YHJAOTCTFOFSMS-LBPRGKRZSA-N	323.742	3.513	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncccc2Cl)cc1Cl	56330856	ZVHWLROJQWQMLU-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
COc1cccc(NC(=O)NNc2ccc(Cl)c(F)c2)c1	83055957	MBXXYITZCITBBO-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
N#CC1(C(=O)NNc2cccc(C(F)(F)F)c2)CCCCC1	103276400	ZJABFUOFFGYAIN-UHFFFAOYSA-N	311.307	3.623	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCOc2ccccc21	120482211	CMFXYWLASMUWAT-KRWDZBQOSA-N	322.408	3.575	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)s1	132816790	RBJAROXRKNVEAO-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc2ccc(Cl)cc2n1	154721603	JMFTXYOJPLZEFM-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1	174053470	YAFWPQVLFYRZDH-GZTJUZNOSA-N	306.365	3.687	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(F)c(Cl)cc1F	179363939	WWGVHQNNKGZBOK-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@H](c2ccc(F)cc2)C1	255161881	WDBHQMXTELWYKO-UDKWZTAFSA-N	308.356	3.764	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(C)cs2)c(OC)c1OC	255314633	IJQPQAOUDVBARR-GHXNOFRVSA-N	316.382	3.542	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)s1	255659410	RIEQSAFBQAYVLA-GXDHUFHOSA-N	308.362	3.749	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)CCCCC(C)(C)C)c1	294009781	UTDWRVHJSZKTCH-UHFFFAOYSA-N	305.422	3.695	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C[C@H]1c1ccc2ccccc2c1	294672533	MGIFHOROUWQQKW-KBPBESRZSA-N	308.208	3.863	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)/C=C/c1nc2ccccc2s1	492998313	PAFFTXLGPIXJMI-VOTSOKGWSA-N	315.225	3.572	50	20	DHGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	727945355	OQZHCDQAWDKTQO-WFASDCNBSA-N	320.393	3.580	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)c1cccc(C#N)c1	728780943	GTFFPGLJLMPOFS-UHFFFAOYSA-N	305.381	3.605	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C2/COc3ccc(F)cc32)c1C	729151944	YYLDTTMROUUEDN-MSUUIHNZSA-N	307.324	3.995	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)NC1CCCCCCC1	734652159	IBIYMJXKPVDGDG-UHFFFAOYSA-N	315.339	3.843	50	20	DHGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1	734980924	KPYBLUSRXHVIHO-PTNGSMBKSA-N	300.377	3.832	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)cc1Cl)[C@H]1CCOC1	741837378	JCNBXJSWYTYZOT-VIFPVBQESA-N	315.200	3.526	50	20	DHGD	
Cc1ccoc1C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	743428067	JROHGNLUFBODGC-CQSZACIVSA-N	322.364	3.659	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccccc2Br)C1	748065956	JSDGHISYZDKAST-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
CCO[C@H](C)c1ncc(C(=O)NNc2cc(C)cc(C)c2)s1	748366203	MLQVAGFTQUEIPW-GFCCVEGCSA-N	319.430	3.614	50	20	DHGD	
O=C(NCCC1CCC1)NNc1cc(C(F)(F)F)ccc1F	754656380	WHIINRGRLWRHDM-UHFFFAOYSA-N	319.302	3.661	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1ccc(F)cc1F	756013261	UVSAFOKUVZHLQP-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761393579	RUIBEWKTOVJIRU-KOERYYGSSA-N	320.197	3.540	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1cccc(Cl)n1	766747190	VWMGFYPDMFPDLF-SNVBAGLBSA-N	320.614	3.588	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1Cl)c1cc2c(s1)CCC2	767760908	KKKKAQCZDSHIND-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1cscn1	767900816	YJVXHTXJJQXFDU-UHFFFAOYSA-N	319.455	3.628	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc(F)cc(Cl)c1	770397478	PSAHBTCPZJOLAX-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)cc1	771514679	ULCXDFHMALARII-VBKFSLOCSA-N	319.360	3.810	50	20	DHGD	
O=C(NN=C1CC2(CCC2)C1)c1ccc(Br)s1	772837916	AKALZEOBCBXSGN-UHFFFAOYSA-N	313.220	3.561	50	20	DHGD	
Cc1cnc(C(=O)NNc2c(Cl)cccc2Cl)c(C)c1	780641252	MFVMSIQDARPBKY-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
O=C(CCCc1ccsc1)NNc1ccc(F)c(F)c1F	783589460	LHIQRTURBGVWEZ-UHFFFAOYSA-N	314.332	3.631	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)cc1)c1nccc2ccccc12	790228554	PFEPTIWFEWSNEW-LFIBNONCSA-N	300.317	3.997	50	20	DHGD	
CC[C@H](NC(=O)NNc1ncccc1C)c1cccc(Cl)c1	791023560	ZPZRHVIJYAMMKB-AWEZNQCLSA-N	318.808	3.821	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791733530	VVVXVWMJNYJVAZ-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
CCc1cccc2c(/C=C(/C#N)C(=O)[C@@H]3CCCOC3)c[nH]c12	794883704	MIIUFJBGEGAPCI-WJQTUHTMSA-N	308.381	3.633	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)OC)ccc1Cl	794934380	JPLXYGLLVKZVQM-XNFYSYIQSA-N	305.761	3.649	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C(F)(F)c1ccccc1	799759419	PLEDCGZDLLVIOZ-UHFFFAOYSA-N	304.340	3.793	50	20	DHGD	
C=C(CBr)COC(=O)C(C1CCC1)C1CCC1	803789090	JWMNNQCLYUMEOM-UHFFFAOYSA-N	301.224	3.697	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NNc3cccc(F)n3)c2c1	805160406	APFRDYFJUBDXSL-UHFFFAOYSA-N	313.332	3.847	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccc(C2CC2)cc1	806385734	CHANELWXVULDIU-UHFFFAOYSA-N	323.400	3.770	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1ccccc1C(F)(F)F	814269378	YKYPYVZBKOGZEB-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1	814687895	CDTPDQSBPHBUOV-ZDUSSCGKSA-N	303.793	3.776	50	20	DHGD	
C[C@H](c1ccccc1)N(Cc1ccccc1)S(=O)(=O)CCl	830240782	OUBSFVMDFYOAQP-CQSZACIVSA-N	323.845	3.776	50	20	DHGD	
O=C(NN=C1CCCC12CCCCC2)c1ccc2c(c1)OCO2	834921825	XGDONQIAWSVQBF-UHFFFAOYSA-N	314.385	3.636	50	20	DHGD	
CCCOc1cccnc1C(=O)NNc1c(C)cccc1Cl	836935675	DOQDMXGMQCOANR-UHFFFAOYSA-N	319.792	3.589	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1	839788320	FYSFHLOTJJYZSU-ZWKOTPCHSA-N	310.397	3.762	50	20	DHGD	
Cc1nnc([C@H](C)N(C)CCO[Si](C)(C)C(C)(C)C)s1	844344501	ZPKYPJGNWLZDRW-NSHDSACASA-N	315.559	3.861	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1C[C@H]1CCOC1	844349957	QWWNZNHZTOGVRD-HZPDHXFCSA-N	313.558	3.899	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1nnc(-c2ccccc2)o1	853293197	AXDUDHHOJFNFFD-ZDUSSCGKSA-N	324.384	3.589	50	20	DHGD	
N#CC[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	855260238	UGADDZWDWSCKTI-UONOGXRCSA-N	312.504	3.853	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(CC(C)C)n2)cc1F	856230734	AMCHNKGXUCCHDT-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1cc(Cl)ccc1O	857082927	RYCKRCSVYFBLDF-CKLFPEKLSA-N	318.642	3.870	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NN[C@H](C)C(F)(F)F	862313551	JIJNGZDADDWKHC-YPMHNXCESA-N	308.388	3.945	50	20	DHGD	
CC(C)OCc1ccc(NC(=O)NCC(Cl)Cl)cc1	878449729	WWNCNDXGMRRLSY-UHFFFAOYSA-N	305.205	3.537	50	20	DHGD	
CCn1cncc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	901437725	ULSVLPVNJIQDOU-GDNBJRDFSA-N	307.397	3.990	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(F)c(F)c2)cc1	916328127	QCOAKDQFHCJULV-UHFFFAOYSA-N	302.324	3.681	50	20	DHGD	
CCC(=NNC(=O)Cc1ccc(Cl)cc1)c1cccs1	916350775	HTLUSJJSEISZOC-UHFFFAOYSA-N	306.818	3.875	50	20	DHGD	
Cc1cccc(Cc2cnc(NC(=O)CCl)s2)c1Cl	1320465937	SONRBNKVGWZRSH-UHFFFAOYSA-N	315.225	3.873	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1F	1320835367	MUMJOLAWYSNFTF-UUILKARUSA-N	317.266	3.902	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)cc1	1777477173	FHFGPZWHYQZSAR-MKNRIVDGSA-N	323.373	3.944	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cc3[nH]c(C(=O)O)cc3o2)sc1C	1777489217	CYMCUTQEHOJGOZ-YCRREMRBSA-N	313.338	3.597	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCOc2ccccc2)cc1	7765690	ZWCSUMQTXHKQLM-GHRIWEEISA-N	307.349	3.524	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)c1C	68918289	CRRPISVXUDIBEM-ATVHPVEESA-N	316.360	3.996	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1nc2ccccc2s1	102443798	AHWLTXQSQYPGGV-XFXZXTDPSA-N	323.352	3.981	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2ccnc3ccccc23)c1	106924295	VJHNNRNJMZVSKN-UHFFFAOYSA-N	321.380	3.781	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)o1	130309055	XSWCJQHQMRGLRU-WQLSENKSSA-N	306.321	3.697	50	20	DHGD	
N#C/C(=C/c1ccc(-c2cccc(F)c2)s1)C(=O)NC1CC1	131077795	FZOHWFMNMXAGTH-XFXZXTDPSA-N	312.369	3.740	50	20	DHGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	181728320	BOLVSSQFNAJYIV-BOPFTXTBSA-N	308.356	3.700	50	20	DHGD	
Cn1ccc2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc21	182349305	CUOFQSXBLSYHFH-GDNBJRDFSA-N	319.339	3.863	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(Cl)c(F)c2)CCO1	184110048	BYWPKPJHCOCLQM-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CCCc3c(O)cccc32)c1	190820882	ILJQXEKOLVRICG-MRXNPFEDSA-N	310.397	3.572	50	20	DHGD	
N#C/C(=C\c1cc([N+](=O)[O-])ccc1OC(F)F)c1ccccn1	192720432	TWQHBKURDBPJQO-YRNVUSSQSA-N	317.251	3.655	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Oc2cc(C)ccc2Cl)c1	195662077	YVKHPKJLDDCKRQ-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
CC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCCC1	269571547	BCYCQQGSGDCLFM-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
Cc1ncccc1C(=O)NN(Cc1ccccc1)c1ccccc1	303328351	VVIKKLKBZNKVTJ-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
CSSCCNc1ccc(Br)cc1C#N	380360404	YFHVOKPDTHHAMU-UHFFFAOYSA-N	303.250	3.744	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	490690825	DQBJGNKXSWSBQY-XFXZXTDPSA-N	314.776	3.663	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnc(C(C)(C)C)nc2)c1	490971382	IVUASDALFZVBCN-DHDCSXOGSA-N	320.396	3.628	50	20	DHGD	
CC(C)C(C)(C)NS(=O)(=O)c1ccc(CCCCl)cc1	728060254	FPTHJBVFQWMTIW-UHFFFAOYSA-N	317.882	3.571	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1	732716555	VEPGYUYNUBKGQR-LGMDPLHJSA-N	324.424	3.949	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1occc1-c1ccccc1	743817778	FFDCZZZXBAFBDR-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(NCCCc1cccc(Cl)c1)NNc1ccc(F)cc1	746975237	NKQFFLXBXFPCBO-UHFFFAOYSA-N	321.783	3.738	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)Nc1ccc(F)cc1F	747441395	DILUDAQSTZWGSW-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1ccc(Cl)cc1Cl)C(C)C	748009247	GYQOFRXSHRUIJA-ZDUSSCGKSA-N	319.232	3.888	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2cnco2)cc1	748551979	SAZZBBNMSUIFHF-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C)c(-n2cccc2)c1	748571632	KPWMASYDSKBICL-UHFFFAOYSA-N	323.371	3.990	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(C)C	748732973	SHTQYMOZTPTWNM-SNVBAGLBSA-N	313.785	3.764	50	20	DHGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)C(=O)C(C)(C)C)c1Cl	758909174	BQQKYLKMVISIOW-ALCCZGGFSA-N	319.714	3.614	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1sccc1Br	764912808	YLOCGWNJYVGQGV-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccnn1C1CCCC1	768193439	TZLYSSXDMCZCIO-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
CCc1cnccc1[C@H](C)NC(=O)NNc1ccccc1Cl	774332638	LUKBRFFOGKBBQL-NSHDSACASA-N	318.808	3.685	50	20	DHGD	
CC(C)[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	781795822	XNAILVIDWSLZOQ-HEUOVEHFSA-N	300.377	3.627	50	20	DHGD	
CO[C@H](C(C)=NNC(=O)c1c[nH]c2ccccc12)c1ccccc1	782118254	AXGALQXIOLUPFO-GOSISDBHSA-N	321.380	3.661	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCCCOCc1ccccc1	785362607	NOPCFMFMKMFGET-XMHGGMMESA-N	321.376	3.744	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	793712107	BNKIQZIRWJRFON-NXEZZACHSA-N	300.324	3.763	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@@H](C)C2	794955064	UAQBHKDJOCMYBW-IYVNWDGISA-N	313.397	3.931	50	20	DHGD	
CCCN(N=Cc1ccc(OC)cc1OC)C(=O)OC(C)(C)C	794993366	XSWBYZRYOGKHED-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)Cc2ccccc2O1	795419666	ZIPQFIGBCHVVEQ-YFEUJDIGSA-N	308.356	3.973	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC[C@@H](c3ncccc3C)C2)n1	799113880	LZJFZJULCDTRHY-OAHLLOKOSA-N	322.412	3.537	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1	799467034	ZSRWHRLWPRLSGT-GFCCVEGCSA-N	310.319	3.855	50	20	DHGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C(F)F	799485511	UIZMGLWXKBJHKH-VIFPVBQESA-N	320.261	3.710	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc2c1OCC2(C)C	799758608	SJNLNCPTSYZPRW-UHFFFAOYSA-N	324.424	3.984	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)c1cccc(OC)c1	799760692	NFRDFXUIGOISHZ-CQSZACIVSA-N	312.413	3.813	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccccn1	806866164	MEZVDMJMRRGWQS-SNVBAGLBSA-N	323.318	3.526	50	20	DHGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NCC(Cl)Cl	808131495	WQVZXNSTLDRCCL-JTQLQIEISA-N	312.196	3.527	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	810197745	UQGHGPWYUUWZJJ-FZJCMRSGSA-N	322.408	3.607	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCCSC1	810562626	LSMIPIHBFSPJEC-QMMMGPOBSA-N	305.230	3.580	50	20	DHGD	
COc1c(C)ccc(NC(=O)NNc2cccc(Cl)n2)c1C	814573200	FLJNPYKYNLJJSC-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
CC(C)OC1CC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	814761840	FBXYUZBBVWBMEZ-UHFFFAOYSA-N	315.200	3.667	50	20	DHGD	
O=C(NN=Cc1cccc2cc[nH]c12)c1cc2ccccc2o1	814866763	FBNBUBGQXMJCNZ-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1cc(Cl)cc(Cl)c1	828555519	STCYWRZFIXRFHW-WRWORJQWSA-N	320.245	3.514	50	20	DHGD	
CCCc1cc(C(=O)NNc2c(C)cccc2C(C)C)no1	832322331	FFEZOAOKSWCTHG-UHFFFAOYSA-N	301.390	3.816	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(C)cc2Cl)CCO1	836935810	BMGWZRQBZZPSOG-OLZOCXBDSA-N	310.825	3.687	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@H]2CCC(F)(F)C2)c(Cl)c1	838574616	IHXNDZPADNEMAK-JTQLQIEISA-N	317.767	3.710	50	20	DHGD	
Cc1cc(N)cc(CNCc2ccc(OCCCCl)cc2)c1	841071884	UFKBYQVGICVVEE-UHFFFAOYSA-N	318.848	3.875	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	843898612	XJSVZEGRDQPBKY-GXSJLCMTSA-N	315.339	3.616	50	20	DHGD	
N#C/C(=C/c1cccc2c1CCC2)c1nnc2n1CCCCC2	844275684	ZRULVRMMVFUMNK-VBKFSLOCSA-N	304.397	3.557	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1ccc(OC)c(OC)c1	853260977	APFZNQGRTZLBAB-ZDUSSCGKSA-N	316.401	3.556	50	20	DHGD	
Cc1ncccc1CNC(=O)CCCC[C@H]1CCSS1	862951324	ATVVCYOXQOMYOA-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)C(C)(C)C)cc1OC	864362914	KXXQQLJOWLHVLY-IZZDOVSWSA-N	307.777	3.879	50	20	DHGD	
COc1cc(C)ccc1Oc1ccccc1C=NNC(=O)C1CC1	884376329	FFIKMBRKWADQHT-UHFFFAOYSA-N	324.380	3.656	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)COc2cc(C)ccc2C)c(C)c1	916297955	QPUZZHKIRHJGGB-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
CCc1ccc(C(=O)NN=C/C=C/c2ccccc2[N+](=O)[O-])cc1	916329612	QBCNOMQZOXZGFQ-OGGGEPSQSA-N	323.352	3.586	50	20	DHGD	
O=C(NN=Cc1cscn1)c1cc2c(s1)CCCCCC2	918710051	DNZJRSJPKDBMTR-UHFFFAOYSA-N	319.455	3.628	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1C=CCCC1	1253611559	HHOVDRALOBAXQC-JTQLQIEISA-N	317.286	3.579	50	20	DHGD	
CC(C)(C(=O)NNc1ccccn1)c1ccc(Cl)c(Cl)c1	1254246648	RNFOWCHAKSLMDM-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccnc2N(C)C)c1	1328934800	LEXRAQWCIOZYIR-BOPFTXTBSA-N	305.381	3.554	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC2CC1(c1ccccc1)C2	1352451267	ADLUZERZIPXKBI-UHFFFAOYSA-N	303.833	3.932	50	20	DHGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)c1ccc2c(c1)OCO2	63278735	JUVIRDHHCNKASU-XGICHPGQSA-N	324.361	3.539	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)c(OC(F)F)c1	114630911	DVAMZLRMLZQVOG-XFFZJAGNSA-N	309.312	3.819	50	20	DHGD	
C=CCCO[C@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	126278708	WRKKAUPUJOHKOY-MRVPVSSYSA-N	321.179	3.557	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(Nc2ccccc2)c1	159504565	KFSGVTNQJZKRLY-YPKPFQOOSA-N	307.353	3.813	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccc(F)cc1F	173143306	DYJPWEULQGAFKM-LLVKDONJSA-N	322.330	3.816	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1	175417166	AZEMWPSQYBYXHJ-UHFFFAOYSA-N	320.751	3.801	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccccc2F)cc1	188607567	XCVUBBANWSSMDN-KWWJGWKXSA-N	324.355	3.619	50	20	DHGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1	194538373	KLGAKJZUJFYIDQ-AUWJEWJLSA-N	324.286	3.657	50	20	DHGD	
Cc1cccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	194629211	PICXOIOGZDUBBN-QJISPJEISA-N	320.392	3.793	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1C	254558105	FIHDLXVEQPKQMV-VURZZOQMSA-N	312.413	3.606	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2ccc(Cl)s2)cc1	254871901	GSMVCIIDNCGVFY-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)cc2C1	255917181	SGGLFBWZEJYWEU-CNHKJKLMSA-N	323.327	3.657	50	20	DHGD	
C[C@H](CC(=O)NNc1cc(C(F)(F)F)ccn1)c1ccccc1	295477567	YVCOCSCQPJDDOZ-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
C/C=C(/CC)C(=O)NNc1c(F)cc(F)cc1Br	588572144	XWPGQIDRAIGJEH-CLTKARDFSA-N	319.149	3.527	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccccc1Br	728431495	UYDKKPRXPYMHAX-UHFFFAOYSA-N	311.223	3.726	50	20	DHGD	
Cc1cccc2c1CCC2=NNC(=O)c1c[nH]c2ccccc12	729141090	SFNQKSMWMQOLGA-UHFFFAOYSA-N	303.365	3.557	50	20	DHGD	
O=C(CCc1ccccc1F)NNc1nccc2sccc12	734248239	IYZXOTRLYAEDGT-UHFFFAOYSA-N	315.373	3.511	50	20	DHGD	
O=C(NN=C1CCc2cc(F)ccc21)c1cccc(Cl)c1	734294742	IKZUWLRNDLVFJS-UHFFFAOYSA-N	302.736	3.559	50	20	DHGD	
CCCCC[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734652788	RXQDBFHXDVTPKM-VIFPVBQESA-N	303.328	3.699	50	20	DHGD	
Cc1cccc2c(CCC(=O)NN(C)c3ccccc3)c[nH]c12	743291675	QLMVJWNPLFYXPU-UHFFFAOYSA-N	307.397	3.577	50	20	DHGD	
Cc1nc(Cl)cc(NNC(=O)CCCC2CCCCC2)n1	747979670	HNKBCKOLWWZEDJ-UHFFFAOYSA-N	310.829	3.632	50	20	DHGD	
O=C(/C=C\c1ccccc1F)NNc1cccc2c1CCCC2	748577366	GLKPBADXUXMUDR-SEYXRHQNSA-N	310.372	3.861	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2cccc3c2CCCC3)cc1	748588725	QYIOWFNUWZCNLT-OAHLLOKOSA-N	324.424	3.784	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1cc(F)c(F)cc1F	748795720	NAFKBLIYEYPMKB-UHFFFAOYSA-N	320.270	3.536	50	20	DHGD	
C[C@@H](C(=O)NNc1cccnc1Cl)c1cccc(Cl)c1	754488001	MVEZBEGALNUMAE-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCOC(C)(C)C)cc1	757025646	ROSPKVZHXLEVBQ-VBKFSLOCSA-N	301.386	3.650	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1ccccc1F)c1cccc(Cl)c1	763362777	LIEDUAGERDHPHD-LBPRGKRZSA-N	318.779	3.927	50	20	DHGD	
CCO[C@H](CC(=O)NNc1c(Cl)cccc1Cl)C(C)C	763613579	ZXHMKDDXNPVHAW-GFCCVEGCSA-N	319.232	3.888	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(Oc2cccc(F)c2)cc1	766491940	RHKPENVMDSUZRF-CXUHLZMHSA-N	317.341	3.527	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)[C@@H](F)c1ccccc1	769607112	ZURXPPGAGQQARS-ZDUSSCGKSA-N	323.165	3.603	50	20	DHGD	
Cc1cc(N(C)C)ccc1NC(=O)NNc1ccccc1Cl	769958357	SWBGWFMHCGBIIN-UHFFFAOYSA-N	318.808	3.863	50	20	DHGD	
C[C@H](CBr)COC(=O)CCc1c[nH]c2ccccc12	770295475	INAGGTAAJWQZSD-LLVKDONJSA-N	324.218	3.675	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCCOCc1ccccc1	771692627	HOZLDFYMXXAPIR-UHFFFAOYSA-N	316.376	3.574	50	20	DHGD	
C=CCC[C@H](NC(=O)NNc1ccc(F)cn1)c1ccccc1	772033601	QIVHUXPKXMVFAA-HNNXBMFYSA-N	314.364	3.554	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)C[C@H]1CCCCC1(C)C	772892093	ZYCUSQIJBJPYDQ-CYBMUJFWSA-N	304.438	3.650	50	20	DHGD	
CCc1nc(C)c(NC(=O)[C@@H](Br)C(C)(C)C)s1	779311075	ZPACZHRHTNSYHH-SECBINFHSA-N	319.268	3.762	50	20	DHGD	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@H](Br)C(C)(C)C	781092448	VXCIJGBGOUAGNB-VOAKCMCISA-N	316.283	3.976	50	20	DHGD	
CC(C)(C)CCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	787318864	NHCZXJKARYIGQK-NTCAYCPXSA-N	300.402	3.632	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1cccc(N(C)C)c1	788966218	RZDNLZHITVNBGQ-UHFFFAOYSA-N	301.434	3.995	50	20	DHGD	
Cc1cccnc1NNC(=O)CCSc1ccccc1Cl	791214423	AKNXBMJCTXHVHU-UHFFFAOYSA-N	321.833	3.669	50	20	DHGD	
CCCN(N=C1C[C@H](OCC)C12CCC2)C(=O)OC(C)(C)C	794992855	LIDKSNJYLIICAZ-AWEZNQCLSA-N	310.438	3.969	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(Cl)ccc1C	805385493	NZPGFHAIEHXWJU-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1nccnc1C1CCC1	805460649	ZPCPFQNBCUIEMY-CYBMUJFWSA-N	304.438	3.794	50	20	DHGD	
Cc1cc2cc(C(=O)N(C)CC(Cl)Cl)oc2cc1C	808246870	LVJLFNIRELLCJT-UHFFFAOYSA-N	300.185	3.925	50	20	DHGD	
CCCN(Cc1ccc(OCCCCl)cc1)CC(C)(C)O	811460822	ALMMSAOXMLKSSU-UHFFFAOYSA-N	313.869	3.677	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1cccc(C#N)c1	813034974	FYNJJOIDZPRMDE-UHFFFAOYSA-N	322.412	3.816	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)CCc2ccccc2)c1	814826029	QAICWLUYGBLLAU-UHFFFAOYSA-N	300.789	3.731	50	20	DHGD	
C=CC[C@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	817009023	RKBCRWLQNYTBQM-ZDUSSCGKSA-N	301.777	3.538	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)cc1	827175591	AZAMESNISGGMAI-QZTJIDSGSA-N	305.381	3.585	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(Cl)nc(C2CC2)c1	847600423	NSZNWMVSWGAAPK-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(C#N)cc1F	851924239	LNURRLTZMSMCSU-HERUPUMHSA-N	311.198	3.521	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2cccc(Cl)c2)C1)c1cc[nH]n1	853391891	ZFZGQIIQKLYGOT-LBPRGKRZSA-N	316.792	3.507	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H]2C=CCC2)c(C)n1CC(C)C	855421618	IJQVKDUOWYQBTR-BHEJFATLSA-N	311.429	3.503	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3sccc32)C[C@@H]1Br	857083430	WOIWWWPUJKGRLD-KGYLQXTDSA-N	300.265	3.889	50	20	DHGD	
Cc1cccc2cc(C(=O)NCCCSC#N)c(Cl)nc12	857246315	YVXBSAFUJJMJTF-UHFFFAOYSA-N	319.817	3.531	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCc1ccc(Cl)c(F)c1	861735713	UKKSDUYDCIBFHJ-UHFFFAOYSA-N	312.599	3.674	50	20	DHGD	
CC[C@](C)(C#N)C(=O)NNc1ccc(OCc2ccccc2)cc1	862517088	DVRJZSSYVJZPPW-LJQANCHMSA-N	323.396	3.649	50	20	DHGD	
CSc1cc(C(=O)NNc2cccc3c2CCCC3)co1	866874859	PXRITZDYIGKCNU-UHFFFAOYSA-N	302.399	3.637	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)cc1	915917682	HVBSAIVIJNEREX-CVEARBPZSA-N	313.445	3.869	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCC[C@@H](C)C2)c1C	916336827	PQBCVJBGPRTQJJ-IUODEOHRSA-N	302.418	3.753	50	20	DHGD	
CNC(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1	920377015	FNBNUBLDRBZYFM-UHFFFAOYSA-N	312.156	3.516	50	20	DHGD	
CN(C)c1ncccc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	1117392475	RYAIIRFZBFTLEK-DHZHZOJOSA-N	317.801	3.652	50	20	DHGD	
C[C@@H]1COc2ccccc2CN1C(=O)C1CCC(Cl)CC1	1123686411	KYZPSFKSUYRGKC-DNOWBOINSA-N	307.821	3.594	50	20	DHGD	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC(=O)CCl	1319921785	MQTHNZCPYNAUDO-GFCCVEGCSA-N	304.217	3.791	50	20	DHGD	
O=C(O)[C@H](F)CNCc1cccc(S(F)(F)(F)(F)F)c1	1353946630	YVHACZDBVSMVTA-SECBINFHSA-N	323.258	3.856	50	20	DHGD	
COc1cc(OC)c(OC)cc1/C=C(\C#N)c1nc(C)cs1	8079417	VBKHUZDPQGQICH-LFYBBSHMSA-N	316.382	3.542	50	20	DHGD	
C[C@@H](C(=O)NNC(=O)CC(C)(C)C)c1ccc2ccccc2c1	84631641	WLFIJLFBPHRRSG-CYBMUJFWSA-N	312.413	3.527	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc(F)c(F)c1F	114538824	NKTIIESQFUNGTI-VIFPVBQESA-N	300.324	3.763	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1SCCc2sccc21	119157835	WFTKWCIESHRQGB-AWEZNQCLSA-N	322.430	3.669	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(F)c1F	153669424	QHFNPIYIJPIKSP-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NNc2cccc(F)c2)cc1	154101173	DEVRCZKWIIOMCS-UHFFFAOYSA-N	315.392	3.819	50	20	DHGD	
Cc1ncsc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	155255037	WOIVKSNMFLQHSE-UHFFFAOYSA-N	314.322	3.732	50	20	DHGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1ccc(Cl)cc1	171536657	PUGWJVOVKLVOBP-DHZHZOJOSA-N	318.163	3.934	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	192876332	BTGATBLFBLJTOZ-MDWZMJQESA-N	305.337	3.871	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(Cl)cs2)c1	195222097	MXMGPSTZGBOTFL-YHYXMXQVSA-N	318.785	3.956	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@H]1c1cccc(F)c1	248693351	JCOPMFPHNWYUBX-FZMZJTMJSA-N	300.215	3.994	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@H]2C)o1	254485519	BMFXPTWLNORZHH-RIHWVARESA-N	322.364	3.957	50	20	DHGD	
CCCN(N=Cc1cn(C)nc1C(C)(C)C)C(=O)OC(C)(C)C	495811667	UQIAMODKAUJIQH-UHFFFAOYSA-N	322.453	3.699	50	20	DHGD	
CC(C)[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	588607123	CYZGKXUWFCZSAO-QRYYFKOISA-N	312.413	3.584	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cnn(C(C)C)c1	741462347	CZEDJWNNVTXISM-UHFFFAOYSA-N	320.396	3.771	50	20	DHGD	
CCC(=NNC(=O)c1c(Cl)cccc1Cl)[C@@H]1CCOC1	741844160	VTDHIQUVFCQWCU-SECBINFHSA-N	315.200	3.526	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1cc(Cl)ccc1Cl	745823524	VGAFWDODWNSWCZ-WKMLFNHBSA-N	313.184	3.615	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccccc1C(F)(F)F	748822838	ZVEBXLAWMMELSL-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
O=C(NN=Cc1ccc(O)c(Cl)c1)c1cc2ccccc2o1	749818247	UEZKGINXMQXHRB-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)CCc2c(Cl)cccc21	758039534	LVNPQZOHIQWORY-XYOKQWHBSA-N	321.207	3.988	50	20	DHGD	
CC[C@H](CC(F)(F)F)NC(=O)NNc1ccccc1Cl	761035466	ILLGRGZUUGZIDQ-MRVPVSSYSA-N	309.719	3.697	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	761965475	NBJVSAFQBGFARG-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1c(C)cccc1F	771689316	WGYJIMWCDMOQKP-HNNXBMFYSA-N	316.376	3.743	50	20	DHGD	
O=C(NN=C1CC2(CCC2)C1)c1ccc(COc2ccccc2)o1	772838743	MKOWGCXHNLJBCY-UHFFFAOYSA-N	324.380	3.909	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	775256797	QGXGPEQPOVBNRG-VIFPVBQESA-N	303.328	3.616	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(C(F)(F)F)cn1)C(C)(C)C	775257489	NMZNXRLHPIBPHA-VQHVLOKHSA-N	301.312	3.536	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccnc1C1CC1	783698665	MCCMLSSZMCCPPC-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)Cc2ccccc21	785043053	HYGGOYLAEFJFFD-AYCSXLNKSA-N	320.367	3.879	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	791226181	XKZJZLOWZHHRNN-LLVKDONJSA-N	321.833	3.667	50	20	DHGD	
CC(Cc1ccccc1C(F)(F)F)=NNC(=O)c1ccc(C)o1	794849093	AKJWVCXHDNYBHF-UHFFFAOYSA-N	324.302	3.955	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3c(F)ccc(O)c3F)[nH]c12	794942353	MHLKXGVKFHUJPL-YFHOEESVSA-N	311.291	3.919	50	20	DHGD	
COc1cc(NNC(=O)[C@H]2CCCC(F)(F)C2)ccc1Cl	800558448	CLTOGCFYUWGGJF-VIFPVBQESA-N	318.751	3.617	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1ccc2ccccc2c1	805465664	BMNDAHDZZCEQLR-UHFFFAOYSA-N	318.380	3.654	50	20	DHGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1cccc([N+](=O)[O-])c1	811628793	MNTGTVSJJNRIRB-UHFFFAOYSA-N	315.373	3.815	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H](F)c1ccc(C(F)(F)F)cc1	819795057	RWOIJVGVSLSSCF-SECBINFHSA-N	318.097	3.636	50	20	DHGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1cc(Cl)cc(Cl)c1	828555516	STCYWRZFIXRFHW-RDDDGLTNSA-N	320.245	3.514	50	20	DHGD	
CCCN([C@H](C)c1cc2ccccc2o1)S(=O)(=O)CCl	830161363	QEBRHMMHODQZIX-LLVKDONJSA-N	315.822	3.732	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2c(C)cccc2Cl)cs1	836934265	ROTUVURTCZFKGU-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCCc2cccnc21	836937120	VGPYSMMCKBTUTA-CYBMUJFWSA-N	315.804	3.607	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@@H](C)CC(F)(F)F)c(C)c1	840432602	FNLJJQCDMKWZQX-JTQLQIEISA-N	317.355	3.826	50	20	DHGD	
CCc1nc(C)c(CN(C)CCO[Si](C)(C)C(C)(C)C)o1	844344567	BXGJZBURJCOPRY-UHFFFAOYSA-N	312.530	3.999	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)C12CCC(CC1)C2	859633328	CMXBWBSEJRLHMN-KHJSKFAYSA-N	301.224	3.531	50	20	DHGD	
Cc1sccc1CC(=O)OC[C@H](CBr)C1CC1	859649346	JVJLNZGUEDTLAF-LBPRGKRZSA-N	317.248	3.563	50	20	DHGD	
CC(=NNC(=O)c1cc(C)cs1)C1CCC(F)(F)CC1	863155706	VXLOZENZVTWYNI-UHFFFAOYSA-N	300.374	3.988	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(Cl)cc2F)c(C)n1	885107347	CJTLUGKHWJCKBD-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)c1nc2ccccc2o1	899381693	RNQLMUUQODTCPH-NVNXTCNLSA-N	304.353	3.889	50	20	DHGD	
CC(C)n1cncc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	901510302	BDZDWIPUMOHYRN-VZUCSPMQSA-N	306.291	3.942	50	20	DHGD	
COCc1c(C(=O)NNc2ccc(C)cc2)oc2ccccc12	912594125	JBIYDVYWOADGAT-UHFFFAOYSA-N	310.353	3.645	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(C)C)c1C	914526831	FLKXGABTRQNYPA-LICLKQGHSA-N	301.434	3.536	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(C)c(C)c1	915974326	YROOURCCMSZKAM-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
O=C(NCC1(c2ccccc2)CCC1)NNc1ccc(F)cc1	916234251	ZOARYXBNQHXUMX-UHFFFAOYSA-N	313.376	3.574	50	20	DHGD	
CCCCNC(=O)NN=Cc1cc2cccc(C)c2nc1Cl	920752487	IYOKZNGXLFVTIK-UHFFFAOYSA-N	318.808	3.630	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Sc2ccccn2)cc1Cl	1116281283	PQFMXBHSCFLTSK-LLVKDONJSA-N	321.833	3.667	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)CC2CCCCC2)c1	1324282656	WONFMEWFADBHNS-LBPRGKRZSA-N	308.397	3.884	50	20	DHGD	
O=C(NC1([C@H]2CCCCO2)CCC1)c1cccc(CCl)c1	1353777255	PVNDCXATGUSQML-OAHLLOKOSA-N	307.821	3.647	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)C2CCC(Cl)CC2)cc1F	1519215473	MHKSKRIQPFTLRZ-ZBOXLXRLSA-N	313.800	3.809	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccc(C(F)(F)F)cc1	114886927	YMFKYUSTHFXZEE-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2[nH]ccc2c1	175434374	NIYIXPMOUYELSK-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccc3c(c2)CCO3)ccc1[N+](=O)[O-]	180572795	NOAPOAGEQCMVIP-YBEGLDIGSA-N	306.321	3.902	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccc4ccccc4n3)[nH]c2c1	181084782	IWZJZBFGAVLLDH-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccccn2)C1	181178521	FWXOXMGDGHYHJI-JKSUJKDBSA-N	319.449	3.680	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1=CCCCC1	188606284	JGEJEDOVNWEILK-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccccc2F)c1OC	212673499	ILONBCODRHJXLO-RAXLEYEMSA-N	311.312	3.633	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccccc2)cc1	213359734	QSUBNDSUBAOBRB-VMOJBDSFSA-N	307.349	3.907	50	20	DHGD	
Cc1ccc2nc([C@@H]3CC[C@@H](Br)C3)nc(O)c2c1	277519824	NWDRQLDZVRTGCX-NXEZZACHSA-N	307.191	3.675	50	20	DHGD	
CCCC(=CC(=O)NNc1ccc2c(O)nccc2c1)CCC	285722168	OHRNQUQUYJJUDA-UHFFFAOYSA-N	313.401	3.910	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cn(C(C)C)nn2)cc1	287322533	VLIILDOYWSQJAA-YBEGLDIGSA-N	308.385	3.601	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2nc(Cl)cs2)cc1	490784226	XZWNQVOJAMNEJM-UXBLZVDNSA-N	303.774	3.651	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1csc(C2CC2)n1)c1ccccc1	731932112	ZDMRMFGENKYLJQ-OAHLLOKOSA-N	313.426	3.664	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc(Cl)c1	734247094	UKSZPSIDSLOBDR-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(C)Oc1ccc([C@H](C)NC(=O)NNc2ccccc2)cc1	734264894	HCOZXOQZEKZXNL-AWEZNQCLSA-N	313.401	3.861	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)[C@H](C)Oc2ccccc2F)C1	734978002	PMIWLZNSTZAKOY-STQMWFEESA-N	306.381	3.665	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	741474317	XFJDZUHIHUJHKC-GHXNOFRVSA-N	324.771	3.993	50	20	DHGD	
O=C(CCCC1CCCC1)NNC(=O)c1cccc2ccccc12	742707194	ZUUNTPSZTSUAHL-UHFFFAOYSA-N	324.424	3.961	50	20	DHGD	
C[C@H]1CC(=NNC(=O)C(C)(C)C)c2cccc(Br)c21	743438343	RZCUOGOLCKCXRZ-VIFPVBQESA-N	323.234	3.823	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1F)c1ccc(Cl)cc1F	747647121	ZSSNYGCBTBYFDM-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
Cc1c(NNC(=O)C[C@H](C)c2ccccc2)cccc1[N+](=O)[O-]	748681758	VANKINOBVWRHFQ-LBPRGKRZSA-N	313.357	3.540	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc2ccccc2o1	749823701	ONEIPDHVMVCRRG-UHFFFAOYSA-N	308.381	3.975	50	20	DHGD	
C[C@@H](CCC(=O)NNc1c(F)cccc1F)c1ccccc1	750423934	NDVJLCSNQVORIU-LBPRGKRZSA-N	304.340	3.992	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc3ccccc23)c(C)n1C	754950577	RLCQZJGJRPTTSN-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cnc(Cl)s2)cc1	760462535	ACUDSZGZLMTASX-WUXMJOGZSA-N	318.785	3.755	50	20	DHGD	
O=C(NN=Cc1cnc(C2CC2)s1)c1ccc2ccccc2c1	761813202	UVAVOXOJUSLGMV-UHFFFAOYSA-N	321.405	3.938	50	20	DHGD	
CCO[C@@H]1CCCC1=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	766434843	ZYMGNUKDCCXJRQ-BXUZGUMPSA-N	320.458	3.548	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc2ccccc2n1	767034784	YWHOKUSDYOONRM-CYBMUJFWSA-N	321.218	3.983	50	20	DHGD	
CCSc1cccc(NC(=O)NNc2cccc(C#N)c2)c1	770030366	NITPMJAORCNSOO-UHFFFAOYSA-N	312.398	3.819	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2cccc3ccsc23)c1	770073547	LBFVYDMCKCPHLK-UHFFFAOYSA-N	308.366	3.922	50	20	DHGD	
Cc1[nH]c2ccccc2c1CC(=O)OC[C@@H](C)CBr	770338093	BEVKHYJFQILQAQ-JTQLQIEISA-N	324.218	3.593	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cnccc1C	771561387	WNVWCAJVRXPBPW-UHFFFAOYSA-N	316.792	3.898	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1	790586411	WYTLHOCYLMVJPS-UHFFFAOYSA-N	323.368	3.784	50	20	DHGD	
O=C(Cc1cccc(C(F)F)c1)NNc1ccc(Cl)cc1	790900797	ILUPBVUYEUTMST-UHFFFAOYSA-N	310.731	3.963	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Oc1cccc(C(C)C)c1	791155800	VOMFBYTWSULBEW-LBPRGKRZSA-N	313.488	3.705	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccnn3C(C)C)n2)cc1	794871984	GRCBKIUVAJVWTM-XNTDXEJSSA-N	319.368	3.887	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1OCCc2ccccc21	799758708	XNRLGQDXZBMTSX-SFHVURJKSA-N	324.424	3.705	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccc(Br)c(F)c1	800538933	HPPBFESLYNWLKE-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
Cc1ccnc(C)c1NC(=O)NNc1cccc(C(F)(F)F)c1	806535974	DKBNVHUCYNNLGG-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CSCCCC=NNC(=O)COc1cc(C)ccc1C(C)C	814704279	MCNWBJNIRQDWOY-UHFFFAOYSA-N	322.474	3.742	50	20	DHGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)CC1CC1	814989960	VZQLCWMEWOFACV-UHFFFAOYSA-N	312.335	3.930	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)Nc2cc(F)cc(F)c2)c1	815006241	OFVSXKCIJZFSEY-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(C#N)c(Cl)c1	828352354	HIQKQLDBJIHWOD-QMMMGPOBSA-N	319.714	3.633	50	20	DHGD	
Cc1cc(NS(=O)(=O)CCCCCl)c2ccccc2c1	830079011	OHYADDLARRFDQX-UHFFFAOYSA-N	311.834	3.909	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccc(OC(C)C)nc1	836935364	WUFNCEMSEKEUEX-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
COc1ccc(C(CC(C)C)=NNC(=O)CC(F)(F)F)cc1	842523852	ASRROQKHNOTZTH-UHFFFAOYSA-N	316.323	3.514	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2cccc(C#N)n2)C1	853897431	GRXHZWLLUKJXNJ-CQSZACIVSA-N	303.482	3.554	50	20	DHGD	
CSSCCNC(=O)c1ccc(SC(F)(F)F)o1	868138535	NKHRFNRCCVEAGV-UHFFFAOYSA-N	317.379	3.633	50	20	DHGD	
CC(C)(C)SCCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	869428460	HNYMKRTUZCAUKH-SDNWHVSQSA-N	319.426	3.764	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](c2ccncc2)C2CC2)c(C)c1	899015598	UEHMFDFIUPSOIQ-SFHVURJKSA-N	324.428	3.784	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCC(=O)c2ccccc2)c1	901165622	XYGNYKSGGWBWIB-UHFFFAOYSA-N	310.397	3.800	50	20	DHGD	
C[C@@]1(C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1Br	905071456	AKONTQYIJWEUMI-GXSJLCMTSA-N	306.562	3.591	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1	916254397	VZNXSSZYPFIIRU-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CSc1ccccc1C(C)=NNC(=O)c1ccc(C)cc1O	1322615479	VPBUVFDEMPEUPK-UHFFFAOYSA-N	314.410	3.577	50	20	DHGD	
O=C(CCl)N[C@@H](c1ccc(F)cc1)c1ccccc1Cl	1323268849	GMCBXQWIEIZLQY-HNNXBMFYSA-N	312.171	3.924	50	20	DHGD	
COc1nc(Cl)c(/C=C(/C#N)c2nc(C(C)C)cs2)n1C	1330693513	BOEVGKUEIGBOFG-UITAMQMPSA-N	322.821	3.726	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnn(CC2CCC2)c1	1334364602	IVPWGEIHKIZGKF-MFOYZWKCSA-N	305.381	3.782	50	20	DHGD	
CC(C)C[C@@H]1C[C@@H](NC(=O)c2cccc(CCl)c2)CCO1	1337213413	WBOUQLCDHWHGDC-JKSUJKDBSA-N	309.837	3.749	50	20	DHGD	
CC(C)n1ncc2c1[C@@H](NC(=O)C1CCC(Cl)CC1)CCC2	1346579497	GFCBYOSNTXAYGQ-ZALBZXLWSA-N	323.868	3.755	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)C2CCC(Cl)CC2)c2ccccc2O1	1349913320	ZJFLOTVUTITYBY-XZNOPERXSA-N	307.821	3.813	50	20	DHGD	
N#C/C(=C\c1ccoc1C(=O)O)C(=O)c1cc2ccccc2s1	1601046505	VSEKPBYMIDONOA-KPKJPENVSA-N	323.329	3.982	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)cc1	1777433728	ZXXZTEZCIJSHKX-DHDCSXOGSA-N	309.296	3.622	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(OCc2ccccc2)cc1	6429105	OSVAVZYGWLIAMC-LDADJPATSA-N	320.392	3.697	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(OCC#N)cc1	55040743	KSCOTOZQSRMEOO-UVTDQMKNSA-N	308.362	3.749	50	20	DHGD	
CC[C@H](C)n1ncc(C(=O)NNc2cccc(F)c2)c1C1CC1	89866100	JVGUIVULSBIUEQ-NSHDSACASA-N	316.380	3.628	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H](C)CC2CCCC2)c1	114559500	PQUMJDJJEMWRJP-ZDUSSCGKSA-N	319.474	3.529	50	20	DHGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)C(N)=C(C#N)C#N	128301788	YCAJEBLSRRLJGQ-LCYFTJDESA-N	316.364	3.942	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2occc2-c2ccccc2)c1	152329064	XBIKPTMUQBZRNI-UHFFFAOYSA-N	303.321	3.575	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	153622641	OOPSZYRCSMLKII-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
CCSc1ccc(C(=O)NNc2ccccc2Cl)cn1	158440380	QGQZXLPJVXHFKU-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2cc(C)cc(C)c2)c1	158881891	NYVKYMZKULDSST-HNNXBMFYSA-N	312.413	3.949	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cc3ccccn3c2)cc1	183181503	LPHQCPIMGOAVIJ-UHFFFAOYSA-N	307.397	3.994	50	20	DHGD	
Cc1cc(C(=O)NNc2c(C)cccc2F)c2ccccc2n1	184357996	QDPFSBBKQLUDSP-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CSC1(CNC(=O)CCCC[C@@H]2CCSS2)CC1	194505652	JPJNEFLLLJLTNU-LLVKDONJSA-N	305.534	3.712	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c(C)c1	212132035	TWCDSPRTCKYWQV-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1ccc(Cl)c(Cl)c1	254835147	XKKDTLFEJUPSLG-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	281883665	XLXAGRPQNZHXCI-NVXWUHKLSA-N	318.461	3.842	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)Cc2cccc(F)c2)cc1	294481545	WIWQQAVVRNVLQG-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
BrCCn1ccc2cc(Br)ccc21	306169494	AGPFICFIZQOPPU-UHFFFAOYSA-N	302.997	3.799	50	20	DHGD	
C[C@H](Cc1cccs1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490872577	BZVGLCGTKFNWNA-HLVNSREUSA-N	314.385	3.542	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnc(C(C)(C)C)nc2)c1	490971386	IVUASDALFZVBCN-OQLLNIDSSA-N	320.396	3.628	50	20	DHGD	
O=C(/C=C/c1ccsc1)NNc1cccc(C(F)(F)F)c1	492185324	SJZWGXMNTRGUFP-SNAWJCMRSA-N	312.316	3.923	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1C	588555423	DSIVOMAAAPRZLM-JYRVWZFOSA-N	317.332	3.703	50	20	DHGD	
CC1=CC(=NNC(=O)Cc2nc(-c3ccccc3)cs2)CC1	730568735	YZIKGWURVXPAQN-UHFFFAOYSA-N	311.410	3.565	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2cc(F)c(F)c(F)c2)cc1	746708827	BNGOYVZQDGYIQK-UHFFFAOYSA-N	322.330	3.742	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccc(OC(F)F)c2)C[C@H](C)C1	747750827	FFOLFTVVZMFXOH-PHIMTYICSA-N	310.344	3.830	50	20	DHGD	
C/C(=C\C(=O)NNc1cccc(C#N)c1)c1cccc(Cl)c1	748050115	DEAUKLVVCGFTIN-XYOKQWHBSA-N	311.772	3.758	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CCC1	748637812	DWGAVUAYIOGICH-UHFFFAOYSA-N	309.291	3.521	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc2C1	750044991	LFGCTUXWYZBDCV-ODLFYWEKSA-N	319.364	3.908	50	20	DHGD	
Cc1ccc(C(=O)NN=C/C=C2/N(C)c3ccccc3C2(C)C)o1	752175075	UPKVADMKAABZAQ-LOLFMQHDSA-N	323.396	3.615	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756769235	TYNVUBXNRIMFRG-QLFBSQMISA-N	324.428	3.679	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756783072	IFTIERAJIIJDMD-GXDHUFHOSA-N	322.355	3.810	50	20	DHGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1cccc2c1OCCO2	771529308	DZJDMEDPQFLHFX-RVDMUPIBSA-N	319.360	3.865	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1C[C@H]1c1ccc(F)cc1	777461740	RARPRRJSTGUCMF-JKSUJKDBSA-N	321.355	3.621	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCCCc1ccccc1	781066829	NTLYRQILXJCPDA-CYBMUJFWSA-N	312.251	3.545	50	20	DHGD	
O=C(CCCc1ccsc1)NNc1nccc2sccc12	783650368	AIFROLGGZSQHFW-UHFFFAOYSA-N	317.439	3.824	50	20	DHGD	
C/C(C=NNC(=O)CC(C)(C)C)=C/c1cccc([N+](=O)[O-])c1	787154085	DYRURYVXUBRBTC-ROALBAFGSA-N	303.362	3.536	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1csc2c1CCCC2	788183828	CLTCOZQJHXMCRY-UHFFFAOYSA-N	320.389	3.532	50	20	DHGD	
COc1cc(NNC(=O)CCc2ccc(F)cc2)ccc1Cl	790186446	HLJGJOFOPYWITD-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@@H](CC#N)c1ccccc1	793711086	CBNJRNWOTGBYAV-OAHLLOKOSA-N	311.360	3.665	50	20	DHGD	
COC(=O)N(C)N=C(CCc1ccccc1)Cc1ccccc1	794959559	JLJSIRFZFWTFTC-UHFFFAOYSA-N	310.397	3.916	50	20	DHGD	
CCCN(N=C1COCc2ccccc21)C(=O)OC(C)(C)C	794996318	GUPMDVLONZJEHV-UHFFFAOYSA-N	304.390	3.568	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)ccc1C#N	799497105	HGIFCEGDCLDTIN-RQZCQDPDSA-N	316.360	3.974	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1sccc1Cl	803118840	GFHIQCQBFHWFNM-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Cc1ccc(C)c(C(=O)CCC(=O)N(C)CC(Cl)Cl)c1	808248180	DJPRDVOACNARAE-UHFFFAOYSA-N	316.228	3.528	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CCC3(CCCC3)CC2)c1	811632137	BGMNIDRLMGVWSF-UHFFFAOYSA-N	313.445	3.973	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@H]2C[C@H]2c2ccccc2)cc1	815000105	RIFXAHGHYRANPB-PBHICJAKSA-N	309.369	3.606	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(Cl)n1)c1ccc(F)cc1	817010317	WDYBRIBBUUKZMG-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1ccnnc1)=C/c1ccccc1	817342994	WKEGSYYBSXNKAF-IIKBHQFDSA-N	322.412	3.856	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C1[C@@H]2CCCCCC[C@@H]12	830813989	UEIOSVAJQDLTAF-HZPDHXFCSA-N	309.413	3.894	50	20	DHGD	
C=CCC1(C(=O)NNc2ncnc(Cl)c2C(C)C)CCCC1	840544671	HWNIVBFFXXMZNH-UHFFFAOYSA-N	322.840	3.833	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc([N+](=O)[O-])cn2)C1	853897706	PPPCYVBJSYFCRO-CYBMUJFWSA-N	323.469	3.590	50	20	DHGD	
CC1=C(C(=O)NNc2nc3ccc(Cl)cc3s2)CCC1	856233841	CQMXQGQYSAJNRP-UHFFFAOYSA-N	307.806	3.893	50	20	DHGD	
CC(C)(CC(=O)NNc1ncc(Cl)cn1)C1CCCCC1	857358360	UKLHCCFRIUXNKG-UHFFFAOYSA-N	310.829	3.570	50	20	DHGD	
C[C@H](CC(=O)OC[C@@H](CBr)C1CC1)c1ccco1	859814301	FJTSAOQVDCSKEU-ZYHUDNBSSA-N	315.207	3.738	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)C(=O)C(CC)CC)c1C	863183857	DANKTNONSMQYJW-ZROIWOOFSA-N	316.401	3.721	50	20	DHGD	
CCCn1cc(/C=C(\C#N)n2c(C(C)C)nc3ccccc32)nn1	865226460	UVKUTMJNPYSEGJ-XNTDXEJSSA-N	320.400	3.683	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)CCN2CCCCCC2)cc1	916354803	BMMHTMTUKTUQCG-UHFFFAOYSA-N	315.461	3.526	50	20	DHGD	
CC(C)CCCCCC(=O)NNC(=O)c1ccccc1Cl	1318920904	XSHGGCFOSVOTOR-UHFFFAOYSA-N	310.825	3.708	50	20	DHGD	
C[C@H](OC(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	1593583829	BPNRJITVKLDGPQ-LURJTMIESA-N	320.235	3.974	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1cccc(C(=O)O)c1F	1601265544	QWINJZWUZHCKFQ-UHFFFAOYSA-N	322.380	3.718	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC[C@H]2CCCO2)cc1	14175694	BARIVMRZYOHYLI-GSPCDJLXSA-N	313.397	3.767	50	20	DHGD	
Cc1cc(CN(C)C(=O)CCCC[C@@H]2CCSS2)no1	47665198	DLLICJIYJJGPGI-CYBMUJFWSA-N	314.476	3.656	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)C2CCCCCC2)c(C)c1	101962497	IDURSVCTEVNFIV-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccnc3ccccc23)CC1	106925860	VSMMHZLZYMPUOU-UHFFFAOYSA-N	317.392	3.718	50	20	DHGD	
CSCC[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	120512292	LGTSMKYTTSTMCC-VXGBXAGGSA-N	307.550	3.958	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)c2nnc3n2CCCCC3)s1	123361401	YOIGSSLPIFTRNF-WQLSENKSSA-N	313.430	3.649	50	20	DHGD	
CC(C)=CCOc1cccc(C(=O)NNc2ccc(C#N)cc2)c1	155513665	BXFWDKVINAQUDS-UHFFFAOYSA-N	321.380	3.660	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)Nc1ccc(Cl)cc1	176400598	YXUAETRZVFNROE-JXMROGBWSA-N	313.769	3.819	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccccn3)CCCCC2)c1	181258860	WSNCDAWOPYZLQT-UHFFFAOYSA-N	309.413	3.735	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2OC(F)(F)F)c1	182585978	XEUAPSVZROIVCD-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(C)c1O	211483849	KFHHZYSHVRISCN-UNXOMZHKSA-N	312.413	3.611	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)s2)cc1	255112178	COCCDHCWJXLDAK-XFXZXTDPSA-N	323.377	3.564	50	20	DHGD	
CCCN(CC)Cc1ccc(C(=O)NNc2ccccc2)cc1	264825593	IBKFULSVWKCQRX-UHFFFAOYSA-N	311.429	3.675	50	20	DHGD	
CC(C)c1ccc(SCC(=O)N2CC=C(C#N)CC2)cc1	272701171	UKZGJYLCZNWNCB-UHFFFAOYSA-N	300.427	3.584	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(C)(F)F)c1C	295578056	MZADMIVXAHJWRQ-XNTDXEJSSA-N	323.387	3.583	50	20	DHGD	
C[C@H](Br)c1cccnc1NC(=O)OC(C)(C)C	536960818	ZOVKVGOIYNIQLE-QMMMGPOBSA-N	301.184	3.885	50	20	DHGD	
CC(C)(C)CCNS(=O)(=O)c1ccc(CCCCl)cc1	726974296	IIFSCXOJIGJWEQ-UHFFFAOYSA-N	317.882	3.573	50	20	DHGD	
CC[C@@H](NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1	732917986	WRWPILBCRRVOPN-ZVQXUQNISA-N	312.457	3.975	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc2c(c1)CCC2	734248944	CLQYTVUYZCYGQI-UHFFFAOYSA-N	309.394	3.542	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2ncccc2Cl)cc1	738540925	PHCMIWPZIMPUBY-LBPRGKRZSA-N	317.820	3.934	50	20	DHGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)Nc1ccc(F)cc1	740764491	WWQBYGSJKSLCRQ-KAMYIIQDSA-N	317.323	3.920	50	20	DHGD	
CC(C)c1ccc(CNC(=O)NNc2ccc(Cl)nc2)cc1	745766615	CBMZZPLLZYWVQJ-UHFFFAOYSA-N	318.808	3.685	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)c1ccccc1	748583816	IOEXDKHNTVZEPE-XNTDXEJSSA-N	322.320	3.783	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1cc(Cl)ccc1Cl	752810633	DBDQDOKVEGDKON-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
N#Cc1cccc(C(=O)NN=CCCCCOc2ccccc2)c1	753958908	BVRRFWOBSOBMAL-UHFFFAOYSA-N	321.380	3.523	50	20	DHGD	
Cc1ccccc1CCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	754541058	MKLPVFPAHYZLKE-QGOAFFKASA-N	321.376	3.784	50	20	DHGD	
CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)C1CCOCC1	755879466	GKMYYJKVZLXCLM-UHFFFAOYSA-N	318.461	3.512	50	20	DHGD	
COc1ccc(NNC(=O)c2cncc(-c3ccccc3)c2)cc1	758290186	AVKWARXMUBKNNS-UHFFFAOYSA-N	319.364	3.514	50	20	DHGD	
Cc1cc(Br)ccc1/C=C(\C#N)c1ccncn1	758916558	RGMYIPARPVIGLK-KPKJPENVSA-N	300.159	3.612	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	762844005	JLRNGJZQBRNLDL-RGAIUGGKSA-N	314.307	3.775	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CC(C(F)F)C3)cc2C1	766015281	JUXCDPHQCXEKRF-PEHGTWAWSA-N	312.385	3.634	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(Br)c2)C[C@H]1C	767380450	RBPHUSUUVSIPKI-GHMZBOCLSA-N	323.234	3.991	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)c1cccc(F)c1	770386547	AVMISMBJJJTPQI-ZJUUUORDSA-N	303.171	3.503	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3c(C)cccc3F)n[nH]2)cc1	771688497	CDXQZEZFEBXTRX-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2c(C)cccc2F)cc1	771706145	CWCCRPAFFXYDSU-UHFFFAOYSA-N	300.377	3.772	50	20	DHGD	
COC1CCC(C(=O)NNc2ccc(Cl)cc2Cl)CC1	780948435	HXCZNKYFZYMKDF-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)cs1)C(=O)c1ccc(Cl)s1	782207822	RZCMKXYAFIYVCV-XVNBXDOJSA-N	323.782	3.951	50	20	DHGD	
CSC1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCC1	787469946	REJUIBUJNRTOGW-UHFFFAOYSA-N	322.327	3.573	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNc1ccccc1F	792260916	RYDRIGMLGHEGQD-ZDUSSCGKSA-N	324.355	3.890	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	792633846	UOBYAPUJKQKQRU-LFIBNONCSA-N	314.410	3.623	50	20	DHGD	
CCCN(N=Cc1cc(OC)cc(OC)c1)C(=O)OC(C)(C)C	794997636	ZJENSKKESNHGLK-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
C=C(CBr)COC(=O)C[C@@H]1CCc2ccccc21	795516119	YSQMSJSYMNLGSM-ZDUSSCGKSA-N	309.203	3.601	50	20	DHGD	
CSc1ccccc1[C@H](C)NC(=O)NNc1ccc(F)cc1	799660122	JCNFGGAWRHVMBA-NSHDSACASA-N	319.405	3.935	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](c1cccnc1)C(C)C	799760542	LAVGFPSGXUPIQP-KRWDZBQOSA-N	311.429	3.835	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](c1ccc(F)cc1)C(C)C	800047962	VDCQZAMRPQOQGJ-HNNXBMFYSA-N	316.380	3.553	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCCSC(C)C)cc1	803256754	QGRIDLZUDQALLJ-PTNGSMBKSA-N	319.426	3.677	50	20	DHGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNc2cccc(F)n2)c1	804770000	PUCQCQZRIJTCHK-ZDUSSCGKSA-N	315.392	3.666	50	20	DHGD	
Cc1c(NC(=O)NNc2ccccc2Cl)ccnc1Cl	810287806	ZKRGCRLYOPYZJD-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccc(Cl)nc1	810461015	MEETURDQTZZDBN-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
Cc1ccc2sc(C(=O)NNc3ccnc(F)c3)cc2c1	810985130	ZBNNNEZAOGKMSM-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1ccnc2cc(Cl)ccc12	812455697	OPIQGMVMZJPZTK-ZWNOBZJWSA-N	303.793	3.768	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccccc1C#N	814854670	SDXRBQVFQFOCLD-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(C3CC3)CC2)cc1	816905540	FEPYMWAYHZDYQK-QGOAFFKASA-N	324.424	3.641	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)N[C@@H]1C=CCC1	821059572	FFCNLXZKXFTPFE-MRVPVSSYSA-N	319.714	3.704	50	20	DHGD	
CC1(C(=O)NNc2cc(Cl)ccc2Cl)CC(F)(F)C1	821158534	LWOWRNIJODZNLS-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
C[C@@]1(CC(=O)NNc2cccc3cnccc23)CC1(Cl)Cl	827186359	WLTNMSOPTGAPCO-CQSZACIVSA-N	324.211	3.652	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)F)ccc1OC(C)C	840736675	YZFPZHZABUEJNU-JYRVWZFOSA-N	305.349	3.707	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)s1)[C@H]1C[C@@H]1C	841612495	KVSKXBBJLPZXLM-YUMQZZPRSA-N	315.236	3.662	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1Cc1cnns1	844349363	LZSZYMUYBCRAOE-GFCCVEGCSA-N	313.543	3.524	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc(Cl)cn1	856093598	XXOFBTWWYBUPRO-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccc(Cl)cn3)cc2C1	856095001	DACRHCXOXILLBD-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CCc1nc(C)c([C@H](C)NC[C@]2(C)C[C@@H]2Br)s1	857083735	ZKWUBRJCBKJAHZ-FWDPORAESA-N	317.296	3.838	50	20	DHGD	
C[C@@]1(CNC(=O)c2cc3ccccc3s2)C[C@H]1Br	857402360	JVPVNIRFQCLSNL-OCCSQVGLSA-N	324.243	3.805	50	20	DHGD	
Cc1ccc(C(C)(C)NC[C@@H](CBr)C2CC2)cn1	859251259	BWTXWVCZDKKTBE-CYBMUJFWSA-N	311.267	3.636	50	20	DHGD	
CC(=O)CN(C(=O)CCCC[C@H]1CCSS1)C(C)C	868597727	BKHZEDJSTZKHRB-ZDUSSCGKSA-N	303.493	3.527	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2nc3ccccc3s2)C1	901276449	RHSMDSYUGPWRHR-NSHDSACASA-N	319.455	3.688	50	20	DHGD	
C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C)C(C)C	914683046	CJOAQEAOAMPDFU-LDADJPATSA-N	313.445	3.845	50	20	DHGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1ccccc1C	916302104	NQWNAXRKYAPCMO-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1ccc(F)c(F)c1)c1ccccn1	916787823	RIEKITBODACGAF-OAHLLOKOSA-N	320.343	3.527	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1ccccc1F	917144127	ZTCBZCPSWMBKHC-KAMYIIQDSA-N	323.323	3.777	50	20	DHGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1cc(F)cc(Cl)c1	1330927566	RAUCKNDCYAOLCD-SNVBAGLBSA-N	314.788	3.660	50	20	DHGD	
C[C@]1(CNCc2ccc(N3CCCC3)cc2)C[C@@H]1Br	1331033434	NEJIXPYIKLARLT-JKSUJKDBSA-N	323.278	3.550	50	20	DHGD	
O=C(O)CCNC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	1595060544	YUZCGYSNDZMVCD-UHFFFAOYSA-N	319.251	3.549	50	20	DHGD	
CCCCC(=O)NN=C(C)c1sc2ccccc2c1C(=O)O	1776036036	WWNKIXIZRSUXAR-UHFFFAOYSA-N	318.398	3.630	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccccc1Oc1cccnc1	52026430	RDCQMMQGARFTPO-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(F)cc1	102713778	WIBRGDVFQZZFQL-YHYXMXQVSA-N	320.245	3.789	50	20	DHGD	
CCCc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1	114224542	KHVSLVQTUAGEGW-UHFFFAOYSA-N	319.836	3.944	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc(-n3cccc3)c2)c1	120365232	MZKIJUGFTBETOR-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2c(c1)CCC2	120372440	HCXGGGNZMFBPDP-UHFFFAOYSA-N	306.409	3.811	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2C)c1	131067131	YHBYRMUKRXVNIZ-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1	132477433	NPOIAGBPOJQKNT-WQRHYEAKSA-N	320.392	3.996	50	20	DHGD	
O=C(/C=C/c1cccnc1)NNc1c(Cl)cccc1Cl	132717841	MLFNNFLBKSJEDB-VOTSOKGWSA-N	308.168	3.545	50	20	DHGD	
Cc1cnc([C@@H](NC[C@H](C)CBr)C2CC2)s1	152825870	XRBBUEJVWPJFBH-KCJUWKMLSA-N	303.269	3.523	50	20	DHGD	
CC(C)(C)c1ncc(C(=O)NNc2ccccc2Cl)s1	158387544	OEQMEHKGDCVXAQ-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(O)c(Br)c1	171020280	ZOCPEWWXVUGKHW-WDZFZDKYSA-N	308.175	3.677	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(Oc2cccnc2)c(C)c1	171981799	MMXMBAIBSZOKTB-WJDWOHSUSA-N	321.380	3.616	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)C)c(SC)cc1OC	172698969	XXONNPHCFJNLBM-NTUHNPAUSA-N	319.426	3.948	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)cc(C)n2)cc1	178909634	XDTFIRNEWMSXEE-LFIBNONCSA-N	321.380	3.643	50	20	DHGD	
COc1ccc(C[C@H](C)C(=O)NNc2cc(C)cc(C)c2)cc1	179487253	OEVKCNSMFZEUPL-HNNXBMFYSA-N	312.413	3.634	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(F)c(F)c1	181292215	PLQVTINDZQGMJU-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H]1CCCC[C@@H]1C	194547569	MUYVNBVBJZTIIG-RULJAHQOSA-N	312.413	3.726	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1O	211572768	VDPFAXNBGLUBSY-DHDCSXOGSA-N	322.364	3.563	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc(OC)c1	213513230	SDKCXCQEDNIEJN-AUWJEWJLSA-N	311.312	3.633	50	20	DHGD	
CC1(C)[C@@H]2C[C@@H]1CC=C2C=NNC(=O)c1c[nH]c2ccccc12	252513439	ZXOWYLPAXAQNNL-XJKSGUPXSA-N	307.397	3.876	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1	491012447	RIHMEMFQCNKKIP-XXYJFICJSA-N	318.804	3.536	50	20	DHGD	
CN(N=Cc1ccc(C(F)(F)F)s1)C(=O)OC(C)(C)C	496939437	CHADZRIKZWCMHW-UHFFFAOYSA-N	308.325	3.968	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1)c1cccc(OC(F)F)c1	728433582	JZJHJNXFOFLROP-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C2\COc3ccc(F)cc32)c1C	729151945	YYLDTTMROUUEDN-WUKNDPDISA-N	307.324	3.995	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1nccc2ccccc12)c1ccccc1	740763021	UGJGXEGCAYEQDT-QGZVFWFLSA-N	317.392	3.879	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	742033561	BPHHNRUGRKFFIB-LBPRGKRZSA-N	322.474	3.604	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccccc2F)C1(CC)CC	748245082	VJJFZJNDNFJAPJ-OAHLLOKOSA-N	306.381	3.527	50	20	DHGD	
CC[C@H](C)C=NNC(=O)Nc1cc(Cl)c(OC)cc1OC	755747083	UNHQHVFZSBFDQQ-VIFPVBQESA-N	313.785	3.511	50	20	DHGD	
C[C@H]1C[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC[C@H]1C	756625400	KJTOWDLBPSHNCT-QUUTXRGPSA-N	300.377	3.674	50	20	DHGD	
Cc1nc2sccn2c1CN(C)/C(=C\C#N)c1ccccc1	761910020	CABAKAOYRXIAHN-NVNXTCNLSA-N	308.410	3.701	50	20	DHGD	
C[C@H](Cc1ccsc1)NC(=O)[C@H](Br)C(C)(C)C	767318775	FSEONKXAXFBDQD-KOLCDFICSA-N	318.280	3.605	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc2[nH]ccc12	781085445	XOBFLLAVKJVBSV-LBPRGKRZSA-N	309.207	3.916	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c(C)c1	782017219	SRXJCFUDTOBLMG-IAGOWNOFSA-N	318.461	3.896	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cc(F)ccc2C)c1	786056214	NOHBMSZHSGJUDM-MFOYZWKCSA-N	308.356	3.666	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CCc1cc(C)cc(C)c1	788183810	BUDLNPNDGPHGRF-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
COc1cc(NNC(=O)Nc2cc(C)cc(C)n2)ccc1Cl	788669877	PPFJABSDULXNEH-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1nccnc1C1CCC1	805464684	DITZUUVTCLFFLV-AWEZNQCLSA-N	316.449	3.794	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3cc(C)cn3c2)c(C)c1	806961631	UBGFAYLIMINELI-UHFFFAOYSA-N	307.397	3.930	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCC(F)(F)C1	813103287	BQWJHUHUBZMZSL-GFCCVEGCSA-N	311.376	3.932	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)NNc1cccc(Cl)n1	814612294	ILPCXXKQHSWTSX-UHFFFAOYSA-N	320.780	3.591	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3cc(C)ccc3o2)cc1	817889244	BSXRDWDCCTXTHH-UHFFFAOYSA-N	310.353	3.897	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)c2c(F)cccc2F)cc1	817899070	HJTVNPRAELWKNT-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
CC(C)(C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CCC1	827186336	VQISIZPOOIRSNI-UHFFFAOYSA-N	311.769	3.518	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccc3c(c2)COC3)cc1	836485438	IBZKIEVXUHUJCK-UHFFFAOYSA-N	311.385	3.989	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1	838061326	UVRMEDFLZHKFGQ-UMADGWCESA-N	324.424	3.964	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@@H]4C[C@H]34)cc2C1	841611334	SGWCBLRLHGWQFV-WZRBSPASSA-N	302.443	3.779	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	848082751	VYMZCYZYHSIGNC-UZXYAUHMSA-N	308.224	3.557	50	20	DHGD	
Cc1ccc(C(=O)NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)o1	853316070	GSTLIMGJAKSMLT-GHMZBOCLSA-N	302.296	3.672	50	20	DHGD	
C[C@]1(CNC(=O)C2CCCCCCC2)C[C@@H]1Br	857399526	WZZCAMVEWYKEOT-GXTWGEPZSA-N	302.256	3.637	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NN[C@H](C)C(F)(F)F)s2)o1	862316181	MLEKXBPNLQRVII-MRVPVSSYSA-N	318.320	3.502	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1cc(F)ccc1F	885142143	VAKQIDISDGDVJO-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1cc(C)oc1C	915923327	LLHNHQFQKYMVJQ-UHFFFAOYSA-N	321.380	3.907	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccncc2)oc2ccccc12	916242973	AKAHPRHUSRYUDM-UHFFFAOYSA-N	307.353	3.544	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(OC(F)F)cc2)cc1	916329590	OYBAWJHCFMMXDF-UHFFFAOYSA-N	318.323	3.614	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cnn(C2CCCC2)c1	925825510	FRBWBFVCRBIDLN-UHFFFAOYSA-N	319.796	3.800	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2ccc(F)c(F)c2)cc1C	930717357	PSEWVBNMAFWDKT-VIFPVBQESA-N	323.347	3.589	50	20	DHGD	
O=C(CCl)N1CCCCC[C@@H]1Cc1ccccc1Cl	1327533532	UISXIYHLQJNFOC-CYBMUJFWSA-N	300.229	3.893	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@@](O)(c2ccccc2)C1	1328957281	NEQGNRAOWRQOKE-FJZBCQJGSA-N	322.383	3.674	50	20	DHGD	
CCC(C)(C)C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	1549084663	UGROHCLSQLGCQR-CVEARBPZSA-N	302.418	3.693	50	20	DHGD	
O=C(CC1CCCCCC1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1601253875	MXPCDVHWXXITCA-UHFFFAOYSA-N	321.329	3.559	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CCCC[C@@H]1c1ccccc1	7855150	AKBVINDNGONWHO-GOSISDBHSA-N	321.424	3.929	50	20	DHGD	
O=[N+]([O-])c1cc(Cl)cc(Br)c1OCCl	86491142	XHDFZTIANKLQOU-UHFFFAOYSA-N	300.923	3.586	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)o1	124205842	BOOKUSDFSPLMCV-UHFFFAOYSA-N	303.120	3.791	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1ccc(F)cc1	180708370	VKVPAKZHQRXEEX-JXMROGBWSA-N	302.286	3.585	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1c(O)ccc2ccccc12	254850309	WNVKXPGVBPUNCJ-UHFFFAOYSA-N	304.349	3.618	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(F)c(O)c(F)c1	255556233	SKRUAOZMQHSSNR-WUXMJOGZSA-N	314.291	3.525	50	20	DHGD	
C[C@H](CCC(=O)NNc1ccc(Cl)nc1)c1ccccc1	269709638	NOOFGULRIJEXCA-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cn(C(C)C)nc2C)cc1	281027902	OEUCEYGZOXDVNP-YBEGLDIGSA-N	322.412	3.881	50	20	DHGD	
BrCc1cc(Br)nc2ccccc12	299890330	XVZCRLAYJAMXIA-UHFFFAOYSA-N	300.981	3.892	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)Nc1ccccc1Cl	490696312	OSNMVHIISCZRLJ-XFXZXTDPSA-N	314.776	3.663	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C	490700688	VVJZYPXABZMFRL-PTNGSMBKSA-N	310.353	3.946	50	20	DHGD	
CCCN(N=C(C)c1cnn(C(C)C)c1)C(=O)OC(C)(C)C	495939335	CTEOJJXPLBXZFD-UHFFFAOYSA-N	308.426	3.835	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cc(Cl)ccc1OC(F)F	728429292	XZKXYEBZUIUKMD-UHFFFAOYSA-N	318.751	3.828	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)Cc1ccc(F)cc1	730947320	MQRSSRMMPUEYGR-UHFFFAOYSA-N	304.390	3.555	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)s1	731155737	RJXWJGNSXQRMHZ-VYVVHGEZSA-N	302.443	3.912	50	20	DHGD	
Cc1cccc(CNC(=O)NNc2ccc(Cl)c(F)c2)c1	746744830	RWUFGWOWLUIWBS-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
O=C(CNc1ccccc1Cl)NNc1ccccc1Cl	748303224	YWZNCIMNFXOHJX-UHFFFAOYSA-N	310.184	3.549	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1ccc(F)cc1F	749530826	NOHYGEYBAVVGFB-OAHLLOKOSA-N	320.339	3.574	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)CC1CCCCCC1)c1ccccc1	749990096	LVXDDNJFRGVSTQ-QGZVFWFLSA-N	316.445	3.688	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCC[C@@H](C)C2)c1	750093174	YUMYPZYODPWTPK-OCCSQVGLSA-N	319.474	3.529	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCCOC1CCC1	750770913	JJINCUYDDOVJRT-ZDUSSCGKSA-N	304.477	3.813	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccccc2C2CC2)c(C)c1	751133892	IFZQLRNYYBIGEL-UHFFFAOYSA-N	321.424	3.743	50	20	DHGD	
CC(C)C[C@H](C)NC(=O)NNc1ccccc1C(F)(F)F	752689600	UHJBNAKIUYIYFS-JTQLQIEISA-N	303.328	3.766	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cn(C)c2ccccc12)c1ccccc1	755720506	DGBYTEZGKJFXDM-QGZVFWFLSA-N	319.408	3.822	50	20	DHGD	
COc1cccc(F)c1C(=O)NNc1c(C)cc(C)cc1C	761573990	VGJGIKREFJSWQF-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
C[C@@H](C=NNC(=O)NCc1ccco1)c1cccc(Cl)c1	763356506	RGDWCSAADYTYLC-NSHDSACASA-N	305.765	3.522	50	20	DHGD	
CC[C@@H](CC(F)(F)F)NC(=O)[C@H](Br)C(C)(C)C	768448080	PAEQJDBODAOFPZ-YUMQZZPRSA-N	318.177	3.643	50	20	DHGD	
N#C/C(=C\c1cscc1Cl)C(=O)NCCc1ccccc1	771842960	VPWHVWNPEAXYGW-MDWZMJQESA-N	316.813	3.667	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1cc2ccccc2s1	780226161	VNJAPZWSGJCXBZ-UHFFFAOYSA-N	319.389	3.927	50	20	DHGD	
N#CC1=CCN(C(=O)CCc2ccc(-c3ccccc3F)o2)CC1	780687895	OVLWQIVSDVPEHQ-UHFFFAOYSA-N	324.355	3.701	50	20	DHGD	
Cc1ccc(C)c(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)c1	785364810	JMGGMCSABIUZQM-GZTJUZNOSA-N	319.360	3.637	50	20	DHGD	
CCCC(=NNC(=O)CNc1ccc(C)cc1)c1ccsc1	785449195	GTLOJYGWSXTAMZ-UHFFFAOYSA-N	315.442	3.789	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	786833261	WULINHLQDARIAX-QXPQOBGOSA-N	300.402	3.774	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cc(Cl)ccn2)CCC1	788526001	OXYPZUWVGUHRQV-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1cc2ccccc2o1	790877831	IRIBLLNXUSFSEU-UHFFFAOYSA-N	310.444	3.585	50	20	DHGD	
CCCOc1cc(C)ccc1NC(=O)NNc1ncccc1C	792248783	USVLRKDHQOJOFN-UHFFFAOYSA-N	314.389	3.636	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc2ccccc2n1)c1cccnc1	797973574	HFJUQPIFRIXDPE-GOSISDBHSA-N	320.396	3.513	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1C[C@]12CCc1ccccc12	799758462	MQOXSRKQZBHWED-NQIIRXRSSA-N	320.436	3.905	50	20	DHGD	
CC1(C)CC(C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	802859540	GFSVKAVNUDPTKN-UHFFFAOYSA-N	304.287	3.724	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1cc2c(s1)CCCCCC2	804766605	LBDAAZYQFBZIDL-UHFFFAOYSA-N	319.405	3.698	50	20	DHGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNc1cccnc1Cl	810494047	MVWYPKLKFSJLSO-ZRDIBKRKSA-N	301.777	3.590	50	20	DHGD	
CCN1CCC(N(C)Cc2ccc(OCCCCl)cc2)CC1	811454464	JXEZDOXSISQBDK-UHFFFAOYSA-N	324.896	3.610	50	20	DHGD	
COC(C)(C)C[C@@H](C)NCc1ccc(OCCCCl)cc1	811482622	ZLGLLRPMMFDAJX-CQSZACIVSA-N	313.869	3.988	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCCC23CCCC3)cc1	814743153	VXRXGCAOROOWAN-UHFFFAOYSA-N	300.402	3.590	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCC[C@H]1CCSS1	816627148	GGKOIGUXHUDPJU-VIFPVBQESA-N	316.319	3.963	50	20	DHGD	
CC(C)[C@H]1N(C(=O)[C@@H](Br)C(C)(C)C)CC12CCC2	816800519	ZJMNHTJQZMGQBP-VXGBXAGGSA-N	316.283	3.833	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3cccc(Cl)n3)cc2c1	817006688	UQILIDYSWPBJMK-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cn1	817977976	SJMOJSQVVWVVAE-UHFFFAOYSA-N	303.365	3.873	50	20	DHGD	
CN(NC(=O)c1[nH]ccc1-c1c(Cl)cccc1Cl)C1CC1	819652579	WFHNBRPZAOMHFD-UHFFFAOYSA-N	324.211	3.728	50	20	DHGD	
Cc1cn2ccc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc2n1	821795805	AMCHMOBIUIOZEP-UHFFFAOYSA-N	322.412	3.697	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	832968907	QVRXIWDUARELNN-JTQLQIEISA-N	315.339	3.760	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)NC2CCCC2)cc2ccccc12	834412456	FWENEMCUUIIRSX-LFIBNONCSA-N	320.392	3.814	50	20	DHGD	
Cc1ccccc1NNC(=O)[C@@H]1CC(C)(C)Oc2ccccc21	839485036	JOJBBPCLEOCYQO-OAHLLOKOSA-N	310.397	3.783	50	20	DHGD	
CO[C@](C)(C(=O)NNc1ccccc1Cc1ccccc1)C1CC1	846461944	QCFMPNCHMVIZLG-FQEVSTJZSA-N	324.424	3.536	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1cc(C)ccc1C)CCC2	847600295	JVECBQODKGSYGK-QGZVFWFLSA-N	324.424	3.875	50	20	DHGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNc1cc(F)cc(Cl)c1	854036027	JYYDWLFTTRHLPS-QMMMGPOBSA-N	321.730	3.541	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2cc3ccccc3o2)C1	901195590	VPEHRGDGDGYDCS-CYBMUJFWSA-N	302.399	3.824	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc2ccsc2[nH]1	917042131	ICGMKKMYYZALCZ-UHFFFAOYSA-N	316.338	3.974	50	20	DHGD	
N#CC1=CCN(Cc2cccc(Cl)c2Br)CC1	930141384	ZSTCUPGZPAYTKY-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)c1cccc(Cl)c1	935693714	PLIRBPXHDDCETJ-UHFFFAOYSA-N	310.825	3.852	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	1248640768	OTTPGJHDRGGMNY-VKAVYKQESA-N	311.429	3.500	50	20	DHGD	
O=C(NCc1cccc(C(F)F)c1)NNc1ccc(F)cc1	1255361754	XDDJKQZQDGXUSZ-UHFFFAOYSA-N	309.291	3.590	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)cc1Cl	1320250094	UXFUYEZHQCRBDY-CJNGLKHVSA-N	324.852	3.933	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)cc1	1323205995	PEDHCYCDJVPYRB-NDENLUEZSA-N	316.404	3.707	50	20	DHGD	
CC(C)Oc1cc(Cl)c(/C=C(\C#N)C(=O)O)cc1Cl	1591755605	PICWPQDFXHEECZ-YCRREMRBSA-N	300.141	3.772	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNc1ccc(C(=O)O)c(F)c1	1605266377	RKIJRKKSIGJDQG-GFCCVEGCSA-N	324.396	3.964	50	20	DHGD	
Cn1nccc1/C=C(C#N)\C(O)=N\c1c(Cl)cccc1Cl	56198384	ZBFFJLRPQXTRLS-CLFYSBASSA-N	321.167	3.922	50	20	DHGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1ccc(F)cc1	68098139	PLIYGFBUUIANFK-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2ccc(F)cc2F)c1	104129985	HFTGAEOWMOQCHQ-UHFFFAOYSA-N	306.312	3.511	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-n3cccc3)cc2)c1	125741999	BDDBIQGRGGYFPT-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
Cc1cccc(NC(=O)NNc2nc(C(F)(F)F)cs2)c1	127035250	QCQHVJFHBIGARL-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
C/C=C(/C)C(=O)NNc1ccc(Br)cc1Cl	127176416	WFOHKLDGALQZKY-CLTKARDFSA-N	303.587	3.512	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	132448157	IAMHVAFWLWZMOY-VUFYJBQKSA-N	320.392	3.617	50	20	DHGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccccc1Cl	152798755	CBZGYBOIRJGDHE-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ncccc1Cl	173601897	MGRJCUCPHZNRGS-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(O)c2)c1C	178335851	LNARFHZOWDQEFR-MHWRWJLKSA-N	323.396	3.766	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cnc2ccc(F)cc2c1	179486063	ZDNALLWNGHOVTG-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1c[nH]c2ccccc12	180703882	IQSCHBWNUHZDNN-JXMROGBWSA-N	323.333	3.927	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccc(-c2ccccc2)s1	182435128	RPWSKEVMSUXGTJ-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CCSc1cccc(NC(=O)NNC(=O)CC2CCCC2)c1	185431328	LVRGRVCGHITNGQ-UHFFFAOYSA-N	321.446	3.532	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	191760256	RXGAWQPQJRQEAR-WDZFZDKYSA-N	321.295	3.534	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1coc(C2CCC2)n1	192814702	SPACDPKTAPHALE-UHFFFAOYSA-N	311.385	3.578	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C/C=C\c1ccccc1	252474846	NJPGCXALJZTFET-FOUGDTDFSA-N	303.365	3.526	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)c1	255571763	UJYXSXHDVWOYQJ-LDADJPATSA-N	316.360	3.996	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1F	588619084	JCVBQQSAENAAFJ-WQLSENKSSA-N	301.342	3.994	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1ccncc1)c1ccc(F)cc1	734296703	UHZFEGULBBHKBJ-UHFFFAOYSA-N	313.376	3.791	50	20	DHGD	
O=C(NN=C1CCCCc2ccc(Cl)cc21)c1cccnc1	735224921	XMCYTSPWIBWJQT-UHFFFAOYSA-N	313.788	3.596	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CCC[C@H]1c1ccc(F)cc1	741162474	DYVVLTJPBGOVMT-NSHDSACASA-N	302.271	3.518	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNc1nc(C)cc(C)n1	742512111	VJHBZUBQQPMMEE-KRWDZBQOSA-N	306.454	3.923	50	20	DHGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	745802346	QWQVUOPTFSAZDH-WCQYABFASA-N	310.829	3.720	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2ccc(Cl)c(F)c2)c1	746700935	QUMSQDKCAVOEEZ-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
C[C@@]12CC3CC(C(=O)NNc4ccc(C#N)cc4)(C1)C[C@](C)(C3)C2	748113317	WKJJRXSIOOZYSC-LGMBCPCJSA-N	323.440	3.998	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@H](C)C(=O)c2ccccc2)c1	748401681	WLVHQTQMCGCUJM-HNNXBMFYSA-N	310.397	3.656	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc(C#N)c1)CCc1ccccc1	749158909	YDCUSGTUMCUOFR-HNNXBMFYSA-N	305.381	3.543	50	20	DHGD	
O=C(NNc1nccc2sccc12)C1(Cc2ccccc2)CC1	752803702	DSEAYWBVYVZTSC-UHFFFAOYSA-N	323.421	3.762	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc2c[nH]nc12	752811607	QKBQSIHNXFGOKY-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
C[C@H]1C[C@H]1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	758368625	ZNLRLUHRTWOGEZ-STQMWFEESA-N	319.364	3.866	50	20	DHGD	
CC(C)(C)C[C@H](NC(=O)NNc1ccccc1)C(F)(F)F	760044791	BKGNWIJNTHTRNJ-NSHDSACASA-N	303.328	3.680	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CC=CC2)c(C)n1CC(C)C	760090422	PPPILIPUWSYRBR-LICLKQGHSA-N	311.429	3.503	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(Cl)c2cccnc12	760248906	QADLPAYMGGRKHV-UHFFFAOYSA-N	303.793	3.775	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CC12CCC2	767402530	PPARJZHOAWKRPN-QMMMGPOBSA-N	303.164	3.766	50	20	DHGD	
O=C(NNc1ccccc1)Nc1cc(C(F)(F)F)ccc1F	770013308	ISWYRYBVFXLYKE-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cscc2Cl)c(C)c1	771885665	VHGTUGZSOVIYRP-UHFFFAOYSA-N	321.833	3.581	50	20	DHGD	
Cc1ccc([N+](=O)[O-])cc1NC(=O)NNc1cccc(Cl)c1	775409852	QSOHEPBWXHSOLR-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1cccnc1Cl	777159306	OXOFYMRGJROFMU-UHFFFAOYSA-N	319.817	3.770	50	20	DHGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	779200654	LIGGYSWUXSMLSO-QMTHXVAHSA-N	316.323	3.711	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)Cc1cccn1C	788847518	XVJRTHFFDSNYFK-UHFFFAOYSA-N	306.837	3.665	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccccc1C(F)(F)F	790597190	VZAMRHPGAPDMFD-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CCCc2ccc(F)cc21	790895011	MNLAULXSJACQIX-ZDUSSCGKSA-N	314.451	3.514	50	20	DHGD	
CSSCCNC(=O)[C@H](C)CCc1ccccc1F	791100853	ZOLAHFDOBYQJRT-LLVKDONJSA-N	301.452	3.522	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(C2CC2)ccn1	794101282	LXWWAWFAWXMPEI-GFCCVEGCSA-N	311.223	3.707	50	20	DHGD	
C=C(CBr)COC(=O)CCc1c[nH]c2ccccc12	795310833	FPABPSXBCDZQAI-UHFFFAOYSA-N	322.202	3.595	50	20	DHGD	
C[C@H]1CC[C@@H](C=NNC(=O)CCSc2ccc(F)cc2)C1	800808481	UBKCUICPZJJFCD-QWHCGFSZSA-N	308.422	3.846	50	20	DHGD	
CC[C@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	814849244	NRCZXYZURAZDEB-GFCCVEGCSA-N	316.788	3.955	50	20	DHGD	
CC(CCCc1cccnc1)=NNC(=O)CCc1ccccc1	834952156	DJTUZJGTBFEMPP-UHFFFAOYSA-N	309.413	3.529	50	20	DHGD	
O=C(NN=C1CCCC12CCC2)c1cc(-c2cccs2)[nH]n1	834964886	ZZVYSXKPVLCVEX-UHFFFAOYSA-N	314.414	3.578	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CCCC2(F)F)c(C)c1	838674797	WQPINJPGPYLCRC-CYBMUJFWSA-N	311.376	3.673	50	20	DHGD	
O=C(NNc1ccccc1Oc1ccccc1)[C@@H]1[C@H]2CCC[C@H]21	846463151	LWAXAGPODYEUMI-HWWDLCQESA-N	308.381	3.968	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3sccc32)C[C@@H]1Br	857083432	WOIWWWPUJKGRLD-WCFLWFBJSA-N	300.265	3.889	50	20	DHGD	
C[C@H](CC(=O)OC[C@H](CBr)C1CC1)c1ccco1	859814300	FJTSAOQVDCSKEU-PWSUYJOCSA-N	315.207	3.738	50	20	DHGD	
COc1cc(NNC(=O)[C@@]2(C)C[C@H]3CC[C@H]2C3)ccc1Cl	861401493	DNZBSYRLNNFQQJ-MMPTUQATSA-N	308.809	3.618	50	20	DHGD	
CCCCn1cc(C(=O)NNc2cc(Cl)ccc2C)c(C)n1	885127771	XDQSNFBFDKQWBX-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)c2ccccc2O)C1	912581081	XZVFQVGHOYKMCY-CYBMUJFWSA-N	321.493	3.629	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CCC[C@H](C)C2)cc1	916338386	VVUSDXJUGFSPQW-UONOGXRCSA-N	318.417	3.535	50	20	DHGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1ccc(O)cc1	917531272	GPVBMEZDWGUQSA-UHFFFAOYSA-N	322.389	3.885	50	20	DHGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNc1ccc(F)cc1C)C2	1322870366	UGAAVPXDDFJKIF-INIZCTEOSA-N	316.401	3.603	50	20	DHGD	
Fc1cccc(C2(NC[C@H](CBr)C3CC3)CC2)c1	1329221465	AQFSBNDALWZKNP-LBPRGKRZSA-N	312.226	3.826	50	20	DHGD	
CCOc1ccc2c(c1)CCN(C(=O)C1CCC(Cl)CC1)C2	1548672112	IYOUWMZOEVKIKW-UHFFFAOYSA-N	321.848	3.768	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)co1)c1nc2cc(F)ccc2s1	1610619188	RQRWZCYCAURRRS-BAQGIRSFSA-N	314.297	3.791	50	20	DHGD	
CN(C)c1ccc(Cl)cc1NC(=O)NNc1ccc(F)cc1	92763597	AFRRRUDLKKZDRS-UHFFFAOYSA-N	322.771	3.694	50	20	DHGD	
Cc1noc(-c2ccccc2)c1NC(=O)NNc1ccccc1	126251568	RGCIZYCLVYQHKP-UHFFFAOYSA-N	308.341	3.799	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cnn(CC(C)C)c2C)c(C)c1	128354931	NDDIOTFPOFCXJG-UHFFFAOYSA-N	314.433	3.530	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(F)c2)ccc1Br	152652672	QQMYHIZRKAOANH-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2coc(-c3ccccc3)n2)c1	159294400	BUDFIXLEZKRBSP-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1cccc(F)c1	161090876	ZVBYJNIICTZNKJ-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1Cl)c1c(F)cccc1F	163779856	HBACTWCKYJRENW-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
CC(=O)NNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184205705	ZUMHPIHBGFHBDD-UHFFFAOYSA-N	319.255	3.517	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)c1cccc(F)c1	184369733	ROWAROOEXNGGGU-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
CCCCc1ccc(C(=O)CCC(=O)N2CC=C(C#N)CC2)cc1	272680911	NNCXVUYKOPWRFD-UHFFFAOYSA-N	324.424	3.674	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	280102758	UWMNTSIROCQTFS-XFFZJAGNSA-N	301.777	3.900	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccsc1Cl	286979649	BXBOVMLRDJFYKX-UHFFFAOYSA-N	323.809	3.608	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1ccccc1Cl	490702090	YJBMCYRVARJTKM-XFFZJAGNSA-N	318.163	3.934	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1scnc1C1CC1)C1CCCCC1	491100937	BZDWEODFHBNEOR-LCYFTJDESA-N	315.442	3.719	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)CC(C)(C)O2	729149448	HTLVOBGAUWMRMR-WJDWOHSUSA-N	312.413	3.613	50	20	DHGD	
CC1(c2ccccc2)CC(=NNC(=O)CCc2ccccc2)C1	729638798	FTQWIXGYFNAQTH-UHFFFAOYSA-N	306.409	3.843	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1F	740082698	RTPTUMDMVLCNLF-HNNXBMFYSA-N	318.367	3.923	50	20	DHGD	
COc1ccc(C)cc1C=NNC(=O)c1cccc2ccccc12	741465397	IBSFWZBZCKIAIG-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
Cc1cccc(C=NNC(=O)Nc2ccc(N(C)C)cc2)c1C	741767817	ZRQAELJEKDSKIX-UHFFFAOYSA-N	310.401	3.525	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2ccc(Cl)c(F)c2)s1	746744783	PNDKNFXGUKCQDE-UHFFFAOYSA-N	313.785	3.675	50	20	DHGD	
CC(=NNC(=O)C1CCC1)[C@H](C)c1nc2ccccc2s1	748788966	WXSOFYSVNQKMDB-JTQLQIEISA-N	301.415	3.692	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccc(N)cc2)C[C@H](c2ccccc2)C1	749853039	BGFIOFGHCYZZSB-RHSMWYFYSA-N	321.424	3.958	50	20	DHGD	
C[C@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NNc1ccccc1	751102396	JWBQWGORBBOEEV-YVEFUNNKSA-N	313.376	3.775	50	20	DHGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(Oc2ccccc2)cc1	751262745	RUVSFGVHGOQFOO-PEZBUJJGSA-N	322.364	3.539	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)CCC1CC1	753174197	CCEYGBUWVMGZAE-UHFFFAOYSA-N	311.223	3.645	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@@H]2C[C@@H]2c2ccccc2)c1	755507220	QZDVRCYEZGDNQZ-PKOBYXMFSA-N	322.408	3.588	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1c(C)oc2ccccc12	758108471	CTJKVGWQLSTMHN-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
Cc1ccc([C@H]2CCCN2CCI)cc1	759320324	FQRSODXKOQSPMN-CYBMUJFWSA-N	315.198	3.567	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761383458	APFFSCMGANWUPH-YHYXMXQVSA-N	315.175	3.812	50	20	DHGD	
CCOCCC1(C(=O)OC[C@H](C)CBr)CCCC1	770406573	VWKDUQQBCPGHEK-GFCCVEGCSA-N	321.255	3.548	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1Cl)c1cccnc1	778392225	UWAUJHWDZAJSAU-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC[C@@H](C)[C@@H]1C	781126733	CYRZFJIDOLONHI-OLZOCXBDSA-N	320.458	3.716	50	20	DHGD	
COc1cc(NNC(=O)N[C@H]2CC[C@H](C)CC2)ccc1Cl	788990757	TUCRFALFJKVGAD-XYPYZODXSA-N	311.813	3.553	50	20	DHGD	
CC(C)[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)(C)O	791050572	PTBKUYDQRKHSHL-OCCSQVGLSA-N	319.536	3.612	50	20	DHGD	
CCc1ncsc1C(=O)NNc1cc(Cl)cc(Cl)c1	791734015	PLDCELVSDLURST-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccsc1	802394697	LZIIWUAOAVPRCY-QMMMGPOBSA-N	313.785	3.928	50	20	DHGD	
Cc1ccnc(C)c1NC(=O)NNc1ccccc1C(F)(F)F	806535307	QCJBUGSCQNXPBS-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccc(N(C)C)nc1	808741367	FJNMBYVWSNPZDJ-UHFFFAOYSA-N	323.557	3.601	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc2cc(C)ccc2n1	815396479	JOIHVUILNWYZCD-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
C[C@H](CSc1ccc(F)cc1)C(=O)N(C)CC(Cl)Cl	816628841	MCWXCPFXBGICPB-SECBINFHSA-N	324.248	3.816	50	20	DHGD	
CN(CC(C)(C)C#N)C(=O)CCCC[C@H]1CCSS1	817611448	LADONPLFHQPKDS-LBPRGKRZSA-N	300.493	3.709	50	20	DHGD	
O=C(CCCc1cccnc1)NNc1ccccc1C(F)(F)F	820683336	ZISPAFLSTYIJBN-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
COCCC1(C(=O)NNc2ccc(C)cc2Cl)CCCC1	836935734	AOJXEMRDYYUZAU-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
CC(C)c1ccc([C@H](C)OC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	837972641	WBCVALORXGPJNY-RMNBPEERSA-N	323.396	3.755	50	20	DHGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1ccc(C(C)C)cc1	838491750	NHQSHIOGBXECDY-ZDUSSCGKSA-N	307.438	3.640	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	840735547	QRKUUUSOMOTXHP-VMPITWQZSA-N	303.305	3.960	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CCCc1sccc1C	846641391	DAZLRGHCJOVIAN-UHFFFAOYSA-N	322.405	3.670	50	20	DHGD	
Cc1cccc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	852524908	PNQYOUFDHBFFAN-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccccc1OC1CCC1	855367438	SXWZSOCVYWMKGQ-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C1(Cc2ccc(F)cc2)CC1	855369562	QCCDBESSODRMSF-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1conc1C	875100248	NIIWWOZTZUNJDD-UHFFFAOYSA-N	315.398	3.933	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCCN(c2ccccc2)CC1	1263711310	XVYPVNILFFVKKD-UHFFFAOYSA-N	320.864	3.523	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1	1332889487	SBIYRRUBEVUXOL-GDNBJRDFSA-N	317.348	3.722	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1593904358	BTQMXRYJEFNWMS-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1Cl	1600858675	BNZCAYIDGLIJOI-KPKJPENVSA-N	315.712	3.730	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc2c(c1)CCO2	54801856	NQHYJVCCFUVOHK-GZTJUZNOSA-N	318.376	3.784	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccc(O)c3)c[nH]c2c1	63412960	AMYAUYOBBDERGP-RIYZIHGNSA-N	302.333	3.972	50	20	DHGD	
CC(C)OCCCNC(=O)CCCC[C@@H]1CCSS1	72778060	ZOBLCHOMOZRQPL-CYBMUJFWSA-N	305.509	3.632	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(F)cn1	103072211	HBILWSGAWFJNJU-LLVKDONJSA-N	300.424	3.873	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc2cc(F)ccc2o1	117972888	KUPVQOGGPJDAAI-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
CCCn1ccc2cc(NC(=O)NNc3ccncc3)ccc21	121979264	VDNOGEQOTVZOOC-UHFFFAOYSA-N	309.373	3.595	50	20	DHGD	
CCCCO[C@H](C)C(=O)NNc1c(Cl)cccc1Cl	133240593	OYZQGJIUHDVFAH-SECBINFHSA-N	305.205	3.642	50	20	DHGD	
CSCCCCC(=O)NNc1ccc(OC(F)(F)F)cc1	134253507	MLJJTVMBWOTHKT-UHFFFAOYSA-N	322.352	3.562	50	20	DHGD	
Cc1cc(F)c(C(=O)NNc2ccnc3ccccc23)cc1F	136775141	NWDYYNFCBQIGSG-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)cc1F	171765032	CJHVBROAFSZFMQ-MKMNVTDBSA-N	309.296	3.653	50	20	DHGD	
COc1cc(F)cc(NNC(=O)/C=C(\C)c2ccc(F)cc2)c1	177249330	YCMCISQQCBTABR-YRNVUSSQSA-N	318.323	3.520	50	20	DHGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1ccccc1	254617900	XKUNBXOSVVRDKN-UHFFFAOYSA-N	318.376	3.759	50	20	DHGD	
CCC1(C(=O)NNc2cc(Cl)ccc2Cl)CCOCC1	272296624	HXURIBANSRFHLU-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	490842322	LCOYIIUISWRSSS-KWWJGWKXSA-N	324.355	3.619	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)/C=C/c1cnc(C(C)(C)C)s1	493205773	WIGJTBAXHKQGGU-AATRIKPKSA-N	321.273	3.716	50	20	DHGD	
CCCN(N=Cc1ccc(NC(C)=O)cc1)C(=O)OC(C)(C)C	497281494	XXYMIPPUNFNCRS-UHFFFAOYSA-N	319.405	3.626	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cccc(Cl)c1	727685278	HKWUQPATPMSZEP-UHFFFAOYSA-N	300.789	3.813	50	20	DHGD	
CCCCC[C@H](NC(=O)NNC(=O)CC(C)(C)C)C(C)(C)C	734536871	UWXXPJAHSFWXIH-ZDUSSCGKSA-N	313.486	3.748	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(C)ccc2F)cc1	734981203	ORLVAOKAWLPOIT-YBEGLDIGSA-N	315.369	3.781	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3c[nH]nc3C(C)(C)C)[nH]c12	735618390	ADCPCLZDNFWDAW-XYOKQWHBSA-N	305.385	3.956	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1nc2ccccc2n1C1CCCC1	740810605	QRDASUTUSGMIAY-SEYXRHQNSA-N	324.384	3.534	50	20	DHGD	
CCCCCCOc1ccc(C(=O)NN=Cc2cc[nH]c2)cc1	745193602	AULSVYKUSBYBIV-UHFFFAOYSA-N	313.401	3.738	50	20	DHGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2ccc(Cl)c(F)c2)C1	746696939	FESJHRZIFNUXFQ-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
Cc1ccccc1[C@@H]1CN(/C(=C\C#N)c2ccccc2)CCO1	750800586	VLFKMYYIHXTRSP-FJZBCQJGSA-N	304.393	3.933	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@@H](C)C1	751165906	FWPGLMNNFHQNMY-VXGBXAGGSA-N	307.346	3.725	50	20	DHGD	
CCOc1ccc(Cl)cc1C(C)=NNC(=O)c1ccc(C)o1	752172939	UZSFNSIJZOKEQM-UHFFFAOYSA-N	320.776	3.794	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)C1CCOCC1	755885579	GJIODKONXXCGHF-UHFFFAOYSA-N	320.458	3.549	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2SC(F)(F)F)CC1	760004140	WEYYXYHVNRAESK-UHFFFAOYSA-N	312.316	3.594	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OC/C(Cl)=C\Cl	766747208	WCTDEBOYJISYJF-KNIZRNDPSA-N	304.011	3.658	50	20	DHGD	
C[C@H](OC1CCCCCC1)C(=O)OC[C@@H](C)CBr	770405500	KEBQBQGQTOPPRM-RYUDHWBXSA-N	321.255	3.689	50	20	DHGD	
CC(C)[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	778494089	QITUZDXXQZFFIM-KBPBESRZSA-N	317.520	3.584	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2ncccc2C(F)(F)F)C[C@@H](C)C1	780539757	NRWFUSFFPKDHTI-UWVGGRQHSA-N	315.339	3.616	50	20	DHGD	
O=C(NN=Cc1ccc2cnccc2c1)c1cc2ccccc2o1	782242694	KSPBUSDZIFQIEM-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2scnc2C2CC2)ncn1	782355053	RGOTXWHTEDAAQG-ONNFQVAWSA-N	300.412	3.597	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC=C(F)C2)c1C	783659347	RNCMTIXZPVEHTD-YBEGLDIGSA-N	315.392	3.508	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCCC2(CCCC2)C1	783845504	HNJPUMXLSDYZOW-UHFFFAOYSA-N	323.868	3.535	50	20	DHGD	
COc1cccc([C@H](C)CCCC(=O)NNc2ccccn2)c1	790013615	GUOZULMYDRQOQK-CQSZACIVSA-N	313.401	3.507	50	20	DHGD	
CSSCCNC(=O)C1(Cc2ccccc2Cl)CC1	791151733	BWFGWYCPYORXTJ-UHFFFAOYSA-N	315.891	3.790	50	20	DHGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)C1CCCC1	794874854	KGINIMGAHGSCDS-KAMYIIQDSA-N	309.344	3.678	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(Cl)nn1)C1CCCCC1	795112057	UZSDBGKRABQAIY-UHFFFAOYSA-N	310.829	3.570	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](c1cccnc1)C(C)C	799760543	LAVGFPSGXUPIQP-QGZVFWFLSA-N	311.429	3.835	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1cc(C)ccc1F	801930667	UPLUHJJECYIJCL-JKSUJKDBSA-N	312.388	3.943	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nc(C)n2ccccc12	812766586	SCRRZCFBHYAQOE-UHFFFAOYSA-N	322.412	3.831	50	20	DHGD	
Cc1ccc(Br)c(C)c1C(=O)NNc1ccccc1	815850028	VFJSAMRENXGHDQ-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNc1cccc(Cl)n1	817011495	WPEPDHRPWYANQM-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Br)cc1)C1CCC1	824208478	BHEZILFMPVMNNE-UHFFFAOYSA-N	311.223	3.719	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@]1(C)CC1(Cl)Cl	838158984	SBRFNHAFPUELQF-VXNVDRBHSA-N	318.038	3.535	50	20	DHGD	
O=C(NN=C1CCC[C@@H]2C[C@H]12)c1ccc(COc2ccccc2)o1	841614272	JWBWANWJKLPGOP-CJNGLKHVSA-N	324.380	3.764	50	20	DHGD	
Cc1ccc(-c2nn(C)cc2/C=C(\C#N)C(=O)C2CCCC2)o1	843266284	UCCKAMATELOYOA-NTEUORMPSA-N	309.369	3.655	50	20	DHGD	
CCC(CC)(C(=O)NNc1ccc(C)cc1)C(=O)OC(C)(C)C	846631384	LVGCEIAJHKHZDO-UHFFFAOYSA-N	320.433	3.586	50	20	DHGD	
COCc1csc(C(=O)NNc2ccc(C(C)C)cc2)c1	854882765	PGLVERFXHDGSMB-UHFFFAOYSA-N	304.415	3.775	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccccc2CN)cc1	904648430	HIDSWZVJSRXWNZ-UHFFFAOYSA-N	312.417	3.591	50	20	DHGD	
CCCCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	914576249	BCNSOGOYLXLQLM-WOJGMQOQSA-N	315.461	3.926	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cn(CC)c3ccccc23)cc1	915049289	MNIRMERQAWCKOD-UHFFFAOYSA-N	319.408	3.988	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)[C@@H](C)Oc1ccccc1F	915949197	DOUMLHRGGZIFLH-QWHCGFSZSA-N	308.397	3.911	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)C3CCCC3)cc2)cn1	1116890401	XBCLNCODMIWGRK-LICLKQGHSA-N	305.381	3.753	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)ccc1F	1319468489	YVIOMVZWNJREQZ-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)NNc3ccccn3)CCC2)cc1	1324977293	ADWXPOCBEPQCDJ-UHFFFAOYSA-N	309.413	3.770	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)O)c1	1595125752	HZTOQEVYQJDWIM-CQSZACIVSA-N	318.417	3.825	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1Cc1ccccc1	7697557	HTECHSIMVLTEQH-SAPNQHFASA-N	306.365	3.660	50	20	DHGD	
CC(C)C[C@@H](NC(=O)NNC(=O)OC(C)(C)C)c1ccccc1	43716939	MVEQSZKQSVCQQE-CQSZACIVSA-N	321.421	3.513	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cccc(OCC)c1OCCC	57405794	HJHMRAKJJLQHCL-QINSGFPZSA-N	315.369	3.510	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnn(C)c3)n2)cc1	63278963	HMNRYCQRXXFODG-VGOFMYFVSA-N	322.393	3.616	50	20	DHGD	
C[C@@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)C1CCCCC1	93295805	GVEDKCVKGAEEFI-NSHDSACASA-N	320.824	3.656	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1F	103717141	KEBRDIDFSHPQLH-RQNDZEIBSA-N	308.356	3.919	50	20	DHGD	
O=C(CCc1ccsc1)NNc1cccc2c1CCCC2	119953139	VFVSTKDMRCFHRO-UHFFFAOYSA-N	300.427	3.703	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H](c1ccccc1)C1CC1	121700017	DQLKEKBKOVGDBZ-INIZCTEOSA-N	300.789	3.977	50	20	DHGD	
Cn1c(/C(C#N)=C/C2=Cc3ccccc3OC2)nc2ccccc21	125178451	LVRQTMFFSIDLBS-LFIBNONCSA-N	313.360	3.956	50	20	DHGD	
CC[C@](C)(NC[C@@H](C)CBr)c1nc(C)cs1	134001423	VJZKECUXYGLVMM-CABZTGNLSA-N	305.285	3.697	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2cc(C)ccc2F)c1	150844823	VPGOSISLIVPFEA-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1Cl	171670653	FIUKRNUOXPMPJE-FMIVXFBMSA-N	323.776	3.607	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177613270	ROMRGOFXWWCRFZ-IZZDOVSWSA-N	317.439	3.551	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc(Cl)cc1F	178516772	XQGMIONRRUGATI-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(C#N)cc1)c1ccccc1Cl	178934362	LRUHAIREWWIRMF-ZRDIBKRKSA-N	311.772	3.758	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2[nH]ccc2c1	181323639	OOGQFICIUCIJMM-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	182208609	GOTSMGIMHNSPRH-GXDHUFHOSA-N	310.353	3.751	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC1CCC1)[C@@H](C)c1ccccc1	269467742	JZLXGYMTVYCYTQ-JZBMNUFDSA-N	312.413	3.820	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(CC)CC)c1C	303288331	WIGZFJYBINZEFP-WQRHYEAKSA-N	315.461	3.974	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	491010709	MQUUTCZGMKCVHX-ATTDUZETSA-N	324.355	3.619	50	20	DHGD	
COC(=O)N(C)N=C1C[C@@H](c2ccccc2)Oc2ccccc21	495746953	OTUZZUQPPXFQAC-KRWDZBQOSA-N	310.353	3.613	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)o1	588425789	WVWPCLCAGPKUNJ-VURMDHGXSA-N	321.741	3.571	50	20	DHGD	
C[C@H]1CCCC1=NNC(=O)c1ccc(COc2ccccc2)o1	729143956	OTHISEVMHIKPEJ-ZDUSSCGKSA-N	312.369	3.764	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c(Cl)c1OC	730434906	VFVOAUDJMXMMTE-DHZHZOJOSA-N	307.777	3.879	50	20	DHGD	
CCS[C@H](C(=O)NNc1nccc2sccc12)C(C)C	734250206	QFUALELQDNNQSL-LBPRGKRZSA-N	309.460	3.517	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)[C@@H](CC)c1ccccc1	735249351	XYEHAKDKGPNWDZ-RDJZCZTQSA-N	318.461	3.934	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCC[C@@H](C3CC3)C2)cc1C	737421963	XOLQFOLACJUENV-MRXNPFEDSA-N	314.429	3.755	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2	741468588	FTZYWYZGUJPMPF-CGYDICSFSA-N	305.761	3.981	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@]2(C)CCc3ccccc3C2)c1	748359285	FUEVFOUJGMYHRE-HXUWFJFHSA-N	308.425	3.942	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2cccc3c2CCCC3)cc1	748588723	QYIOWFNUWZCNLT-HNNXBMFYSA-N	324.424	3.784	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccsc1	749099030	JIXWOORTRPYACU-UHFFFAOYSA-N	310.378	3.761	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccccc2Cl)c1Cl	754273561	DLQAJOZEVQGUCN-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CCCCC[C@H](C(=O)NNC(=O)NC1CCCCC1)C(C)C	755035911	JSFXTYFNUBJVBL-HNNXBMFYSA-N	311.470	3.502	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C[C@H]1C[C@@H]1c1ccccc1	755570092	CSFZPIDXXHMALX-NVXWUHKLSA-N	312.800	3.788	50	20	DHGD	
Cc1ccc(-c2cccc(/C=C(/C#N)C(=O)NC3CC3)c2)cc1	757525158	DLMXRSYLJJZQBS-PDGQHHTCSA-N	302.377	3.848	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C	763912466	SGDGQXIWUQSZDD-LLVKDONJSA-N	313.785	3.764	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1C[C@@]1(C)c1ccccc1	768182737	BTEAEIXPUPGRDI-ZENOOKHLSA-N	324.262	3.642	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@H]2CCC[C@@H](C)C2)o1	768364553	KJWBFDHLCYPPFC-CABCVRRESA-N	319.449	3.663	50	20	DHGD	
Cc1cccc2[nH]cc(CC(=O)OC[C@H](C)CBr)c12	770368822	ZUKPMTFCSWNXLP-SNVBAGLBSA-N	324.218	3.593	50	20	DHGD	
Cc1nc(C(=O)NNc2c(Cl)cccc2Cl)sc1C	770623374	YZWOAWSNYIHRAV-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cccc(F)c2F)ccc1[N+](=O)[O-]	774562184	SAVIWBTYJVFRSZ-GHXNOFRVSA-N	316.263	3.946	50	20	DHGD	
Cc1cc2c(cc1C)C(=NNC(=O)CC(F)(F)F)CCS2	777432383	BKFBGLCHEHHPKT-UHFFFAOYSA-N	316.348	3.572	50	20	DHGD	
CCc1ccc(CC(=O)NNc2nc3ccccc3cc2C)cc1	777482398	LGMGGZPPRWDBDF-UHFFFAOYSA-N	319.408	3.791	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cc3ccccc3o2)c1	786051209	SEGGFJGDBMTKNP-BOPFTXTBSA-N	316.360	3.965	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1ccc2c(c1)CCCC2	791007156	CFUZYRKBGBDXDP-CQSZACIVSA-N	324.428	3.656	50	20	DHGD	
CSSCCNC(=O)Cc1coc2c(C)c(C)ccc12	791097916	QIFWMHHSPBWHGV-UHFFFAOYSA-N	309.456	3.720	50	20	DHGD	
CSSCCNC(=O)Nc1cccc(COC(C)C)c1	794130840	YLTNRJVFQWGSPJ-UHFFFAOYSA-N	314.476	3.744	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccc2occc2c1	794910450	YXBCMYNGQBOWMY-UHFFFAOYSA-N	317.348	3.538	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC1CC1	797398419	NBWGORISLMZYFP-AUWJEWJLSA-N	319.788	3.987	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1cc(OC)cc(OC)c1	797400151	PAIUOZMDZFMJCU-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1cccc(C2CCC2)c1	799002300	POIWJMTZUYGXOH-UHFFFAOYSA-N	310.401	3.624	50	20	DHGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)C(F)F	799486166	ZQJBSNOZDMRVNT-UHFFFAOYSA-N	307.344	3.593	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cc2ccccc2o1	799758499	OHUFBNJTUQWLQV-UHFFFAOYSA-N	308.381	3.989	50	20	DHGD	
CC[C@@H](NC(=O)NNc1cccc(F)n1)c1cccc(Cl)c1	804947506	ALEJUWWPGSELMZ-GFCCVEGCSA-N	322.771	3.652	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(OCC#N)c2)cc1C	809146734	TXSDLIZPXFSHHX-WOJGMQOQSA-N	316.360	3.996	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(O)cc1	813033051	BUJCCQDTNXQNJX-UHFFFAOYSA-N	313.401	3.650	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)C1CCOCC1	813102226	PMCXHPNFUPRHPJ-CQSZACIVSA-N	319.449	3.560	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cccc2cc[nH]c12)c1ccccc1	814845452	MBPKBKCWLVVKKM-KRWDZBQOSA-N	305.381	3.812	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3cccc(Cl)n3)CCC2)cc1	819541387	SGYPMNRUFHSSOM-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
ClCCCOc1ccc(CNCCC[C@H]2CCOC2)cc1	825145239	XQJIRSJACCXREN-INIZCTEOSA-N	311.853	3.601	50	20	DHGD	
CCC[C@H](CNC(=O)CCCC[C@@H]1CCSS1)OC	833372312	QDQHTGMRPZNELX-CHWSQXEVSA-N	305.509	3.632	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1ccc(C(F)(F)F)cc1=O	840209178	XCRFFDGLZNGRDY-UHFFFAOYSA-N	321.415	3.889	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CCC[C@@H]1C	840547011	HNPKYCRZFIVUOL-QWRGUYRKSA-N	310.829	3.523	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@@H]1C[C@H]2C=C[C@H]1CC2	842519556	ORWRJSQAZUBSLO-DZKIICNBSA-N	307.397	3.876	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)C1CC2(CCC2)C1	843860139	WNOCKVQNZUMGFL-UHFFFAOYSA-N	314.307	3.609	50	20	DHGD	
C[C@@H](O)CCCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345626	UWOCRAUWHHSFKS-OAHLLOKOSA-N	315.574	3.881	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@@H]1CC12CCC2	846465111	YXEXGEJIMOSTTA-KRWDZBQOSA-N	306.409	3.911	50	20	DHGD	
O=C(CC1CCOCC1)NNc1ccccc1Cc1ccccc1	846465169	YYANKJQLKMIVOW-UHFFFAOYSA-N	324.424	3.537	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855468234	PVTFYBAWUNTGET-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
CC(C)(C)c1nc(CNC[C@@]2(C)C[C@H]2Br)cs1	856807416	NZBLQVQLWZOFJO-ZWNOBZJWSA-N	317.296	3.704	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cccc([C@@H]2CCCN(C)C2)c1	856814621	ANNUBIDRIMMICU-GOSISDBHSA-N	323.440	3.561	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2SCC#N)c1	857830944	KMWILBWCXWPQQV-UHFFFAOYSA-N	311.410	3.676	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)Cc2cccc(Cl)c2)n1	862522327	QIIDODOBNLZJPK-UHFFFAOYSA-N	317.820	3.755	50	20	DHGD	
Cc1cccc(NNC(=O)CCCc2ccc(Cl)cc2)n1	862523790	NRRKIJXWXKUDKU-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
Cc1cc(O)nc(NC(=O)CCCC[C@H]2CCSS2)c1	910598603	YKQKBKIMUUCIOQ-NSHDSACASA-N	312.460	3.748	50	20	DHGD	
CCC(C)=NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	916304978	TUEIKOOTFRIEEB-UHFFFAOYSA-N	321.380	3.506	50	20	DHGD	
Cc1cc(COC(=O)CCCC[C@@H]2CCSS2)no1	921255470	HDSACFPUVRYBJD-GFCCVEGCSA-N	301.433	3.740	50	20	DHGD	
Cc1ncc([C@@H](C)NC(=O)NNc2cc(Cl)ccc2C)s1	923625785	KLGAFJZIKDJIKB-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1nc(N)c2ccccc2n1	1252173070	QKELOBZVVSDQBM-LFIBNONCSA-N	312.376	3.765	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CSCc2cccs2)c1	1319381403	LPGGUKMYADOTHH-UHFFFAOYSA-N	306.456	3.741	50	20	DHGD	
Cc1ncc(C(=O)NNc2c(C)cccc2C(C)C)c(C2CC2)n1	1324371627	ZWZDKYFROMHRQJ-UHFFFAOYSA-N	324.428	3.851	50	20	DHGD	
CC[C@H](C)[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)OC	1328028438	ZGCXCPNOPNUYAS-BFHYXJOUSA-N	319.536	3.878	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1cccc(C(=O)O)c1	1776095028	ZOUYVFZHVMZKJB-AWEZNQCLSA-N	316.401	3.873	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)C(=O)CC(C)(C)C)c1	60422115	XVBCOAYXUXVKQQ-GDNBJRDFSA-N	301.386	3.624	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1F	113432249	QKQBHKHPIYOXKL-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cccc(Cl)c1Cl	114884476	YEQRMCCKQQXFDE-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	126645218	VRZBRRNHALWQPQ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
COc1cccc(CC(=O)NNc2ccc(C(C)(C)C)cc2)c1	181123473	VGWRLZIFUGIRMB-UHFFFAOYSA-N	312.413	3.679	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)Oc1ccc(F)cc1	184309182	PPOUNUSBQHLHMA-UHFFFAOYSA-N	320.339	3.574	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC(Oc2ccc(F)nc2)CC1	190565182	MPFOMACRFKCHBW-QGMBQPNBSA-N	323.371	3.629	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)c1nc2ccccc2[nH]1	191211280	BRPOKSCKBDUUJY-WYMLVPIESA-N	311.348	3.813	50	20	DHGD	
CCn1c2ccccc2c2cc(C=NNC(=O)C3CC3)ccc21	254529383	ZAEMGMGVTCCUIA-UHFFFAOYSA-N	305.381	3.675	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	255171991	RIBWGRBAVJQBPX-SWEABUAFSA-N	308.356	3.919	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2Cl)o1)C(=O)NC1CC1	255757368	UWFDXNUIPCAYFD-LUAWRHEFSA-N	312.756	3.786	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(C3CCCC3)cc2)nc1	290710469	KGKYTWWSECIWTC-UHFFFAOYSA-N	311.385	3.505	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccsc2Cl)c1	491104402	NYXDJMKUURBUGD-XFFZJAGNSA-N	318.785	3.956	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)C1CCCC1	734317889	FASKSNWWLMBVLF-INIZCTEOSA-N	308.466	3.567	50	20	DHGD	
O=C(NN=C1CCCCc2ccc(Cl)cc21)c1ccccn1	735223818	HSQCNXWTCSNRBW-UHFFFAOYSA-N	313.788	3.596	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1occc1-c1ccccc1	735698180	QKZLAAPGJFEJEZ-UHFFFAOYSA-N	314.291	3.982	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](CC(C)C)c1ccc(Cl)cc1	741648931	RCVWWBNSCNRSEW-SYCZXOQXSA-N	320.820	3.987	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc2c(c1)COC2	743436878	FMDJBFJTWCRBJY-UHFFFAOYSA-N	309.369	3.571	50	20	DHGD	
CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(C)s1	744780709	RZYXGDMMXJTWDP-UHFFFAOYSA-N	311.410	3.702	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cc(Cl)cs1	758055042	IPDQNBMMMSDIMU-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2ccncn2)c(OC(F)F)cc1C	758910713	FTHJSVCJSABLSV-QPEQYQDCSA-N	301.296	3.759	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	761590063	AOTPPVQHNZGEMG-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccccc1OC(F)(F)F	779200652	LIGGYSWUXSMLSO-HZMBPMFUSA-N	316.323	3.711	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1ccccc1Cl	781066868	QMDKSSSLXABCRE-NSHDSACASA-N	318.642	3.766	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791062305	CQNHGRBTMXHAGB-LLVKDONJSA-N	311.357	3.784	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNc1nc2ccccn2n1	791243687	UPPKQBJUQJBZMT-KRWDZBQOSA-N	317.437	3.559	50	20	DHGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1ccc(O)c(O)c1	794551772	SMJUVSUWLAFCQB-CYBMUJFWSA-N	318.417	3.954	50	20	DHGD	
CCc1onc(-c2ccccc2)c1C(=O)NN(C)c1ccccc1	794938745	RGSDRWRRHOLUBB-UHFFFAOYSA-N	321.380	3.685	50	20	DHGD	
COc1cccc(C2(C(=O)NNc3ccccc3Cl)CC2)c1	802827210	XLQIVJCIKZHFKY-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1nccnc1C1CCC1	805472961	HURWTTOPPSKJFJ-CYBMUJFWSA-N	304.438	3.794	50	20	DHGD	
C[C@]1(C#N)CCCN(Cc2ccc(OCCCCl)cc2)C1	811488786	LCCHANUTOPAEID-QGZVFWFLSA-N	306.837	3.820	50	20	DHGD	
CCN(CC)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245746	WRNOBQVVVRZUBK-PTNGSMBKSA-N	322.368	3.900	50	20	DHGD	
Cc1c[nH]nc1C=NNC(=O)Nc1ccc(-c2ccccc2)cc1	814857217	YHDKSKIZTLTIHC-UHFFFAOYSA-N	319.368	3.541	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2coc3ccccc23)cc1	817882458	OVXJXBORGDJGBX-UHFFFAOYSA-N	310.353	3.517	50	20	DHGD	
CO[C@H]1CC(=NNC(=O)c2cccc3ccccc23)C12CCC2	834963573	WYPZJTXCAOWQEG-KRWDZBQOSA-N	308.381	3.515	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@H](C)SC)c1C	835679014	VOLMJHPNEYHUDU-WFSQQTBHSA-N	320.458	3.717	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCOC(C2CC2)(C2CC2)C1	852651354	LYYQFRYHAIGXRY-GIJQJNRQSA-N	312.388	3.581	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)C(C)C	857168838	LUWXQCLFLYGPQO-GFCCVEGCSA-N	308.813	3.512	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccnc1Br	865225281	ZVIJIMWRYSJIKH-FLIBITNWSA-N	307.191	3.756	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(OCCC(C)C)cc2)o1	916285288	CWTVTKYRJIRSOE-UHFFFAOYSA-N	314.385	3.777	50	20	DHGD	
O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)C1CCC(Cl)CC1	1123753809	ANLDTPWVOHCUCO-PFSRBDOWSA-N	311.853	3.534	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNC(=O)c2ccccc2Cl)CC1	1324382166	CQNXFTXKXMTBTG-JOCQHMNTSA-N	322.836	3.563	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCOC(C)(C)C1	1337280029	WTJYPLXGAPIFKF-AWEZNQCLSA-N	304.434	3.767	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)Nc2cc(F)cc(F)c2)cs1	1343890190	JSOSUWLASOZTEU-UHFFFAOYSA-N	324.356	3.700	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ncccc3Cl)cc2C1	114882782	FLRRFOCEXCMDMR-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
O=C(NNc1ccccc1)Nc1cc(Br)ccc1F	120556638	UJGGQLADYIMANG-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CC[C@H]1CCc2c(sc3nc(C(Cl)Cl)[nH]c(=O)c23)C1	122301999	FCXVAXGDQLDBKP-LURJTMIESA-N	317.241	3.976	50	20	DHGD	
C/C=C/C=C/C(=O)NNc1ccc(Br)cc1Cl	126934627	CJOSNJGDMSSCFW-MQQKCMAXSA-N	315.598	3.678	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3ccccc3)on2)c1	127176476	CHOHPRQIJMEEHC-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCCOc2ccc(F)cc2)c1	150788185	JBMFBXNTESXSMY-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccccc2Br)C1	153529657	DRPSVDKSPWXCCB-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCSC)c1C	174356111	VBHDTXNZTOMCKK-LFIBNONCSA-N	320.458	3.718	50	20	DHGD	
CCC1(C(=O)NNc2ccc(Br)c(C)c2)CCC1	176149383	PFXDFCYOKXXMLO-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)OC)o2)cc1	194656598	CWCXMPIJKIQUGS-RVDMUPIBSA-N	323.348	3.809	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(F)c2)cc1	212598918	OCAQEFNEYABGOB-GDNBJRDFSA-N	324.355	3.942	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)c1	731784083	DNRQFQSISMUMOC-UHFFFAOYSA-N	316.311	3.566	50	20	DHGD	
CCc1ccc(CCNC(=O)NNc2ccccc2Cl)cc1	737055729	GMMRHULQTYDOPF-UHFFFAOYSA-N	317.820	3.771	50	20	DHGD	
C=CCCCCCN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	752436955	CDAVCGWWOOXVIL-SSZFMOIBSA-N	300.377	3.937	50	20	DHGD	
COc1ccc(NNC(=O)c2scnc2C2CCCC2)cc1	760242577	FJTVBJCINHYKMK-UHFFFAOYSA-N	317.414	3.566	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CCC(C)(c2ccccc2)CC1	766693229	NCQNTYLAIJHQBT-UHFFFAOYSA-N	309.413	3.643	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1nccnc1C(C)C	770082996	JWOXILDNAQQMAQ-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)c1C	771514741	VYSGVGXECYUOCT-WJDWOHSUSA-N	319.360	3.865	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1cnc2ccccc2n1	774783431	VEHQJYWEZCDFGN-GFCCVEGCSA-N	300.406	3.535	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCc3c(Cl)cccc32)c1	775781986	QGTUEZKKBHVSTO-ZDUSSCGKSA-N	318.779	3.961	50	20	DHGD	
O=C(NN=CCCOc1ccc(Cl)c(Cl)c1)C1CCC1	777437037	MDPLTANBDMWCAR-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2occc2s1	777466729	LHVFJYKRIPKATB-UHFFFAOYSA-N	309.350	3.799	50	20	DHGD	
COCCC1(C=NNC(=O)c2ccccc2F)CCCCC1	780189044	SPMGQDDNXYUNGP-UHFFFAOYSA-N	306.381	3.528	50	20	DHGD	
CS[C@@H]1CCC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1	781092275	SVNROLDKZOXKFI-MXWKQRLJSA-N	322.312	3.586	50	20	DHGD	
O=C(CSC(F)(F)F)NNc1cc(Cl)cc(Cl)c1	791734674	OMQWEOFNKWUNRO-UHFFFAOYSA-N	319.135	3.690	50	20	DHGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccccc1-n1ccnn1	794730303	AADJMVZIFODVCD-CMDGGOBGSA-N	323.783	3.902	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1cnc2ccccc2c1	798658877	AFYMLOPGYGNRJH-VCHYOVAHSA-N	314.344	3.885	50	20	DHGD	
CCC[C@H](C(=O)OC[C@@H](C)CBr)c1ccccn1	799532126	LGPSWDMTTWQSCF-RYUDHWBXSA-N	314.223	3.540	50	20	DHGD	
CCCN(NC(=O)c1ccccc1SC)C(=O)OC(C)(C)C	804592762	VDODSERODZGNMG-UHFFFAOYSA-N	324.446	3.700	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCCC12CCCC2	814747043	QPPZRIHTEKIFDL-ZDUSSCGKSA-N	318.392	3.810	50	20	DHGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(Br)cc1	819409607	LPJGZCAZAKCOBA-ZWNOBZJWSA-N	311.223	3.719	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1ncccc1Cl	819878651	IDJBDMDJTGWIAL-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1Br)C1CCC1	827176502	VUDFRWOBJZXZJY-UHFFFAOYSA-N	311.223	3.719	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1cccc2c1CCCC2	827180775	MEPNFVOJPVAVIW-UHFFFAOYSA-N	316.445	3.794	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	833556976	BRQTUDDOWPLHQU-UHFFFAOYSA-N	324.808	3.698	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(C)cc2Cl)cc1C	836938034	VWGHBDITQSGJDB-NSHDSACASA-N	320.824	3.881	50	20	DHGD	
O=S(=O)(CCl)N1CC2(CCCCC2)[C@@H]1c1ccccc1	841545484	YSOVIFXQYJEIGG-AWEZNQCLSA-N	313.850	3.520	50	20	DHGD	
C[C@]1(C=NNC(=O)CCc2ccccc2O)C[C@@H]1c1ccccc1	841625085	ZCWMFGYJEAKPRE-YLJYHZDGSA-N	322.408	3.621	50	20	DHGD	
COC[C@@](C)(NCCO[Si](C)(C)C(C)(C)C)C(F)(F)F	852718632	PTHJWGSPKOVHIN-GFCCVEGCSA-N	315.452	3.565	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1cc(Br)c[nH]1	853283742	BOVPEZGUBWLXOX-JTQLQIEISA-N	324.222	3.629	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1nccc1-c1ccncc1	853663774	BOIJHEMACSPDIG-UHFFFAOYSA-N	303.482	3.967	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)C1(C(F)(F)F)CCCCC1	856094582	NKZFEEXJWABVBM-UHFFFAOYSA-N	321.730	3.691	50	20	DHGD	
CC[C@@H](Cl)c1nc(=O)c2cc(Br)c(C)cc2[nH]1	864356745	YJVGVQGDEXHQQS-SECBINFHSA-N	315.598	3.684	50	20	DHGD	
C[C@]1(C(=O)Nc2ccc(Cl)cc2F)C[C@@H]1Br	905071459	AKONTQYIJWEUMI-ONGXEEELSA-N	306.562	3.591	50	20	DHGD	
O=C(NN=C1CCc2ccccc21)C12CC3CC(CC(C3)C1)C2	916308306	DOHIJHOZCNBQGY-UHFFFAOYSA-N	308.425	3.670	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)cc1C	916338868	SDOCMERXYKUMLX-UHFFFAOYSA-N	319.408	3.868	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cnc(C(C)C)nc1C	928338071	RKMRWVDUMRLJTB-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cc2c(s1)CCOC2	928339755	KOJIEOSQWWWLIU-UHFFFAOYSA-N	322.817	3.540	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccc(F)c(F)c2)c1C	931074481	WVJKEDQGBOVAHS-SECBINFHSA-N	323.347	3.589	50	20	DHGD	
CCC[C@@H](C=NNC(=O)c1ccc(OC)cc1)c1ccccc1	1319714668	CTPHLJDOMGVDEI-KRWDZBQOSA-N	310.397	3.995	50	20	DHGD	
Cc1cc(NNC(=O)c2cnc(C3CC3)s2)ccc1Cl	1332475400	ALOOZQHAICQUIF-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2c(F)ccnc2Cl)cc1	1346520508	PQVXONSNNJRPHG-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNc1c(F)cccc1F	118515119	DKPWJLNMLIPTKU-UHFFFAOYSA-N	312.319	3.804	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cccc3c2CCCC3)cc1	120088656	DACIZEDYNIDQAH-UHFFFAOYSA-N	308.381	3.525	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1CCCc2sccc21	120165284	WEMAJBWNCOWZLB-CYBMUJFWSA-N	306.818	3.965	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2ccc(Cl)cc2)c1	120194919	OKWBMAVPKONTBT-UHFFFAOYSA-N	304.777	3.886	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)N3CCCC3)o2)cc1	128032968	XYKUWFQBICEVKM-VBKFSLOCSA-N	306.365	3.784	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)C1CCCCC1	128926623	ZVASDXUDUNJOGM-SFQUDFHCSA-N	305.381	3.929	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccnc(Cl)c1	133416211	PKIDWUJQTOQGKK-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1cccc(F)c1	154573610	CQNHKGAFYSAAOO-LBPRGKRZSA-N	304.340	3.677	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2c(C)nn(C)c2Cl)c1	193692111	KLRTXABJVREZFZ-RIYZIHGNSA-N	313.788	3.789	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	194537664	HPRDUIQGYFWLKC-OVCLIPMQSA-N	323.298	3.767	50	20	DHGD	
CSSCCNC(=O)Nc1cccc(SC)c1C	284849451	QFSGUZRTHACXDN-UHFFFAOYSA-N	302.490	3.850	50	20	DHGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)NCc1ccccc1	490725623	INYARDHVRHSTIW-DHDCSXOGSA-N	323.421	3.634	50	20	DHGD	
O=C(/C=C/c1cccc(O)c1)NNc1cc(Cl)cc(Cl)c1	493485329	KICRXXHYVZDCHP-SNAWJCMRSA-N	323.179	3.856	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1sccc1Br	728429091	RRIKGMMTBRMAKG-UHFFFAOYSA-N	317.252	3.787	50	20	DHGD	
CCOc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1O	741473404	HYTFQAZCGBNFHS-NTUHNPAUSA-N	300.383	3.928	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1ccc(SCC(F)F)cc1	741756762	QYWFHQHSOGOEOT-UHFFFAOYSA-N	314.401	3.930	50	20	DHGD	
Cc1cc(C(=O)NN=CC2CCCC2)c(C)n1-c1ccccc1	741838307	STRTWXLZNRHXIT-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1nc(-c2ccccc2)no1	742658021	IZYZBWFGDCBQBB-CYBMUJFWSA-N	316.405	3.786	50	20	DHGD	
CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(C)(C)C)cc2)o1	743056797	LYIYYSBUGYMOSQ-KAMYIIQDSA-N	308.381	3.897	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NNc2ccc(Cl)c(F)c2)c1	746696195	VFGIBYSVUIRURA-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
C=CCCC(=NNC(=O)c1cccc(Br)c1)C1CC1	747763405	DEZSJRABYXMTNK-UHFFFAOYSA-N	321.218	3.911	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccc(F)cc1C	748562533	ILGLHMJZCVUPGL-QGZVFWFLSA-N	316.376	3.743	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccco2)C1	750045463	QZPISAGLYJKNKI-DCOUHSHFSA-N	309.325	3.542	50	20	DHGD	
Cc1ncsc1C(=O)NNc1cc(Cl)ccc1Cl	752813414	VVZZUEOQSNFFEF-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)NCc1ccco1	753683524	STKKALNYJZDOCH-WDZFZDKYSA-N	321.163	3.810	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1ncnc2ccsc12	755515481	BVBLLTXLJVMLFC-SNVBAGLBSA-N	306.435	3.597	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761393581	RUIBEWKTOVJIRU-TWGKFFBLSA-N	320.197	3.540	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1c(Cl)cccc1N1CCCC1	763340493	WWLGNVMWGVAMJZ-UHFFFAOYSA-N	323.824	3.799	50	20	DHGD	
O=C(Cc1ccccc1F)NN=CCc1ccc(F)cc1Cl	766451235	QLNAXFUDMCCMAX-UHFFFAOYSA-N	322.742	3.505	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccc(Br)c2)CC[C@H]1C	767380453	RBPHUSUUVSIPKI-MNOVXSKESA-N	323.234	3.991	50	20	DHGD	
CSc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)cn1	767951943	ZEIVOPOGTRCIAI-SNVBAGLBSA-N	317.252	3.552	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2CCC(C)(C)C2)cc1	769153760	LZFCNJFDYNDZAZ-QZFKAFNDSA-N	312.413	3.687	50	20	DHGD	
C#CCOc1ccc(NC(=O)NNc2ccccc2Cl)cc1	770026097	VUELZSAVBQIRRG-UHFFFAOYSA-N	315.760	3.501	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc([C@@H]2C[C@@H]2C)o1	771301969	MEZFXRFRRAVBAA-WCQYABFASA-N	317.364	3.677	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc3ccccc3n2)c(F)c1	775430064	CJISCAROFWJONO-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1ccc2ccccc2n1	777461606	NBYCJGMQIBLQAQ-UHFFFAOYSA-N	323.421	3.643	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1ccccc1F	777872471	VHJTYBCCCKYRFJ-XFFZJAGNSA-N	314.247	3.663	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@H](C)Cc1ccc(Cl)cc1	791224068	OHSSTYNZNXJVOP-GFCCVEGCSA-N	317.820	3.755	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2c(Cl)oc3ccccc23)n1	794571610	FIPLIJYRBOLNGE-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	794952976	JOQGEITZFFNJGX-SJWLEHQBSA-N	303.789	3.860	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNC(=S)Nc1cccc(C)c1	798124369	QVFXWFIEGHPNCZ-HIFRSBDPSA-N	319.474	3.529	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C(C)(C)C1CCCCC1	798312508	CKSOLKRHYFUFMQ-UHFFFAOYSA-N	317.433	3.754	50	20	DHGD	
C/C(C=NNC(=O)c1ccc[nH]1)=C\c1ccccc1C(F)(F)F	799873131	AHSZVSKORHLNSH-LQUZZEHVSA-N	321.302	3.853	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cn(C)cn3)n2)cc1	800793662	UBHBRLJVMDJHIR-AUWJEWJLSA-N	306.394	3.916	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC([C@@H]2CCCO2)CC1	808750043	IQVKYUOCPUSTKG-INIZCTEOSA-N	313.558	3.899	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2)nn1C1CCCCC1	810300994	MALYRQUKMXWCDK-UHFFFAOYSA-N	313.405	3.845	50	20	DHGD	
Cc1nn(C)cc1[C@H](C)NCc1ccc(OCCCCl)cc1	811479008	VBBZOCDVAMWUEC-ZDUSSCGKSA-N	321.852	3.587	50	20	DHGD	
FC1(F)CC[C@H](NCc2ccc(OCCCCl)cc2)C1	811484122	PWKOEBSABVBOJF-ZDUSSCGKSA-N	303.780	3.972	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1(C(F)F)CCCC1	813523844	GDTHKSHSBGYTFO-UHFFFAOYSA-N	324.158	3.657	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)Cc1ccc(Cl)cc1	814757050	KXMBQFSLRQRSBG-AWEZNQCLSA-N	317.820	3.705	50	20	DHGD	
CC(F)(F)c1ccccc1NS(=O)(=O)CCCCCl	830112738	IASLMELFLFDGOH-UHFFFAOYSA-N	311.781	3.559	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)c1	839499250	VVEAAOPRJXJJAJ-INIZCTEOSA-N	310.397	3.783	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCC(F)(F)CC2)c1C	842520909	USNSLJCVXKWMDT-CYBMUJFWSA-N	324.371	3.752	50	20	DHGD	
Cc1nn(C)cc1CN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	844349299	LBQZSWRCTBMDQS-INIZCTEOSA-N	323.557	3.715	50	20	DHGD	
CCOCCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846380548	ZZBQJGJYLMAKKQ-UHFFFAOYSA-N	324.730	3.619	50	20	DHGD	
N#CSCCCNC(=O)c1cccc(SC(F)(F)F)c1	854363976	VLWRBKWBWLQAPX-UHFFFAOYSA-N	320.361	3.633	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cccc(SC(F)(F)F)c1	854450138	BEXZQLWQODKFTD-UHFFFAOYSA-N	318.147	3.832	50	20	DHGD	
C[C@@H]1C[C@H](c2cccnc2)N(C[C@@H](CBr)C2CC2)C1	859252924	PVPJXBNPWJQPGI-DAXOMENPSA-N	323.278	3.886	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2ncc(C(C)(C)C)s2)c1	863157215	VYHYFWLGDIJNPO-UHFFFAOYSA-N	307.444	3.574	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1F)c1ccnn1C1CCCC1	871271350	MQUOXXYAACBYSB-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=Cc1ccc(C(C)C)cc1	915929849	LBKLWLUKOHVWHQ-UHFFFAOYSA-N	320.396	3.530	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)OCC)cc1OCCC	916267798	GRGLGPBQYSRWCM-UHFFFAOYSA-N	322.405	3.734	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccccc1	916336690	MNADWJPZIMYAOF-INIZCTEOSA-N	310.397	3.611	50	20	DHGD	
CC1CCN(C[C@@H](C)C(=O)NN=C2CCCCCCC2)CC1	916363920	XDJMJHVHHMBNRK-MRXNPFEDSA-N	307.482	3.571	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(C)c1cc2ccccc2o1	920374436	AHBOBUJWWWJDIN-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
CCS(=O)(CC)=NC(=O)CCCC[C@@H]1CCSS1	925898091	WZDORZKPNVERAP-LLVKDONJSA-N	309.522	3.735	50	20	DHGD	
C[C@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(CCl)c1	1120710703	QGOQCGDVLBWDFW-RISCZKNCSA-N	323.845	3.729	50	20	DHGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@H](c2ccccc2)O1	1123511416	CFVFSNXZBGVCEN-LHUBUQBQSA-N	321.848	3.773	50	20	DHGD	
O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@H]21)C1CCC(Cl)CC1	1123670079	ZSMBKYGTVAJXAV-QDYZITAZSA-N	303.833	3.629	50	20	DHGD	
Cc1cn(CC(=O)NNc2ccccc2Cl)c2ccccc12	1319596826	HGYVBVSMOOYJFH-UHFFFAOYSA-N	313.788	3.746	50	20	DHGD	
CC(C)(C)CN(CCC#N)C[C@@H](CBr)C1CC1	1334970605	AJIFWQNRAKVITO-CYBMUJFWSA-N	301.272	3.669	50	20	DHGD	
O=C1CC[C@@H]2CN(C(=O)C3CCC(Cl)CC3)c3cccc1c32	1347162479	MSMOXAWJSPEGBY-OTTFEQOBSA-N	317.816	3.891	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1	16409366	FDQWCOYWKNGNMC-NTEUORMPSA-N	314.747	3.702	50	20	DHGD	
CC(C)CN(C(C)C)S(=O)(=O)c1ccc(CCCl)cc1	37842630	ADUADOOKUPGIOX-UHFFFAOYSA-N	317.882	3.523	50	20	DHGD	
Cc1nnc([C@@H](C)OC(=O)CCCC[C@@H]2CCSS2)o1	68507326	UHDQCJVHFHZHLE-MWLCHTKSSA-N	316.448	3.696	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1cc(Cl)ccc1F	106924203	GQOAZGVMMINHTQ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)C1(c2ccccc2)CCC1	112404350	FAHGKNWWGSACQJ-UHFFFAOYSA-N	300.789	3.905	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)NNc2c(F)cccc2F)c1	119612239	KHTWKYUHAYXLCT-UHFFFAOYSA-N	319.311	3.706	50	20	DHGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)CC(C)(C)C)c1C	125410241	ATOKXDCJBJVGRE-YBEGLDIGSA-N	302.418	3.664	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2cc(C)cc(C)c2)cc1	126632047	VVKNYQSOIAXHGT-UHFFFAOYSA-N	310.397	3.718	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1CCCCC1	128603293	NPMLFPQFOPWDQM-UHFFFAOYSA-N	304.287	3.868	50	20	DHGD	
C[C@H](C(=O)NNc1ccncc1Cl)c1ccc(Cl)s1	154893430	WWAZTPKSXDEDLE-ZETCQYMHSA-N	316.213	3.697	50	20	DHGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNc1ccc(C#N)cc1	155491527	HEHAWYLOFJYJEC-CQSZACIVSA-N	323.396	3.594	50	20	DHGD	
I[C@H]1CCCC[C@@H]1OCc1ccccc1	158130485	QVNKXHYZMIFDCQ-STQMWFEESA-N	316.182	3.949	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NNC(=O)CC1CCCC1	184119291	KEJBQEYMUWRORQ-UHFFFAOYSA-N	320.458	3.528	50	20	DHGD	
CC[C@@H](C)Oc1ccc(NS(=O)(=O)CCCCCl)cc1	190748509	MFWUTWXQWMZCLU-GFCCVEGCSA-N	319.854	3.625	50	20	DHGD	
CSc1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)cc1	205582247	IMZLBPNAHAYFLH-CMPLNLGQSA-N	300.221	3.521	50	20	DHGD	
O=C(/C=C\c1ccccc1)NNc1ccccc1OC(F)(F)F	492717916	JHEDQBAQPZBWSY-KHPPLWFESA-N	322.286	3.742	50	20	DHGD	
CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	726974253	UQJZFUAAWCOPOP-CHWSQXEVSA-N	317.882	3.571	50	20	DHGD	
COc1ccccc1C=NNC(=O)c1c(Cl)cccc1Cl	727781855	YSXZVWUFEMOGGS-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC2CC2)c(C)n1CC(C)C	742777982	UVMBNRMCKWIYGX-VCHYOVAHSA-N	313.445	3.584	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1OC1CCCC1)C1CC1	743423795	WQZBZMINRYAVBA-UHFFFAOYSA-N	306.793	3.522	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@@H]2C(C)C)cc1OC	747742070	RNJXSNMBNIOMGV-CQSZACIVSA-N	318.417	3.636	50	20	DHGD	
CCc1ncc(C(=O)NNc2ccc(Cl)cc2Cl)s1	748009270	HJPCQPFNTDQPQP-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CC1	748730351	LTLPZEKGKTVBED-UHFFFAOYSA-N	323.780	3.828	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccccc3C)co2)cc1	755587281	RDCTZUCPFBOADZ-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
COC(C)(C)CN(C)C(=O)CCCC[C@@H]1CCSS1	758868463	YQJASLWJZDRUAR-GFCCVEGCSA-N	305.509	3.584	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761485850	JMZBKLDMDAYQIM-TWGQIWQCSA-N	322.188	3.822	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1Cc2ccccc21	763611986	CNXKVWZJHGXROO-LLVKDONJSA-N	307.180	3.776	50	20	DHGD	
Cc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1O	764328388	AZBYKCCKSDGHMP-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)NNc1cc(F)c(F)cc1F	767201953	PCNCCCIPZZUTDI-UHFFFAOYSA-N	323.318	3.547	50	20	DHGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C2	776625486	PPMLPRDNZCZRLQ-GCLKIYGDSA-N	324.424	3.630	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccnc(C2CC2)c1	783358136	LOJUKUJRMNLKDI-UHFFFAOYSA-N	312.325	3.703	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CO1	784006778	AMWNAFXFRRNVNN-BQBZGAKWSA-N	323.607	3.515	50	20	DHGD	
CCN(CCCN(C)C)C(=O)CCCC[C@@H]1CCSS1	787531823	JTZBRSHKLQTTAO-CQSZACIVSA-N	318.552	3.501	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1nc2ccc(OC)cc2s1	788688092	IXGKYMNQLLLSJF-PAKSIRSJSA-N	300.383	3.827	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ncc(Cl)cc1Cl	795271634	DYBDXRDFVMYFSR-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(C(F)(F)F)s2)c1	806399499	PXPVNUQZHAFRKM-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(C2CCCC2)cc1	810793186	FTJNYCJHPKQLAM-UHFFFAOYSA-N	320.396	3.977	50	20	DHGD	
CN(C)[C@@H]1CCC[C@H](NCc2ccc(OCCCCl)cc2)C1	811482998	ZSUCFGXKXDYYKG-DLBZAZTESA-N	324.896	3.657	50	20	DHGD	
Cc1cc(NC(=O)NNc2c(C)cccc2C(C)C)nnc1C	812941021	DYBBHOFBCFKXOA-UHFFFAOYSA-N	313.405	3.674	50	20	DHGD	
CSSCCNC(=O)NC[C@H]1CCCCC(F)(F)C1	813748758	RRAWSTNWTOMNCN-JTQLQIEISA-N	312.451	3.512	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1cc(Cl)ccc1F	814503541	HAOUCLLYTXSUCA-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
C[C@H](C=NNC(=O)Nc1cc(F)cc(F)c1)c1ccccc1	815005471	KRTZJSVCUQGTES-LLVKDONJSA-N	303.312	3.876	50	20	DHGD	
CC1(C)CCC[C@@H]1CNC(=O)/C(C#N)=C\c1ccc(F)cc1	819174138	IQIXMLKQUJJQGU-BAAYTWLHSA-N	300.377	3.675	50	20	DHGD	
CC(C)CCSCC(=O)NNc1cc(Cl)nc(Cl)c1	819743513	QDOUWCGHSQUGBJ-UHFFFAOYSA-N	322.261	3.611	50	20	DHGD	
C[C@H](CN(C)/C(=C\C#N)c1ccc(F)cc1)C(=O)OC(C)(C)C	839200631	XYVCFJVEXVTVJF-YDRQLGOLSA-N	318.392	3.600	50	20	DHGD	
N#C/C(=C/c1nccn1CC(F)(F)F)c1nc(C2CC2)cs1	843273675	SGOMUIIHGWLHSU-YHYXMXQVSA-N	324.331	3.843	50	20	DHGD	
C[C@]1(CNC(=O)c2cccc3ccsc23)C[C@H]1Br	857395775	SZYONUDIPQSAOA-BXUZGUMPSA-N	324.243	3.805	50	20	DHGD	
Cc1ccc(O)cc1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	862963752	XCPIFPMJTQLWFF-VZJVUDMVSA-N	324.218	3.593	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2cccc(Cl)c2)c1C	914468766	KQXCBRVMSGZIHA-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc(OCC(C)C)cc1	916249055	ODSAAESGVXZTMJ-UHFFFAOYSA-N	310.397	3.875	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccc(O)cc2)oc2ccccc12	916265299	GKMHSGUWSCODTJ-UHFFFAOYSA-N	322.364	3.855	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1	916340794	NNRYDLWMOYKNTQ-AWEZNQCLSA-N	305.381	3.616	50	20	DHGD	
N#C/C(=C\c1cc(F)cc(F)c1)c1nc(N)c2ccccc2n1	1320193973	RWNCMQJZNCSSGC-VZUCSPMQSA-N	308.291	3.554	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1321073218	MNIPDNIYYXYRAR-YVLHZVERSA-N	307.397	3.999	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2cc3cc(C)c(C)cc3o2)cc1	1331096283	QQYMPOVHIJBYGE-UHFFFAOYSA-N	322.364	3.822	50	20	DHGD	
CC(C)c1ncc(CN(C)C(=O)c2cccc(CCl)c2)cn1	1347068606	JGRHEBRGOCGVFZ-UHFFFAOYSA-N	317.820	3.611	50	20	DHGD	
O=C(CCl)NCCc1ccc(Oc2ccccc2)c(F)c1	1887532107	XHFWOUDSTRKNIN-UHFFFAOYSA-N	307.752	3.516	50	20	DHGD	
N#C/C(=C/c1cccc(OCc2ccccc2Cl)c1)C(=O)O	11802595	PPBHZCTUTINROV-ZSOIEALJSA-N	313.740	3.911	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1sccc1OC(F)F	104234784	HJPXWSXYKAUEDZ-UHFFFAOYSA-N	318.732	3.760	50	20	DHGD	
CSCC[C@H](C)NC(=O)CCCC[C@H]1CCSS1	120512435	LGTSMKYTTSTMCC-RYUDHWBXSA-N	307.550	3.958	50	20	DHGD	
CC[C@H](NNC(=O)CCCc1ccccc1)c1ccc(F)cc1	160877280	LNMNIUTVSAHYMU-SFHVURJKSA-N	314.404	3.921	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2ccc(C(F)(F)F)cc2)cc1	163121082	VZMBQZZUMLVDAN-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)C1=CCCCO1	174367556	OGSIBEAZYSVRLM-UHFFFAOYSA-N	321.591	3.784	50	20	DHGD	
O=C(Cc1ccsc1)NNc1ccc(Cl)cc1Cl	178884302	IUQHVXBHOHZHTG-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2ncsc2c1	179011490	NCUMREOLRCWVCL-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cccc(F)c2)cc1	188607601	KMTIKGCRMXAQJQ-ATTDUZETSA-N	324.355	3.619	50	20	DHGD	
C[C@H](O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191931021	QOHJEPWMIUBRPH-ZETCQYMHSA-N	320.283	3.846	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	192576271	FDQWNOKPMFYMKW-WEVVVXLNSA-N	301.314	3.594	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1cccc(F)c1	194531450	RAHMPPXVRDHGPO-CXUHLZMHSA-N	317.323	3.801	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)c(C)c1	209781481	QJMZABYSRAIJHW-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
C[C@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(CCl)c1	313957210	BBPFCLBKFRFIPX-XJKSGUPXSA-N	309.837	3.581	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C\c1cccc(F)c1	588392013	DDKVGPGSYGMSEJ-KTKRTIGZSA-N	321.355	3.839	50	20	DHGD	
Cc1cc(OC(=O)C2(c3ccccc3C)CC2)ccc1[N+](=O)[O-]	726911205	ICJGAVOVUNPCCO-UHFFFAOYSA-N	311.337	3.849	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(F)cc1	728433339	CXKUHTQCWPMWHV-UHFFFAOYSA-N	322.286	3.581	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)c3cccc([N+](=O)[O-])c3)C2)cc1	729818638	ZGRAENGXTIHVRF-UHFFFAOYSA-N	323.352	3.567	50	20	DHGD	
CCCCCCOc1cccc(C=NNC(=O)C2CCC2)c1	731932984	TXMGNASKWQBFNK-UHFFFAOYSA-N	302.418	3.896	50	20	DHGD	
Cc1cccc(COc2c(C)cc(/C=C(\C#N)C(N)=O)cc2C)c1	734483223	NBGMVBFWIMMVQY-VCHYOVAHSA-N	320.392	3.583	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(O)cc1	741766365	KPDBSQGJVMSZIW-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)ccc2O)c(C)c1	743761794	BFQCPTUIIFMXOZ-UHFFFAOYSA-N	304.777	3.728	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H](C)C1	747743771	GIUINEYJQVVNTR-BETUJISGSA-N	310.401	3.619	50	20	DHGD	
O=C(NNc1cccc(F)c1)Nc1ccccc1C(F)(F)F	747830972	ITGMNAJDCUKNCD-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)C(F)=C1CCCC1	747995465	OXWAPHNJYVDLOF-UHFFFAOYSA-N	302.271	3.946	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)COc1cccc2ccccc12	748563761	ZOWKQBRWLQDZOR-UHFFFAOYSA-N	324.355	3.809	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(F)cc(Cl)c2)cc1Cl	753298705	WOPPAWKBNDIWQC-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C(=O)c2ccc(Cl)s2)c(C)c1	760462798	ITRMPAPPPJHJMO-UHFFFAOYSA-N	322.817	3.653	50	20	DHGD	
CN(CC1CCCCC1)C(=O)[C@H](Br)C(C)(C)C	767032074	PYVPHUJHBHSDCN-LBPRGKRZSA-N	304.272	3.835	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1C[C@@H]1Cc1ccccc1	768178581	DPPJDQQWSLTYHP-MELADBBJSA-N	324.262	3.543	50	20	DHGD	
C[C@H](CBr)CN(Cc1ccc(F)cc1F)C1CC1	770647400	FXDPJTPOFGNZRR-SNVBAGLBSA-N	318.205	3.960	50	20	DHGD	
CCc1c(C(=O)NNc2ccccc2)cnn1-c1ccccc1C	771422866	KAVWAOMZWRGBDB-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1c(Cl)cccc1Cl	773447123	GILQQXJUZVEPGG-QMMMGPOBSA-N	307.246	3.968	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]2CCC[C@@H]21	781093235	GLVUGTHYFWBGDM-SDDRHHMPSA-N	302.256	3.587	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1OC	781100539	NFVAFDGVWXSDNH-LDADJPATSA-N	319.360	3.998	50	20	DHGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)co1	781892928	BGNXYVBBRCHJOP-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
Cc1ccc2c(c1)N(C(=O)/C(C#N)=C/c1ccc(O)cc1)CCC2	787347701	XDCZATPWIFPZRZ-SFQUDFHCSA-N	318.376	3.587	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	790829699	MMBVOQBTBKOJOV-LSDHHAIUSA-N	324.515	3.708	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)C1	796555026	AEUONRCGUSIWSE-KGLIPLIRSA-N	321.373	3.712	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccccc2)[nH]n1	799757477	ARCLOYWXTLUOMF-UHFFFAOYSA-N	320.396	3.704	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(Cl)c2ncccc12	801176582	KWCLCGTXKDYYMV-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C[C@]1(NCc2ccc(OCCCCl)cc2)CCO[C@@H]1C1CC1	811489250	BLGAYBYEPRAGOP-MSOLQXFVSA-N	323.864	3.742	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CC(=O)c2ccccc21	812765955	APIGJVXTGPQBBL-QGZVFWFLSA-N	322.408	3.932	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1c(Cl)cncc1Cl	814269169	RYEVMZYSHNKGNC-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCSc1cccc(CNC(=O)NN(C)c2ccccc2)c1	814405740	RFCGUDFNEVJJBW-UHFFFAOYSA-N	315.442	3.649	50	20	DHGD	
CC(C)CCC=NNC(=O)c1ccc(F)cc1Br	814811893	YDFNYHMNKOXJNZ-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(Cl)cc1F)c1cccnc1	814862695	QCICBNKVSZHDLL-UHFFFAOYSA-N	319.767	3.808	50	20	DHGD	
CCCC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccccn1	815006037	HAAXHFREDLAUOW-UHFFFAOYSA-N	318.327	3.686	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1nc2ccccc2n1C	816577610	SJBCIXGRPSYYJE-CYBMUJFWSA-N	302.422	3.623	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2cccc(Cl)c2o1	817006933	GSNQSOGXASJCGD-UHFFFAOYSA-N	322.151	3.892	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(CC)C2CCCC2)cc1OC	834928927	DLCHOPPAJNMHOB-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C2CCC2)C2CC2)cc1	837243466	GZZJKSZUFWYRJS-XYSGSMRZSA-N	324.424	3.687	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCSc2ccccc21	848081954	RTDRIKAGIWZWJT-SNVBAGLBSA-N	304.242	3.528	50	20	DHGD	
C[C@@H](C(=O)NCCCSC#N)c1c(Cl)cccc1Cl	854362743	ZBWRXJIKCCXYKI-SECBINFHSA-N	317.241	3.817	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618824	SAGPTGQVBWQJSG-YGRLFVJLSA-N	314.788	3.518	50	20	DHGD	
C[C@]1(CNc2nc(C(F)(F)F)cs2)C[C@@H]1Br	856787477	NWZBNRUSCNZZTP-YLWLKBPMSA-N	315.158	3.747	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1cccc(F)c1Cl	862508687	WYOSEJJQZYTISO-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
N#C/C(=C\c1c(Cl)cncc1Cl)C(=O)NC1CCCCC1	865214562	UEEFRTWXHMRYDI-UXBLZVDNSA-N	324.211	3.744	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](c1ccncc1)C1CC1	899005973	LDQFNCQXGDVVBO-GOSISDBHSA-N	324.428	3.730	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCn2cnc3ccccc32)c1	916977999	AAEDFNGXDZCIOQ-UHFFFAOYSA-N	322.412	3.577	50	20	DHGD	
COc1ccc(C2(NC(=O)C3CCC(Cl)CC3)CC2)cc1	1123652155	DDCUKVOOAQAXJV-UHFFFAOYSA-N	307.821	3.598	50	20	DHGD	
CC[C@](C)(NC(=O)c1cccc(CCl)c1)c1nccs1	1335784944	GKGSAJIVDRAPHI-HNNXBMFYSA-N	308.834	3.937	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNc1cccc(F)c1C(=O)O	1595699172	XITSNNFSSMUYQR-GFCCVEGCSA-N	324.396	3.964	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2ccccc2[nH]1	45480791	NJMNUUPSSJBPNV-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC2)c(C)n1C1CCCCC1	73521629	DGDVHBFOQHCROZ-ATVHPVEESA-N	311.429	3.749	50	20	DHGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccc(Cl)cc1	85653783	CGUNGYUPHZOJPB-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1csc2ccccc12	85685375	WNJOOISKONGONX-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1ccc(C(F)(F)F)nn1	124498472	ODJNKJUXLPXIQW-UHFFFAOYSA-N	318.343	3.545	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	126660323	VVFDAUMICJDQGD-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1ccccc1Cl	158543815	QYNFPITZSATQBM-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
CCCC[C@H](CCC)NC(=O)c1c(C)nn(CCCl)c1C	177652138	SZJPQHHUUNUEHD-AWEZNQCLSA-N	313.873	3.827	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc2ccccc2n1	178509868	DFALARXZYUWDBI-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccncc1)c1ccc(C(F)(F)F)cc1	180465515	JJIFBEOPPBCQFC-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(C(F)(F)F)c1)C(=O)NC1CC1	186963538	OBDLMBACSUWHHQ-YCRREMRBSA-N	314.694	3.544	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1F	254944302	WLFWFZOWZBCIOB-YHYXMXQVSA-N	320.245	3.789	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@@H](c2cccc(F)c2)C1	255529942	WRQLILOFPQDDIU-PMEBHBLGSA-N	308.356	3.764	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1ccccc1C(F)(F)F)OCC	270048555	QPLOPBLOONRAAI-ZDUSSCGKSA-N	316.323	3.520	50	20	DHGD	
N#CC1=CCN(C(=O)CCSc2ccccc2Cl)CC1	270974450	UIUUGUOPQWDIJN-UHFFFAOYSA-N	306.818	3.504	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc3ccccc3n2)n1	271998196	UHKMAFAQKIWNLF-UHFFFAOYSA-N	323.400	3.549	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(c3cccc(C)c3)CC2)cc1	294410171	RDILMEIMAOCXAE-UHFFFAOYSA-N	310.397	3.569	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1coc(-c2ccccc2)n1	490726250	OYBJOZHVJJBSOU-PTNGSMBKSA-N	309.369	3.555	50	20	DHGD	
N#C/C(=C\c1cnn(CCCl)c1)c1ccc2ccccc2n1	728698160	FJOCITVRRLTSPU-OQLLNIDSSA-N	308.772	3.734	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C)c2)c1	729150918	PUUBAEZBPDQUMT-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCC(=NNC(=O)COc1cc(C)ccc1C(C)C)C1CC1	741159900	FWVHSAJVAOYJIX-UHFFFAOYSA-N	302.418	3.789	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1Cl)NC1CCCC1	743532038	LNYDYKDOQCXDKE-UHFFFAOYSA-N	300.189	3.569	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3ccc(Cl)nc3)[nH]c2c1	743818685	IVBSBTDDBHOKDV-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)o1	744035742	QMQIWXOVYMFCJM-GFCCVEGCSA-N	303.314	3.822	50	20	DHGD	
CCc1nc(C(=O)NN(Cc2ccccc2)c2ccccc2)co1	753608699	CTQNRBKXPAZKKI-UHFFFAOYSA-N	321.380	3.589	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccncc2)cc1	757680927	XKIKQVOSRIEURQ-RFRKOGIWSA-N	322.364	3.692	50	20	DHGD	
COc1ccsc1C=NNC(=O)c1ccc2ccccc2c1	764681986	LQRQOIMIJCHXJN-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@@H](C)c1ccccc1F	770358182	DHFFLBFHWGAMRL-WDEREUQCSA-N	317.198	3.894	50	20	DHGD	
N#C/C(=C\c1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1	776264756	ZXGUINHNHASVTD-FMIVXFBMSA-N	311.366	3.994	50	20	DHGD	
Cc1ccccc1OCCCOC(=O)/C(C#N)=C/c1ccccc1	785363591	DFNSVMRWCUZAOD-NBVRZTHBSA-N	321.376	3.914	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(C2CC2)cc1	787495185	ULRDCGJSPDSKQK-WJDWOHSUSA-N	304.349	3.815	50	20	DHGD	
COc1cc(NNC(=O)Nc2cc(F)ccc2C)ccc1Cl	788551412	ZZFNBZZFTAMIPX-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1c(O)cccc1F	791719478	HSCPOZQHGXXJMU-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
COc1cc(Cl)c(C)cc1NC(=O)NNc1ncccc1C	792202104	FEUOIBWSSUKARR-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
O=C(NN=C1CCC(c2ccccc2)CC1)c1ccc(O)c(O)c1	794556528	ASDALRVCAAYXEU-UHFFFAOYSA-N	324.380	3.541	50	20	DHGD	
CCCN(N=Cc1ccc(OC)c(C)c1)C(=O)OC(C)(C)C	794997659	ZURGKYPGHHHDQK-UHFFFAOYSA-N	306.406	3.985	50	20	DHGD	
C=C(CBr)COC(=O)C[C@H]1CCc2ccccc21	795516117	YSQMSJSYMNLGSM-CYBMUJFWSA-N	309.203	3.601	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccoc2)c1OC(F)F	798229543	FCNFBMNIRNEIKG-KPKJPENVSA-N	319.263	3.679	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)c1cnc2ccccc2n1	798370678	ULIAGIGUHRFFMQ-RIYZIHGNSA-N	303.369	3.780	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1ccc(F)cc1C	798983237	ZPTHMQWODGOHMW-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1cccc(F)c1	807119237	ZKPUPPPYFVGKIM-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1c(C)nc2ccccn12	807947225	LZEDVVAVALQQHT-GFCCVEGCSA-N	300.406	3.575	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(O)ccc1Cl	810466936	YZBUFULQICLEPX-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(C2CCCC2)cc1	812240778	ROPXXQPSMSHHDM-XWAFYUISSA-N	313.397	3.829	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(C)nc1C	814841426	BVGHFVDOEFBPSE-UHFFFAOYSA-N	309.413	3.516	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCSc1nccn2ccnc12	821083966	FJYGXYUPILZQRO-UHFFFAOYSA-N	309.511	3.843	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](CC)CC(F)(F)F	831243777	WLRHJLLVTHYMQR-LBPRGKRZSA-N	302.340	3.979	50	20	DHGD	
CCCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCC1	834913838	GSPYYNQCJXHNTL-UHFFFAOYSA-N	303.362	3.671	50	20	DHGD	
O=C(NNc1cc(F)ccc1Br)C1CCCCC1	839882141	WHRMXFWDUZVUOG-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@H](C)CC(F)(F)F	840438914	CHASXKKYSZFAAC-QMMMGPOBSA-N	323.746	3.863	50	20	DHGD	
N#C/C(=C/c1cnn(CC(F)F)c1)c1nc(C2CC2)cs1	843266552	XIKPQIGFNLYVHI-JYOAFUTRSA-N	306.341	3.546	50	20	DHGD	
C/C(=C/c1ccco1)C(=O)OC[C@H](CBr)C1CC1	859736355	YQRKNAHZNRHJFI-UMAGTOLTSA-N	313.191	3.647	50	20	DHGD	
CCCn1cc(/C=C(/C#N)n2c(C(C)C)nc3ccccc32)nn1	865226459	UVKUTMJNPYSEGJ-GDNBJRDFSA-N	320.400	3.683	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NCC(Cl)Cl)c1C1CC1	879061760	SMYGKBUTMJKXCJ-QMMMGPOBSA-N	319.236	3.657	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cccc3c2CCCC3)cc1C	907093969	FPXIOSHWJSKBOL-UHFFFAOYSA-N	322.408	3.833	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1sccc1Br	915050083	DJKFDCHBOVAABH-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
O=C(NCCC1CC(F)(F)C1)NNc1ccc(Cl)cc1F	922813299	PWZGAKTYZCPLOM-UHFFFAOYSA-N	321.730	3.541	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccnc2N(C)C)c1C	1117351227	QBFBBSDKRAFFGL-LFIBNONCSA-N	305.381	3.554	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)C(C)(C)c2ccccc2)cs1	1338729599	ORTJGFJKWCKBPB-UHFFFAOYSA-N	315.442	3.694	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)OC1CCCCC1	1339901506	KOTJMHASXGKLAS-CQSZACIVSA-N	304.434	3.738	50	20	DHGD	
CCC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)s1	1776675998	SHNMNHCZMANVNZ-UKTHLTGXSA-N	311.362	3.999	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)s2)c1C	1777443736	QJGBMPSWDWQADO-XYOKQWHBSA-N	311.362	3.853	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cc(F)c(C(=O)O)c(F)c2)sc1C	1777489279	VBYMDYNSUGELPB-KMKOMSMNSA-N	320.320	3.801	50	20	DHGD	
COCCOC(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	54801794	ZVBVMUJPKDQDOM-NTEUORMPSA-N	313.378	3.512	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCSc2ccccc2)c1	127660317	KSQMUFPJRVBJOQ-UHFFFAOYSA-N	300.427	3.929	50	20	DHGD	
O=C(CCc1cccc(F)c1F)NNc1cccc(Cl)c1	134172581	QLQZYEAOKKWYSO-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	160158535	HDWRDMSUPBBBCM-XFFZJAGNSA-N	320.179	3.878	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(OC[C@H]2CCCO2)cc1	171019828	JPUUDYHCSUYQNH-MUMAZLPKSA-N	313.397	3.767	50	20	DHGD	
CCc1nc([C@H](C)NC(=O)NNc2ccccc2Cl)cs1	171780812	XVSNFXYZCIZXMH-VIFPVBQESA-N	324.837	3.746	50	20	DHGD	
COc1ccccc1C/C(C)=C/C(=O)NNc1cccc(C)c1	177584089	QJYZETSQIGMTMH-FYWRMAATSA-N	310.397	3.636	50	20	DHGD	
Cc1nc(-c2cccc(NC(=O)NNc3ccncc3)c2)oc1C	183075087	RJDCFMWPMOXSDM-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1sc2ccccc2c1Cl	255721450	ZKKSBVCXNNEPOR-UITAMQMPSA-N	310.769	3.722	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	588419660	FGYVFHUPIFOFFR-FMIVXFBMSA-N	310.369	3.825	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)ccc1O	588425055	YMLNASSBELBBAR-POHAHGRESA-N	319.769	3.906	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1OC)c1ccc(Cl)s1	733204303	MKJGRYRGSUFMFS-UHFFFAOYSA-N	322.817	3.954	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCCCn2cccn2)cc1	733396500	XHWCMKJPUOJJRF-NBVRZTHBSA-N	323.396	3.512	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](CC(C)C)c1ccc(Cl)cc1	741648933	RCVWWBNSCNRSEW-WSYSLRRZSA-N	320.820	3.987	50	20	DHGD	
Cc1[nH]c2c(C(=O)NNc3ccc(Cl)nc3)cccc2c1C	743818838	PDAQTFOABZZTFA-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1ccc(C)cc1	749203694	XSDREJACCOTZNB-OIISXLGYSA-N	304.434	3.812	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(N(C)C)cc1	749823613	MTKMTFUOZAIBKF-UHFFFAOYSA-N	321.380	3.653	50	20	DHGD	
CCC(=O)NN=C(C)[C@@H](C)Oc1ccc(Cl)cc1Cl	749857921	JOHJQXMXZFKYME-SECBINFHSA-N	303.189	3.663	50	20	DHGD	
O=C(NN=C[C@@H]1CCc2ccccc21)c1c[nH]c2ccccc12	755486809	BJGCLRKOMOGECU-AWEZNQCLSA-N	303.365	3.614	50	20	DHGD	
Cc1oc2ccccc2c1C=NNC(=O)c1ccc(Cl)nc1	758107667	QKYMWUQCOPEQMF-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
C=C[C@H](CC(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	759659081	ZXRYBAAGZABDSF-LLVKDONJSA-N	320.314	3.907	50	20	DHGD	
Cn1cnc2cc(/C=C(\C#N)c3nc4ccccc4n3C)ccc21	761202005	UEKPIJXMTMSRJQ-NTEUORMPSA-N	313.364	3.524	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761386950	RVVUZFRQEPEWEF-TWGQIWQCSA-N	301.148	3.566	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)oc1C	767879064	SDFIHHPVRJQGLD-GDNBJRDFSA-N	310.353	3.841	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cccc2ccsc12	768311376	MPEIVHFXUYJIGW-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
Cc1cccc(C2(C(=O)OC[C@@H](C)CBr)CC2)c1	770349650	UPMUFEIHNMLEIZ-LBPRGKRZSA-N	311.219	3.601	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	778448931	SSKQWFWYBGRGJZ-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
Cc1cc(OS(=O)(=O)CCCCCl)cc(C)c1Cl	780702689	FFJYKJCJNYRHON-UHFFFAOYSA-N	311.230	3.684	50	20	DHGD	
CN(Cc1cccc(F)c1)C(=O)[C@@H](Br)C(C)(C)C	781071733	YSRHOZXVHKTACP-GFCCVEGCSA-N	316.214	3.594	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccnc(C2CC2)c1	783590568	XRLMSBKHJMPKQX-UHFFFAOYSA-N	305.740	3.508	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	788193103	NLJVDUZWLKFTPF-SWLSCSKDSA-N	306.381	3.516	50	20	DHGD	
CSSCCNC(=O)N[C@H](CC(C)(C)C)C(F)(F)F	790813140	KDUTZAZILBJASL-MRVPVSSYSA-N	318.430	3.664	50	20	DHGD	
C=C(CBr)CN1CCO[C@H](c2ccc(CC)cc2)C1	791542580	NLKVTMCXUAUKJL-INIZCTEOSA-N	324.262	3.573	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	797316818	BDZLKCLHPNPMKW-SDNWHVSQSA-N	322.355	3.891	50	20	DHGD	
COCC[C@H]1CCCC1=NNC(=O)C12CC3CC(CC(C3)C1)C2	799867995	REABHXILXIUDGN-LZUXJJCOSA-N	318.461	3.512	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1sccc1Cl	802830880	LVWMNDAJUMZZKV-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
CCc1sc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1C	805385444	UOPYERFGHYVEEP-UHFFFAOYSA-N	319.386	3.592	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ccc(C#N)cc3)sc12	809730439	NQIJDQPYKLSDRP-UHFFFAOYSA-N	307.378	3.838	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc(C2=CCCC2)cc1	810020890	GRPZOFOFKFWZRK-UHFFFAOYSA-N	323.352	3.919	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CCCSC1	810679276	PAYUOMBRBHYLGR-MRVPVSSYSA-N	305.230	3.580	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(Cl)cc1)OC	812910811	PBKRZDDBZJLXFC-UHFFFAOYSA-N	304.615	3.655	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCOC(C)(C)C1	813118230	ITHDBIMGPZNLGS-CQSZACIVSA-N	319.449	3.702	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1CCO[C@H](C)C1	813122161	GMPQRTKTMCAMQP-HUUCEWRRSA-N	319.449	3.560	50	20	DHGD	
CC(C)c1ccc(SCC(=O)NCC(Cl)Cl)cc1	816605214	POSDHMGXCXPROO-UHFFFAOYSA-N	306.258	3.822	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cc([N+](=O)[O-])c(C2CC2)n1	821084449	RAWJCAJQQGZFNS-UHFFFAOYSA-N	311.458	3.691	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1ncccc1C(F)(F)F	825981629	WGTBLQAMCOPSOJ-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCS[C@@H]1C	828560150	JHGFLMRABKXRHX-OCCSQVGLSA-N	307.463	3.639	50	20	DHGD	
C=CCC1(C(=O)NNc2nccnc2C(C)C)CCCCC1	830610143	WLLYOMFPCMCYNS-UHFFFAOYSA-N	302.422	3.570	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cccnc2C(F)(F)F)cc1	837052672	IVOGICJHTDDHGT-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNc1cc(C#N)cc(Cl)n1	843843840	CQULVCNPEQAQQC-LBPRGKRZSA-N	320.824	3.822	50	20	DHGD	
COC(=O)/C=C\c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)o1	848640204	JCHUUUXTCYLEFD-WEJYHURQSA-N	313.353	3.522	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2ccc(C#N)cn2)C1	853896871	NITPZDAMLZTJHX-HNNXBMFYSA-N	317.509	3.944	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccncc1Cl	857082591	OXQOPLCGATULPR-XXILOJSOSA-N	303.631	3.559	50	20	DHGD	
BrC[C@@H](CN1CCC[C@@H](c2ccncc2)C1)C1CC1	859300685	DABPDPFDGOYDHQ-CVEARBPZSA-N	323.278	3.682	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1ccoc1Cl	859658061	WDCWPNQBWHUFFE-QMMMGPOBSA-N	307.571	3.511	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)N[C@H]1CCCC(F)(F)C1	875392332	HIILWBAXSUAMTQ-QMMMGPOBSA-N	321.730	3.683	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2cnc(C)s2)c(Cl)c1	876014985	SYJVUQMBDVNFMI-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1CCCc2sccc21	885113141	PTNNYOSEAPSNQR-NSHDSACASA-N	308.353	3.590	50	20	DHGD	
NNC(=O)c1sc(-c2ccccc2)cc1OCc1ccccc1	916040241	VRPVARHCRSUZBC-UHFFFAOYSA-N	324.405	3.598	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@H](C)c2ccccc2)c1	916295755	CIVCDNNSPUHDMY-INIZCTEOSA-N	310.397	3.588	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)Cc2c[nH]c3ccccc23)cc1	916337494	ABLSUYLPPDVKIQ-UHFFFAOYSA-N	319.408	3.813	50	20	DHGD	
COc1ccc(CCOC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1	916600560	NVMFUPZEKQRNMB-QGOAFFKASA-N	321.376	3.697	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)cc1	916998323	QUNQADZTUUCMKP-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
O=C(Cc1ccncc1)NN=Cc1ccc(-c2ccccc2)s1	1116198293	PFVGJRJCTVGNHT-UHFFFAOYSA-N	321.405	3.503	50	20	DHGD	
COCC[C@H](NC(=O)c1cccc(CCl)c1)c1ccc(C)o1	1120628607	GZKGXRRXVBKEKE-HNNXBMFYSA-N	321.804	3.834	50	20	DHGD	
O=C(/C=C\c1nccs1)NNc1cc(Cl)ccc1Cl	1123736033	OTCIJDNMANAHLL-ARJAWSKDSA-N	314.197	3.606	50	20	DHGD	
C[C@H](C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1	1261271862	OWGYBKMOVWKIKZ-VIFPVBQESA-N	311.769	3.518	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)c1ccc(F)c(F)c1	1320637063	NEDGWBKHCGCQAN-RKDXNWHRSA-N	321.161	3.643	50	20	DHGD	
COc1cc(C(=O)O)ccc1/C=C(\C#N)c1nc2ccccc2o1	1777269991	VBODTCZUBKODIS-MDWZMJQESA-N	320.304	3.599	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccs2)cc1Cl	13137316	NHMGRNXSCFEZRQ-JXMROGBWSA-N	318.785	3.956	50	20	DHGD	
O=C(/C=C/c1ccccc1)NNc1cccc(C(F)(F)F)c1	14907514	ZQVMVBIMDZSDFT-MDZDMXLPSA-N	306.287	3.862	50	20	DHGD	
Cc1sc2nc(CCl)[nH]c(=O)c2c1-c1ccc(F)cc1	20362721	ZPBYKPZJLWOMFW-UHFFFAOYSA-N	308.765	3.838	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1	44028475	OCIQVEWSYPGBDK-NTEUORMPSA-N	310.378	3.805	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OCCC)c(OC)c1	57405692	YPKOSXZEPVIMAY-PTNGSMBKSA-N	317.385	3.734	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cc3cc(F)ccc3s2)c1	88423435	WJXXNGPRAFPVPX-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC[C@@H](Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCS3	122063689	RPMKTWPVMWYFGO-SSDOTTSWSA-N	300.836	3.713	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1cccnc1Cl	128611076	PBLNFTFQDJUAKV-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
COc1ccsc1C(=O)NNc1c(Cl)cccc1Cl	132869462	HBNPLJISCYRYBO-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
COc1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	133208639	XLFUGMHFXVJAST-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2cccc(Br)c2)C1	152115554	ODHJAIQJMFHVQG-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)c1nc2ccccc2[nH]1	155139552	GRMJUDWZLCGSTB-PTNGSMBKSA-N	311.348	3.813	50	20	DHGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1cccc(Cl)c1	155546354	VTNJBTOQYTYAAO-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1	175516545	SRMDYHJXXSIISU-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
N#Cc1csc(C(=O)NNc2c(Cl)cccc2Cl)c1	177826896	XIAZRNKDVZQXSA-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
CCC(CC)c1nnc(NC(=O)NNc2ccccc2F)s1	179696313	QQQXJDGKZGWGSX-UHFFFAOYSA-N	323.397	3.729	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccn2)ccc1C(F)(F)F	180526593	LJAGQSSXTDUFLQ-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccncc1	180565866	SVCRRTOOQVTBLQ-ACCUITESSA-N	317.348	3.936	50	20	DHGD	
C=C(CBr)CN[C@@H](C)c1ccccc1OC(F)F	279731131	NQUZCBZXODNOCR-JTQLQIEISA-N	320.177	3.890	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1C#N	491159417	IQSWHFJOSBCNIM-BKQORJHRSA-N	315.376	3.651	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC[C@]2(C1)OCc1ccccc12	588492124	CPPFWCJADLVMTM-KJAJEWJFSA-N	302.377	3.682	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CC2)c(C)n1CCC(C)C	726981857	DDBDOHJNRKVDDW-BOPFTXTBSA-N	313.445	3.679	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	728608080	SNFHGEKZHSNTKN-UHFFFAOYSA-N	310.397	3.551	50	20	DHGD	
COc1cc(C(=O)NN=C(C)C2CCCC2)ccc1OC(C)C	733076672	RFXUQFOWGSTGFC-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
O=C(NCCc1ccc2ccccc2c1)NNc1ccccc1	734269315	DAZLJBYEDWRPSU-UHFFFAOYSA-N	305.381	3.709	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1)c1ccc(O)cc1	735608434	ALJQSQWEMNDHKB-MRXNPFEDSA-N	308.381	3.521	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)C2CCC2)c1C	737590292	OXKLRGSJCLOIHO-ATVHPVEESA-N	313.445	3.823	50	20	DHGD	
CC(C)(C)CCCNC(=O)NNc1cc(F)c(F)cc1F	740485073	BGJBXQYKKUFUFE-UHFFFAOYSA-N	303.328	3.556	50	20	DHGD	
O=C(NN=Cc1ccccc1Cl)c1cccc2cccnc12	747356798	XLFIGQNITLEZQE-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1cc(C)ccc1C	748427821	MOHUJTLVXCXCKW-KRWDZBQOSA-N	304.434	3.874	50	20	DHGD	
O=C(NC[C@H]1CCC[C@H](C(F)(F)F)C1)NNc1ccccc1	753063887	YLIQRMVIWFXMNK-RYUDHWBXSA-N	315.339	3.681	50	20	DHGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)NCCc1ccccc1	755572264	MDQQGQKEFVDNJW-QGOAFFKASA-N	304.393	3.569	50	20	DHGD	
CC(CC1CC1)=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	756824713	WKKVVWUTYOQIMK-CQSZACIVSA-N	310.397	3.899	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cnc(C2CCC2)s1	760242455	KPQPEHQMRKNQBN-UHFFFAOYSA-N	314.414	3.875	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1sccc1OC)c1ccccc1	769778930	GPYCWUOQMRYMEC-CQSZACIVSA-N	316.426	3.791	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1c(F)cccc1Cl	770197042	GJKDQEMFPFPOKC-UHFFFAOYSA-N	306.768	3.945	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cc(Cl)ccn2)o1	778447965	XHXSZEMBDMFQQL-GWCFXTLKSA-N	319.792	3.527	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1cc2ccccc2s1	780214510	QTYASGCDJFIUSW-UHFFFAOYSA-N	319.389	3.927	50	20	DHGD	
O=C(NN=Cc1ccc2cnccc2c1)c1cc2c(s1)CCC2	782152803	SHVJFWIMKXBOKF-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC(C1CCC1)C1CCC1	804731153	VGXWSORAULDSBU-LFIBNONCSA-N	312.388	3.818	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnc(C2CC2)n1	812764762	GJBFHXSEKLHFTB-UHFFFAOYSA-N	310.401	3.543	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)N1[C@H](C)CC[C@H]1C	812766462	HRYPWFWSBWUBDV-OAGGEKHMSA-N	317.477	3.823	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@@H]2CCCC[C@H]2C)c(OC)c1	834954976	DXCYFUCYVCZMQC-IUODEOHRSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(NNC(=O)C2(C(F)(F)F)CCC2)c(Cl)c1	836934650	CZSSBPRJAWOQGZ-UHFFFAOYSA-N	306.715	3.824	50	20	DHGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1c(C)cccc1Cl	838533652	NTUWBDHVRNQGIW-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(O)c1Br	840715313	AFKKGPLNCOBJJH-MXFUOJGSSA-N	308.175	3.677	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccnn2CC2CC2)cc1C	849179937	UETPNDLAEJFATN-LICLKQGHSA-N	305.381	3.700	50	20	DHGD	
Cc1nnc([C@H](C)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	852522640	MVLCOOIBVIMQNU-WCQYABFASA-N	311.502	3.535	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1)NC1CCCCC1	853265296	NIAAJJGQOBYUEK-VXGBXAGGSA-N	319.371	3.973	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NC[C@]1(C)C[C@@H]1Br	856812318	UHNBNWKSUGXPET-FZMZJTMJSA-N	311.223	3.598	50	20	DHGD	
C[C@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F	859410622	CVQSCFJAUBLLEM-MKYVSNJXSA-N	321.327	3.682	50	20	DHGD	
C[C@@H](NNC(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F	862323022	RKKUFPYVDHSLLG-ZCFIWIBFSA-N	322.739	3.740	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1C	917217077	DUAWVRSSOIIOHH-UHFFFAOYSA-N	323.736	3.523	50	20	DHGD	
CCCCCOc1ccc(C=NNC(=O)CC(F)(F)F)cc1	917550294	GGFZLZOIXXUBEA-UHFFFAOYSA-N	316.323	3.658	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1F	1116373687	NDHMQIJYCVSQGC-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)c3ccccc3Cl)c2c1	1322977017	YOINGZUFOKEOJH-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)cc1)[C@@H]1C[C@H]1C	1325298717	PLHYWOCPXMGPBA-BXKDBHETSA-N	309.207	3.601	50	20	DHGD	
c1cc(-c2nnc(CCCC[C@H]3CCSS3)o2)ccn1	1331859976	IAXFJQIEYKRHOQ-LBPRGKRZSA-N	307.444	3.998	50	20	DHGD	
CCC[C@@]1(COC)CCCN1C(=O)C1CCC(Cl)CC1	1521520004	VWBNRSWMKYCLBM-XUJLQICISA-N	301.858	3.592	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)NC1CCCC1	14178338	MDFMBFOOZUICKA-YRNVUSSQSA-N	309.196	3.959	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nn1cnc2ccccc21	28079655	QBZXDBQSXAJWEW-GFCCVEGCSA-N	321.471	3.821	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	78481822	MHAVZIGPZZTQMS-FLIBITNWSA-N	317.439	3.695	50	20	DHGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccccc2F)c1C1CC1	89866060	NYVFZBVYKUZGMT-LLVKDONJSA-N	316.380	3.628	50	20	DHGD	
Cc1ccc(C#N)cc1NC(=O)NNc1nc2ccccc2s1	92601455	LWUUEIKLEUHRIR-UHFFFAOYSA-N	323.381	3.625	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(C)c(C)s2)cc(OC)c1	125439930	NBBVSBZHNJPOSS-ACAGNQJTSA-N	300.383	3.841	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1cnc2ccccc2n1	127028215	ZRRPULWKNYTRHV-UHFFFAOYSA-N	320.396	3.684	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(F)(F)F)cn2)c(C)c1	131722214	LJPHNQZJLHVXNP-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1cccnc1Cl	152270908	WAMOCRYCCAOKEA-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2c[nH]c3c(C)cccc23)c1	158660454	BBPQTHLUUQSEJD-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCCN(c2ccccc2)CC1	175413941	QCEYGNXBFNOEBM-UDWIEESQSA-N	303.409	3.763	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C	178028511	JCNZWCFEULDPTC-GXDHUFHOSA-N	305.385	3.850	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CCCc3c(O)cccc32)c1	190820896	ILJQXEKOLVRICG-INIZCTEOSA-N	310.397	3.572	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cn1	588424692	HRFRJCIRFKAJMY-WZUFQYTHSA-N	305.790	3.969	50	20	DHGD	
CSc1ccccc1C(=O)NNc1nccc2sccc12	734246833	KMAPELNAHBUIHC-UHFFFAOYSA-N	315.423	3.775	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCC1CCCCC1	751179304	DLXLQHPUSVMVNX-UHFFFAOYSA-N	307.346	3.869	50	20	DHGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)NCCc1ccccc1	755572262	MDQQGQKEFVDNJW-AQTBWJFISA-N	304.393	3.569	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(Oc2cccc(F)c2)cc1	766491941	RHKPENVMDSUZRF-SXGWCWSVSA-N	317.341	3.527	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1coc2ccccc12	768141720	BEZIQJHEUWMTCU-ZDUSSCGKSA-N	324.218	3.859	50	20	DHGD	
C[C@@H](CBr)CN1CCc2c(Cl)cccc2C1	770655391	XVCILIPXHGWOOS-JTQLQIEISA-N	302.643	3.729	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	772823429	NHDLABLOTIPHIJ-SOUVJXGZSA-N	316.449	3.650	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C(C)(C)C)s1	772888582	HRYBBVPPRQEABG-UHFFFAOYSA-N	318.446	3.716	50	20	DHGD	
CO[C@@H]1CCC[C@H]1CNC(=O)CCCC[C@H]1CCSS1	775245932	QOTLGGCSJRPVBL-MELADBBJSA-N	317.520	3.632	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1nc2c(s1)CCCC2	776266227	PXMVVQURWCPIEZ-QBFSEMIESA-N	317.458	3.625	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3cc(F)ccc3s2)cn1	780154070	USEJGMQFSYNMTQ-IZZDOVSWSA-N	311.341	3.903	50	20	DHGD	
CCn1nccc1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	780375268	VITFUGJTXXYNQZ-XFXZXTDPSA-N	319.286	3.712	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2c(C)cccc2C)c1	786050262	LVPNYSQSXZQCDE-WOJGMQOQSA-N	304.393	3.835	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1cccc(Br)c1	786673461	HDOPXAORETZDMH-SRMXYGTFSA-N	320.186	3.913	50	20	DHGD	
C[C@@H]1CC(C)(C)CC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787409564	OCKRHNMWSNZRGU-QOCWYBFNSA-N	312.413	3.630	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccc(F)c(C)c2)ccc1Cl	788598378	UOVSNIAGLXJESA-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
COc1cc(NNC(=O)CCc2ccccc2C)ccc1Cl	790180826	OGYOTZGCKCCMPM-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(F)ccc(O)c2F)s1	794943308	XHEZAFMVNJQPQE-RMKNXTFCSA-N	305.305	3.830	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1C#N	799696466	WELXLYDKDJMSDE-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1c(F)cccc1F	801929763	UNIQFLQNTNCMNX-UONOGXRCSA-N	316.351	3.774	50	20	DHGD	
N#C/C(=C\c1cnc2ccccn12)c1cc(C(F)(F)F)ccn1	812246673	REFDPUSGQCHNEM-YRNVUSSQSA-N	314.270	3.812	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2c(C)cccc2C(C)C)s1	812765171	YHHQKKPJLVMCIS-UHFFFAOYSA-N	303.431	3.949	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	814748067	HFWPWPLOWPVAOC-CQSZACIVSA-N	322.474	3.704	50	20	DHGD	
O=C(NNc1cccc(Br)c1)[C@@H]1CC2CCC1CC2	815850492	OTZXYKAKOZGXSQ-QIMFLAQGSA-N	323.234	3.719	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1C[C@@H]1c1cccc(Cl)c1	817007071	LQLHNMZPEHBJTN-VXGBXAGGSA-N	322.195	3.635	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1ccnnc1)=C\c1ccccc1	817342993	WKEGSYYBSXNKAF-CETTVKAVSA-N	322.412	3.856	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2C(=O)O)s1	833450562	VJEYHVKYEINDES-UHFFFAOYSA-N	318.398	3.501	50	20	DHGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2c(C)cccc2Cl)n1	836934876	TUSYLCMBUWGMNJ-CYBMUJFWSA-N	320.824	3.556	50	20	DHGD	
CC(C)(O)C(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	837092403	AQYYRHIAGGWIAU-GFCCVEGCSA-N	319.536	3.614	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(CCc2cn[nH]c2)CC1	844345170	OQENKUONMUJZMW-UHFFFAOYSA-N	323.557	3.686	50	20	DHGD	
CC#CCCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378169	CNKTWVAUFBEJOZ-UHFFFAOYSA-N	318.726	3.996	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849244448	BLEJEWYFTYYASR-PPBDENSKSA-N	313.397	3.767	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1ccc(C)c(F)c1	856229319	GOEBOPGVWZVLEF-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NC[C@]2(C)C[C@@H]2Br)cc1	857401683	MHJVZHSRVIXAJF-PJODQICGSA-N	324.262	3.642	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnn(C3CCC3)c2)c(C)c1	899338730	QOCFAPQIBQCDFS-SXGWCWSVSA-N	320.396	3.771	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)C2CCCC2)cc1OC	914836402	KCQHYMZGAWXKST-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1cccc(F)c1	915922726	ZFUAPPXKGBPIBT-UHFFFAOYSA-N	321.355	3.836	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1	1320532521	BIMMGFGMVKLOEM-GZTJUZNOSA-N	305.333	3.572	50	20	DHGD	
O=C(NN=C1CCCc2ccc(O)cc21)c1ccccc1Cl	1325012085	OOCKJQXLQAZYCC-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
O=C(Nc1ncc(-c2ccccn2)s1)C1CCC(Cl)CC1	1346971866	CYYDGOROQQPJTB-UHFFFAOYSA-N	321.833	3.941	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1nc2c(ccc3ccccc32)s1	7067348	LBROLNOOTDVSDQ-ZRDIBKRKSA-N	323.377	3.832	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)O)ccc1OCc1ccccc1	11860355	TYWQAFSZIOAABD-YBEGLDIGSA-N	323.348	3.656	50	20	DHGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1	59534001	UQQYJPDUOISYER-YBEGLDIGSA-N	324.380	3.538	50	20	DHGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1c[nH]c2cc(F)ccc12	82098423	XPTYFEXVAZVSKI-AUWJEWJLSA-N	315.307	3.969	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cccc(-c2ccoc2)c1	89850378	SIYVJGCWEPVJDF-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1coc2ccccc12	113433639	ZBBVLXFNQMRMMF-UHFFFAOYSA-N	303.321	3.738	50	20	DHGD	
C[C@@H](CC(=O)NNc1ncccc1Cl)c1ccc(F)cc1	114882527	DNWZKKBCQWBIAS-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cccc(C(F)(F)F)c1	118513143	CQMHGUXGJXNBFH-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc2ccc(Cl)cc2n1	153138607	HNUWYKYEOSWZFO-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1ccncc1	153728944	TYGOJCSSQBBKEC-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CCc2ccc(C)cc2C)c1	157539799	NHLDORNNCPRNSL-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1ccc(F)cc1	182250412	BGVMAURFBMKDNX-JLHYYAGUSA-N	311.312	3.633	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)c1O	183569340	LSJZATRLQUCOCJ-ZROIWOOFSA-N	310.328	3.694	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)ccc1[N+](=O)[O-]	255019998	DIWDZINEIRSEML-IZZDOVSWSA-N	316.700	3.940	50	20	DHGD	
C=C(CBr)CN(Cc1cccc(O)c1)CC1CC1	279710838	KYFXXWSPFCQNTM-UHFFFAOYSA-N	310.235	3.555	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1	281279906	XLGSGNNCCVBATA-QRYYFKOISA-N	313.397	3.768	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	490724746	BACXDSYTJCMQTG-GVIGZQTCSA-N	312.394	3.541	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1c(C)cccc1F	588495565	FVZBTDPXUIHDMO-QBFSEMIESA-N	314.360	3.689	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(O)c([N+](=O)[O-])c3)[nH]c12	735618573	CGWIGQHNPFGCHP-KPKJPENVSA-N	320.308	3.549	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C1(C)C	736430162	PNHLKTZEHCPRFY-KRWDZBQOSA-N	310.397	3.761	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2cc(F)ccc2F)c(C)c1	743763203	ATTFUOWAKNBWRD-UHFFFAOYSA-N	318.367	3.966	50	20	DHGD	
Cc1cc(O[C@H](C)C(=O)NNc2ccccc2F)ccc1Cl	748056700	NLTQNGDGWDZEAT-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2ccccc2Cl)cc1C	748301712	IRQYYUXQGIODOK-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
O=C(NCCC(F)(F)F)NNc1cc(Cl)ccc1Cl	753010302	TVQFDFYHFIWZRJ-UHFFFAOYSA-N	316.110	3.572	50	20	DHGD	
Nc1c(Cl)cc(NC(=O)NNc2ccccc2)cc1Cl	753068133	WVOSKACBYONLBW-UHFFFAOYSA-N	311.172	3.724	50	20	DHGD	
O=C(NN=C[C@@H]1CCc2ccccc21)c1ccc2ccccc2n1	755464704	YXNUVLZCWJITHL-INIZCTEOSA-N	315.376	3.680	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)C(=O)NC1CCCCC1	758018182	RULDTFXCADSULW-UUEBSLNCSA-N	316.351	3.877	50	20	DHGD	
CCC[C@@H](C=NNC(=O)Cc1ccccc1OC)c1ccccc1	769570743	RLXWAZWZRGHIAL-SFHVURJKSA-N	324.424	3.924	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCCSc1ccccc1	771286220	AKUBWVJJOGPCEY-UHFFFAOYSA-N	319.405	3.553	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ncccc1C(F)(F)F	775372868	AGLGOZWORPVURJ-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
C[C@H]1Cc2ccccc2N(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	787325206	JJGQKJUESLRXPT-MPMPPSQCSA-N	318.376	3.525	50	20	DHGD	
COc1cc(NNC(=O)C[C@H]2C[C@H]3CC[C@H]2C3)ccc1Cl	790187725	SDKNDCKIAYBVEF-SDDRHHMPSA-N	308.809	3.618	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)Cc1cc(C)cc(C)c1	790753690	NFQMDVNMPJQKOT-ZDUSSCGKSA-N	312.504	3.545	50	20	DHGD	
Cc1cccc(NNC(=O)CCSCc2ccccc2)c1	792632429	CIOVPXOJMADONY-UHFFFAOYSA-N	300.427	3.762	50	20	DHGD	
CCCN(N=Cc1ccc(O)c(OCC)c1)C(=O)OC(C)(C)C	794998680	SXHFQIZZUBWHBO-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cncc(F)c1	799235022	RQPBJRYQNIMYKZ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1ccc2ccccc2n1	800803310	DHZYTUYUNYDQPT-CYBMUJFWSA-N	313.376	3.870	50	20	DHGD	
CCC(C)(C)C1CCC(CC(=O)NNc2ncc(F)cn2)CC1	801180798	PUVDXCPLNBIWIQ-UHFFFAOYSA-N	322.428	3.692	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)CCCCC(C)(C)C)c1	804544940	ROMNFZHSTMDCLV-UHFFFAOYSA-N	306.406	3.523	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1cccc(Cl)c1Cl	806108153	USOWSPXWXIBLOJ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1ccccc1-n1cc(/C=C(\C#N)C(=O)C2CCCCC2)nn1	806573754	RKZDZZUPVKOKOI-LFIBNONCSA-N	320.396	3.632	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1cccnc1Cl	810494015	LUKMUVIHWXPEQA-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(C(C)(C)C)c1	812766447	HFECYFKREQHJPK-UHFFFAOYSA-N	314.433	3.827	50	20	DHGD	
C[C@@H](C=NNC(=O)CCc1ccccc1O)C1CCCCC1	814840281	IHZMKKLSMZWKSY-AWEZNQCLSA-N	302.418	3.643	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2ncccc2C)cc1	830301863	BOLRUAZIJYJDPG-UHFFFAOYSA-N	313.401	3.714	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCOCC2)cc2ccccc12	834438057	FXBPSWCOZUQSTI-GZTJUZNOSA-N	321.376	3.751	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)C(C)(C)F)c1OC(C)C	834448116	WLZJHWQHOMRGPT-UKTHLTGXSA-N	305.349	3.707	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(C)o1	843270336	UVPJWGMIVQBHDA-ZMTLZGASSA-N	311.385	3.901	50	20	DHGD	
Cc1ocnc1C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891545804	NJIIRKKYSPIYNW-CYBMUJFWSA-N	324.497	3.609	50	20	DHGD	
CN(NC(=O)c1csc(Cc2ccccc2)n1)c1ccccc1	915062237	LTOOMWHDWWEVIN-UHFFFAOYSA-N	323.421	3.515	50	20	DHGD	
CC(=NNC(=O)COc1ccc(Cl)cc1Cl)C(C)C	916254965	ZHRWAFRQNUFRGH-UHFFFAOYSA-N	303.189	3.520	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Cl)c1)c1ccc(OC)cc1	916278571	VEQLXTQMZZPSMW-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CCC(=NNC(=O)CC(C)C)c1cccc(Br)c1	916342507	BPGRTHJAZIHRHO-UHFFFAOYSA-N	311.223	3.726	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2csc(C(=O)O)c2)c1C	1777443701	KDNMTUGJEVMPEP-AWNIVKPZSA-N	311.362	3.853	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	33471290	HFRSBDVXDBRHAE-VKAVYKQESA-N	311.429	3.500	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1occc1-c1ccccc1	114885887	RGNXTUVRCRMIFD-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc(OC(F)F)cc1	128459847	IBIXGSLJSPLBCE-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccc(Cl)c(F)c1	130240902	ZWRUQTMUKRROLD-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC(C)COc1ccc(CC(=O)NNc2ccccc2F)cc1	152826960	LCDFVDLKUYRNTH-UHFFFAOYSA-N	316.376	3.546	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1cccc([N+](=O)[O-])c1	178868325	FAJFODRHJZCLEA-ZDUSSCGKSA-N	313.357	3.540	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCCOc1ccccc1F	184322682	AEZFRXUUBDCROX-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1nc(-c2ccccc2)cs1	206845795	YXZLDSWTKAZWEK-GXDHUFHOSA-N	311.410	3.633	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C)c(C)c1	207695859	CBNPOCSKXBAYTL-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCOc2ccc(C)cc2)cc1	212067213	LSBPPHFGAXWGTG-AQTBWJFISA-N	321.376	3.833	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	267007933	NLNAZUGHXKKCTG-GHMZBOCLSA-N	316.323	3.507	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)cn1	272662479	NIDIGPDNEZTTLA-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnn(C(C)(C)C)c1C	281833655	SHHJXTXHEIHTHY-UHFFFAOYSA-N	314.433	3.574	50	20	DHGD	
Cc1cc2cc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)ccc2[nH]1	490907074	GJKYQGIAPKAELP-OQLLNIDSSA-N	317.348	3.728	50	20	DHGD	
Cn1ccc2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc21	588429933	CUOFQSXBLSYHFH-XNTDXEJSSA-N	319.339	3.863	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)Cc1nc(C)cs1	725856521	REZOBTYTIMVVMA-LJZDZPLASA-N	305.447	3.789	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1	728718517	NIYYMWALDBPLFU-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1cccc(C(F)(F)F)c1	731321347	WOESIILAJKWGTD-UHFFFAOYSA-N	324.277	3.537	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC[C@@H](C)C2)c(Cl)c1	743825479	NIXAAFYAJQPTEZ-ZYHUDNBSSA-N	323.824	3.627	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)CCOc2ccccc2)cc1C	747058933	ABXIOZZBHHXWTE-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1cccc2cccnc12	747356595	USRMRYYHBMTSCF-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccc(C(F)(F)F)cc2)C1	747606928	XCRVICFJPDWRTQ-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc(F)cc(Cl)c1	757390140	WALVXYCLEVSWRC-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
C[C@@H](CC(=O)N1CC=C(C#N)CC1)c1ccccc1C(F)(F)F	767160489	REZOEARDLMALRA-LBPRGKRZSA-N	322.330	3.881	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2ccc(-c3ccccc3)nn2)C[C@@H](C)C1	780627074	UXMTVCMJUVJDII-KBPBESRZSA-N	324.428	3.659	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(F)cc1F	781067150	RKSKWSKAYUMCBQ-JTQLQIEISA-N	306.150	3.713	50	20	DHGD	
CN(Cc1ccccc1F)C(=O)[C@H](Br)C(C)(C)C	781080030	SJHYXWKQJTZLDS-LBPRGKRZSA-N	316.214	3.594	50	20	DHGD	
CCC1(C=NNC(=O)Cc2ccc3ccccc3c2)CCOCC1	781121660	BZJBCTVGXMCICX-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
CC[C@H](C)CC[C@@H](O)CC(=O)NNc1cccc2c1CCCC2	793711949	OXSXAAXUUCDOCK-GOEBONIOSA-N	318.461	3.586	50	20	DHGD	
CSc1cccc(F)c1C(=O)OC[C@@H](C)CBr	798752682	DKMLQFABDVCSTB-QMMMGPOBSA-N	321.211	3.735	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc(C#N)c(Cl)c1	803103208	PVZOWFFAABWLJK-UHFFFAOYSA-N	303.749	3.685	50	20	DHGD	
CCCN(NC(=O)[C@@H](C)c1ccccc1F)C(=O)OC(C)(C)C	804592039	UIRCIGYILWQNPL-LBPRGKRZSA-N	324.396	3.608	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc(-c2ccccc2)nn1	807031761	GHZUGSAPUGCAKP-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
C=CCN(Cc1ccccc1F)C(=O)NCCSSC	807225693	DXOCWYAKYBKUCG-UHFFFAOYSA-N	314.451	3.535	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OCCCCl)cc1	811687635	QCNBEHVIJLAYFR-QINSGFPZSA-N	321.804	3.945	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=CCC1CCCCC1	814723470	POFHQVPLECVWDO-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)c1	814733501	REAZWYZGCLSXHM-INIZCTEOSA-N	321.424	3.806	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3c(F)cccc3F)CCC2)cc1	817709576	VZWBFUUROHFGJF-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
C/C=C\COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	818032577	VWGQHULZXQZXBC-IVADJXMLSA-N	300.402	3.787	50	20	DHGD	
CCc1ccc2occ(C(=O)N(C)CC(Cl)Cl)c2c1	819843534	ONQDDIARRMCADY-UHFFFAOYSA-N	300.185	3.871	50	20	DHGD	
CSCC1(CCNC(=O)NNc2c(C)cc(C)cc2C)CC1	820999257	MNQLDPFJHDAWEF-UHFFFAOYSA-N	321.490	3.771	50	20	DHGD	
Cc1csc([C@@H](C)C(=O)NNc2ccc(C(C)(C)C)cc2)n1	831899677	JCWUKOOSLSQQAQ-LBPRGKRZSA-N	317.458	3.996	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)c1cc(-c2ccccc2)on1	841616248	MNIVTWVFAFJAFC-UHFFFAOYSA-N	310.357	3.531	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2nc(C(F)(F)F)cs2)CC1	844135817	XGWUHNNORIZSKN-VIFPVBQESA-N	319.352	3.742	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1cc(F)ccc1Br	846259531	QAISHMCDFLWKIV-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CN1CCC[C@@H]1CCN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852524353	JVBDFAJHSDUYTI-HZPDHXFCSA-N	312.574	3.567	50	20	DHGD	
CC(C)c1cnc(CNC[C@@]2(C)C[C@@H]2Br)s1	856808703	DFRMBVDHATYEAD-CMPLNLGQSA-N	303.269	3.530	50	20	DHGD	
BrC[C@@H](CN1CCC[C@]2(CCSC2)C1)C1CC1	859327246	LUDQSRMRTZTAFL-KBPBESRZSA-N	318.324	3.627	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	915975683	AOOSGQFUIPQGIH-SNVBAGLBSA-N	321.833	3.960	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1nc2ccccc2s1	917565921	WQALHNKFMIWHKE-UHFFFAOYSA-N	313.357	3.589	50	20	DHGD	
CCc1ccc(N=C2SC[C@@H](CC)N2C(=O)CCl)cc1	1116438712	ZFRBSKPUBGCWNR-CYBMUJFWSA-N	310.850	3.829	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)[C@@H](C)CC1CCCCC1	1320054046	QDDXWMGYAGHMTD-ZDUSSCGKSA-N	318.417	3.523	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H]1CN1CCCCC1	1336332181	WGDGBHOKLAGJTM-KRWDZBQOSA-N	320.864	3.516	50	20	DHGD	
O=C(CCNc1ccccc1)NNc1c(Cl)cccc1Cl	1340479931	HFVNTVIWHJBYEP-UHFFFAOYSA-N	324.211	3.939	50	20	DHGD	
Cc1coc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1C	1345433845	SXRBTNBJRBJJGN-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1595057785	JXQQGMPVNSUYNH-UHFFFAOYSA-N	312.797	3.698	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)s2)c1C	1777443735	QJGBMPSWDWQADO-WQLSENKSSA-N	311.362	3.853	50	20	DHGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1ccc(F)cc1	66281983	APHYWMNXHXEEAF-MDZDMXLPSA-N	313.357	3.592	50	20	DHGD	
CCOc1cc(F)ccc1NC(=O)NNc1ccccc1F	92427708	GWSFJXZOJGNATO-UHFFFAOYSA-N	307.300	3.512	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-n2cccc2)cc1	125557183	DOIKOXMDFOMBFD-UHFFFAOYSA-N	311.772	3.888	50	20	DHGD	
O=C(CCCc1ccccn1)NNc1c(Cl)cccc1Cl	133130731	GWWLDCQHHBRHCF-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
C[C@@H](CBr)CN1CCC(OC2CCCCC2)CC1	133700535	ZPTLCWDYCKREGP-ZDUSSCGKSA-N	318.299	3.831	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)Oc2ccccc2Cl)c1	150768672	RYSALLIPDDNEQI-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
C[C@H](CBr)CN1CCc2c([nH]c3ccccc23)C1	152739710	IOFUAIFAVMMSCS-LLVKDONJSA-N	307.235	3.557	50	20	DHGD	
CC[C@@H](C(=O)Oc1ccc([N+](=O)[O-])cc1OC)c1ccccc1	156238482	YAUWDCTUDOWVJU-CQSZACIVSA-N	315.325	3.703	50	20	DHGD	
CCN(c1ccc(C(=O)NNc2ccc(C)cc2)cc1)C(C)C	158906199	LQIDUDJBDUKJPR-UHFFFAOYSA-N	311.429	3.987	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H](c1ccccc1)C1CC1	158933437	WJZJURJAFRAPLN-INIZCTEOSA-N	300.789	3.977	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)CCc2ccccc2F)c1	175229967	UBSTWDIRCJQJSN-CQSZACIVSA-N	300.377	3.846	50	20	DHGD	
O=C(NNc1ccccn1)c1ccccc1Oc1ccccc1	181164635	CSJVBSDNWXMOEL-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc(OC)c1O	184837200	FCYIZRVKPOSVLD-OVCLIPMQSA-N	323.348	3.508	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1ccsc1	193346429	LOINDRIBCRKZRR-OVCLIPMQSA-N	305.362	3.724	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1ccc(Cl)cc1	193905321	ZUBXWMNNWNYTQJ-UHFFFAOYSA-N	300.789	3.515	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1ccccc1	193983841	TUDDCGYKAOFGFX-UMEYKSNOSA-N	318.376	3.663	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cc(C#N)cs1)c1ccccc1	490700430	VKDHBLAVKUXTAC-NQUDRAQSSA-N	321.405	3.794	50	20	DHGD	
CN(c1ccccc1)c1ccc(C=NNC(=O)c2ccc[nH]2)cc1	725854393	GFLZAWFGPZOIOU-UHFFFAOYSA-N	318.380	3.547	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc(-c3ccccc3)on2)ccc1F	729143625	ONHUPCVFSXEQKT-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
CC1(C)Cc2cc(/C=C(/C#N)C(=O)NC3CCCCC3)ccc2O1	729149174	GHLCMEXUIKZJOC-WJDWOHSUSA-N	324.424	3.756	50	20	DHGD	
Cc1cc(C=NNC(=O)CC(C)C)ccc1Oc1cccnc1	732711472	NPOKEOVJMUOHRL-UHFFFAOYSA-N	311.385	3.679	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc2c(c1)CCCC2	734250036	NHWAUCUSRFMDJQ-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCC2Cc3ccccc3C2)c(C)c1	735387539	ZESHQQQFOBDSBY-UHFFFAOYSA-N	323.440	3.653	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	743816999	YHRWIRKSZTYPJF-AWEZNQCLSA-N	303.793	3.762	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cccc(Cl)n2)cc1	744502858	VUNIWGVFPJHMDK-ZROIWOOFSA-N	312.756	3.694	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCCC1	748000996	ZYOWWWHQTHGPAT-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C2CC(OCc3ccccc3)C2)c1	748366188	LTOAHYCVOSZAJP-UHFFFAOYSA-N	324.424	3.742	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2ccsc2[nH]1	748896386	PUEAQDWLNPCXCT-UHFFFAOYSA-N	309.753	3.779	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cnc(C(C)C)s1	758419301	VALKAPPMTAMINH-LCYFTJDESA-N	305.447	3.870	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2nccc3sccc23)C[C@H](C)C1	780516293	MNBDUBZKVDBWKB-GHMZBOCLSA-N	303.431	3.812	50	20	DHGD	
Cc1c(F)cccc1NC(=O)[C@H](Br)C(C)(C)C	781096246	GBAANWPXOUBVSM-NSHDSACASA-N	302.187	3.882	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1ccc(OC)cn1	781536933	HWPKUVLKBQHDFC-CQSZACIVSA-N	305.422	3.530	50	20	DHGD	
CSSCCNC(=O)N[C@@H](c1ccc(F)cc1)C(C)C	790852931	JCVYZFOEEGNREI-CYBMUJFWSA-N	316.467	3.833	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)CC(C)(C)C)cc1	794909195	AUMOCJCNHLOSSD-FOWTUZBSSA-N	314.429	3.887	50	20	DHGD	
CCO[C@H](CCNC(=O)NNc1c(C)cccc1CC)C(C)C	799598297	VRIQTDZEQIYUKF-MRXNPFEDSA-N	321.465	3.635	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@H]1CCC[C@H](C)C1	799756433	BAPUYYRNARLGKP-BBRMVZONSA-N	304.434	3.596	50	20	DHGD	
CCC1(C(=O)NNc2nccnc2C2CCC2)CCCCC1	805472724	GPIWIMORTGAZAT-UHFFFAOYSA-N	302.422	3.548	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2c(C)cccc2C(C)C)cc1	812768199	JXVKCRQADPAIFI-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CSc1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)s1	814757360	XRFKMLVGSUNNPS-UHFFFAOYSA-N	324.858	3.816	50	20	DHGD	
Cc1ccc(CCNC(=O)NNc2ccc(C(C)C)cc2)o1	837553741	RZDUOYUHOUJSAL-UHFFFAOYSA-N	301.390	3.580	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1)CC(C)(C)C	842244204	ITHMWXGHUOSGKY-JTQLQIEISA-N	311.357	3.639	50	20	DHGD	
CSCC1(CC(=O)NNc2cccc3c2CCCC3)CC1	845856230	ZPTGAMLABPWZMG-UHFFFAOYSA-N	304.459	3.542	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CC[C@@H](C)c1ccccc1	846641395	DBRLDBROZXJNCO-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccnc(Cl)c3)cc2C1	855469313	AEEBQGMWYRFBOL-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CO[C@H](c1ccccc1)[C@H](C)NC[C@@]1(C)C[C@H]1Br	857083460	WURDMASPURHSFZ-PMOUVXMZSA-N	312.251	3.526	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(C(=O)O)c1)C(=O)C1CCCCC1	863187198	BGMSCTGCMMOIFV-JYRVWZFOSA-N	301.317	3.580	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1nc2ccccc2s1	872437099	BGISXGWUDASFQP-UHFFFAOYSA-N	323.368	3.837	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ccc(F)c(F)c1	885115709	LCTGJMOWZZAWGC-UHFFFAOYSA-N	308.328	3.921	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1coc2c1C(=O)CCC2	885126906	IGFKGBNQQNRBTQ-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1cc(F)ccc1F	885142752	ILRRGXKYQZMURY-GHMZBOCLSA-N	308.353	3.582	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCOC2(CCC2)C1	897811954	OEAUNFRXJJNSAS-HNNXBMFYSA-N	316.445	3.911	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCc2cccs2)c(C)c1	915905446	IYCPHIXLJHRYAP-UHFFFAOYSA-N	303.431	3.542	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)Cc2c[nH]c3ccccc23)c(C)c1	916340838	PHHKZODCDBDDAK-UHFFFAOYSA-N	319.408	3.786	50	20	DHGD	
Cc1c[nH]cc1C(=O)NN=C(c1ccccc1)c1ccccc1	916728948	DPRFFCHFIFMLTI-UHFFFAOYSA-N	303.365	3.506	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)c(O)c1	917556542	ZNXUBODXUATVML-KGLIPLIRSA-N	300.402	3.777	50	20	DHGD	
C=C(CBr)COC(=O)c1ccsc1C(F)F	924250731	MUUKHQJSXKUWFZ-UHFFFAOYSA-N	311.147	3.794	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)NNc1cccc(Cl)c1	1319698572	PVDHJOQHYXOXEV-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
C[C@@H]1CN(C(=O)c2cccc(CCl)c2)CC2(CCCC2)O1	1337281345	JAOJBGGRSUSXQN-CYBMUJFWSA-N	307.821	3.599	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccncc2)cc1	1351745320	MLMWQTJFSZERLY-DLBZAZTESA-N	309.413	3.626	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2C(=O)O)oc2c(C)cccc12	1599982022	HXXZPIZPEYCUQH-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1605254939	JJLMRLKUVWMCRL-LLVKDONJSA-N	323.345	3.805	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cc2cccc(C)c2nc1Cl	422520	FBWYJAOXZCCRDT-MDWZMJQESA-N	300.745	3.667	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1O	7164361	VDPFAXNBGLUBSY-OQLLNIDSSA-N	322.364	3.563	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	58481203	MMLMQOOOKZUGTN-BOPFTXTBSA-N	316.360	3.860	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc[nH]c1=S	73684310	SRZYLCSFKSRTJC-UHFFFAOYSA-N	313.304	3.520	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccccc1N1CCCC1	91991147	UCCJQRZXVBRKCP-UHFFFAOYSA-N	314.364	3.575	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	120291610	QUFUWCVOUQTEJL-UHFFFAOYSA-N	302.761	3.662	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccc(Cl)cc1	120404194	WWYJMFAPCKUTTR-STQMWFEESA-N	306.818	3.957	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1OC	125501076	QGPWAZHCMXAUMJ-QENILXLESA-N	317.385	3.625	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccnc2ccccc12	128742088	STCNGENTZXJEKR-UHFFFAOYSA-N	323.400	3.549	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	191771220	FEUQPLDBOUBDNP-DHZHZOJOSA-N	323.320	3.524	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c(C)c1	192554309	RITNZDOFBSFUKU-YBEGLDIGSA-N	306.365	3.863	50	20	DHGD	
C/C(=C/C(=O)NNc1c(Cl)cc(F)cc1Cl)C1CC1	255692147	ZJLDSYWAKDVLLJ-DAXSKMNVSA-N	303.164	3.932	50	20	DHGD	
CC(C)(C)c1nc(C(=O)NNc2ccccc2Cl)cs1	269574426	CZXWXHBEJOMEFK-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(OC(C)C)cc1	284703884	SUFMFKQCXCWOHX-UHFFFAOYSA-N	300.449	3.607	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	490811606	GNMYRKCAIWTNDA-XYOKQWHBSA-N	319.286	3.590	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1ccc(C)s1	588386709	YYJDLQUCDMZMJY-XFXZXTDPSA-N	313.378	3.864	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCC2)c(C)n1CCC(C)C	730555066	QPUDOTXQZIAKOO-BOPFTXTBSA-N	313.445	3.727	50	20	DHGD	
C[C@H]1CC(=NNC(=O)CC(C)(C)C)CCN1Cc1ccccc1	734298982	HUICRMWPORPWIO-HNNXBMFYSA-N	315.461	3.579	50	20	DHGD	
COc1ccnc(C(=O)NN(c2ccccc2)c2ccccc2)c1	734768543	QKVHIJSABHGWMW-UHFFFAOYSA-N	319.364	3.573	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(C(C)(C)C)cc1)C1CC1	741160119	JYEOECWWFUWBDE-UHFFFAOYSA-N	302.418	3.655	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1	747645301	BVGWNSWCSYPGLW-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc2c(F)cccc2s1	748056562	IYYNOCPLZOCZEL-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cccnc2Cl)cc1	750637332	SKMNICNQVZLXGF-DHDCSXOGSA-N	312.756	3.694	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H]1C[C@@H]1C1CC1	753175186	ZUNQZCOKSXGNHW-CHWSQXEVSA-N	323.234	3.501	50	20	DHGD	
COCCCC(C)=NNC(=O)c1cc2c(s1)CCCCCC2	759191177	BVGDXKROVHCGPE-UHFFFAOYSA-N	322.474	3.939	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C(CC)(CC)CC)c1ccccc1	760523354	VHGMEBKFTGYDFK-OAHLLOKOSA-N	304.434	3.544	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1cc(Cl)ccc1Cl)C(C)C	761571435	KAFWCYIGGZAVHF-ZDUSSCGKSA-N	319.232	3.888	50	20	DHGD	
C/C(=C/C(=O)NNC(=O)Cc1ccc2ccccc2c1)C(C)(C)C	762793758	MNZOCCYEIUJHQV-KAMYIIQDSA-N	324.424	3.522	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(Cl)cc1F	770081702	YOQHNWHVLXPICV-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(\C#N)c1cc(SC)ncn1	773149854	LDQYRJKZTPCGEP-VZUCSPMQSA-N	317.801	3.925	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cccc2cnccc12	777467932	KXAUOSCBGDBMGA-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cccc(C)c1OC(F)F	777880177	QLXKFNURLJOZGB-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2cccc3cnccc23)cc1Cl	779010701	AANNYLCSMBMZMW-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Cl	783710762	NKYWHKHIYQRESO-SRMXYGTFSA-N	305.761	3.950	50	20	DHGD	
COc1cc(NNC(=O)CCc2ccccc2F)ccc1Cl	790177414	GGLZRVHGAKPCEG-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CSSCCNC(=O)C1(c2ccccc2F)CCCC1	791151002	XZLFWLPLSNDTGR-UHFFFAOYSA-N	313.463	3.765	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCF)c1ccc(Cl)cc1F	794914731	JAEQLYIOYFNAGT-VIFPVBQESA-N	300.736	3.725	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(F)ccc(O)c1F	794936871	GFBFORWUTANCSQ-TWGQIWQCSA-N	305.305	3.830	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1/C=C(\C#N)C(=O)C1CCOCC1	794956913	BKGIQMRUUWZJSK-NTEUORMPSA-N	323.314	3.917	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C[C@@H]2CC[C@H](C)C2)cc1OC	800808388	RSHPZQZNDDZWNP-UONOGXRCSA-N	318.417	3.636	50	20	DHGD	
CC(C)N1CC[C@@H](CNCc2ccc(OCCCCl)cc2)C1	811506898	JVLNICXENFDCFC-KRWDZBQOSA-N	324.896	3.514	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC(C)(C)C[C@@H](C)O	813080420	FYPROFULHJFDBM-CQSZACIVSA-N	321.465	3.542	50	20	DHGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1ccccc1	814212521	RIVLWDILEULMFH-YZIXDGRDSA-N	308.381	3.652	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)C[C@@H](O)Cc1ccccc1	814649549	VHCCZZNWDZIVRK-KRWDZBQOSA-N	323.553	3.544	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)Cn1c(C)nc2ccccc21	814730292	NBILAQGPCYTJMM-UHFFFAOYSA-N	312.417	3.583	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccccc1C#N	815005267	SHOSDGVLWYCUSD-UHFFFAOYSA-N	312.760	3.757	50	20	DHGD	
CCc1ccc(C#CC(=O)NNc2ccc(Cl)c(F)c2)cc1	815857363	AFPICWYWDQOMLO-UHFFFAOYSA-N	316.763	3.536	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H]1CC2CCC1CC2	816172931	KGVSJLJLHQKKIU-AMUVOQDHSA-N	314.216	3.658	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccccc1OC(F)(F)F	829949629	WQTDKTFEPMGAMJ-QMTHXVAHSA-N	316.323	3.855	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2ncc(C(F)(F)F)cc2Cl)cn1	834823920	SAVIWAKAWZYFKX-XNWCZRBMSA-N	312.682	3.551	50	20	DHGD	
C[C@@]1(CNCc2ccnc(Cl)c2Cl)C[C@H]1Br	856808716	DJGOHYNESNKAJC-KCJUWKMLSA-N	324.049	3.652	50	20	DHGD	
CC1(C)C[C@@]1(C(=O)NNc1ccc(Cl)nc1)c1ccccc1	857140684	BOIKRKAAKHFITE-KRWDZBQOSA-N	315.804	3.546	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNc2cccc(C)n2)c1	860518826	INCHGTQOCQGDMI-CYBMUJFWSA-N	314.389	3.716	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NN[C@@H](C)C(F)(F)F	862313548	JIJNGZDADDWKHC-AAEUAGOBSA-N	308.388	3.945	50	20	DHGD	
CCC[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)c1cccc(Cl)c1	862323460	VLMUCBGHEJFXDZ-JOYOIKCWSA-N	322.758	3.795	50	20	DHGD	
CC(CCCc1cccnc1)=NNC(=O)c1cc(C)cs1	863157265	WKYRQKRQXHMTAC-UHFFFAOYSA-N	301.415	3.580	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-n2cccn2)cc1	884219560	SLXJUPFNEOUIPN-PTNGSMBKSA-N	303.321	3.564	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)c1ccc2c(c1)OCO2	916581591	KRBLORPBLUBSHB-UHFFFAOYSA-N	304.390	3.882	50	20	DHGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)c1ccsc1	48333961	GRFVKWDEAPCGKH-IUXPMGMMSA-N	319.389	3.783	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2)ccc1SC	69147490	WDXCNQRBNVUEJY-UVTDQMKNSA-N	324.405	3.963	50	20	DHGD	
CCCCCc1nnc(NC(=O)NNc2ccccc2F)s1	91989883	VMCDBZFWMIXXHC-UHFFFAOYSA-N	323.397	3.559	50	20	DHGD	
Cc1ccccc1NNC(=O)c1csc2c1CC[C@H](C)C2	120304324	UDWXXSLSKZGDRW-NSHDSACASA-N	300.427	3.938	50	20	DHGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1ccc(OC(F)F)cc1	121990217	MZYMKHHNWRLSFN-LBPRGKRZSA-N	320.339	3.610	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1cccc(Cl)c1	155546254	VTNJBTOQYTYAAO-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2n[nH]c3ccccc23)cc1	181122925	GBHQJNGCKDBJAE-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CCc1nc([C@H](C)NC(=O)NNc2c(C)cccc2F)cs1	185379619	CVMHRORSADRDFQ-JTQLQIEISA-N	322.409	3.540	50	20	DHGD	
COCCCn1nccc1/C=C(\C#N)c1nc(C(C)C)cs1	282714972	VHDAXDFEKVVLFW-UKTHLTGXSA-N	316.430	3.564	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1C	303846344	JHTHCFWUFZALJP-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
CCCC(=NNC(=O)OCC)c1cccc(C(F)(F)F)c1	726418325	YPTHUWMKHLEKNM-UHFFFAOYSA-N	302.296	3.956	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2cccc(F)c2)cc1	748090429	QUUCYRRPSBMCNC-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1	748395323	MGVHQWWOIPYEKA-FXAWDEMLSA-N	306.409	3.651	50	20	DHGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)C1CCCC1	749158651	VXZYXGFXMGDOFE-UHFFFAOYSA-N	301.415	3.521	50	20	DHGD	
O=C(NN=C1CCc2c(F)cccc21)c1cc2ccccc2o1	749832478	VBBYCOVGZHKMIN-UHFFFAOYSA-N	308.312	3.652	50	20	DHGD	
CCSc1ccc(C(C)=NNC(=O)CC(F)(F)F)cc1	755660102	AJOBCRNWLHUAAG-UHFFFAOYSA-N	304.337	3.591	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CC2(CCC2)Oc2ccccc21	757830387	NDFSUECBVYTYJZ-INIZCTEOSA-N	323.396	3.759	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cc(F)cc(OC)c2)cc1	759322274	PDHSRXJMTOZEFJ-UHFFFAOYSA-N	316.376	3.934	50	20	DHGD	
Cc1ccc(SCC(=O)NN=CC2Cc3ccccc3C2)cc1	766434783	YEMNLWPYNBJHCO-UHFFFAOYSA-N	324.449	3.604	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2cccnc2Cl)cc1	768230876	SEAKAMQIRGWXGU-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)c1ccccc1F	770367154	HAIHOEVBBCQQOA-NXEZZACHSA-N	303.171	3.503	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc(F)cc(Cl)c1)c1ccccc1	776728432	DQAHOFYIYOQJOW-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2nc3ccccc3cc2C)c1	777481715	QYSYJZOSYUAVQY-UHFFFAOYSA-N	319.364	3.503	50	20	DHGD	
CCOC(=O)NN=Cc1c(Cl)cccc1SC(C)C	786038350	UFHFDRLFIUVWCR-UHFFFAOYSA-N	300.811	3.921	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccc(F)cn1	787597912	AAMAPZMVVYVEEV-CYBMUJFWSA-N	315.435	3.978	50	20	DHGD	
Cn1cnc2cc(/C=C(/C#N)c3cnc4ccccc4n3)ccc21	790226946	BFHNWLSXDAINBG-ZSOIEALJSA-N	311.348	3.581	50	20	DHGD	
Cc1nc(-c2cccc(C(=O)NNc3ncccc3C)c2)cs1	791213689	NOCRDLYRRIRTQV-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1Cc1ccc(C)cc1	791458230	GHFWQJNJWVYVDW-MRXNPFEDSA-N	308.263	3.953	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](SC)c1ccccc1	795523035	XFEASTLYYIIAFX-GFCCVEGCSA-N	315.232	3.585	50	20	DHGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)c1ccoc1	798229494	CWLDBHOEBSOZTR-KPKJPENVSA-N	307.227	3.968	50	20	DHGD	
O=C(NCC1CCC(F)(F)CC1)NNc1ccccc1Cl	800741587	QQHCITFQHBZTGG-UHFFFAOYSA-N	317.767	3.792	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	802022683	FAYKGVGFRUAVHT-NWDGAFQWSA-N	323.824	3.709	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2c(c1)CCC=C2	802830826	KNYROBWSZIWSNC-UHFFFAOYSA-N	318.298	3.820	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1cccc(F)c1	812768807	HFTGJUQSSJVEFG-UHFFFAOYSA-N	300.377	3.943	50	20	DHGD	
CSSCCNC[C@@H](O)c1ccc(Cl)cc1Cl	819297963	YTRQPQOLOSMCLD-LLVKDONJSA-N	312.287	3.628	50	20	DHGD	
CN1CCC[C@@H](CCNCc2ccc(OCCCCl)cc2)C1	839182813	PVWTUPBXKDIQCJ-KRWDZBQOSA-N	324.896	3.516	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2CC(C)(C)Oc3ccccc32)c1	839499251	VVEAAOPRJXJJAJ-MRXNPFEDSA-N	310.397	3.783	50	20	DHGD	
CC#CCCCC(=O)NNc1ccccc1Cc1ccccc1	846464623	QFRGSQHDKNQPDB-UHFFFAOYSA-N	306.409	3.914	50	20	DHGD	
CCc1cccc2cc(/C=C(\C#N)C(=O)[C@@H]3CCCOC3)oc12	849179400	OGTHJUXQRRJMQR-VGVSSDJJSA-N	309.365	3.898	50	20	DHGD	
C/C=C(/CC)C(=O)NNc1ccc(Cl)cc1Br	856231900	BFOSGLKRQXDBSY-BAQGIRSFSA-N	317.614	3.902	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1ncnc2ccsc12)C(C)C	857156796	XKYTYXFGQWXSDJ-LLVKDONJSA-N	306.435	3.597	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)c(Cl)c2)c(C2CC2)n1	863082558	NOIKWFKXMOMNPF-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
CCCCOc1ccc(N/C=C(/C#N)C(=O)OCC)c(C)c1	918727975	YYSZWEXBXHITEV-OWBHPGMISA-N	302.374	3.556	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(Cl)cc2C)CC1	928339658	JSSPBFCMBVSCCA-UHFFFAOYSA-N	310.825	3.687	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(C)c(Cl)c2)CCC1	1334108589	HUHUMOBNWBXQRX-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](N2CCCC2)CC1	1346835706	INQVOFHBFWAHGB-QGZVFWFLSA-N	320.864	3.516	50	20	DHGD	
O=C(O)CC[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1608706648	MSNJVHQVTYQFGV-YMAMQOFZSA-N	323.820	3.506	50	20	DHGD	
C=CCC[C@H]1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776046194	FIVXWMOAIXDSRW-LBPRGKRZSA-N	315.373	3.629	50	20	DHGD	
Cc1csc(CC(=O)NN=C2C[C@H](C)CC[C@@H]2C(C)C)n1	7906905	SFQYIWVQAIUHBQ-DGCLKSJQSA-N	307.463	3.558	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1F	8202110	QXYRYAHWLNZAJH-NTCAYCPXSA-N	305.308	3.628	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@@H](C)O3)cc1	9029076	QOZUCPZUNGYTRB-SWEABUAFSA-N	318.376	3.864	50	20	DHGD	
O=C(CCC(=O)c1cccs1)NNc1cccc(Cl)c1	30610975	SQZBRBHMYIOUEV-UHFFFAOYSA-N	308.790	3.508	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(Br)cc1	57547574	UMDHLDZPHCORBV-XFXZXTDPSA-N	308.175	3.699	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccc(F)cc2)c(C)c1	92430810	CDLZNCCFMNFTRR-UHFFFAOYSA-N	303.337	3.681	50	20	DHGD	
CC[C@@H](NNC(=O)c1ccc2ccccc2n1)c1ccccc1	112517634	WQQKUPZCYBOHOW-MRXNPFEDSA-N	305.381	3.621	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]nc1C(C)(C)C	127360723	ADMXDYIROORHLG-LCYFTJDESA-N	308.385	3.561	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2C(F)(F)F)c1	150817096	ZXFTWAFNNKLVIN-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
O=C(NNc1ccccc1F)c1csc(-c2cccs2)n1	152964563	UNOZJDMRYMGIRP-UHFFFAOYSA-N	319.386	3.768	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(SC(F)F)cc1	153310236	WBVRVYKKUFBLPA-UHFFFAOYSA-N	312.316	3.897	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2ccc(F)cc2)CCCC1	155009474	URTPPLFXICCPLO-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(F)c(Cl)cc2Cl)cc1	155132656	SJUUQABAETYZMQ-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ccccc2)s1	170811893	IUHPDSWJNDXXGQ-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CC3)c2C)cc1	211559524	STELXPQRWWCYJR-BOPFTXTBSA-N	319.408	3.588	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)c1ccccc1	252639991	YPDKCXAAJGBTLT-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1cc(Cl)ccc1O	254721456	MTCXMJZXPCPGLX-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
C[C@H](Sc1ccccc1Cl)C(=O)N1CC=C(C#N)CC1	270920205	CTBSEYNFRGVZNK-NSHDSACASA-N	306.818	3.503	50	20	DHGD	
CC(C)(C)Oc1ccc(NC(=O)NNc2cccc(F)n2)cc1	287148605	NZYQGSWTNJTUNE-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
ClCCCOc1ccc(CN2CCC3(CCOCC3)C2)cc1	378144048	YNVIOTOHAWRLIY-UHFFFAOYSA-N	323.864	3.697	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(CSC(F)F)o1	490616257	LWOZMYGQRYVOII-UHFFFAOYSA-N	306.334	3.594	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccc[nH]2)oc2ccc(C)cc12	725854271	FBVZMWXTEVBRGX-UHFFFAOYSA-N	309.369	3.786	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1C#N	741840591	ABZJBAJKWLNJFM-DHDCSXOGSA-N	314.348	3.816	50	20	DHGD	
CC(C)NC(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	745009590	VNDJLSOFRCBEDQ-UHFFFAOYSA-N	322.821	3.505	50	20	DHGD	
Cc1ccc(C(=O)NN=CCCCCOc2ccccc2)o1	753963513	IEYALHRRANUZMF-UHFFFAOYSA-N	300.358	3.553	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)C(=O)NCc1ccccc1	758017203	LCUSXDPCOXGKHK-QSJINSDNSA-N	324.330	3.744	50	20	DHGD	
O=C(Cc1ccco1)NNc1c(Cl)cc(Cl)cc1Cl	764454305	YJLISYCNBVXQIE-UHFFFAOYSA-N	319.575	3.926	50	20	DHGD	
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)OC1CCCCC1	765499928	HNKNVBFDDPMXMX-PKNBQFBNSA-N	324.302	3.883	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cc(OC)cc(OC)c1	769568579	JHULRVSKCIGGFP-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(F)cc1C(F)(F)F	771884914	RYQOYQRPBRWJFT-UHFFFAOYSA-N	304.287	3.731	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1cc(C(F)(F)F)ccc1F	773507389	UJMGOJSNFBBQQI-MRVPVSSYSA-N	324.343	3.819	50	20	DHGD	
N#CSCCCNC(=O)c1cc2ccccc2c2cccnc12	773594703	YZMIBGWRPDTPTO-UHFFFAOYSA-N	321.405	3.722	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC=CCC2)c1C	778987514	YHVPOBFQHHXGOG-AQTBWJFISA-N	311.429	3.601	50	20	DHGD	
Cc1nc2cc(NC(=O)NNc3ccccc3F)ccc2s1	781498934	DENZMYWVMDEQQS-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1nc(N)sc1C(=O)NN=CC1CCC(C(C)(C)C)CC1	783825308	YEJWGQYCAVBUBZ-UHFFFAOYSA-N	322.478	3.602	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@H](C)C[C@@H]1C	783861776	HUVWWGVLKOCCLG-STQMWFEESA-N	320.458	3.716	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ccn(C2CCCC2)n1	785345594	QNVYRWYFQIKVTA-VBKFSLOCSA-N	321.380	3.649	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Oc1ccc(Cl)c(C)c1	791100656	USKIYDAUXZHOQZ-SNVBAGLBSA-N	319.879	3.543	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2ncccc2C)s1	791216393	SPDRAOFCGXWWTE-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccccc1OC(C)(C)C	792307593	BVLFPSDMDVTLQN-UHFFFAOYSA-N	314.389	3.716	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	793710275	KHOVPAARKDIAOG-STQMWFEESA-N	305.378	3.563	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cscc1Br	794688149	XNWRTKZVRISEHH-WEVVVXLNSA-N	314.204	3.761	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/C=C\c1ccc(F)c(F)c1	794696250	CXKFFCGASRODOI-NTBKVEBNSA-N	304.340	3.734	50	20	DHGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)C1CCOCC1	794952496	FHAAYXXWGRFMEP-MDWZMJQESA-N	309.287	3.608	50	20	DHGD	
O=C(NNc1ccccc1)Nc1nc2c(s1)CCCCCC2	799434906	WOZJATYZONUDAK-UHFFFAOYSA-N	316.430	3.951	50	20	DHGD	
CCCN(NC(=O)c1ccc(Cl)s1)C(=O)OC(C)(C)C	804594393	YFAXFVCYHIROCU-UHFFFAOYSA-N	318.826	3.693	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)N(C)CC(Cl)Cl	808246807	KLMFHVDGVJVRDB-LLVKDONJSA-N	306.258	3.819	50	20	DHGD	
CSc1cc(C)c(C(=O)NNc2cccc3c2CCCC3)o1	830801834	NOKPZVFICMWIFO-UHFFFAOYSA-N	316.426	3.946	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	836777966	BUZLWIKXXNYZNQ-JTQLQIEISA-N	314.307	3.775	50	20	DHGD	
Cn1ccnc1CN1CCCC[C@H]1CO[Si](C)(C)C(C)(C)C	844348749	CWRXOZZLVFGBRX-HNNXBMFYSA-N	323.557	3.796	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)c1cc2c(s1)CCCC2	885110116	PMPIZKHWBSRCEG-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
CSCc1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)cc1	906535803	ZONXBPIKGRJRFY-WCQYABFASA-N	314.248	3.662	50	20	DHGD	
CC(C)CC(=O)NNC(=O)N[C@@H](CC(C)(C)C)c1ccccc1	916518253	OBIVTLUEAJGXOT-HNNXBMFYSA-N	319.449	3.540	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cncn1-c1ccccc1	1252005213	SRIMIVRKUYXTOL-OAHLLOKOSA-N	322.412	3.558	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1)c1ccc(F)cc1F	1253442794	NVTQANYWUVKZLN-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
C[C@]1(COC(=O)[C@@H]2CCCC(F)(F)C2)C[C@H]1Br	1515797432	HIPFNLDCAZCFIY-FXPVBKGRSA-N	311.166	3.529	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cccc(C(=O)O)c2F)CCCC1	1603782964	OURIFIBCIPIGAW-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(CC(=O)O)c2)c1C	1777443728	NULXCRJUCWXTFS-YVLHZVERSA-N	319.360	3.720	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccco2)c1OC(C)C	16882656	IDTASLPRZPJJAA-GXDHUFHOSA-N	311.337	3.865	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1ccc(F)cc1F	113432950	GTMFWPMOJAOGIQ-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Cc2cccc(Cl)c2)c1	129795140	YWZKABMBODWEJW-ZDUSSCGKSA-N	302.805	3.970	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	153810222	LLAALPPKVPNHRY-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
N#Cc1ccc(NNC(=O)Cc2ccc(Cl)cc2Cl)cc1	155106651	QPHMVYRSKALAHX-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)NC1CCCC1	158324823	HKURHQHRCMEVLU-GHRIWEEISA-N	317.392	3.714	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1csc(-c2ccoc2)n1	160786807	LXHBSUDXOFLXNT-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccsc1	162317067	UCOSAOTUKYKZLI-UHFFFAOYSA-N	301.293	3.916	50	20	DHGD	
CCC(C)(C)C(=O)NNc1c(F)cc(F)cc1Br	174175536	COAUHSWNBPRRTE-UHFFFAOYSA-N	321.165	3.607	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175503600	GHJFCDOJTZIEJL-HNNXBMFYSA-N	322.330	3.987	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H]2C[C@H]2c2ccc3ccccc3c2)c1	176754515	PMXQHJOGULJWPY-ROUUACIJSA-N	317.392	3.790	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1nc2ccccc2s1	184298332	PCDGSQCNNXHMJN-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H](C)c1c(C)n[nH]c1C	281646889	BBUXGWGLWXJEMF-GFCCVEGCSA-N	314.433	3.534	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(Cl)cc1C(F)(F)F	297233148	YPJHCYZCTBXADZ-UHFFFAOYSA-N	320.525	3.892	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1sccc1C	733747704	QXJMTLFSDIMQRR-UHFFFAOYSA-N	324.352	3.812	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(SCC(F)F)cc1	741761574	OGTHWDFXMUSGMH-SNVBAGLBSA-N	314.401	3.930	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746893063	DLLYLOGKPSZSJO-SNVBAGLBSA-N	313.323	3.846	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(OC2CCC2)cc1	748058720	LBOCNSCEUPMBKX-UHFFFAOYSA-N	300.333	3.514	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)CCc1ccccc1O	748252211	PJVYFCNMDYGZFL-CYBMUJFWSA-N	302.418	3.643	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1cc(C)cc(C)c1	748362554	ORLXJTXCICEWFD-SFHVURJKSA-N	312.413	3.913	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cccnc2Cl)c(C)c1	754485290	SIJZEYUHBFVYNA-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C)cc2Br)cc1	755224925	BRIWQEWEWJBWCB-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(Br)cc1F	762237290	LOQBBDDVTWEUPQ-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCC1(c2ccccc2)CC1	767012102	POZPCEKWIYDCBI-ZDUSSCGKSA-N	324.262	3.644	50	20	DHGD	
Cc1cc(C=NNC(=O)Cc2ccc3ccccc3c2)c(C)o1	767899418	JFRAAWMTKGKSJG-UHFFFAOYSA-N	306.365	3.742	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	768249904	DNLJPCXGISYUMV-LBPRGKRZSA-N	313.357	3.865	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)c1ccsc1	777479123	USSPJFPQCXZIEU-GFCCVEGCSA-N	311.410	3.852	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1OCC	781553467	SMXLHYBQMZFWNO-ATVHPVEESA-N	323.392	3.764	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)C2CCCC2)c1OC(F)F	781555136	ZGZBEVBNUJLSDA-UKTHLTGXSA-N	321.323	3.963	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)C1(Cc2ccc(F)cc2)CC1	783914803	WPVPWPPQYKMWQS-UHFFFAOYSA-N	318.779	3.945	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1csc(Cl)c1	787149988	JNPABHGLLHOQAU-UHFFFAOYSA-N	322.817	3.629	50	20	DHGD	
Cc1csc(C(=O)OC[C@H](C)CBr)c1Cl	791598678	FMTUGTJZWTUYKT-ZCFIWIBFSA-N	311.628	3.898	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2c(C)cccc2F)c1C	792480974	HDQVWJOQELDSCN-NSHDSACASA-N	319.384	3.759	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	793710273	KHOVPAARKDIAOG-QWHCGFSZSA-N	305.378	3.563	50	20	DHGD	
CSSCCNC(=O)Nc1ccnn1[C@@H](C)CC(C)C	794287998	SVWHOFUMYYSBQI-NSHDSACASA-N	316.496	3.623	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCF)c1cc(-c2ccccc2)on1	794889360	WERKGYRVULNFAA-LBPRGKRZSA-N	315.348	3.587	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1cnc2ccccc21	794951697	CPYZBHWKNKNAJL-UHFFFAOYSA-N	322.412	3.611	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1ccccc1Cl	798981915	WPJDMHNXOKKCTH-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
CC(C)N(C)C[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	811600924	MPCDUCRADCMMIW-UONOGXRCSA-N	318.552	3.545	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccco1	814916623	KAOJJOZWYWVPJT-NSHDSACASA-N	320.776	3.631	50	20	DHGD	
O=C(CC1CC1)NN=Cc1c(Cl)ccc(Cl)c1Cl	814989279	JFMLQYOHGATDHW-UHFFFAOYSA-N	305.592	3.897	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=CCC(F)(F)F	817323439	CCRWIONPSMDFHJ-NSHDSACASA-N	324.302	3.662	50	20	DHGD	
CC(C)(C)C[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	837166425	KAFXWAWYHCDNSS-VGVSSDJJSA-N	312.413	3.584	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2cncc(F)c2)C1	852524907	PNNYTOXKDDDOFN-OAHLLOKOSA-N	310.489	3.817	50	20	DHGD	
CC(C)c1cc(C(=O)NCCCSC#N)c2ccccc2n1	854363133	MYOQKQQFARBGLJ-UHFFFAOYSA-N	313.426	3.692	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2cccc(Cl)c2)C[C@H]1Br	856811235	LZMFGNCLITWFPF-PWSUYJOCSA-N	317.614	3.635	50	20	DHGD	
C/C(=C/C(=O)OC[C@@H](CBr)C1CC1)c1ccco1	859736939	JUHKTGGRPQHHBW-MQGYJPLLSA-N	313.191	3.647	50	20	DHGD	
C[C@]1(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	861887772	YCVNMIZYCJKMTO-YHAQOWFVSA-N	323.780	3.518	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCCC[C@H]1C(F)(F)F	869245241	OZRKXTAKCCGBLV-VHSXEESVSA-N	321.730	3.547	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1F)c1ccn(C2CCCC2)n1	871271680	VKFJDQUYZPNJCS-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2cc(Cl)ccc2C)CCO1	885126752	FJTIBJYOAZZWPX-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccc(NC(C)C)nc1	885127796	XLBUIKSINXDEMX-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)CNc2ccccc2)cc1	915918108	XFXFXNBUWUETKR-UHFFFAOYSA-N	309.413	3.546	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccccc1	916248721	JSFKRNYMUHUNPP-UHFFFAOYSA-N	308.312	3.850	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCC2	916650313	CLVWJFLZDBHSMU-YBEGLDIGSA-N	306.340	3.860	50	20	DHGD	
CC1(C)CCc2cc(C=NNC(=O)c3ccccc3)ccc2O1	920355471	BHSIPPDGXIBAMT-UHFFFAOYSA-N	308.381	3.554	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@]1(C#N)CC12CCCC2	928336742	AWQZZFICXWMBDJ-MRXNPFEDSA-N	303.793	3.566	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(Sc2ccccc2)CC1	1253500151	YNOXTZLHWACJNB-UHFFFAOYSA-N	316.401	3.902	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(-c2ccccc2)s1	1261733097	LPYDHBCODOVAEX-UHFFFAOYSA-N	302.424	3.749	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1csc2ccccc12	1334089446	MSVDIGZJXDSZRG-UTEVDWOZSA-N	300.383	3.522	50	20	DHGD	
O=C(Nc1ccc(-n2ccnc2)c(F)c1)C1CCC(Cl)CC1	1348547908	IGSVZYRDBOPXEF-UHFFFAOYSA-N	321.783	3.748	50	20	DHGD	
CCCC[C@@H](CC)CNC(=O)c1c(C)nn(CCCl)c1C	74393643	IJQYQJVIKFAFJB-CQSZACIVSA-N	313.873	3.685	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)c1	89456472	QNKZZZQEDAKJRJ-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
CCc1ccc(C(=O)NNc2cccc3c2CCCC3)s1	120091710	ZXHZGFIOYNSWLB-UHFFFAOYSA-N	300.427	3.946	50	20	DHGD	
Cc1cnccc1NC(=O)NNc1ccc(C(F)(F)F)cc1	120505668	XYVANLWKWHLVEM-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCc1ccsc1C(=O)NNc1ccc(OC(F)F)cc1	121679258	HBPPKVUSFIPMDH-UHFFFAOYSA-N	312.341	3.669	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(F)cn2)cc1	123157750	IFIXTLJUAXCIBJ-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
Cc1ccccc1C(=O)NNc1cc(C(F)(F)F)ccc1F	128852871	ZYXROFFJCHNLCI-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
C[C@@H](CBr)CN1CCc2c([nH]c3ccccc23)C1	152739847	IOFUAIFAVMMSCS-NSHDSACASA-N	307.235	3.557	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccccc1Oc1cccnc1	153127273	SFFPQYAFDXPHJY-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)c1	175468820	UNCZPCXNYPNAPN-UHFFFAOYSA-N	324.302	3.650	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1C	190184453	XDHXULGYZXSSGU-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	195172268	GBBBKVIGXDYDOP-UKTHLTGXSA-N	314.385	3.986	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1F	195501910	KTFMWMXDMBIXDR-FMIVXFBMSA-N	314.291	3.519	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC(Oc2ncccc2F)CC1	278043390	COWCOYBINMCICF-QGMBQPNBSA-N	323.371	3.629	50	20	DHGD	
CCC(=NNC(=O)c1cccn1C)c1ccc(Cl)cc1Cl	725846665	KMIXEMHPEAPLIU-UHFFFAOYSA-N	324.211	3.876	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC[C@H]2CCC(C)C)cs1	727253597	JFXCXFYCHONTRJ-ZDUSSCGKSA-N	307.463	3.703	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1nc(C)sc1C	731153500	PCMIMCDTUWEACE-UHFFFAOYSA-N	315.442	3.578	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@@H](C)CC)c1C	731998276	SGSYESQJYYCXMH-BGARDKSCSA-N	315.461	3.926	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@H]1CCCC[C@H]1C)c1ccccc1	732000235	GZPVWCXFSBRUOU-OIISXLGYSA-N	316.445	3.544	50	20	DHGD	
O=C(NN=C(CC1CCCCC1)c1ncccn1)c1ccccc1	733901894	IDRFNSXNKOPYNN-UHFFFAOYSA-N	322.412	3.581	50	20	DHGD	
Cc1csc(CC(=O)NN=C(C(C)C)C2CCCCC2)n1	733907416	PIVRENMNXMXXHY-UHFFFAOYSA-N	307.463	3.703	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	742037731	YQZOETBCTBJVOW-CYBMUJFWSA-N	315.417	3.535	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2nccc3sccc23)c1	743412379	GSOJFUYJQLXJRU-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC(=NNC(=O)NC1CCCC1)c1ccc2ccccc2c1O	743532353	XIGRTAQNWAJVFZ-UHFFFAOYSA-N	311.385	3.511	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2ccc(C)c(C)c2)c(C)c1	743764347	NGIIMZSGNMEYKK-UHFFFAOYSA-N	312.413	3.751	50	20	DHGD	
CC(C)n1ccc(C(=O)NNc2ccc(Cl)cc2Cl)n1	748018750	JAWHLGGEIXMDRE-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CC/C(=C\C(=O)NNc1cccc(C#N)c1)c1ccc(C)cc1	748032452	MYCVHSAONCREKI-FOWTUZBSSA-N	305.381	3.803	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cnn(-c2ccccc2)c1	748250594	DZJXORWSDZQDSS-AWEZNQCLSA-N	312.417	3.804	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1oc(C(C)C)nc1C#N	751726420	PEQOSKUNBZYPQO-LBPRGKRZSA-N	306.410	3.719	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC(C)(C)C[C@H]2C)cc1OC	766002874	QWAMBNRQUWYSFR-GFCCVEGCSA-N	318.417	3.636	50	20	DHGD	
C#C[C@@H](CC)OC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	768048831	LRAGJKFCSHYNLW-FSEPTYSPSA-N	312.413	3.767	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)c1	771514631	SGPSNVSDWQASKU-GXDHUFHOSA-N	323.323	3.695	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNc2cnc3ccccc3n2)cc1	775422211	PHMPWHXFSDFBRO-UHFFFAOYSA-N	321.384	3.902	50	20	DHGD	
COC(=O)N(C)N=C1CCCc2c(Cl)sc(Cl)c21	794964112	WXWXIMLQWMSCJM-UHFFFAOYSA-N	307.202	3.794	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1c(F)cccc1Cl	803117366	VEOZZQMVLAXYPY-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
Oc1ccccc1CCNCc1ccc(OCCCCl)cc1	811477362	OPZACODIXDTDNG-UHFFFAOYSA-N	319.832	3.732	50	20	DHGD	
CCOC(C)(C)CNC(=O)NNc1c(C)cccc1C(C)C	813145141	STHPPEHHJSENJV-UHFFFAOYSA-N	307.438	3.560	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(OC(F)F)cc2)ccn1C(C)C	815855070	DAWXZMXGJOIEDV-UHFFFAOYSA-N	323.343	3.736	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Cl)n2)c(C)cc1Cl	817006145	XQCJXNNAKNFGSQ-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
Cn1cc(/C=C(/C#N)n2cnc3ccccc32)c(C(C)(C)C)n1	840720747	QPASDFZQVDJBHO-ZROIWOOFSA-N	305.385	3.589	50	20	DHGD	
C[C@H](Cn1ccc2ccccc21)C(=O)N(C)CC(Cl)Cl	848082984	FWGLZQCCOUAERV-LLVKDONJSA-N	313.228	3.540	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849244451	BLEJEWYFTYYASR-ZDFYXSBBSA-N	313.397	3.767	50	20	DHGD	
COC1(C(C)=NNC(=O)c2cc3c(s2)CCCCC3)CCC1	853280372	IQBMSSCSNXZTRG-UHFFFAOYSA-N	320.458	3.692	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	885127562	USXXTWQYFXTIGR-CJNGLKHVSA-N	324.852	3.933	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1csc(Br)c1	914554989	DQNGCJIJKNZKEA-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)C2CCCC2)cc1OCC	914836343	HXEJCQWYQVAOKB-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1scnc1C	915111730	LUDJDUVATFSGMZ-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1nc(-c2ccccc2)no1	916131691	NBEHPRJCLQRRGA-UVTDQMKNSA-N	318.292	3.709	50	20	DHGD	
CC(C)CC(=O)NNC(=O)N[C@H](CC(C)(C)C)c1ccccc1	916518254	OBIVTLUEAJGXOT-OAHLLOKOSA-N	319.449	3.540	50	20	DHGD	
Cc1cc(NNC(=O)[C@]2(C#N)CC23CCCC3)ccc1Cl	928339684	HSUFZDJQUCOPNG-MRXNPFEDSA-N	303.793	3.566	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Cl)nc2C)cc1Cl	1319535782	QSMRXBRKHUPBGO-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H]1c1ccccn1	1337088262	WRYBFYDLPFDVOF-INIZCTEOSA-N	300.789	3.798	50	20	DHGD	
CCC(=O)NC1(c2ccc(NC(=O)[C@@H](Cl)CC)cc2)CCC1	1790485444	AYYJZJFWHRAJMN-AWEZNQCLSA-N	322.836	3.548	50	20	DHGD	
N#CC(C#N)=CNc1cc(Cl)ccc1OCC(F)(F)F	26222907	KXDUXVUCUJQBPU-UHFFFAOYSA-N	301.655	3.624	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1	48333599	BREKUWVTEKYNCZ-ZROIWOOFSA-N	311.362	3.633	50	20	DHGD	
O=C(Cc1ccc(CBr)cc1)OCc1ccccc1	98178414	NULZSYVCOGJFJP-UHFFFAOYSA-N	319.198	3.867	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1F	132535970	BVUMFQMFRHUSKO-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CCC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCC1	134264650	NLJRBQSYNCMHPJ-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccncc1Cl	153760157	BXCWQAYBXUPBKE-UHFFFAOYSA-N	318.808	3.704	50	20	DHGD	
Cc1csc(-c2cccc(C(=O)NNc3ccccc3)c2)n1	154935250	VVECLRFSVQGDBU-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
CC/C(=C/C(=O)NNc1ccc(C#N)cc1)c1ccc(C)cc1	155318427	DNVZCCIUDVOWCE-VBKFSLOCSA-N	305.381	3.803	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2[nH]cnc2c1	159943174	LZVFJGUSPMOMNF-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccc(OC2CCCC2)cc1	163741525	QPRJRUKLFFSJHJ-UHFFFAOYSA-N	312.373	3.552	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)Nc1nc2ccccc2s1	170697345	MHONVUKBZMTORZ-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
CCOC[C@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	175545863	GIMYKEQJEABIBY-KBPBESRZSA-N	317.520	3.586	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1C#N	179320010	ADYYWICNDSEFRO-WJDWOHSUSA-N	317.348	3.503	50	20	DHGD	
C=C[C@H](CC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	179493699	ZVAOMHHJZKBIPZ-LLVKDONJSA-N	320.314	3.907	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1OC	211205915	FZFCSJOWAOMORI-ZROIWOOFSA-N	311.337	3.785	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1c(OC(F)F)ccc2ccccc12	211280900	QVTPNLOIAQMGOL-XFXZXTDPSA-N	317.291	3.911	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2coc3ccccc23)c1	254988041	JVZWCKDLJBCUNE-LCYFTJDESA-N	318.332	3.987	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(C#N)o3)c[nH]c2c1	255712880	FKOZJYFSANTCHU-GHXNOFRVSA-N	301.305	3.731	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ncc(C2CCCCC2)s1	275598672	HUAMDCOQGSACPJ-UHFFFAOYSA-N	317.418	3.734	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CCSc2ccccc21	283904321	IATQELLVEXWGCK-NSHDSACASA-N	314.501	3.534	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccc2cc[nH]c12	490698462	RVYUUCJBQAJQND-MHWRWJLKSA-N	319.339	3.530	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C	491102343	HNOZZDIMFSDZQX-VSKPTYQZSA-N	306.793	3.597	50	20	DHGD	
O=C(NN=Cc1cnc(-c2ccccc2)s1)c1ccccc1	727252393	XITBXMHMHVUTDX-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1nc(-c2ccccc2)no1	728081134	AVRLFDQZFGYUAJ-UHFFFAOYSA-N	314.389	3.540	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1cc(F)c(F)c(F)c1	730433004	FHHYAILJMCKLLT-UHFFFAOYSA-N	321.302	3.958	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(F)cc1F)c1ccccc1	731931950	UXJKNPANBQOKHP-OAHLLOKOSA-N	302.324	3.609	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C3\COc4ccc(F)cc43)[nH]c12	735620411	ZJYLCXPNPGEALM-BUHFOSPRSA-N	305.312	3.837	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2coc3ccccc23)c(C)c1	746557204	UMBXPIJOZHASAN-UHFFFAOYSA-N	321.380	3.612	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1)C1CCCC1	747591629	ZNKRNXKITQGVRE-JTQLQIEISA-N	300.324	3.975	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2ccccc2F)cc1	748050923	YKTOQSXTKLLOME-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
CCC1(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CCC1	751394198	ZMILAAPKFMVIBP-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
CCc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)o1	760227089	RKKPRSXRZYPWNU-UHFFFAOYSA-N	322.817	3.738	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(N(C)C)c(F)c2)cc1	764892243	UJHYBBTWXHVXJT-YBEGLDIGSA-N	308.356	3.990	50	20	DHGD	
CS[C@H]1CCCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768294274	KLQCNUCBBWXUMK-WDEREUQCSA-N	322.312	3.540	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(Cl)cc1Br	769797176	OSDLGFKZEBOXPN-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1cc(Cl)ccn1	778449315	HOXVQYMBSKGYCO-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
COc1ccc2nc(NNC(=O)C(C)(C)C(C)C)c(C)cc2c1	784458545	CEQWSFAAZIYHDW-UHFFFAOYSA-N	315.417	3.677	50	20	DHGD	
C/C(C=NNC(=O)CC1CCCC1)=C\c1cccc([N+](=O)[O-])c1	787154944	MOWDYFZXSYFOHF-LYPUKVMISA-N	315.373	3.680	50	20	DHGD	
CN(Cc1nc(-c2cccs2)no1)/C(=C/C#N)c1ccccc1	796105278	PXXGZAHHOXSRFS-NTEUORMPSA-N	322.393	3.795	50	20	DHGD	
CC[C@H](CC(=O)NNc1ncccc1F)c1ccc(C)cc1	804213589	MSDFJXLBXHCMJJ-CYBMUJFWSA-N	301.365	3.556	50	20	DHGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1ccc(Cl)nc1	810460924	IMHNDWYVRRZWJU-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
C/C(C=NNC(=O)C(C)(C)C)=C\c1ccccc1OC(F)F	811638024	QKBGTLJYVRSBNM-FDBMWMNRSA-N	310.344	3.839	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(C)nc1C(F)F	812767625	MVXBRVUAIHKIJT-UHFFFAOYSA-N	322.359	3.546	50	20	DHGD	
O=C(NN=C1CCCCC12CCCC2)c1ccc2c(c1)OCO2	814700496	UTWBVMKACQGIQO-UHFFFAOYSA-N	314.385	3.636	50	20	DHGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NCCCSC#N	816537989	ADUKDGJZFYSPSI-OAHLLOKOSA-N	322.499	3.665	50	20	DHGD	
CC1CC(C#N)(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)C1	826679671	NMJICLDUEXSOAC-UUCFBXCCSA-N	322.525	3.549	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)[C@H]1C[C@H]2CC[C@H]1O2	834927540	MTQGPJFKBASPNT-BRWVUGGUSA-N	314.429	3.657	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@@H]1CCCC[C@H]1C	834932951	IFOUOPJBIMZVAS-ZWNOBZJWSA-N	308.809	3.978	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2ccc(C(C)C)cc2)cs1	837053569	PZIWWCCLPHWKPR-UHFFFAOYSA-N	302.399	3.831	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)c1ccsc1	840548137	BUBHXPUMVVTKLM-SECBINFHSA-N	324.837	3.562	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(CC)[C@@H]2C[C@@H]2C)cc1OC	841611921	CPUJMEJUBKCYSW-GXTWGEPZSA-N	318.417	3.636	50	20	DHGD	
Cc1cnc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)cn1	844348034	RWPMNHPSEFHRQF-INIZCTEOSA-N	321.541	3.771	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)cn1)[C@@H](C)c1ccccc1	852165948	ARNFLCURSHXHHP-NEPJUHHUSA-N	318.808	3.553	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2cncc(Cl)n2)C1	853897482	INWFUFUNDYLGCI-LLVKDONJSA-N	313.905	3.731	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ncccc2[N+](=O)[O-])C1	853897974	XNJSLNVMPRAWIG-GFCCVEGCSA-N	323.469	3.590	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NC[C@]1(C)C[C@@H]1Br	857394241	LLYABCMTYVDBII-SUNKGSAMSA-N	304.272	3.739	50	20	DHGD	
BrC[C@H](CN1CCC[C@@H]1c1ccncc1)C1CC1	859210628	LZBCNAWXHFTHMO-HUUCEWRRSA-N	309.251	3.640	50	20	DHGD	
Cc1cccc(NNC(=O)CCCc2ccccc2Cl)n1	862519840	UCTRHHYRRUGMMP-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
CC(CCc1ccccc1F)=NNC(=O)c1cc(C)cs1	863155341	GVVPDXJBNQMPOF-UHFFFAOYSA-N	304.390	3.934	50	20	DHGD	
Cc1csc([C@H](C)C(=O)NNc2cc(Cl)ccc2C)n1	885126604	BNMWNQCEZWAVAY-SNVBAGLBSA-N	309.822	3.660	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)[C@@H]1CCCC(F)(F)C1	885137506	ZROAYKXXPBEDHF-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2cccc3cccnc23)C1	901181478	ALBZXVVZBSSHIR-AWEZNQCLSA-N	313.426	3.626	50	20	DHGD	
Cc1ccc(C(=O)NN=C(CC(C)C)c2cccs2)c(O)c1	917549222	SDDAEIYCVUZAEB-UHFFFAOYSA-N	316.426	3.942	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc2)cn1	1321105067	DICPKCMFQXMLGZ-CXUHLZMHSA-N	307.397	3.999	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)OC2CCCCC2)cc1	1324635772	MVNRWSOFTDDOBD-AWEZNQCLSA-N	304.434	3.991	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NN=c1cc[nH]c2ccccc12	1328638414	DLAAYUNIKKACEL-AWEZNQCLSA-N	311.429	3.706	50	20	DHGD	
O=C(NCC1([C@@H]2CCCCO2)CCC1)C1CCC(Cl)CC1	1347152375	YLLDERSTWBWKJP-NRXISQOPSA-N	313.869	3.640	50	20	DHGD	
Cc1ccc(NNC(=O)C(CC(C)C)CC(C)C)cc1C(=O)O	1600463283	ZUQYDZLQQRGBDB-UHFFFAOYSA-N	320.433	3.845	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccccc2)c(C)s1	7697940	PUDOIVSWXBUNJW-JLHYYAGUSA-N	313.382	3.501	50	20	DHGD	
Cc1cc(Cl)ncc1NC(=O)NNc1ccccc1Cl	92930092	BRTNSINIZQSKDP-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(F)cc(Br)c2)cc1	122418008	USNBEAWTPFGDCH-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc2[nH]ccc12	122792296	BKYXFDBFPFAMSJ-UHFFFAOYSA-N	317.295	3.526	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)Nc1nccs1	133042371	XZSLEHFCLQFUJP-FLIBITNWSA-N	309.350	3.743	50	20	DHGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2cccc(F)c2)c1	154087254	VMCVCHRBHJXOCW-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](CC)CC#N)c1C	187906932	CRRVKBTXEATPDW-YTBHAWNYSA-N	313.401	3.657	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1nc(-c2ccccc2)c[nH]1	193128121	XRNGYJNQVVVXBW-VBKFSLOCSA-N	322.412	3.680	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCC2)cc2cccnc12	490841591	JADBARWZJJCJCI-LFIBNONCSA-N	305.381	3.509	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccc(OC)c(OC)c1	727250070	GIUSIGUKVDSAFN-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(C)n(CC)c1C	728287108	OPIJDHRXWSCPRT-ATVHPVEESA-N	301.434	3.728	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C)c(Cl)c1	728473449	LUJNLJZAPLUFPU-UHFFFAOYSA-N	321.716	3.784	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=O)c1ccccc1C)c1ccc(C)cc1	737774033	SDMIJUJFFGKHEF-INIZCTEOSA-N	324.424	3.648	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cc2cc(F)ccc2o1	741847883	JHPXGYHZVCQFSR-JLHYYAGUSA-N	300.333	3.785	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2ccc(Br)cc2)o1	743299307	LAMSDUHUYNMWGP-SNVBAGLBSA-N	323.190	3.597	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1CCSc2ccccc21	748101296	USZCKBUTLPMBJW-AWEZNQCLSA-N	302.374	3.548	50	20	DHGD	
CC(C[C@H]1CCOC1)=NNC(=O)CC12CC3CC(CC(C3)C1)C2	751522670	QTVBYIJLRJPCJU-DGTBMVLOSA-N	318.461	3.512	50	20	DHGD	
CCO[C@@H]1CCCC1=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	766434847	ZYMGNUKDCCXJRQ-SMDDNHRTSA-N	320.458	3.548	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1ccc([N+](=O)[O-])cc1	768244115	MNRNATVKQQJQKG-UHFFFAOYSA-N	305.378	3.789	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cc(Cl)ccc1O	769570905	YHLNDGOREHYUCM-GHMZBOCLSA-N	308.809	3.978	50	20	DHGD	
CSCc1cccc(NC(=O)NNc2c(F)cccc2F)c1	775613050	JZQGNIAFRYEOQK-UHFFFAOYSA-N	323.368	3.976	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2cc(Cl)ccn2)cc1	778446901	IKAOGRPJZAGJCW-UHFFFAOYSA-N	317.820	3.900	50	20	DHGD	
C=Cc1ccc(C(=O)NNc2ccc(Cl)c(OC)c2)cc1	790167771	FYSIVCYBFMYFIE-UHFFFAOYSA-N	302.761	3.749	50	20	DHGD	
COc1cc(NNC(=O)/C=C\c2ccsc2)ccc1Cl	790179540	VGLCWWKANZAECZ-DJWKRKHSSA-N	308.790	3.567	50	20	DHGD	
CSSCCNC(=O)Cc1cc(Cl)ccc1Cl	791116410	KVCVAILBBUYHQR-UHFFFAOYSA-N	310.271	3.663	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)c1cccnc1	797949853	GLRPGZXCEVVCAI-OAHLLOKOSA-N	321.783	3.757	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCNc1ccccc1C	799761160	BTEYPQLAMLZJNC-UHFFFAOYSA-N	311.429	3.811	50	20	DHGD	
CC(C)c1ccc2cc(C(=O)NNc3ncccc3F)[nH]c2c1	804216551	IEJAFFSTLGDYRD-UHFFFAOYSA-N	312.348	3.582	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C	804705651	HXIMSUVCHQOSDP-QBOMHBFWSA-N	320.820	3.640	50	20	DHGD	
Cc1ccnc(C)c1NC(=O)NNc1c(F)cccc1Cl	806536479	KRPAZXVGSKGWOE-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)nn1C(C)C	828101220	IUTACUREOAZOFA-UHFFFAOYSA-N	314.433	3.827	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H]1CC12CCSCC2	835072290	CTQBLMVTTRWGMO-GFCCVEGCSA-N	321.398	3.650	50	20	DHGD	
Cc1n[nH]c(C)c1[C@H](C)CC(=O)NNc1ccc(C(C)C)cc1	837052346	CFVOCWNNPDQPBL-GFCCVEGCSA-N	314.433	3.787	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1cccc(Br)n1	837210363	LVVXLGCWCZHBHP-SNVBAGLBSA-N	314.227	3.504	50	20	DHGD	
C[C@@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841189949	KKZGZORSCFPLSR-ZETCQYMHSA-N	319.299	3.813	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CC[C@@H]1CC1(Cl)Cl	855370912	LZPLQHGTFXEQBR-SECBINFHSA-N	305.180	3.551	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)C1CCC(C(F)(F)F)CC1	855465806	CGCHBABYIHFHQB-UHFFFAOYSA-N	321.730	3.547	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@H](C2CCCCC2)C1	855636761	PNKVKHUOSUMJEC-KMTKGMGQSA-N	324.424	3.728	50	20	DHGD	
C[C@]1(CNC2CCC(C(F)(F)F)CC2)C[C@@H]1Br	857066081	WWZIRLDCPQRWGC-WFBLGPOFSA-N	314.189	3.871	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(C2CC2)cc1	857134042	MURPJCGMDIYBBL-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
CC(C)(C(=O)NNc1nc2ccccc2[nH]c1=S)C1CCC1	862294409	IJALAOAVGARHAQ-UHFFFAOYSA-N	316.430	3.562	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1Cc2ccc(O)cc2C1	862608072	MYPQWAMFNURYIB-HNNXBMFYSA-N	323.483	3.949	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cnn(CC4CCC4)c3)[nH]c12	899343919	HLGRDCPQRRCOKX-LZYBPNLTSA-N	317.396	3.932	50	20	DHGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@@H]2Br)[C@@H]1c1ccccc1	906387942	IGZNOHLXNBHNBN-WOSRLPQWSA-N	322.246	3.770	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2sccc2C)c(C)c1	916593660	XTQLZVBBNPPDFN-UHFFFAOYSA-N	303.431	3.808	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)c1ccc2ccccc2n1	917146061	GOZQBXBMMSEOBU-WJDWOHSUSA-N	300.317	3.997	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3cccn3C)s2)cc1	920479810	SHJIICRMXZKGTG-UHFFFAOYSA-N	323.421	3.826	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(C(=O)O)cc2F)CCCC1	1591193371	YGRJMNNBOXFHTA-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045102	PFJNVIRENPFMDO-VXGBXAGGSA-N	317.389	3.709	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc2cc(F)ccc2s1	78387118	KJUQYQMLWFIVTG-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@H]1c1c(F)cccc1F	116170213	YWMSNKXZOQKDJZ-NEPJUHHUSA-N	322.742	3.865	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Nc2cccc(C)c2C)c1	122280899	NSPXJBUWGCYTEI-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1)c1c(F)cccc1F	163774023	LFFVUMWQEHULJU-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(Oc2cccnc2)c(C)c1	171981552	SFNQXGVTJUGDJF-LFIBNONCSA-N	320.348	3.819	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](c1ccc(Cl)cc1F)C(C)C	184003319	UCOKBQPHHPCVNA-SLZMIMFISA-N	324.783	3.736	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(OC)cc1)c1ccccc1	255114615	AADIXJPGFQWIOT-UMEYKSNOSA-N	320.392	3.870	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)c1ccsc1	255265273	WHUBKHBMGHVHEY-OQLLNIDSSA-N	309.394	3.533	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1	272911551	YYUUUZSELYFOIJ-RDJZCZTQSA-N	304.434	3.588	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCC[C@@H]1C(F)(F)F	293764238	URIIQOAJWRBMLW-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1	299069764	PBZRXXKWFCJNIB-FOWTUZBSSA-N	309.413	3.949	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cnn(Cc3ccc(F)cc3)c2)n1	588534614	SYNPRBGVDWADDX-UUASQNMZSA-N	324.384	3.900	50	20	DHGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1ccc2ccccc2c1	725856865	YXAFDTLSCGUMHT-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC[C@H]2CCCO2)cc1	726430040	WZWALVJHHKMNDP-ZDFYXSBBSA-N	313.397	3.767	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cccc2ncccc12	737431289	FPWZTIYAPXAIPY-AWEZNQCLSA-N	307.397	3.921	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2cc(F)c(F)cc2F)c1	740086435	XFRYQEAXKMHPQG-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
CCOc1cccc(C(C)=NNC(=O)c2c[nH]c3ccccc23)c1	743526254	PQFFCNSFSIKPLF-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2c(C)cc(C)cc2C)c(C)c1	743763232	CEYUIMJCHMPAEN-UHFFFAOYSA-N	312.413	3.751	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3c(F)cccc3F)ccc2n1	746292704	ASFBVCVLVXHFDL-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)Oc1cccc(Cl)c1	748571755	OHSZYLVTOGHVLJ-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1cc2cc(C)c(C)cc2o1	749157978	LSBICFCDVZMRQE-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(N2CCCCC2)cc1	749449157	BNKBNHFAIQOTNT-UHFFFAOYSA-N	313.445	3.707	50	20	DHGD	
Cc1cccc2c1CCN(/C(=C/C#N)c1ccc([N+](=O)[O-])cc1)C2	750043002	PHZVQBOYTQOBFW-DJKKODMXSA-N	319.364	3.826	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)CC2CCC(C)(C)CC2)o1	751782044	NXFKGZWNZYMTSH-UHFFFAOYSA-N	318.421	3.719	50	20	DHGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)c2ccc(C)o2)cc1	752175022	LYDCLAAMLMAZRS-LBPRGKRZSA-N	300.358	3.506	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1ccc(Cl)cc1Cl)OCC	756018346	XAFXNNZXIMNPFD-CYBMUJFWSA-N	317.216	3.808	50	20	DHGD	
CC(C)Sc1ccccc1NC(=O)NNC(=O)C1CCCC1	757682846	RSIOVQAOQHNDTM-UHFFFAOYSA-N	321.446	3.530	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1CCC(F)(F)C1	764376785	JOYHRSFCBIHRNA-QMMMGPOBSA-N	324.158	3.807	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2nc3ccccc3cc2C)o1	777477229	HTCVGHQQRBKPPV-ZDUSSCGKSA-N	309.369	3.691	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNc1ccc(OC)cn1	781535735	CSYNQEBNJOZIGS-CQSZACIVSA-N	305.422	3.530	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	782016367	CMHMLUPJVCSNBH-SNVBAGLBSA-N	300.324	3.975	50	20	DHGD	
O=C(NCc1cccc2cc[nH]c12)NNc1ccccc1Cl	786260971	RMYYDTIKKAOUGU-UHFFFAOYSA-N	314.776	3.648	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	786833258	WULINHLQDARIAX-AOHITCTBSA-N	300.402	3.774	50	20	DHGD	
CC(C)c1ccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	786887744	DVKWXNJRMAKRJH-WQRHYEAKSA-N	320.392	3.739	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccsc1Cl)c1ccccc1	790099103	DEIAOVBFRQAQQO-XFXZXTDPSA-N	302.786	3.971	50	20	DHGD	
CSSCCNC(=O)[C@H](C)CCc1cccc(F)c1	791100768	VYIIJXBAANSCOY-LLVKDONJSA-N	301.452	3.522	50	20	DHGD	
CSSCCNC(=O)c1cc(C2CC2)nc2ccccc12	791100821	YFWPKIMUEBAVJC-UHFFFAOYSA-N	318.467	3.853	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)/C(C)=C/C(C)(C)C)cc1C	794657133	IVOUVEZFPZEBEQ-ACCUITESSA-N	318.417	3.607	50	20	DHGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1ccccc1F	794860034	HMIPCWWDTTXFGI-UHFFFAOYSA-N	320.314	3.842	50	20	DHGD	
O=C(CCCC1CCCCC1)NNC(=O)Nc1ccccc1	801992723	ZTRBWKHJJUHBKJ-UHFFFAOYSA-N	303.406	3.590	50	20	DHGD	
C[C@H](Cc1ccncc1)NCc1ccc(OCCCCl)cc1	811482831	UFIDRRZEAAXFNW-OAHLLOKOSA-N	318.848	3.810	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(C)(CC)C2)c1C	812692316	SOEIIXAGOBBWRM-LICLKQGHSA-N	313.445	3.680	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2cccnn12	812763065	NYCSVRAAGGXALO-UHFFFAOYSA-N	308.385	3.523	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)s1	814700214	YCJSXJXNWVYHEP-UHFFFAOYSA-N	315.423	3.715	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(Cl)c(N)c1	814806867	UYIIMYNRILWVJH-UHFFFAOYSA-N	316.792	3.776	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cc3ccccc3o2)cc1	814998321	DOXYMEJSYHUQPT-UHFFFAOYSA-N	309.325	3.597	50	20	DHGD	
O=C(NN=Cc1cccnc1Cl)Nc1ccc(Cl)cc1	815005258	JVDPMBULVOOPPI-UHFFFAOYSA-N	309.156	3.544	50	20	DHGD	
Cc1ccc2nc(C(=O)OC[C@@H](C)CBr)ccc2c1	815394934	AKBNWGQQSAPXQD-NSHDSACASA-N	322.202	3.731	50	20	DHGD	
Cc1ccccc1[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	820879973	QLWPYXVHKVHOBO-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ncnc(Cl)c2C(C)C)c1	840930605	MMXVEFAAKOFDJN-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1cccc(OC(F)F)c1	842525881	FCTHDTVMNDZCIT-UHFFFAOYSA-N	318.270	3.583	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc3c(c2)C[C@@H](C)O3)cc1	854883282	YFZRWYFPMIKCOK-CYBMUJFWSA-N	310.397	3.890	50	20	DHGD	
CC[C@H](CC(=O)NC[C@]1(C)C[C@H]1Br)c1ccccc1	857404571	YXXJEVWDVWCBBO-XPKDYRNWSA-N	324.262	3.860	50	20	DHGD	
CC(C)n1cc([C@H](C)NC[C@H](CBr)C2CC2)cn1	859250549	LENHWUBNCGAVMZ-AAEUAGOBSA-N	314.271	3.536	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1c(F)cccc1Cl	867482498	VMDRQOYBHVCSGK-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(CC3CCC3)c2)s1	899344647	URWXRULDCAOXGW-VIZOYTHASA-N	311.410	3.843	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213762	VUNFDVFQVUNIEC-DCAQKATOSA-N	323.780	3.518	50	20	DHGD	
Cc1cc(NNC(=O)Nc2ccn(C(C)C)n2)ccc1Cl	931243557	JUKOSAJTSHFAFO-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CCc1cc(OCC(=O)NNc2cccc(C)c2)ccc1Cl	1337518047	JIWQFDWGGHJPOO-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
N#C/C(=C\c1cccc(OCCCc2ccccc2)c1)C(=O)O	11886256	YYSXYFUTYFNPSA-SFQUDFHCSA-N	307.349	3.690	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC[C@@H]2CCCO2)cc1	14175692	BARIVMRZYOHYLI-JMPLCFMRSA-N	313.397	3.767	50	20	DHGD	
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(CCl)c2)on1	37833276	ADYNBFZVUNEKDP-AWEZNQCLSA-N	304.777	3.699	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	44024036	MAZNIDFVMVDSAC-NTCAYCPXSA-N	308.381	3.672	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNc1ccc(F)cc1F	66326291	AXFZIIJMOUQBLT-UHFFFAOYSA-N	312.319	3.804	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccncc1Cl	72700610	DOOHUPCOIDBUSQ-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(-c2ccccc2)cc1	78530287	IJHMRTXETYNSKB-UHFFFAOYSA-N	322.408	3.695	50	20	DHGD	
Cc1ccc(NNC(=O)CCC(=O)c2cc(C)sc2C)cc1	124102656	KKGMOFOUEWFKAI-UHFFFAOYSA-N	316.426	3.780	50	20	DHGD	
CSc1ccccc1NC(=O)NNc1c(F)cccc1F	153477082	RGHVKOAMOSTAEI-UHFFFAOYSA-N	309.341	3.835	50	20	DHGD	
O=C(CCc1ccc(OC(F)F)cc1)NNc1cccc(F)c1	154660704	AIJINEVSDZMZRD-UHFFFAOYSA-N	324.302	3.503	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(Cl)ccc1F	175501399	KTURHRDAVNZAFU-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1ccnc(NNC(=O)CCSc2ccccc2Cl)c1	179142174	UWXPCZZYCINZIF-UHFFFAOYSA-N	321.833	3.669	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1ccccc1OC(F)F	183400488	WQLPFYDTAAEHPP-ZROIWOOFSA-N	324.286	3.950	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	213416325	XENTWESBZJJBHC-YVLHZVERSA-N	301.434	3.584	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2ccc(Cl)cc2)cc1	254523131	ZJAYRHYJDAXJLC-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	293573510	ALSIBYHIAFHPCT-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)c1O	490842600	LSJZATRLQUCOCJ-NTEUORMPSA-N	310.328	3.694	50	20	DHGD	
COC(=O)N(C)N=CCCCc1cccc(C(F)(F)F)c1	495614100	VAOGPNNWXUWRBP-UHFFFAOYSA-N	302.296	3.712	50	20	DHGD	
CC(C)CCC(=O)NNc1ccc(Br)cc1Cl	729276573	HEPZFWFXRAZJNK-UHFFFAOYSA-N	319.630	3.982	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)C(C)(C)c2ccccc2)cc1	731151000	QBYHJQRDBWMBOP-UHFFFAOYSA-N	324.424	3.903	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC1	735971091	PAYXJNSJLDARIT-UHFFFAOYSA-N	310.401	3.763	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2cc(Cl)ccc2O)s1	744775617	CBXXHQVMAFMDDC-UHFFFAOYSA-N	322.817	3.824	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1)c1cc2c(s1)CCC2	747745815	BBNSOWUPFOSUSC-SVXNPNGKSA-N	314.385	3.805	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCC(C)(C)C[C@H]1C	748243976	FVTBJBBJVSTRKM-GFCCVEGCSA-N	312.417	3.575	50	20	DHGD	
O=C(NN=Cc1nc(Cl)cs1)c1ccc2ccccc2c1	758105640	DFHGFPGDNCZASY-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CCOC(=O)NN=C(CC(F)(F)F)c1ccc(Cl)cc1	763338923	NQPBXKJONDIFAR-UHFFFAOYSA-N	308.687	3.743	50	20	DHGD	
CC[C@@H](C(=O)NNc1c(Cl)cccc1Cl)N(CC)CC	763616122	VAVJUARIYTVAHJ-LBPRGKRZSA-N	318.248	3.557	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@@H]1CCc2ccccc21	768079080	QAMOEIMTJXNOHA-GXTWGEPZSA-N	324.262	3.642	50	20	DHGD	
C[C@H](CBr)CN(Cc1ccccc1F)C1CC1	770646725	RRACYCGYQWQSLB-LLVKDONJSA-N	300.215	3.821	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(C)c(OC)c1)c1ccccc1	773055222	WDHACALYWJFMFU-KRWDZBQOSA-N	310.397	3.648	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc(OC(F)F)cc2)ncn1	773173624	SNYMSMGFSTZSNI-WDZFZDKYSA-N	319.336	3.864	50	20	DHGD	
CC(C)c1cccc(CNC(=O)NNc2cc(Cl)ccn2)c1	773518324	XBENIJIHJNTMNG-UHFFFAOYSA-N	318.808	3.685	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2cnc3ccccc3n2)CC1	774786539	WWGHGXKKMLEASK-HDJSIYSDSA-N	312.417	3.535	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc2cnccc2c1)c1ccccc1	780004263	JUGGDGHYERKOIU-LDADJPATSA-N	313.360	3.805	50	20	DHGD	
C[C@H]1CCC[C@@H](C)CN1C(=O)[C@H](Br)C(C)(C)C	781093171	DMAUIUVMNPUTHJ-WOPDTQHZSA-N	304.272	3.833	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccc2c(c1)-c1ccccc1C2	781358177	BJSGKXQZHVYWCQ-UHFFFAOYSA-N	319.339	3.549	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](c2ccccc2C)C[C@H]1C	790878023	KJONWKBVPNDIME-ZIAGYGMSSA-N	324.515	3.894	50	20	DHGD	
O=C(NN=C[C@@H]1CCCSC1)c1ccc(Cl)cc1Cl	794880888	SVSJKULVXAWJIZ-VIFPVBQESA-N	317.241	3.852	50	20	DHGD	
CCO[C@H](C(=O)NNc1c(C)cccc1CC)c1ccccc1	799759400	OHKSRWIKOVSZQE-SFHVURJKSA-N	312.413	3.778	50	20	DHGD	
CC[C@@H](C)CONC(=O)NNc1c(Cl)cc(F)cc1Cl	813836337	UKWZMGIUIVZPBP-SSDOTTSWSA-N	324.183	3.736	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2cc(C)sc2C)cc1	814998271	BGGJBFDDLMINPF-UHFFFAOYSA-N	317.414	3.919	50	20	DHGD	
CCc1csc(CC(=O)NNc2ccc(C(C)C)cc2)n1	837056610	BNFPVRKTCAQKBE-UHFFFAOYSA-N	303.431	3.515	50	20	DHGD	
CCC(C)(C)OCC(=O)NNc1cccc(Cl)c1Cl	838345340	NEIDMIASVXMQNV-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
Cn1ccnc1CN1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844348753	CWRXOZZLVFGBRX-OAHLLOKOSA-N	323.557	3.796	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1CC=CC1	846378558	DIXUJOIZKKPELD-UHFFFAOYSA-N	304.699	3.768	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc2cc(Br)ccc2o1	853291312	GGCRRAXJUFQDIM-VIFPVBQESA-N	323.190	3.692	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2cc(F)ccc2C)cc1C	855369006	DOQNRQLFAJNVIL-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NC[C@]2(C)C[C@H]2Br)cc1	857401681	MHJVZHSRVIXAJF-PEYYIBSZSA-N	324.262	3.642	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cc(C)ccc2C)cc1	857831416	XWSMREWNMKQHOE-UHFFFAOYSA-N	300.427	3.847	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cccc(C)n3)CCCC2)c1	862524059	TYISIDZHFUVMIS-UHFFFAOYSA-N	309.413	3.654	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1	916315366	OVIGGFNYGLNTMF-UHFFFAOYSA-N	302.374	3.530	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1ccnc1Br	919891434	UXABKIWGHMZRIJ-UHFFFAOYSA-N	305.292	3.667	50	20	DHGD	
BrC[C@@H](CN[C@H](c1ccccn1)C1CC1)C1CC1	932387747	ZKNCCUDEKHVSLM-ZFWWWQNUSA-N	309.251	3.543	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H]1C=CCCC1	1253611561	HHOVDRALOBAXQC-SNVBAGLBSA-N	317.286	3.579	50	20	DHGD	
N#C/C(=C/c1ccoc1C(=O)O)C(=O)c1cc2ccccc2s1	1601046493	VSEKPBYMIDONOA-GHXNOFRVSA-N	323.329	3.982	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1C(=O)O	1776129597	PHYUWESYAWIMIO-NTEUORMPSA-N	317.348	3.644	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776751334	QJVVALUDJQWQSW-WUFUFFIZSA-N	307.296	3.575	50	20	DHGD	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1cccc2ccccc12	17428415	KEALYRDNURHPDW-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccccc1	73070875	VCSVBTUUALMYQW-NSHDSACASA-N	306.818	3.964	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1ccccc1C	78992443	GIMKGRIKXGYRGQ-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cn(C)nc2-c2cccs2)n1	93872897	HHHAZGWEARNOOU-IZZDOVSWSA-N	312.423	3.978	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Cc2cccc(Cl)c2)cc1	129784185	KEECUECQVNPZQP-ZDUSSCGKSA-N	302.805	3.970	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(C#N)cc1)c1ccc2ccccc2c1	155753630	MRXNTFCIZJKDJO-AWEZNQCLSA-N	315.376	3.958	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	171114367	DECSCKFCNQLGCC-DSQDWWTGSA-N	317.348	3.523	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1Cl	175482817	XXCYTAKRDWSSGS-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)c1c[nH]c2ccccc12	176839374	YNGMGOFYBBUZKC-WUXMJOGZSA-N	303.346	3.891	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccccc1Cl)c1c(C)noc1C	179034003	ZZPQHROVJZILAZ-GFCCVEGCSA-N	322.796	3.722	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2C#N)cc1	212071257	GCJAKMLDNRPWPK-ZDLGFXPLSA-N	302.333	3.517	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1	219690735	SXEKSRDMVCPQSG-FMIVXFBMSA-N	318.417	3.553	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2c(C)cc(C)cc2C)c(C)c1	257350767	ACBUOFUCCBLDPY-UHFFFAOYSA-N	323.440	3.791	50	20	DHGD	
COc1ccc(NNC(=O)c2sc(C(C)(C)C)nc2C)cc1	266979383	CNNMDLNTZSPWIN-UHFFFAOYSA-N	319.430	3.515	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1ccc(F)c2ccccc12	491011002	NNJNYOTXYFHIEQ-RVROTUBLSA-N	312.344	3.600	50	20	DHGD	
O=C(/C=C/c1ccsc1)NNc1ccc(C(F)(F)F)cc1	492186112	YZOVPLQMTZDXDA-LZCJLJQNSA-N	312.316	3.923	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1ccccc1OC(F)F	588384640	WQLPFYDTAAEHPP-NTEUORMPSA-N	324.286	3.950	50	20	DHGD	
CCCCCC(=NNC(=O)Cc1cccnc1)c1ccccc1	728785414	GDNGSQMOLUWMGD-UHFFFAOYSA-N	309.413	3.725	50	20	DHGD	
CC(C)(C(=O)NN=C1CCc2c(F)cccc21)c1ccccc1	731152436	HFMCLXDAZULGGR-UHFFFAOYSA-N	310.372	3.570	50	20	DHGD	
CCCCNC(=O)NNC(=O)[C@H](CCC)CC1CCCCC1	733255578	FGPAIJYIKOZCSJ-OAHLLOKOSA-N	311.470	3.504	50	20	DHGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNc2c(C)cc(C)cc2C)C1	735385345	YEAZVDQGGQCXBP-HUUCEWRRSA-N	321.490	3.912	50	20	DHGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)c1nc2ccccc2[nH]1	737444076	NOWQGSDXFWWUQY-XFFZJAGNSA-N	319.755	3.928	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2cccc(C(F)(F)F)c2)o1	743300150	ZVTLANWISMUQBY-SNVBAGLBSA-N	312.291	3.854	50	20	DHGD	
CC[C@H](C)C[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	745889673	HQYVAZHZKRFTAB-IUCAKERBSA-N	303.328	3.555	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2coc3ccccc23)c1	746558468	NGHBWBMUXWUIGT-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1c(F)cccc1F	748175263	DJYQJCUOWXTPQI-UHFFFAOYSA-N	310.369	3.801	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)nc1)c1nc(-c2ccccc2)no1	748999332	RDLODUMATQTCLQ-JYRVWZFOSA-N	308.728	3.849	50	20	DHGD	
O=C(NN=C1CCCc2c(O)cccc21)c1cc2ccccc2o1	749827811	IQRBGSVNAJQEAL-UHFFFAOYSA-N	320.348	3.609	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc2C1	750044993	LFGCTUXWYZBDCV-YBFXNURJSA-N	319.364	3.908	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	752142930	SJFQWGDKDZOSIV-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
CC[C@H](C)C=NNC(=O)COc1ccccc1-c1ccccc1	755508051	ZBHPZNHWWINTHV-HNNXBMFYSA-N	310.397	3.881	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CC(C)(C)c2ccccc2)c1	760137004	MTDIVIXDIVTBKT-UHFFFAOYSA-N	300.377	3.945	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cs2)cc1Cl	760505311	OHKVNILZZICXCC-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
Cn1ccc2c(NC(=O)[C@@H](Br)C(C)(C)C)cccc21	767950953	XGHKNKHFKITYIK-CYBMUJFWSA-N	323.234	3.926	50	20	DHGD	
CN(Cc1nc2ccccc2o1)/C(=C/C#N)c1ccc(F)cc1	770173898	RDJOGEPOOCFGJP-MHWRWJLKSA-N	307.328	3.963	50	20	DHGD	
C[C@@H](CBr)CN(C)CCOc1ccccc1Cl	770644626	LZTNDQYFMHEKPU-NSHDSACASA-N	320.658	3.682	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2c(F)cccc2F)c(C)c1	773491023	BDBXNEQPXYNFQD-UHFFFAOYSA-N	304.340	3.576	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(C(=O)O)c2)c1C	774119772	HREKRKNLPFBUPR-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\C2CC2)cc1C	786673748	LGOMDZKWDUIKNV-SLVCOGOPSA-N	311.381	3.586	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@H]1CCC(F)(F)C1	790424056	CNTOBFGXJJZVEE-VIFPVBQESA-N	324.158	3.807	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Oc1cccc2ccccc12	791096592	FLQUTHWOILRWLJ-GFCCVEGCSA-N	321.467	3.735	50	20	DHGD	
CSSCCNC(=O)Nc1ccccc1CC(F)(F)F	794198060	BPVBHSOJWKVRRS-UHFFFAOYSA-N	324.393	3.924	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CC(C)(C)OC1(C)C	799616781	HRHSEGFSVJOHTK-AWEZNQCLSA-N	319.449	3.530	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc([N+](=O)[O-])c(C)c1	799757300	QIBOSYTUOLFLNE-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
CC(=O)c1cc(NC(=O)NNc2ccccc2Cl)ccc1F	806573308	HVAMNZVWFDNAOC-UHFFFAOYSA-N	321.739	3.830	50	20	DHGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccccc1F	807119148	XKVYJCXPQDELCT-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCCSC1	810464795	IZJMZOFTBYAVFE-MRVPVSSYSA-N	305.230	3.580	50	20	DHGD	
CC1(C)CCc2sc(NC(=O)NNc3ccccc3)nc21	817318870	DUJYRLLNUSEKDJ-UHFFFAOYSA-N	302.403	3.516	50	20	DHGD	
COCC1(C(=O)NNc2c(Cl)cccc2Cl)CCCC1	837474816	LPXIMHHQUWLJHR-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
COc1cc(NCc2ccc(OCCCCl)cc2)ccc1N	841042707	PXNOLHAOHSVSBT-UHFFFAOYSA-N	320.820	3.897	50	20	DHGD	
C[C@@H](Cc1ccccn1)NC(=O)CCCC[C@H]1CCSS1	848311848	RPENQGRQPGIESK-ZFWWWQNUSA-N	324.515	3.843	50	20	DHGD	
CO[C@@H](C=NNC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	853311571	UTPQBGRVWAROAA-SFHVURJKSA-N	323.396	3.886	50	20	DHGD	
CC(C)c1ccc2cc(C(=O)NCCCSC#N)[nH]c2c1	854362823	CEWNUDYTGQHCFD-UHFFFAOYSA-N	301.415	3.625	50	20	DHGD	
N#CSCCCNC(=O)CCCc1ccc2c(c1)CCCC2	854364057	YXUXFIDLQZNKLM-UHFFFAOYSA-N	316.470	3.609	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NC[C@@]1(C)C[C@H]1Br	857395688	ZAWFPZXJBYHQQY-DGCLKSJQSA-N	316.626	3.552	50	20	DHGD	
O=C(CCC1CCCCCC1)NNCC(F)(F)C(F)(F)F	863102635	QLPPZEYIMNSWRP-UHFFFAOYSA-N	316.314	3.555	50	20	DHGD	
Cc1cc(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)on1	891545082	INHDKJIGPBTPDS-ZDUSSCGKSA-N	324.497	3.609	50	20	DHGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)NCCc1ccccc1	915844224	JRLTUVSTTWPKAB-YCJXTATNSA-N	316.404	3.899	50	20	DHGD	
COc1cccc(NCC(=O)NN=C(CC(C)C)CC(C)C)c1	916359591	FRXHRFJMXAVYRU-UHFFFAOYSA-N	319.449	3.672	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(F)F)c1C	1121202669	SLXCNFPPDFDNCL-XNTDXEJSSA-N	323.387	3.583	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)c1	1323478208	BAZGZEXUTUOCAG-WQRHYEAKSA-N	319.360	3.880	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1nc2ccccc2[nH]1	1337001282	RNEMRLJEZPHOPY-UHFFFAOYSA-N	320.352	3.628	50	20	DHGD	
COC(=O)N(C)c1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1519018658	DKYZMLJUACUYHI-UHFFFAOYSA-N	324.808	3.625	50	20	DHGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045231	HAJXUVGFTHXGNY-QWHCGFSZSA-N	317.389	3.709	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC(C(C)(C)C)CC2)cs1	8342377	VCFPIFZGRHVGHV-UHFFFAOYSA-N	307.463	3.703	50	20	DHGD	
CCC[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	89472770	GLVIWUHXZJOYTN-UONOGXRCSA-N	317.520	3.728	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1CCCc2sccc21	120165428	WEMAJBWNCOWZLB-ZDUSSCGKSA-N	306.818	3.965	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc2c(c1)OCCO2	128121746	CZXSTUSJTLNTPA-MDWZMJQESA-N	311.362	3.618	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1CCCCCC1	132617070	KREREMJSIALPQN-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2OCC2CC2)c1	150770191	PNZMSDRUQMJRLR-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2ccc(C(C)(C)C)nn2)c1	152893265	XNSBJUOHQIJMCJ-UHFFFAOYSA-N	313.405	3.540	50	20	DHGD	
O=C(Cn1ccc2ccc(Cl)cc21)NNc1ccccc1F	153141329	CCFSCDNVRNYQFJ-UHFFFAOYSA-N	317.751	3.577	50	20	DHGD	
CS[C@H]1CCC[C@@H](NC(=O)NNc2ccccc2Cl)C1	172341035	QXBYLZMAXCHXSH-MNOVXSKESA-N	313.854	3.640	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2SCCc3sccc32)c1	175231446	OSOOVRIJJBHDPF-AWEZNQCLSA-N	304.440	3.530	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1cc(F)c(F)c(F)c1	175511675	DHRHUIKUXAOUNF-SECBINFHSA-N	300.324	3.763	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2c(C)cccc2F)cc1	184360939	SHSFQTQZXUBQJV-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@@H]1C[C@@H]1c1cccc(Cl)c1	194875113	WNYMABSNTNDIPE-HUUCEWRRSA-N	304.752	3.726	50	20	DHGD	
O=C(/C=C\c1ccco1)NNc1c(Cl)cc(F)cc1Cl	255162487	VBOJEFHDXJAZGU-ARJAWSKDSA-N	315.131	3.882	50	20	DHGD	
C[C@H](c1ccccc1)N(C1CC1)S(=O)(=O)CCCCCl	285352287	PSNKFUXTJKQFMQ-CYBMUJFWSA-N	315.866	3.561	50	20	DHGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)C(C)(C)F)ccc1OC	295991227	RTIVTYGVYMGMEW-RIYZIHGNSA-N	317.360	3.874	50	20	DHGD	
Cn1ccnc1[C@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1	367378075	OKWMNUPSZFRXCJ-HNNXBMFYSA-N	323.557	3.621	50	20	DHGD	
Cc1cc(Cl)ncc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	490843621	OPOMIFDSCRRCFF-KPKJPENVSA-N	315.735	3.728	50	20	DHGD	
Cc1cc(OC(=O)c2ccccc2OC(C)C)ccc1[N+](=O)[O-]	729945033	FBTIJQVXVNXZQY-UHFFFAOYSA-N	315.325	3.910	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)C(C)(C)c1ccccc1	731152480	JZKHKZKHEBDFOI-UHFFFAOYSA-N	324.424	3.902	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)cc1F	731486670	SWWUKTSNRKEZGN-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	734094760	UUHQEXZMNUUBGG-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
CCc1ccc(C(=O)NN=C2C[C@@H](OCC(C)C)C2(C)C)cc1	737425634	YMBSVCHGNCHPHW-QGZVFWFLSA-N	316.445	3.806	50	20	DHGD	
CCC(CC)(C(=O)NNC(=O)c1ccccc1C)c1ccccc1	743747443	QSFPYFWLXXDBHW-UHFFFAOYSA-N	324.424	3.514	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(Cl)c(Cl)c1	743815010	QRNQHFRCUURWSZ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC[C@H](C)Oc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC	749442607	BBKJCQAWYQTQLI-LBPRGKRZSA-N	322.405	3.731	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	751169715	WHIZFAZDYVMSJS-DOMZBBRYSA-N	319.357	3.747	50	20	DHGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)C1CCCC1	751526579	LMWIHCUBXSLGSV-UHFFFAOYSA-N	305.428	3.512	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@H](C)C1CC1	753169389	IVQLBPPMVMZHOZ-SECBINFHSA-N	311.223	3.501	50	20	DHGD	
CCC(=CC(=O)NNC(=S)Nc1ccccc1C(C)C)CC	759489788	IXCDCFWFXBQNRQ-UHFFFAOYSA-N	319.474	3.874	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761394993	XZDIOXZFGHJNCM-TWGQIWQCSA-N	300.116	3.769	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC(c2nc3ccccc3[nH]2)C1	766942542	YRPFGBAWDYQJPM-VCHYOVAHSA-N	300.365	3.527	50	20	DHGD	
C#CCC(C)(C)C(=O)NNc1ccc(Br)cc1CC	768447493	JKVZMTFCKPLAGD-UHFFFAOYSA-N	323.234	3.504	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)C[C@@H]1CCCCC1(C)C	772892095	ZYCUSQIJBJPYDQ-ZDUSSCGKSA-N	304.438	3.650	50	20	DHGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1ccc(Cl)cc1Cl	773456688	YIKRTCAFEOACGP-SECBINFHSA-N	318.248	3.603	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc2cnccc2c1	782203351	POYCOLIPPUIPRC-UHFFFAOYSA-N	304.353	3.699	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788332697	UCWDNGGEPKIBOW-NTUHNPAUSA-N	307.378	3.733	50	20	DHGD	
COc1cc(NNC(=O)/C=C/c2cccs2)ccc1Cl	790166418	ZMYNGYKXOGKTBH-FNORWQNLSA-N	308.790	3.567	50	20	DHGD	
COc1cc(NNC(=O)[C@H](C)c2cccc(C)c2)ccc1Cl	790177060	XTMILCCIJFDNMK-GFCCVEGCSA-N	318.804	3.904	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnc(O)c2ccccc12	799758614	SORLOEIAKWAMLR-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNC(=O)CC(C)(C)C)c1	803181847	MSORRHGLLLAMRS-CQSZACIVSA-N	318.461	3.572	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1cnc2ccccc2n1	804560107	RVDFMBHLTZMODY-UHFFFAOYSA-N	300.406	3.679	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)(F)F)[nH]1)c1cc2ccccc2o1	807974984	BDQDQDUGRXWSRA-UHFFFAOYSA-N	321.258	3.544	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)c2cccs2)c1	814991729	VYPFNEGIRRDVMS-UHFFFAOYSA-N	323.805	3.956	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]nc1C(C)(C)C	816782080	JJRRXLGQMVRNAQ-UHFFFAOYSA-N	314.433	3.896	50	20	DHGD	
N#CC1(CC(=O)NNc2c(F)cccc2Cl)CCCCC1	832356924	MJQSMQMSWQBAPX-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)F)c(C)n1Cc1ccco1	840736554	YJJWVYRIQLBJLL-OQLLNIDSSA-N	314.360	3.970	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(Cl)nc1	851978923	UPIIDNDOFILZTH-MKPLZMMCSA-N	303.631	3.559	50	20	DHGD	
CC(C)c1ccc(/C=C/CC(=O)NCCCSC#N)cc1	854360836	CONGXTZXMSBNRS-HWKANZROSA-N	302.443	3.934	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccnc(Cl)c3)csc2C1	855469717	OZKIDOKOMCTTIT-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CC(C)[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(F)cn1	857081086	CCGMKQPGASGRTI-IHRRRGAJSA-N	315.230	3.681	50	20	DHGD	
Cc1cccc(NNC(=O)C2(Cc3ccccc3Cl)CC2)n1	862521116	IWGUABWSXZTCBQ-UHFFFAOYSA-N	315.804	3.509	50	20	DHGD	
O=C(COc1cccc(Cl)c1)NNc1ccc(Cl)cc1	865994554	NTJRZRNLTBLVGO-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)c1ccccc1	916137172	KSDLORZYUCKKTI-JLHYYAGUSA-N	307.740	3.778	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)c1ccc(C)cc1O	920375161	PSZVTKLNWFBHNY-UHFFFAOYSA-N	310.397	3.748	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC2(C(F)(F)F)CC2)cc1	1262323248	DFBOXWRUXSZZMT-UHFFFAOYSA-N	301.312	3.531	50	20	DHGD	
Cc1ccc(NNC(=O)Cn2ccc3ccccc32)cc1Cl	1321856231	PURCJNHWHFTCBJ-UHFFFAOYSA-N	313.788	3.746	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccn(C2CCCCC2)n1	1322080194	NKUUYIZEIFBJOV-UHFFFAOYSA-N	317.368	3.676	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)cc1)[C@H]1C[C@@H]1C	1325298730	PLHYWOCPXMGPBA-CABZTGNLSA-N	309.207	3.601	50	20	DHGD	
CC(C)n1nc2c(c1NC(=O)C1CCC(Cl)CC1)CCC2	1548688279	YOZZNFPEAPMBHP-UHFFFAOYSA-N	309.841	3.689	50	20	DHGD	
CC(C)C[C@H]1CCCC(=NNC(=O)c2ccc(C(=O)O)cc2)C1	1776100666	UIOUJFGGFCRGTP-CYBMUJFWSA-N	316.401	3.707	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)nc2)cc1	1776127639	ZEPGNLMWKZMDDS-MHWRWJLKSA-N	320.348	3.522	50	20	DHGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)NCCc2ccccc2)c1	6904055	MNQZLAJVVUFDFI-CPNJWEJPSA-N	304.393	3.569	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)NC2CCCCC2)c1	16410671	SFLLIFQVZFRJHJ-FOWTUZBSSA-N	310.397	3.607	50	20	DHGD	
N#C/C(=C\c1cccc(OC2CCCC2)c1)C(=O)N1CCCC1	54802003	SQNDCPCPOGWWSD-FOWTUZBSSA-N	310.397	3.537	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cn(C)nc2-c2ccccc2)n1	92844231	BRZIGBMFWGPNLN-RIYZIHGNSA-N	306.394	3.916	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cc(C#N)cc(Cl)n1	93546866	PMXPUFZUTFQUSU-NSHDSACASA-N	320.824	3.656	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(-c3ccc(F)cc3)n2C)c1	109427202	MNHMIADXACFJEC-UHFFFAOYSA-N	323.371	3.897	50	20	DHGD	
Cc1[nH]c2c(C(=O)NNc3ccc(F)cc3F)cccc2c1C	113431480	NVLQYBNMMCZUQQ-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
Cc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)nc1	122180614	YCWCTSGFQFSQCB-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCOc1ccc2cc(C(=O)NNc3cc(C)cc(C)c3)[nH]c2c1	132492617	MEJADDHGRMHNRQ-UHFFFAOYSA-N	323.396	3.940	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1ccc(OCC(F)(F)F)cc1	135004639	TXIBDSFFYYUXSG-UHFFFAOYSA-N	318.339	3.897	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCOC1CCCC1	194307270	WWJGSJOCUJLDSM-CQSZACIVSA-N	317.520	3.776	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1cccc2ccccc12	263604954	PDEYSGRGORJWTH-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)no1	295750845	AJNVWRFZYOCNJP-UHFFFAOYSA-N	301.390	3.682	50	20	DHGD	
O=C(NCc1cccc(Cl)c1Cl)NNc1ccccc1	734272496	LCTPEESTZLKQSY-UHFFFAOYSA-N	310.184	3.820	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cc2c(s1)CCC2	737425622	YIMKFZOELCIEEM-LBPRGKRZSA-N	302.443	3.923	50	20	DHGD	
O=C(COCc1ccccc1)NN=C(CC1CC1)c1ccccc1	737438769	HTJGYSACQAJNEI-UHFFFAOYSA-N	322.408	3.524	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1ccc(O)c(Cl)c1	748251723	NUZLBWAKJUEITB-JTQLQIEISA-N	308.809	3.978	50	20	DHGD	
COc1ccccc1C/C(C)=C/C(=O)NNc1cc(C)ccc1C	748429739	TVYUULHTWGHWMG-FYWRMAATSA-N	324.424	3.944	50	20	DHGD	
CCc1ccc(CC(=O)NNc2cccc3c2CCCC3)cc1	748589242	VNJQIUPLLFIWLE-UHFFFAOYSA-N	308.425	3.814	50	20	DHGD	
COCCC(C)(C)NC(=O)CCCC[C@H]1CCSS1	752448391	KBZQLNLWLRIOMO-LBPRGKRZSA-N	305.509	3.632	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1cc(C#N)cc(Cl)n1	752735474	XGOXLPCLWLYKFX-NSHDSACASA-N	308.813	3.656	50	20	DHGD	
C[C@@H](c1cccc(Cl)c1)N(C)CCI	759338899	QTWBGEOYCNUCNU-VIFPVBQESA-N	323.605	3.768	50	20	DHGD	
CC(C)CC(=NNC(=O)CCc1ccccc1)c1ccccn1	760253761	JTWFZGQJJXWZIE-UHFFFAOYSA-N	309.413	3.581	50	20	DHGD	
CCC(CC)N(C(=O)[C@@H](Br)C(C)(C)C)C1CC1	767935456	UUWODJSVANIFQR-GFCCVEGCSA-N	304.272	3.976	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc(-c2ccccc2)no1	770344451	LFXFVKGWERATSM-SNVBAGLBSA-N	324.174	3.529	50	20	DHGD	
CCc1ccccc1CNC(=O)NNc1c(C)cccc1F	771328579	UZQNUJJDSSEUNT-UHFFFAOYSA-N	301.365	3.523	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)Cc1ccc(F)cc1	771700070	DCZDBBYTQUBDEQ-GFCCVEGCSA-N	304.340	3.595	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1C#N	772177669	YOHGDBVUZTYAFY-WCSRMQSCSA-N	308.287	3.935	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(Cl)c(Br)c1	776185943	QTZLZKIJMANUBN-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H]2CC(C)(C)OC2(C)C)c(C)c1	779379424	CTCBIOTUHSEWQY-AWEZNQCLSA-N	319.449	3.584	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C[C@@H]1CCCC[C@@H]1C	783813144	IJEKMMZKJPQSRY-IHRRRGAJSA-N	306.381	3.521	50	20	DHGD	
CCCc1cccc(C(C)C)c1NC(=O)NNC(=O)CC1CC1	788311934	QMBZEHJOBUAVKG-UHFFFAOYSA-N	317.433	3.715	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1c(F)cccc1OC(F)(F)F	789129904	YVFIDYGJSKQNHZ-RMKNXTFCSA-N	301.239	3.856	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1cccc([N+](=O)[O-])c1	790806595	IIUBFCLSVHYCJX-UHFFFAOYSA-N	313.357	3.550	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-c2ccccc2)nc1C	791221430	VDLUEFSVBBUYKY-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
CCc1noc(C)c1C(=O)NNc1cc(Cl)cc(Cl)c1	791732709	FWIUJGFRQIWDDH-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	795165423	MNOFUJAVAFHTOD-GDBMZVCRSA-N	324.428	3.803	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)N(C)CC(Cl)Cl	808246678	ILRKBOWPNHVURH-ZDUSSCGKSA-N	302.245	3.763	50	20	DHGD	
CC(Cc1ccc(O)cc1)=NNC(=O)c1ccc2ccccc2c1	814810371	JRGRQUDDTMGQPK-UHFFFAOYSA-N	318.376	3.894	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2ccccc2)o1	817007268	SYKQSFXQFIPBDB-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
NCc1cccc(NC(=O)CCCC[C@H]2CCSS2)c1	832223802	WEBCSHUKFUHRBC-AWEZNQCLSA-N	310.488	3.798	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(C(F)(F)F)ccn1)C(C)(C)C	832963028	QAJADFRHLYXLLY-CLFYSBASSA-N	301.312	3.536	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CS[C@@H](C)C1	840413172	DIRWWZJXASBSAL-STQMWFEESA-N	307.463	3.639	50	20	DHGD	
COCC1CCC(NC(=O)NNc2ccc(C(C)C)cc2)CC1	840442515	FTOCAGXQCHVKEM-UHFFFAOYSA-N	319.449	3.641	50	20	DHGD	
CCc1cnc(O)c(C(=O)NNc2c(C)cccc2C(C)C)c1	854579688	ROMGEZMMGQRBDW-UHFFFAOYSA-N	313.401	3.538	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1c(F)ccc(F)c1Cl	863086379	IEOGIFMWBHPRKC-UHFFFAOYSA-N	300.736	3.649	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cc(Cl)ccc1OC(F)F	915936525	PXXCPTSSIUXDBR-UHFFFAOYSA-N	320.723	3.800	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1c[nH]c2ccccc12	916287459	FVOFEQWPXYNTCT-UHFFFAOYSA-N	305.381	3.906	50	20	DHGD	
C[C@H]1C[C@H]1CNC(=O)NN(Cc1ccccc1)c1ccccc1	916639871	RSKHBQDXBGFDDO-RDJZCZTQSA-N	309.413	3.563	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(COc2ccccc2)c1	917606387	OIYNQCOUICRKIZ-SSZFMOIBSA-N	322.364	3.648	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1F	1116373688	NDHMQIJYCVSQGC-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnc2c(C)cccn12	1323134714	BGAJBRXHLIZADR-XNTDXEJSSA-N	301.349	3.741	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C)c(C)o1	1337488000	NXSFLJYACYOENW-BXKDBHETSA-N	316.239	3.883	50	20	DHGD	
Cc1cccc2oc(CCNC(=O)C3CCC(Cl)CC3)nc12	1351994961	LVQNCFOWTOWSRR-UHFFFAOYSA-N	320.820	3.593	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3cccc(Cl)c3)c[nH]c2c1	101854280	YJLDNPGVOXPZHF-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1[N+](=O)[O-]	106586743	UOMDBROSARGLNP-GHXNOFRVSA-N	302.330	3.516	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	119031049	UKJZQTOTQDQPPL-LSDHHAIUSA-N	302.324	3.520	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1sccc1OC(F)F	120350390	QZWXRBQDISDYGG-UHFFFAOYSA-N	318.732	3.760	50	20	DHGD	
Cc1cc(C(=O)NNc2ccnc3ccccc23)ccc1Cl	133503887	HTQMIGRYMWRLDD-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
O=C(CCc1ccc(F)cc1F)NNc1ccccc1Cl	152847007	WAARWQIAXCOKDG-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc2c(s1)CCCCC2	154995746	RDBSYZPBZJMPBC-UHFFFAOYSA-N	304.390	3.913	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccc(C#N)cc3)csc2C1	155184840	DHOINTGKBLPEKK-NSHDSACASA-N	311.410	3.501	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cc(F)c(F)cc1F	159742739	IHWQJBMPSQQMQZ-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cccc2c(C)c(C)[nH]c12	184365649	NWFLCMKCAXJNCB-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
Cc1cnccc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	188297139	UUROZGIIAHIUHV-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	254993900	QWQQKVLNMODBNA-UITAMQMPSA-N	303.667	3.829	50	20	DHGD	
Cc1ccc([C@H]2CC[C@@H](CI)OC2)cc1	536956769	BOLZPBOPPAYIFL-STQMWFEESA-N	316.182	3.693	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)Cn1ccc2ccccc21	729638252	WXVLZGSNWICHGZ-UHFFFAOYSA-N	317.458	3.665	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)Cc2ccccc2F)cc1	731316848	LPMNSVQNYPQAPQ-UHFFFAOYSA-N	316.401	3.631	50	20	DHGD	
Cc1cc(OC(=O)C2(c3cccc(F)c3)CC2)ccc1[N+](=O)[O-]	734314997	SFDZKLOYGRRRIU-UHFFFAOYSA-N	315.300	3.680	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1cc(F)c(F)cc1F	734552049	JONXHTOFRWAWRU-ZJUUUORDSA-N	300.324	3.763	50	20	DHGD	
CCc1ccc(CC(=O)NNc2nccc3sccc23)cc1	743415656	CEWWFTOICBCUNE-UHFFFAOYSA-N	311.410	3.545	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)CCc2ccccc2)C1	743438520	OKBHRVNZWPRVSL-UHFFFAOYSA-N	306.409	3.977	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccco3)s2)c1	748045769	TTYHMQVZVOFSMU-UHFFFAOYSA-N	309.350	3.637	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1cccc(F)c1	748731675	NPEACVBTZSUAOT-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CC2CCC(C)(C)CC2)c1	752148837	ZPBXBMJEDFPQAG-UHFFFAOYSA-N	308.397	3.884	50	20	DHGD	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc2n[nH]cc12	752721514	SNCCAJQCLZPOJE-QPEQYQDCSA-N	320.327	3.556	50	20	DHGD	
CCC[C@H](C)NC(=O)NNc1cc(C(F)(F)F)ccc1F	754525020	JALANCVOKDXHOM-QMMMGPOBSA-N	307.291	3.659	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc(F)c(Cl)c1	755685716	WFYAAKGHVCMXCY-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)CSc2ccc(Cl)cc2)[nH]1	760226729	MVINHYUTCFCLAL-UHFFFAOYSA-N	321.833	3.527	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C(C)(C)C2CCCCC2)c1	767093214	JGNHNVUNZGPJLK-UHFFFAOYSA-N	308.397	3.884	50	20	DHGD	
CC[C@@H](NC[C@H](C)CBr)c1ccccc1OC	770668270	XVCPWYNFTCLPEB-DGCLKSJQSA-N	300.240	3.767	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cc(F)c(F)cc2F)cc1C	778233067	IWIDCMPUPTXYCR-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	779208777	HTCNHXLCCHLTAZ-GHMZBOCLSA-N	316.323	3.855	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3nccnc3c2)cc1	780804012	XPMQXFPDXSIYHQ-UHFFFAOYSA-N	320.396	3.684	50	20	DHGD	
CCOc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc1	781066798	LKZUSVCOEQWCDX-GFCCVEGCSA-N	314.223	3.833	50	20	DHGD	
O=C(CCc1ccccc1)NN=C1CC(c2cccc(F)c2)C1	781591944	VBHRLRZZCIBYBX-UHFFFAOYSA-N	310.372	3.808	50	20	DHGD	
CN(NC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1)c1ccccc1	787865842	WZQRMLGKCJUTBL-VXGBXAGGSA-N	306.818	3.673	50	20	DHGD	
C=C(CBr)CN(C)CCOc1cccc(Cl)c1	791442426	OLHYUZWCEQTBHJ-UHFFFAOYSA-N	318.642	3.602	50	20	DHGD	
CCCN(N=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C	794996188	ASFVWWBNEQFFEN-UHFFFAOYSA-N	307.350	3.576	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1c(C)nc2ccccn12	797400015	KJIPVBHXCLJARR-GXTWGEPZSA-N	312.417	3.575	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1)C(F)F	799485509	UIZMGLWXKBJHKH-SECBINFHSA-N	320.261	3.710	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1	802021464	PECYJHNBPCSREB-NSHDSACASA-N	311.813	3.565	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)CSc1nc(C)cc(C)n1	807945998	KMIJXYOTXWMVQR-LLVKDONJSA-N	322.478	3.504	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	807958401	WRYHHEKFVUAHNE-CYBMUJFWSA-N	317.433	3.560	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc3[nH]ccc3c2)cc1	811634480	PXWSPDIPRVCGRT-UHFFFAOYSA-N	323.421	3.719	50	20	DHGD	
O=C(CCCC1CC1)NNc1ccc(OCC(F)(F)F)cc1	812538093	JMYRMSDLYKGACI-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cc2c(cn1)CCCC2	813012401	KBZQBQQAMRZRQR-UHFFFAOYSA-N	316.792	3.762	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNc2cccc(Cl)n2)c1	814297737	LJYHWOJSEULWSF-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
C=CCC1(C(=O)NNc2nccc3sccc23)CCCC1	825855144	RSXMJLMUPHFIIY-UHFFFAOYSA-N	301.415	3.876	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC=CCC1	827516406	VEUQGTWDSFWBIJ-CQSZACIVSA-N	314.307	3.775	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c(Cl)c1	836937837	OKYXETUQTIXLDN-XJKSGUPXSA-N	324.852	3.933	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(F)cc(C)cc1Cl	840718202	AKJSCNJTTVKUJX-FLIBITNWSA-N	315.797	3.867	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1cccc(C(=O)O)c1	853425495	GGFPITHUQQGRGS-GFCCVEGCSA-N	304.390	3.563	50	20	DHGD	
COc1ccccc1C=NNC(=O)c1ccc2ccccc2c1	864009749	SUAHFEUIQGIKKI-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)cc1F)c1cccnc1	885107127	TUFDBMSEYBPKFU-HNNXBMFYSA-N	321.783	3.757	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1ccc(F)cc1Cl	885137282	RRLHWXIKWLUIGS-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
Cc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1C	915942153	JJTZORCZEONJPD-UHFFFAOYSA-N	310.441	3.970	50	20	DHGD	
Cc1nc(CC(=O)NN=C(CC(C)C)c2ccccc2)cs1	916320376	RTRNTBPAVWLOAU-UHFFFAOYSA-N	315.442	3.561	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cc(C)nc2ccccc12	917032675	OKVPWTCYBXJXEG-UHFFFAOYSA-N	321.380	3.875	50	20	DHGD	
Cc1cc(NNC(=O)N[C@@H](C)c2c(C)noc2C)ccc1Cl	918649541	BITGONDINJUIEV-VIFPVBQESA-N	322.796	3.641	50	20	DHGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)[C@@H](c1ccccc1)N(C)C	1123691298	IUGJMPQOCQDXRJ-MFNRNEDNSA-N	322.880	3.592	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)OC2CCCCC2)cc1Cl	1318826337	MVZGYGZLKJWXPM-LBPRGKRZSA-N	310.825	3.829	50	20	DHGD	
O=C(N[C@H](CCCO)c1ccccc1)c1cccc(CCl)c1	1335854008	CAWCJTUHTJQJGR-QGZVFWFLSA-N	317.816	3.669	50	20	DHGD	
O=C(O)c1ccc(NC(=O)C2CCC(Cl)CC2)cc1Cl	1602375176	WBAQVIJBAYARGX-UHFFFAOYSA-N	316.184	3.774	50	20	DHGD	
Cc1cccc(Oc2ccc(NC(=O)[C@H](F)Cl)cn2)c1C	2088605587	GVEAOFFKSHEIJR-AWEZNQCLSA-N	308.740	3.964	50	20	DHGD	
O=C(CCCC1CCCCC1)NNC(=O)c1ccc(Cl)cc1	6430827	JBDBAMSKGYNPKW-UHFFFAOYSA-N	322.836	3.852	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)c1C	63276276	VEPWJZGFLYJSQH-ZROIWOOFSA-N	322.412	3.870	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1c[nH]c2cccc(C)c12	118958629	OVEFMAWZNGVPLF-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
Cc1occc1C(=O)NNc1c(Cl)cc(F)cc1Cl	124249619	BMIUXQPPOKYMOH-UHFFFAOYSA-N	303.120	3.791	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1	125455954	WAIBJCYQELCEDP-UHFFFAOYSA-N	319.748	3.568	50	20	DHGD	
CSc1cc(C)ccc1CNC(=O)NNc1ccccc1	129613473	UARVJVRDRUNSLG-UHFFFAOYSA-N	301.415	3.543	50	20	DHGD	
CCc1ccsc1C(=O)NNc1ncc(Cl)cc1Cl	133150371	NBHZGECFUZEQNQ-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)c1ccc2c(c1)OCO2	141587612	JUVIRDHHCNKASU-LFYBBSHMSA-N	324.361	3.539	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccc(OC(F)F)cc2)cc1	152840459	SIWNBPSQTSXWQT-UHFFFAOYSA-N	321.327	3.999	50	20	DHGD	
O=C(Cc1cc(Cl)ccc1Cl)NNc1cccc(F)c1	154815873	NYLPFRKQROWLEY-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1cc(C)ccc1C	158918295	PHGKHDYTEMJDOL-OAHLLOKOSA-N	312.413	3.949	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ccsc3)nc2C)c1	176774537	ITFIHKISPXYVJM-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1	176999151	KEILXSZILQVHKE-WCSRMQSCSA-N	311.366	3.579	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccncc2)cc1	179513141	JSWRJJVOHHQDHJ-DTQAZKPQSA-N	321.380	3.806	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ccccc1	181268292	FRBYDWQNOXANKM-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
Cc1ccc(C)c2c1CC/C(=C/c1cnn(CCCl)c1)C2=O	184764033	SXWAMZGATRWELS-DHDCSXOGSA-N	314.816	3.951	50	20	DHGD	
CN(NC(=O)CCCc1c[nH]c2ccccc12)c1ccccc1	198155982	RMNNUSCTKCCYIO-UHFFFAOYSA-N	307.397	3.658	50	20	DHGD	
COCc1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	272635472	WGBPIOHGHJTTTA-GFCCVEGCSA-N	314.223	3.581	50	20	DHGD	
C[C@@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC=C(C#N)CC1	272691396	QJIGKAXJISFPMB-LBPRGKRZSA-N	322.330	3.566	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1c(F)cccc1F	293364802	LTYDJERIXOJYNA-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
O=C(Nc1cccnc1N1CCCC1)c1cccc(CCl)c1	315393576	FOLDINRMWBFIGL-UHFFFAOYSA-N	315.804	3.673	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccccc1OCc1ccccc1	495612841	ODQIXWONKIPAFQ-UHFFFAOYSA-N	312.369	3.688	50	20	DHGD	
Cn1cc(C(=O)/C=C\c2cnn(CCCl)c2)c2ccccc21	728697339	ODZPNOPGSKJZEG-SREVYHEPSA-N	313.788	3.510	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=S)Nc1cccc(C)c1	743820137	NTYBOOPDOKNAIJ-AWEZNQCLSA-N	321.490	3.919	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)CCOc1ccccc1	747052121	VZBNEERUMXWBBN-UHFFFAOYSA-N	310.397	3.580	50	20	DHGD	
CCc1c(C(=O)NNc2cc(C)ccc2C)cnn1C(C)(C)C	748415304	JXVHWMWTJNFXLN-UHFFFAOYSA-N	314.433	3.574	50	20	DHGD	
O=C(NN=Cc1nc(-c2ccccc2)cs1)c1ccccc1	755465651	MYUNVIKQPDVQAZ-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
COCCCC(C)=NNC(=O)c1cc2c(s1)CCCCC2	759197914	XRZHRKUEWZJSLG-UHFFFAOYSA-N	308.447	3.549	50	20	DHGD	
COc1ccc(OCCN(C)/C(=C\C#N)c2ccccc2)cc1	764158647	HYWBEWZZFLNRML-UNOMPAQXSA-N	308.381	3.570	50	20	DHGD	
CC(C)O[C@H]1CC(=NNC(=O)c2cc3ccccc3o2)C1(C)C	764909842	YEPPYAAQWPYVKN-INIZCTEOSA-N	314.385	3.742	50	20	DHGD	
COc1cc(/C(C#N)=C/c2cccc(C#N)c2)ccc1[N+](=O)[O-]	766780198	VPVRPRIHJCQGPR-OVCLIPMQSA-N	305.293	3.539	50	20	DHGD	
Cc1nc2ccc(NC(=O)NNc3ccc(F)cc3)cc2s1	769927483	WXVNOVAXZDGLHS-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
CSc1cc(C(=O)OC[C@@H](C)CBr)ccc1F	770407924	QKRFZQPGAQGZRT-QMMMGPOBSA-N	321.211	3.735	50	20	DHGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)c1cc(F)cc(F)c1	773172323	QINWPJGPYADVIZ-FPYGCLRLSA-N	310.712	3.865	50	20	DHGD	
CC(C)C(=O)NN=CCCOc1ccc(Cl)c(Cl)c1	777422405	DDHJBNZNZPZLDQ-UHFFFAOYSA-N	303.189	3.520	50	20	DHGD	
CC(C)[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	778494157	QITUZDXXQZFFIM-UONOGXRCSA-N	317.520	3.584	50	20	DHGD	
Cc1ccc(F)cc1NC(=O)[C@@H](Br)C(C)(C)C	781066847	OZJKMOKBFQRTSV-LLVKDONJSA-N	302.187	3.882	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CCSC1	790581173	QVSNQLOPLMNAHA-NEPJUHHUSA-N	305.534	3.570	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCCCC12CCCC2	794659383	SJPYQODZDMDEFS-QCUIPMNBSA-N	324.424	3.918	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1	797325940	CEGGODXTWNSFLF-XNTDXEJSSA-N	315.373	3.507	50	20	DHGD	
Cc1cc[nH]c1C(=O)NNc1c(Cl)cc(F)cc1Cl	797966822	RESFNPMSYIXVNR-UHFFFAOYSA-N	302.136	3.526	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1cccc2cc[nH]c12	799628655	HJWZQDFPWAQISA-UHFFFAOYSA-N	322.412	3.865	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C(=O)c1ccc(Cl)cc1	799759020	GFQLUNGHUYAVLZ-UHFFFAOYSA-N	316.788	3.537	50	20	DHGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC(Cl)Cl	808131670	RIFQXIDPCHGEKB-JTQLQIEISA-N	318.244	3.671	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(C3CCCC3)cc2)c1	810679496	TWUSENRYFGNQSU-UHFFFAOYSA-N	305.381	3.973	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2ccccc2s1	817010156	OMMVFZJECMNKLB-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCC(=O)NN=Cc1cnn(C2CCCC2)c1-c1ccccc1	817322384	VPFLRYZOXSCZSH-UHFFFAOYSA-N	310.401	3.525	50	20	DHGD	
COCc1csc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	831900287	SEZRXVNCIPQULX-UHFFFAOYSA-N	318.442	3.949	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccnn2C2CCCC2)cc1	837052920	NEVJQWQJCSETBH-UHFFFAOYSA-N	312.417	3.879	50	20	DHGD	
CCC1(CNC(=O)NNc2ccc(C(C)C)cc2)CCOCC1	838500876	AKLCESCILXDYSI-UHFFFAOYSA-N	319.449	3.643	50	20	DHGD	
CC(C)c1ccccc1C=NNC(=O)CCc1ccccc1O	848405432	KTHXQDOFNSWWFT-UHFFFAOYSA-N	310.397	3.599	50	20	DHGD	
CC(C)N(Cc1ccccn1)C[C@H](CBr)C1CC1	859080474	LEJCCEKHIJPUHS-AWEZNQCLSA-N	311.267	3.713	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NN[C@H](C)C(F)(F)F	862318347	SBHDYJQMHGOXGO-UTUOFQBUSA-N	314.351	3.548	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(Cl)cc2F)c1C	885110062	NLXMOFJWFZZKIF-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2cc(Cl)ccc2C)C1	885126951	JIKCRIXYLKHXSI-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
CC(C)Cc1ncc(C(=O)NNc2ccc(Cl)cc2)s1	896970913	WODSKASEWJTTLV-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
CC[C@@H](C#N)C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	897967986	CFTPKXNHEPJJGJ-UONOGXRCSA-N	310.514	3.549	50	20	DHGD	
CCCCCCCCCNC(=O)NNC(=O)c1ccccc1F	916194365	WKXIXZCXXNVWNN-UHFFFAOYSA-N	323.412	3.520	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1	917213714	UMPAPNMVCIZMHZ-UHFFFAOYSA-N	319.748	3.568	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)c(C)c2)C1	928339481	FJWOLZXYZQXBRT-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@H](c2ccccc2)C(C)C)cc1	1321099458	HRNHHQJPVQTLBD-SFHVURJKSA-N	310.397	3.851	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C\C(=O)O)o1)c1nc(C2CC2)cs1	1777566125	QAFQTTXHWPABGR-FUVGTJSASA-N	312.350	3.775	50	20	DHGD	
CCOc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1O	6952737	WSNKHGMQLYBJEL-GXDHUFHOSA-N	319.364	3.742	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)cc1C	7164494	ORGLZONNHXXXIG-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1cccc(Cl)c1	30807557	BRVUCDCWHRWWOR-UHFFFAOYSA-N	302.761	3.662	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1F	105570670	XHUHDEXTBDDWDL-GHXNOFRVSA-N	301.342	3.994	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OC(F)F)cc2)c1	127540737	PTCCVNHZBBZOKX-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1c(F)cccc1Cl	133525688	CLUGYOLWBPAPSW-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3c(s2)CCCC3)c1	150766727	NWNXTBHKGAENBZ-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1cc(F)c(F)c(F)c1	175511654	DHRHUIKUXAOUNF-VIFPVBQESA-N	300.324	3.763	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc2cnccc12)c1ccccc1	178510207	FXOMXNPFKPIXIZ-AWEZNQCLSA-N	305.381	3.872	50	20	DHGD	
N#C/C(=C\c1cccc2nccn12)C(=O)Nc1ccccc1Cl	178942179	JCRUCSUJYJEBRG-ZRDIBKRKSA-N	322.755	3.533	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1O	180572714	WAYCCWSWQZNMGU-RIYZIHGNSA-N	310.309	3.682	50	20	DHGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1ccccn1	181910451	QQZANXQKFJFZJY-UHFFFAOYSA-N	312.417	3.605	50	20	DHGD	
CC[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	184253511	HTCUDTAQUGXYEU-MWLCHTKSSA-N	317.216	3.642	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(C(C)(C)C)cc1	186419873	AKPCLXXDWFRVJL-UHFFFAOYSA-N	305.422	3.573	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(Br)cc1	213150634	UMDHLDZPHCORBV-FMIVXFBMSA-N	308.175	3.699	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2ccc3ccccc3c2)cc1	254394999	CVUQMOISYNQUKV-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)c1	282110588	WVLAHDVYRUJXFZ-UHFFFAOYSA-N	322.412	3.583	50	20	DHGD	
Cc1cscc1NS(=O)(=O)c1ccc(CCCl)cc1	387212473	QKRHYZBIMIJVKL-UHFFFAOYSA-N	315.847	3.639	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)c(C)c2)cc1	734304561	OCDWFUPJXFSMSQ-YVLHZVERSA-N	308.356	3.666	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)c3c[nH]c4ccccc34)c2c1	735609279	RNQDLNYJQBJVLV-UHFFFAOYSA-N	316.364	3.722	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccccc2F)cc1F	741757037	MTGIXIDNXCHHEF-UHFFFAOYSA-N	320.364	3.841	50	20	DHGD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)NNc2ccc(F)cc2)c1	745878135	JVKRLPLKEPPLSI-CQSZACIVSA-N	315.392	3.700	50	20	DHGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2ccccc2)cc(OC)c1O	747033117	OUUCXVROHNNCIK-GZTJUZNOSA-N	319.360	3.919	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCCOC2CCCC2)c(C)c1	747306182	WWRIDDRIBSJBSN-UHFFFAOYSA-N	319.449	3.587	50	20	DHGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)[C@H](C)c1ccccc1	747591439	AVSRNIKNEXRCPH-RYUDHWBXSA-N	319.355	3.783	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1Cc2ccccc21	748009741	SRSFXGHBUVHBPS-LBPRGKRZSA-N	307.180	3.776	50	20	DHGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1cccc2c1CCCC2	748573571	COLDKGODKOBXES-KBXCAEBGSA-N	316.445	3.604	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)s1	748780121	HUTWKXBAXXFPII-UHFFFAOYSA-N	324.192	3.690	50	20	DHGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)C1CCC1	753700989	PZRHWOMBJNAWMO-UHFFFAOYSA-N	304.699	3.609	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1nc(-c2ccccc2)cs1	755586670	LZPKGKHRTFRHST-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
O=C(NN=Cc1c(Cl)oc2ccccc12)NC1CCCC1	761260382	FCMJCVQXXHTHDW-UHFFFAOYSA-N	305.765	3.662	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	767717847	OSHIPUOIPYKSBB-KPKJPENVSA-N	310.319	3.707	50	20	DHGD	
CC(=NN(C)C(N)=O)c1sc(-c2ccc(Cl)cc2)nc1C	767901727	ZSVWBWWFHHXYLR-UHFFFAOYSA-N	322.821	3.506	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cccc2ccsc12	768715975	HUQUIPZJEHMJEC-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
Cn1ccc2c(NC(=O)NNc3ccccc3Cl)cccc21	769998255	DHVAKVQGAYOWOF-UHFFFAOYSA-N	314.776	3.980	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1scnc1C1CC1	771181317	YJWDEKCJKQGUAL-UHFFFAOYSA-N	306.366	3.617	50	20	DHGD	
Cc1nscc1C(=O)NN(Cc1ccccc1)c1ccccc1	771472115	FRCSWTRVXNSOEV-UHFFFAOYSA-N	323.421	3.803	50	20	DHGD	
CC1(OCC(=O)NN=C(c2ccccc2)c2ccccc2)CCC1	772952494	GFKUXKRQXMYWTC-UHFFFAOYSA-N	322.408	3.514	50	20	DHGD	
N#CSCCCNC(=O)C(c1ccccc1)c1ccccc1	773588411	OCPKWQVTZDOWOS-UHFFFAOYSA-N	310.422	3.539	50	20	DHGD	
CC[C@@H](NC=C(C#N)C#N)c1cc(F)cc(Br)c1	776722207	NYCZQQSNLUWDLQ-CYBMUJFWSA-N	308.154	3.560	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC[C@@H](COc2ccccc2)C1	780366606	UDSPUTCVYVFBJT-LELXDKESSA-N	304.393	3.952	50	20	DHGD	
CC[C@]1(C)Oc2ccc(NC(=O)NNc3ccccc3)cc2O1	785871453	JCMDINJAWDOOHQ-QGZVFWFLSA-N	313.357	3.733	50	20	DHGD	
O=C(NNc1ccccc1F)c1c[nH]cc1-c1ccccc1F	787459067	RVPYFAUJSSPLEF-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
CCCCCCCCC(=O)NNc1ccc(F)c([N+](=O)[O-])c1	788149355	QQXPXBDEYKGRHX-UHFFFAOYSA-N	311.357	3.928	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccccc2CC(C)C)c1	790809393	WNGOLOPDTMVWBC-UHFFFAOYSA-N	316.376	3.790	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2cnn(-c3ccccc3)c2)C1	794511487	CUHTXKXBFQKAHE-OAHLLOKOSA-N	324.428	3.804	50	20	DHGD	
C[C@@H]1CSC[C@@H]1NC(=O)CCCC[C@H]1CCSS1	803530018	DSOKLUOACVHCOI-WOPDTQHZSA-N	305.534	3.568	50	20	DHGD	
CSSCCNC(=O)N(CCC(C)C)C1CCCC1	807229112	OCHOJECNALTFDS-UHFFFAOYSA-N	304.525	3.998	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	807957603	RPFQROBXPAYURA-CYBMUJFWSA-N	312.369	3.764	50	20	DHGD	
CO[C@H]1CCN(Cc2ccc(OCCCCl)cc2)[C@@H](C)C1	811500548	GPNVDTUZUFXDPU-YOEHRIQHSA-N	311.853	3.694	50	20	DHGD	
CCCC(=NNC(=O)c1cccc2ncccc12)c1cccnc1	814841828	XERCMXASZDLDBL-UHFFFAOYSA-N	318.380	3.564	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)N(C)CC(Cl)Cl	816629557	ROKICAQRTQLAGD-TUAOUCFPSA-N	310.265	3.622	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)CC(C)(C)C)o1	834948575	CJIIGPKSDCAOAY-UHFFFAOYSA-N	307.438	3.663	50	20	DHGD	
CCC(C)(C)OCC(=O)NNc1c(Cl)cccc1Cl	837475322	NAIHIQRKUDVHSP-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
CO[C@H](CNC(=O)CCCC[C@H]1CCSS1)CC(C)C	841443930	KHELEPVYNKGLFJ-KBPBESRZSA-N	319.536	3.878	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc3sccc3c2)C[C@@H]1Br	857395015	VMFGMPHYBIEGEM-JSGCOSHPSA-N	324.243	3.805	50	20	DHGD	
CC[C@H](C(=O)NNc1ncc(F)cc1F)C1CCC(C)CC1	857533288	QYBLKSMONJMADY-XIVSLSHWSA-N	311.376	3.655	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)c2cccc(Cl)c2F)n1	862520841	DEFYHEGHINKENG-UHFFFAOYSA-N	321.783	3.603	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2nc3ccccc3s2)C1	901276448	RHSMDSYUGPWRHR-LLVKDONJSA-N	319.455	3.688	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CCc2ccoc2)C1	912582677	PUVDMJMTGJPXSY-HNNXBMFYSA-N	323.509	3.835	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1ccc(OC)c(OC)c1	917565297	NMRKRDGTZOGSEK-UHFFFAOYSA-N	306.406	3.780	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H]1CN1CCCCC1	1336332183	WGDGBHOKLAGJTM-QGZVFWFLSA-N	320.864	3.516	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)C1CCC1	1338652946	GMEQOWDXOMBGBU-XNTDXEJSSA-N	321.332	3.921	50	20	DHGD	
C[C@@]1(c2ccccc2)CN(C(=O)C2CCC(Cl)CC2)CCO1	1347386832	YIRXJHDPBMJFAK-PVARCSIZSA-N	321.848	3.558	50	20	DHGD	
O=C(/C=C\c1nccs1)NNc1ccc(Cl)cc1Cl	1351535570	DYYLOWFDOKLXDY-ARJAWSKDSA-N	314.197	3.606	50	20	DHGD	
CCCC[C@@H](CCC)NC(=O)NNc1cccc(C(=O)O)c1C	1595633486	LRJVHOGOCOHDDS-CYBMUJFWSA-N	321.421	3.678	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cccc(C(=O)O)c2F)sc1C	1777489415	LYHLYNGXLAPXGU-IZZDOVSWSA-N	302.330	3.661	50	20	DHGD	
CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1	33299934	CTBFFEQDOJSXAD-POHAHGRESA-N	321.163	3.906	50	20	DHGD	
COc1ccccc1CC(C)(C)C(=O)NNc1ccc(F)cc1	112628273	HHSAJOONCLLTQU-UHFFFAOYSA-N	316.376	3.546	50	20	DHGD	
Cc1cc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)nc(C)n1	128560616	UYHXNDOUHZWSNR-UHFFFAOYSA-N	324.384	3.522	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)c(C)c1	132711942	CNSZJCXKCKPAKQ-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CN(Cc1cscn1)C(=O)CCCC[C@@H]1CCSS1	140625913	UPIJAMJHTKOMPG-GFCCVEGCSA-N	316.517	3.816	50	20	DHGD	
O=C(CCc1ccco1)NNc1c(Cl)cc(F)cc1Cl	179444292	HIWDSYVLPZZKGE-UHFFFAOYSA-N	317.147	3.801	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCc2ccccc21	182730910	DSHAHMUWJGAWCY-PCJMVEANSA-N	320.367	3.579	50	20	DHGD	
C=CCN(Cc1cccs1)C(=O)/C(C#N)=C/c1ccc(O)cc1	194017063	YAZGGJNYZDGYTG-RVDMUPIBSA-N	324.405	3.575	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/C=C1\N(C)c2ccccc2C1(C)C	212380992	PGHKKDZDDPPDPV-RLGXRJJKSA-N	310.397	3.699	50	20	DHGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)Nc1ccccc1	255122111	AXKGENBTEOOUBE-BENRWUELSA-N	322.755	3.533	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(C)noc3C)c[nH]c2c1	255301918	YJGUFEIVGKBTDE-QPEQYQDCSA-N	305.337	3.871	50	20	DHGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1	255539552	LFAXPNLKFUVHAX-FOWTUZBSSA-N	305.333	3.780	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2cccc3c2CCCC3)o1	293406373	OTWSIUFTRNTAQM-UHFFFAOYSA-N	313.401	3.571	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1C#N	491007998	HFCPNYWLPYTUIK-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
CC[C@H](CC(=O)NNC(=S)Nc1cc(C)ccc1C)C(C)C	729687876	DSABNTUNNWCLAU-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
CC(=NNC(=O)NC1CCCC1)c1cccc(-c2ccncc2)c1	741459403	DBKWUPZKCTTYNF-UHFFFAOYSA-N	322.412	3.714	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\C3=Cc4ccccc4OC3)nc12	741473488	QSRQODBVBNRPAS-DHDCSXOGSA-N	314.348	3.649	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNC(=O)Nc1ccc(C)cc1Cl	743824537	OQFHJDPRSBRLIG-SNVBAGLBSA-N	311.813	3.627	50	20	DHGD	
CCC(C)(C)CC(=O)NNC(=S)Nc1ccccc1C(C)C	745992550	PZZIOADJMQSYSA-UHFFFAOYSA-N	321.490	3.954	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)C2CCCCC2)o1	746490753	MZRKIMASQMQGSO-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748721650	FVBCWQUNGUFXGJ-ZJUUUORDSA-N	311.769	3.518	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2cccnc2Cl)cc1	754478432	ZQXBLSUOPORISR-LBPRGKRZSA-N	317.820	3.934	50	20	DHGD	
Cc1cccc(OCC(=O)NN=CC[C@H](C)c2ccccc2)c1	755498611	JZHGLGXYRNHGOK-INIZCTEOSA-N	310.397	3.670	50	20	DHGD	
Cc1ccc(NCC(=O)NN=CC[C@H](C)c2ccccc2)cc1	755503933	IOMJDSYWOKTJKJ-INIZCTEOSA-N	309.413	3.703	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cccc2[nH]ccc12	755570870	PMVLDMIUALETGD-UHFFFAOYSA-N	311.772	3.514	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)c1cccc2ncccc12	755699477	GERDTAOPWXSPFO-CRAIPNDOSA-N	315.376	3.754	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H](C)Sc2ccc(Cl)cc2)c1	755847027	KNNFCPSJNKMKHM-NSHDSACASA-N	321.833	3.667	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1cc(C)ccc1F	760136917	JZKAZDUVXHBENF-MRXNPFEDSA-N	316.376	3.743	50	20	DHGD	
Cc1oc2ccccc2c1CNC(=O)NN(C)c1ccccc1	767939218	FHOVXBGQBJCKFZ-UHFFFAOYSA-N	309.369	3.592	50	20	DHGD	
CC[C@@H](CC(=O)NNc1nc2ccccc2[nH]1)c1ccc(C)cc1	768507206	OINXQDGIJAWQRS-AWEZNQCLSA-N	322.412	3.898	50	20	DHGD	
Cc1cc(Cl)ccc1NC(=O)NNc1cccc([N+](=O)[O-])c1	769922890	GZNYLIWXEBBZAM-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
C[C@@H](CBr)CN1CCS[C@@H](c2ccccc2)C1	770652234	GNBJXQDGQWLJGT-GXTWGEPZSA-N	314.292	3.808	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1C(F)(F)F)c1ccccc1	771872246	QAOGIIIKMHAKEO-UHFFFAOYSA-N	310.250	3.608	50	20	DHGD	
CCCc1nc(C)c(NC(=O)NNc2ccccc2F)s1	777016241	OAICZDDWKFNNPE-UHFFFAOYSA-N	308.382	3.692	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	779217591	QCOIZLYGMRBTCH-JTQLQIEISA-N	316.323	3.855	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)[C@H]1CCCO1	780846249	ZVWHXXSGCLKPMG-HZPDHXFCSA-N	319.449	3.568	50	20	DHGD	
O=C(NN=C1COCc2ccccc21)c1ccc2ccccc2c1	782204965	GNAQUJDLNJAPGW-UHFFFAOYSA-N	316.360	3.504	50	20	DHGD	
CC(C)[C@@H](F)C(=O)NNc1ccc(Br)cc1Cl	784449077	UDARXSZPFDMJRX-SNVBAGLBSA-N	323.593	3.540	50	20	DHGD	
Cc1ccccc1C[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	785357027	BNZZHCJGWKCPAJ-GYZOOYGHSA-N	322.383	3.789	50	20	DHGD	
Cn1ccc2cccc(NC(=O)[C@H](Br)C(C)(C)C)c21	788553198	GTHFFMMNBLAOTK-ZDUSSCGKSA-N	323.234	3.926	50	20	DHGD	
C=C(CBr)CN1C[C@@H](c2ccc(F)cc2)C[C@@H]1C	791460539	JECYVJBDZYOFKB-JSGCOSHPSA-N	312.226	3.955	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2ccc(F)cc21	793325790	VCSSJUJPTXSFGY-MRXNPFEDSA-N	317.339	3.669	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	793850869	JGLKCDFOLJBVDE-ZYHUDNBSSA-N	315.339	3.760	50	20	DHGD	
COc1cc(NC(=O)NNc2c(F)cccc2F)c(C)cc1C	797676117	CPJUTJXPPUFFBD-UHFFFAOYSA-N	321.327	3.739	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccoc1	798229884	IELQCFPHKOOGNO-WZUFQYTHSA-N	302.673	3.631	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(C#N)ccc1OC	799395929	YIVRAICPJYRPCO-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]2CCCC[C@H]21	802820809	FCERVEPBFFEHDF-DAXOMENPSA-N	317.389	3.644	50	20	DHGD	
CCCCS[C@H](C)C(=O)NN(CCC)C(=O)OC(C)(C)C	804595896	NYZWZAZZQXQDHH-GFCCVEGCSA-N	318.483	3.587	50	20	DHGD	
Cc1ccccc1[C@H](CO)NCCO[Si](C)(C)C(C)(C)C	808744933	GHARYCCYJMZMCF-INIZCTEOSA-N	309.526	3.640	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnc2ccccc2n1	812766602	KPKMDTUXKVPSSC-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C#N)c(Cl)c2)ccn1C(C)C	816083823	FUMXRYKHIBXQQQ-UHFFFAOYSA-N	316.792	3.659	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)[nH]1)c1nc(-c2ccccc2)cs1	833064641	TWHDZNSIKKABKH-WQLSENKSSA-N	321.361	3.901	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3ccnc(Cl)c3)CCC2)cc1	855461846	JADFITLFVIPXSQ-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CCCc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)s1	856719886	BESHKNPKJZAYOW-XFXZXTDPSA-N	300.383	3.517	50	20	DHGD	
COc1cc(CNC[C@]2(C)C[C@@H]2Br)ccc1Cl	858196420	PQRGWAYFGZOMSD-STQMWFEESA-N	318.642	3.612	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C[C@H]2CC[C@H]1C2	860326215	ULBHNHXPIUKQDY-YHAQOWFVSA-N	323.780	3.518	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)c1ccccc1OC	863091368	HHXHUYHCNVEYAK-UHFFFAOYSA-N	310.397	3.824	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCCC1(C#N)CCC1	909053170	RZCNXIMONUBOPQ-FOWTUZBSSA-N	324.380	3.707	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)C(=O)CC(C)(C)C)c1	918714477	XVBCOAYXUXVKQQ-XNTDXEJSSA-N	301.386	3.624	50	20	DHGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2ccc(Cl)c(C)c2)n1	928342472	XSVDSFQKPZGZLY-ZDUSSCGKSA-N	320.824	3.556	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)c(C)c1	935022716	XXCGRVTTWWLBJI-CVEARBPZSA-N	304.434	3.506	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1cncc(Br)c1	1319648790	PLSFCTPPMGJTCR-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(C)n(CC2CC2)c1C	1320655854	KMYMZICROXDELN-UHFFFAOYSA-N	315.392	3.719	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)c2ccc(F)cc2F)cc1	1325151186	LVBHVPIXCJRDAT-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-]	1341899905	VVGRBXZXCXHAKG-JTQLQIEISA-N	321.279	3.891	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)c2ccc(F)cc2F)ccc1[N+](=O)[O-]	1341899906	VVGRBXZXCXHAKG-SNVBAGLBSA-N	321.279	3.891	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc(OC)c1	33461996	ZFPDVMOQWQFAOM-QPEQYQDCSA-N	305.337	3.644	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccc(F)cc3)csc2C1	66282033	YQQUHVKSSCJKBR-JTQLQIEISA-N	304.390	3.769	50	20	DHGD	
CSc1cccc(NC(=O)NNc2c(F)cccc2F)c1	153207361	POAMMEYWSHGMRT-UHFFFAOYSA-N	309.341	3.835	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1OC	154279746	GINOGCVREGSBPV-WJDWOHSUSA-N	307.349	3.802	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCc2ccc3ccccc3c2)cc1	155498746	JCJVGLOAJCXXCN-UHFFFAOYSA-N	315.376	3.787	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1F	175427638	GDSAREVZTUNEDT-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	210669944	CSAOJUYWYUGPLB-QLENYVDCSA-N	320.392	3.870	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C3CCC2CC3)c1C	490563624	RZXDIZDFKJTFLW-LFIBNONCSA-N	311.429	3.575	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1F	588619001	AMCOXPZTDHPKAO-RERGGYADSA-N	324.355	3.619	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccc(F)cc1Cl	730552285	HPHJPGCWPREQCS-UHFFFAOYSA-N	304.752	3.942	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1ccnc(N(C)C)c1	731561831	ZDCLICXIOUPODL-OAHLLOKOSA-N	316.449	3.636	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc3ccccc23)[C@H]2CCCO[C@@H]21	743441676	MCGODHBEQVIWPO-AEFFLSMTSA-N	322.408	3.761	50	20	DHGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	745889672	HQYVAZHZKRFTAB-DTWKUNHWSA-N	303.328	3.555	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc2cnccc12	746696235	WDZKLUGFVKHJIM-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1)c1ccc(O)c(Cl)c1	747750291	OXRRICMWFVJTOA-CYEHMBPOSA-N	318.735	3.614	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@@H]1CCc2ccccc2C1	748549889	SLZBYXJJUHEXKU-CQSZACIVSA-N	312.388	3.772	50	20	DHGD	
COc1cccc2cc(C(C)=NNC(=O)CC3CCCC3)oc12	749450505	WOBBAJOGTABIDM-UHFFFAOYSA-N	314.385	3.862	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1ccc(-n2ccnc2C)cc1	751525564	HXJSRUWKZJQBEH-UHFFFAOYSA-N	324.428	3.601	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(O)c(F)c3)n2)cc1	755407936	UOIROJIDHIQXDG-ZSOIEALJSA-N	321.311	3.954	50	20	DHGD	
O=C(NN=Cc1cccc2[nH]ccc12)c1ccc(Cl)cc1F	755754506	DYMKRHQDSIAHEW-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
N#C/C(=C/c1ccc(Br)cc1Cl)c1ccncn1	758909058	AYYOPVDPKTVOOC-YHYXMXQVSA-N	320.577	3.957	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)c1ccncn1	758914679	IKILUDDGFZOSAX-ONNFQVAWSA-N	306.152	3.856	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	760377018	GULRTJNIBOAOEF-UHFFFAOYSA-N	313.785	3.908	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1c(Cl)cccc1Cl)C(C)C	763613580	ZXHMKDDXNPVHAW-LBPRGKRZSA-N	319.232	3.888	50	20	DHGD	
CCC(=NNC(=O)Nc1ccccc1C)c1ccc(O)c(F)c1	764682505	NDQFZVWJHQYKNI-UHFFFAOYSA-N	315.348	3.776	50	20	DHGD	
O=C(NN=Cc1ccc(Oc2cccc(F)c2)cc1)C1CCC1	766451865	ZETYINYSKUAWKK-UHFFFAOYSA-N	312.344	3.868	50	20	DHGD	
O=C(NN=C1CCSc2c(F)cccc21)c1ccccc1F	767839111	YDTSYBHXZUGOKB-UHFFFAOYSA-N	318.348	3.595	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCCCOCc1ccccc1	785362603	NOPCFMFMKMFGET-RGEXLXHISA-N	321.376	3.744	50	20	DHGD	
COc1cc(NNC(=O)Cc2ccc(C)c(C)c2)ccc1Cl	790166113	PNXRKNUPESSACT-UHFFFAOYSA-N	318.804	3.651	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1ccc(Cl)c(F)c1	790878941	LRQHKAAJGUQKSE-UHFFFAOYSA-N	322.858	3.632	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@H](C)C2	794955065	UAQBHKDJOCMYBW-PWDRSIHYSA-N	313.397	3.931	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(Cl)c1C	795636604	MSMPFHXSDNUJCO-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ncccc1Oc1ccccc1	799540493	KVGOZGKZYSKAQL-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	800314264	NSJRPANPXMWBGM-SECBINFHSA-N	317.216	3.581	50	20	DHGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCC(Cl)Cl)c1	808131762	UFJKSCXNMSULSJ-NSHDSACASA-N	318.244	3.806	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc2c(c1)C(C)(C)CO2	811140909	WAIVRFSCYROABI-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])cn1	812244661	LZPMZJZGOBNJMG-YHYXMXQVSA-N	303.680	3.846	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)cc1O	812246503	MXZSVSWUSBCVKC-WDZFZDKYSA-N	320.270	3.879	50	20	DHGD	
Cc1sccc1C=NNC(=O)CCSc1ccc(F)cc1	814754367	QKJRMDGUSZLKDL-UHFFFAOYSA-N	322.430	3.828	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(c3cc(F)cc(F)c3)C2)o1	814868145	LKSWXFBWOXGCCR-UHFFFAOYSA-N	304.296	3.530	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC2(CCC2)[C@@H]1C1CCOCC1	823660533	MILPIOCOJQHJLN-RAEBXZQASA-N	308.425	3.832	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2-c2nn[nH]n2)n1	824352843	PTBSQAFLLBEEMC-KPKJPENVSA-N	322.397	3.511	50	20	DHGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNc1ccccc1Cl	830786049	GNFXGJUXIOXXCR-MRVPVSSYSA-N	307.608	3.757	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1C[C@H]1c1cccc(O)c1	839710368	ZBIJFNIHNUQJHU-ZWKOTPCHSA-N	322.408	3.518	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)s1)[C@H]1C[C@H]1C	841612493	KVSKXBBJLPZXLM-SFYZADRCSA-N	315.236	3.662	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CC2CCOCC2)C1	844337677	TYCKHGHGYHFNST-INIZCTEOSA-N	313.558	3.899	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H](C)c1c(C)noc1C	885124901	FZDCJRRMRXNJOL-SECBINFHSA-N	307.781	3.500	50	20	DHGD	
Cc1cc(C(=O)NN=C(c2ccccc2)c2ccccc2)c(C)[nH]1	914754980	AHJDKYYURLKIKW-UHFFFAOYSA-N	317.392	3.814	50	20	DHGD	
COC(=O)NN=Cc1cccc(OCc2ccccc2Cl)c1	916659126	JPXXXZNJEGBODV-UHFFFAOYSA-N	318.760	3.609	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCOCCC(C)C)cc1	918534837	VMGSYLXTODMJAY-ATVHPVEESA-N	301.386	3.508	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccc(NC(C)C)nc1	928336941	FFQIBXSSJCGITG-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1Cl	1318511069	GLOMHYBWZFLZHH-LBPRGKRZSA-N	322.836	3.708	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(C)c(Cl)c2)o1	1324366015	UTOANWKUKJUEPC-UHFFFAOYSA-N	307.781	3.654	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1nc2ccccc2c(C(=O)O)c1C	1776689070	OSNOMIJETLAXOT-VSXLWIIGSA-N	322.364	3.764	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccccc2Cl)c(OC)c1	91985933	SFWAVQZEZCMEPV-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc(Cl)cc2)CC1	120385862	RNUVSNMKUZGTIE-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3cccnc3Cl)cc2c1	128584292	OYLJZYGEPFLESU-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@H](C)c2cccc(F)c2)c1	155728428	LGQIXGHOIAIQGE-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2ccc(F)cc2Cl)c1	158676238	JXDWISQFPMHZAN-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccn(C3CCCC3)n2)c(C)c1	159829493	ZRKYMJLDPKMQRB-UHFFFAOYSA-N	312.417	3.680	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl	178948217	KTGVMTPWRINQGA-WKMLFNHBSA-N	313.184	3.615	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1C	206949630	GRCNYRDPWGQWNY-UYRXBGFRSA-N	304.393	3.569	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)o1)C(=O)c1ccc(Cl)cc1F	255159928	ATYVIDUSLDWOGY-UITAMQMPSA-N	300.676	3.734	50	20	DHGD	
COc1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c(C)cc1C	490692686	HNRGNOARDYNZFV-DHDCSXOGSA-N	322.364	3.563	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2nc(Cl)cs2)c1	490783688	SLTCSFKOJXONHN-POHAHGRESA-N	303.774	3.651	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491158891	GSUXZIXISYZFFQ-OQLLNIDSSA-N	317.348	3.728	50	20	DHGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1nc[nH]n1	690222374	LANGTECWDFUZKQ-UHFFFAOYSA-N	314.239	3.714	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNc2ccc(F)cc2)c1	730675395	ZFISGEGVCHKJMZ-CYBMUJFWSA-N	301.365	3.830	50	20	DHGD	
CCCCC(CC)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	732923418	AUVZUOYOCFNZCE-AWEZNQCLSA-N	320.433	3.925	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1ccc(Cl)nc1	743819578	WPTYZAYTTZMCSR-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2ccc(OC)cc2)cc1	746886877	NJPBBEXWPISZJR-AWEZNQCLSA-N	312.413	3.895	50	20	DHGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1	751456859	WSQQHXYDLHDGLN-KZIRBZLESA-N	320.367	3.845	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1cc(C#N)cc(Cl)n1	752735435	XGOXLPCLWLYKFX-LLVKDONJSA-N	308.813	3.656	50	20	DHGD	
O=C(NC[C@H]1CCC[C@@H](C(F)(F)F)C1)NNc1ccccc1	753063885	YLIQRMVIWFXMNK-NWDGAFQWSA-N	315.339	3.681	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@H]1CC12CCC2	753167751	CWJPOKRCGIFXMF-GFCCVEGCSA-N	323.234	3.645	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C[C@H]1CCc2ccccc21	755570590	LTAFQROLMKRORN-OAHLLOKOSA-N	312.800	3.715	50	20	DHGD	
COCCC(=NNC(=O)c1cc2c(s1)CCCCC2)C(C)C	756822698	CUDPQCUHTNISDG-UHFFFAOYSA-N	322.474	3.795	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1ncncc1Cl	781836197	KBSUMMDJWFBFEZ-LBPRGKRZSA-N	310.829	3.570	50	20	DHGD	
C[C@@H]1C[C@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CO1	784006783	AMWNAFXFRRNVNN-RQJHMYQMSA-N	323.607	3.515	50	20	DHGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	789038723	JBKNEMGXXSWKFX-MNOVXSKESA-N	313.829	3.799	50	20	DHGD	
CSSCCNC(=S)Nc1ccc(OC(F)F)cc1	789325038	LQORMHFCJXJREA-UHFFFAOYSA-N	324.443	3.586	50	20	DHGD	
Cc1ccc(NNC(=O)CCSCc2ccccc2)cc1	792632568	GURMBVPYLISTHL-UHFFFAOYSA-N	300.427	3.762	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	793331888	XCPKJGIOUVQVEB-WCQYABFASA-N	307.346	3.725	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1cc2ccccc2n1	794951042	APUCBNJJZPAQNR-UHFFFAOYSA-N	322.412	3.611	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)[C@H]1CCCOC1	794954617	VMFACZXTOOLBAW-GFAPJHNFSA-N	303.789	3.805	50	20	DHGD	
N#C/C(=C/c1cccc(-c2cccnc2)c1)C(=O)C1CCOCC1	794957990	HVBSRUQSAILPDM-UNOMPAQXSA-N	318.376	3.651	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1nc2ccccc2[nH]1	799102884	VATXXUVXUVYJAJ-UHFFFAOYSA-N	320.396	3.590	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	802022685	FAYKGVGFRUAVHT-VXGBXAGGSA-N	323.824	3.709	50	20	DHGD	
CC(C)c1occc1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802022789	IBUCDUWYQUODER-UHFFFAOYSA-N	321.764	3.523	50	20	DHGD	
Cc1ccc2c(C(=O)NNc3ncccc3F)csc2c1	804212941	DJUMHLBFNNGQPD-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1c(C)nc2ccccn12	807947226	LZEDVVAVALQQHT-LBPRGKRZSA-N	300.406	3.575	50	20	DHGD	
Cc1ncc(CNCc2ccc(OCCCCl)cc2)s1	811478114	BGXAJRFIGALQCC-UHFFFAOYSA-N	310.850	3.749	50	20	DHGD	
CCN(C[C@H](C)OC)C(=O)CCCC[C@H]1CCSS1	812777210	ZGZMROJDBQNKDV-STQMWFEESA-N	305.509	3.584	50	20	DHGD	
Cc1nc(CNC(=O)NNc2c(C)cccc2C(C)C)cs1	813032232	QPVUEDWIWKRVNW-UHFFFAOYSA-N	318.446	3.710	50	20	DHGD	
O=C1CCCCC[C@@H](C(=O)NNc2cccc3c2CCCC3)C1	813494218	CAMUKOPISVTKMW-OAHLLOKOSA-N	314.429	3.548	50	20	DHGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1ccccc1C	814216279	FTJTXRMWYABERD-BZTBMDLCSA-N	322.408	3.961	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cncc(C)c1	815004418	FPYQGGAKHUBLFA-UHFFFAOYSA-N	302.765	3.589	50	20	DHGD	
CCOc1ccc(NNC(=O)CO[C@@H]2CCCC[C@H]2CC)cc1	817885671	JAJDMYLBQFEWIS-RHSMWYFYSA-N	320.433	3.514	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	817933696	ORZZRDJSFSMVFU-CLTKARDFSA-N	323.570	3.814	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	835069451	GXKSMLVKLKTJKH-VIFPVBQESA-N	305.252	3.787	50	20	DHGD	
C[C@]1(COC(=O)/C(C#N)=C/c2ccccc2)CC1(Cl)Cl	837677659	CLPJJSFCPADSGM-WEKMIXOTSA-N	310.180	3.721	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)CCC2CCCCCC2)o1	847404778	NQMHCMZPHJGRBU-UHFFFAOYSA-N	318.421	3.863	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2ccc(O[C@@H]3CCOC3)cc2)n1	849176315	LEQIWYWZIPCXEC-WPMUKRGUSA-N	312.394	3.683	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2ccc(C)c(F)c2)cc1	856231528	AYQPYWMBVJTEKT-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(F)c(Cl)c2)ccn1C(C)C	863083208	ZPOGGDTTWNZDEC-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
O=C(NCCC1CC(F)(F)C1)NNc1cccc(F)c1Cl	875653733	JGLAJYIYTZNLOF-UHFFFAOYSA-N	321.730	3.541	50	20	DHGD	
CSCc1cccc(NC(=O)[C@@]2(C)C[C@H]2Br)c1	906635527	IDFCTDGLUGCLOV-YPMHNXCESA-N	314.248	3.662	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)c2cccs2)C1	912584525	JGMJTXQSBWQXTF-LBPRGKRZSA-N	311.523	3.984	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(N(C)c2ccccc2)cc1	916342770	PFGARYFTBFWXQG-UHFFFAOYSA-N	309.413	3.951	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)c3c[nH]c4ccccc34)c[nH]c2c1	917531731	CGBHNRGHXUVZAK-UHFFFAOYSA-N	316.364	3.722	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1ccc(Cl)c(F)c1	1324658327	RAEZBLSFXOKXGS-JTQLQIEISA-N	307.756	3.866	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	1330060242	WILLCDVQDCNNBK-WDZFZDKYSA-N	320.270	3.879	50	20	DHGD	
C=CCC1(C(=O)NNc2cccc(C(=O)O)c2C)CCCCC1	1588765324	XMZXNHRMZSNFPK-UHFFFAOYSA-N	316.401	3.663	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)ccc1Cl)C(=O)c1ccccc1	1601045861	QRDYDIULELIUTI-ZROIWOOFSA-N	311.724	3.828	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1	6946006	JWPWMNNPOWFMHX-LDADJPATSA-N	320.392	3.617	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccccn2)c(Cl)c1OC	107066554	KMPNVQZEHVRGJY-XFXZXTDPSA-N	300.745	3.816	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	110340623	LKRCTENDXDGMBL-HOCLYGCPSA-N	304.434	3.544	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1sccc1-n1cccc1	118511855	OBUFBTXXNHCOMB-UHFFFAOYSA-N	319.336	3.574	50	20	DHGD	
Cc1cscc1NC(=O)NNc1ccc(C(F)(F)F)cn1	119890583	SDVSIWVMJTVANC-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2c(C)nc3ccccc3c2C)cc1	120422332	JNOZRSZFAFGNOP-UHFFFAOYSA-N	319.408	3.846	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1ccc(OC(F)(F)F)cc1	135003110	QKYNDNHOUJXMLZ-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccccc2C(C)(C)C)c1	157949710	OIPIGOKJMAZTEN-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@@H]1c1cccc(F)c1F	158565249	ZLFFFCOEZKKXHA-GHMZBOCLSA-N	322.742	3.865	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)o1	177614290	SVMQGQZURSBMSY-XNTDXEJSSA-N	323.348	3.863	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccc2ccccc2n1	181091314	LPCJFOAXIQNWNE-KBPBESRZSA-N	323.421	3.852	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(OCC2CC2)cc1	184383348	ZBXDPANWGGVJQQ-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1cccc(C2CCC2)c1	286938330	JQXYRDPFFAGVOP-UHFFFAOYSA-N	322.412	3.769	50	20	DHGD	
N#C[C@]1(C(=O)NNc2cc(Cl)ccc2Cl)CC12CCCC2	294865851	GQBRNYFMMPGDIS-HNNXBMFYSA-N	324.211	3.911	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2sc(C)nc2C)cc1	729206346	PEJMEVWEHRHXKQ-OVCLIPMQSA-N	312.394	3.719	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H](C)C2CC2)ccc1Br	734254875	MTJCUANSVVRWMU-VIFPVBQESA-N	311.223	3.637	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)cc(OC)c1O	741474080	NDTDGDGKMVTEIS-LFYBBSHMSA-N	316.382	3.547	50	20	DHGD	
CC(C)NC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1	745009383	NQABHVAMLZWONQ-UHFFFAOYSA-N	305.765	3.642	50	20	DHGD	
N#Cc1csc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1	748075669	GCJZFIYWPCPFIH-UHFFFAOYSA-N	324.192	3.690	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1cc(C)nc(C)n1	749538061	KOZFFGJHKFSIHX-OAHLLOKOSA-N	304.438	3.533	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)o1	753532270	CRCDJTPYKRVFTR-JOCQHMNTSA-N	318.421	3.575	50	20	DHGD	
COc1cc(Cl)c(/C=C(\C#N)c2ccncn2)cc1Cl	758911550	JRPBZSYAMWMRQV-ONNFQVAWSA-N	306.152	3.856	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(\C#N)c3ccncn3)s2)cc1	758916450	QXIZVHVMCZJHEO-RIYZIHGNSA-N	304.378	3.973	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@H]2CCC[C@H](C)C2)o1	768364561	KJWBFDHLCYPPFC-GJZGRUSLSA-N	319.449	3.663	50	20	DHGD	
CC1(C)C(=NNC(=O)CNc2ccccc2)C[C@H]1c1ccccc1	768476029	HQSGQOJXRZTCAS-KRWDZBQOSA-N	321.424	3.784	50	20	DHGD	
CC[C@H](C)[C@H](NC(=O)NNc1cccc(Cl)c1)C(F)(F)F	772528245	ZFLQBOFFQQNXMP-KWQFWETISA-N	323.746	3.943	50	20	DHGD	
Cc1ccsc1CCNC(=O)NNc1ccccc1Cl	774304194	OQHMRHSDDPOKCW-UHFFFAOYSA-N	309.822	3.579	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(C(F)(F)F)c2)sn1	775656749	BFGMTAYMISHSSA-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2c(F)cccc2F)cc1C	775712287	ANGMDTVKBYKLMT-VIFPVBQESA-N	323.347	3.589	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccccc2Cl)cc1C	778391115	HVEORPUPCFWCPP-SNVBAGLBSA-N	306.797	3.573	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2CCCC[C@H]2C)cc1	783832744	TZVFGGXLMDTRCE-ZBFHGGJFSA-N	302.418	3.556	50	20	DHGD	
Cc1ccsc1/C=C(\C#N)C(=O)NCc1cccc(Cl)c1	786057251	YACGSJSIBRXGTF-MDWZMJQESA-N	316.813	3.933	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCCCOc1cccc(Cl)c1	786679833	CMUIBMVDBLCPKV-UKTHLTGXSA-N	305.761	3.512	50	20	DHGD	
CC(C)n1cc(C(=O)NNc2cc(Cl)ccc2Cl)cn1	787135012	NZLIZMJXXIZWMJ-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H](C)CCC(C)C)ccc1Cl	788846227	RFZIHUAKLBLNFN-NSHDSACASA-N	313.829	3.799	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1cccc([N+](=O)[O-])c1	788929604	WVJZMPJFBXJJCZ-UHFFFAOYSA-N	303.362	3.837	50	20	DHGD	
COc1cc(NNC(=O)c2ccccc2SC)ccc1Cl	790188068	WAOJVDAQGNQCTQ-UHFFFAOYSA-N	322.817	3.827	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(N(C)C)cc1)C1CC1	791449408	PXOOOCYADBWIOF-UHFFFAOYSA-N	323.278	3.668	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3ccc(Cl)c(F)c3)ccc2o1	792267854	SLCYHJBOPVQURU-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
Cc1ccc2c(c1)CCN(/C(=C/C#N)c1ccc([N+](=O)[O-])cc1)C2	792312847	QKKJGUDLXTTYNA-UFWORHAWSA-N	319.364	3.826	50	20	DHGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)OC(C)(C)C)cc1OC	794455190	MRGHROYXZAXXDT-NSHDSACASA-N	322.405	3.708	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1cccc(F)c1	794945004	XEDGFKZDBUGSLI-CHHVJCJISA-N	323.323	3.931	50	20	DHGD	
COC(=O)NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	799465393	HIFOLJXTMPZLSH-JTQLQIEISA-N	300.280	3.685	50	20	DHGD	
COC[C@@H](NC[C@@H](C)CBr)c1cccc(Cl)c1	808801561	YXIGSJOWDPBAAM-GXFFZTMASA-N	320.658	3.648	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNc1ccc(F)cc1)CCC2	813852467	GFPSZEMVLVMTLV-QGZVFWFLSA-N	313.376	3.838	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC3(CC3)C2)c(C)n1-c1ccccc1	814704921	RWHFRUYDLIKIPL-UHFFFAOYSA-N	307.397	3.754	50	20	DHGD	
O=C(COCc1ccccc1)NN=Cc1ccc(C2CCC2)cc1	814855647	RHWADZITNXYKHM-UHFFFAOYSA-N	322.408	3.621	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(Cl)n1)c1ccccc1Cl	817007850	SJSGKLNQRIXIJS-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCCCC1(F)F	824208557	CYUHKGDGWZRSOU-NSHDSACASA-N	322.277	3.974	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCC(F)(F)C2)c(Cl)c1	838574617	IHXNDZPADNEMAK-SNVBAGLBSA-N	317.767	3.710	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C\C2CCCC2)cc1C(F)(F)F	843833410	PPTINWVYAAHEEQ-YVMONPNESA-N	323.318	3.767	50	20	DHGD	
N#Cc1cc(Cl)nc(NNC(=O)CCC2CCCCCC2)c1	847639075	UEPDMOXMBXFOIQ-UHFFFAOYSA-N	320.824	3.800	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2ccc(F)cn2)C1	852523989	DYDVIAHZMWQTBC-HNNXBMFYSA-N	310.489	3.817	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C[C@@]1(C)CC1(Cl)Cl	855370089	NGFBERNEYMHKKZ-LBPRGKRZSA-N	305.180	3.551	50	20	DHGD	
COc1ccc2oc(CNC[C@]3(C)C[C@H]3Br)cc2c1	856810488	YIKQQMLCYOVWTO-CABCVRRESA-N	324.218	3.705	50	20	DHGD	
COc1cc(CNC[C@@]2(C)C[C@H]2Br)ccc1Cl	858196415	PQRGWAYFGZOMSD-CHWSQXEVSA-N	318.642	3.612	50	20	DHGD	
CCc1onc(C)c1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	899338770	QZIBDFCFAJXNEF-ZROIWOOFSA-N	309.369	3.708	50	20	DHGD	
CO[C@@H]1CCCCC1=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	915952935	ZOFJLTBMFAYYRE-SMDDNHRTSA-N	320.458	3.548	50	20	DHGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1	917142482	FHHNVGLQMGTVRL-WUXMJOGZSA-N	324.321	3.770	50	20	DHGD	
CC(CCc1ccc(F)cc1)=NNC(=O)c1ccccc1F	917534338	HNBLOGMWQUNAMI-UHFFFAOYSA-N	302.324	3.703	50	20	DHGD	
Cc1ncc([C@H](C)NC(=O)NNc2ccc(Cl)cc2C)s1	923622600	MCOIQOJDMWJDER-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2Cc3ccc(C)cc3S2)c1	1248574750	ZGSXINHBCLJQRO-QGZVFWFLSA-N	312.438	3.772	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1ccc(C(C)(C)C)nn1	1319955292	PXWUPKNYLWTWHV-ZDUSSCGKSA-N	306.454	3.824	50	20	DHGD	
O=C(Nc1ccc(N2CCCC2)cn1)c1cccc(CCl)c1	1337157057	GCULVVGPGWWETP-UHFFFAOYSA-N	315.804	3.673	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1cccc(Cl)c1	44999849	MKBSCOKILOAVIJ-UHFFFAOYSA-N	300.789	3.515	50	20	DHGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)c2ccsc2)c1C	55040644	SPRGSFHIWPTJHU-CXUHLZMHSA-N	314.410	3.603	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC(C(F)(F)F)CC1	88418624	JVHFJNKSINUAHT-UHFFFAOYSA-N	305.727	3.840	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@@H](C)O1	111010464	HXTQOWKZJVVACC-MGPQQGTHSA-N	317.520	3.726	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)s1	121733839	GFJSCZAEPDSKIE-GVIGZQTCSA-N	312.394	3.541	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc(-c3ccco3)sc2C)cc1	127993234	OLFZMZIXZOOFQP-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
CCN(C[C@H](C)CBr)[C@@H](C)c1ccc(C#N)cc1	133657296	PFTAUUOWNKHVRW-OLZOCXBDSA-N	309.251	3.972	50	20	DHGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1ccccc1F	153196359	LALUMWQHSMKCBA-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1ccc(F)cc1C	160708860	LUDSOMGYKDKVOB-HNNXBMFYSA-N	320.339	3.574	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	276710805	KDRXGSADPBTXER-ZDUSSCGKSA-N	323.318	3.569	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(COCCOC)cc1	289822573	CFEZMLYRMNBRMO-BRYHAGSVSA-N	315.413	3.762	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1ccccc1C	490973765	MEAFDJMZYXVLNV-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCCCOc1ccc(NC(=O)/C(C#N)=C\OCC)c(C)c1	491005854	CBOAKQRNFBAFGP-OWBHPGMISA-N	302.374	3.556	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)NCC2CC2)c1	729637765	UBMWJAFHVGTOLI-UHFFFAOYSA-N	307.397	3.705	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@@H](C)C2	741469780	NAUDQTDOHJNGON-FJPKCYBQSA-N	313.397	3.931	50	20	DHGD	
O=C(CC1(O)CCCC1)NN(c1ccccc1)c1ccccc1	746111657	BVBKDBKVMQSKJV-UHFFFAOYSA-N	310.397	3.551	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1cccc(C#N)c1	747643273	DSTBTJXSQYRXQL-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)[C@@H](C)c1nc2ccccc2s1	748777769	DWHLHDFAJDARIN-LLVKDONJSA-N	324.409	3.601	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@]12CCc1ccccc12	749284311	QWJOCWUHNLPEQL-AEFFLSMTSA-N	312.800	3.687	50	20	DHGD	
CSCC(=NNC(=O)Nc1ccccc1C)c1ccccc1	749446190	CUNXQJSUXRKZMR-UHFFFAOYSA-N	313.426	3.884	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C12CCC(CC1)C2	752662363	SALHIWFUFPOYJX-UHFFFAOYSA-N	316.298	3.868	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1c(C)cc(Cl)cc1C	756889243	IYZFHFAVNPJOMO-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1N1CCCC1)C1CCCC1	763354731	USZHZHOFEHNWED-UHFFFAOYSA-N	319.836	3.581	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1cc(C)ccc1F	768308310	XAGZIGSZEHNIGB-BBRMVZONSA-N	308.397	3.563	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCc2c(F)cccc21	768447445	LWFMHUMCHBXFAK-GFCCVEGCSA-N	314.198	3.524	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2ncccc21	770230979	DUVGVXZOSBXENY-LBPRGKRZSA-N	308.472	3.685	50	20	DHGD	
Cc1ccc2cc(C(=O)OC[C@@H](C)CBr)ccc2n1	770403427	ILXGXZDUYKJBDO-JTQLQIEISA-N	322.202	3.731	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)c1cc(F)cc(F)c1	772175274	IIQQYCQDXKDZCF-PQMHYQBVSA-N	312.250	3.765	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)n1	773153813	NYYSQGKMRHPCKH-POHAHGRESA-N	306.152	3.517	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)c1ccc(F)cc1	785345700	RPLMJZGIKAIGIA-RERGGYADSA-N	323.323	3.547	50	20	DHGD	
C=C(CBr)CN1CC[C@@H](C(F)(F)F)C1(C)C	791543512	WFTMMFMORVVVHN-SECBINFHSA-N	300.162	3.600	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	796402547	STNDIVJLZHJMEI-JTQLQIEISA-N	322.796	3.659	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)CCCC1CCCC1	798311557	CONUHEODVDWVGV-UHFFFAOYSA-N	303.406	3.508	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1cc2c(s1)CCC2	799472434	OVEBGCZXJUDBBS-UHFFFAOYSA-N	312.385	3.778	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-n2cccn2)cc1	799760746	PTGVMYDTFVOSCQ-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccc(Cl)nc1	810460833	FEGZYJHDQHQQTF-YFHOEESVSA-N	322.195	3.935	50	20	DHGD	
C[C@H](CBr)CN1C[C@H]2CCCCN2c2ccccc21	815228297	TUKHQVPXWVDCOC-ZIAGYGMSSA-N	323.278	3.897	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CCC(F)(F)C2)cc1	838575139	RVRBEGNNCZUXLS-LBPRGKRZSA-N	311.376	3.872	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(F)ccc1OC(F)F	849177922	AEPOVGNLGBSNKI-UITAMQMPSA-N	301.239	3.651	50	20	DHGD	
COCCCCCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852523256	ZMEXBQDIIWKXMB-HNNXBMFYSA-N	301.547	3.899	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1cc(F)ccc1C	855368056	XWVXAUSJTNJREU-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	860630961	KCWBBAXFVGFCSZ-ZUEVXXBESA-N	309.413	3.813	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1F	864365957	HLMFBOPYPRUGDB-WEVVVXLNSA-N	301.239	3.651	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2cc(F)ccc2F)cc1C	885142957	OLDVXWJJESGLCE-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
CCc1onc(C)c1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	899338951	OUZNXQCPQSKEGO-NTEUORMPSA-N	309.369	3.708	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cncn2C(C)C)cc1	901418503	IAFJNFYZQFYXMU-OQLLNIDSSA-N	308.385	3.572	50	20	DHGD	
C[C@@H](CO)NN=Cc1cccc(S(F)(F)(F)(F)F)c1	905448590	HMMUWJOWXXFKPX-QMMMGPOBSA-N	304.284	3.648	50	20	DHGD	
Cc1ccc(C)c(OCCC(=O)NNc2ccccc2Cl)c1	912646162	CGWJPPYVFMXAHO-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCC(C)(C)C)cc1	913262567	APDZFKHLQQFLJI-NTCAYCPXSA-N	301.386	3.972	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccccc2Cl)cc1	916345997	RYRRZOJGAHGQMU-UHFFFAOYSA-N	318.829	3.891	50	20	DHGD	
CC(C)(C)c1ncc(C=NNC(=O)c2ccccc2Cl)s1	1115893929	JLJPMGASIGHSIT-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccn1C1CC1	1118006389	JPJGTSQLALUIOT-WYMLVPIESA-N	321.380	3.767	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)c(O)c1)C1CCC(F)(F)CC1	1336995317	PQYCKDZWSHROKI-UHFFFAOYSA-N	310.344	3.632	50	20	DHGD	
Cc1c(NNC(=O)/C(F)=C/C2CCCCC2)cccc1C(=O)O	1600050598	FIVRRAGQUMABGQ-UVTDQMKNSA-N	320.364	3.570	50	20	DHGD	
CC(C)(C)N(N=Cc1ccc(C(=O)O)cc1)C(=O)c1ccccc1	1776103235	ZMUPGXVHKQTHOO-UHFFFAOYSA-N	324.380	3.660	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1OC	40147456	WCQGCDCRCWQVCF-XNTDXEJSSA-N	317.385	3.733	50	20	DHGD	
O=C(NCc1ccccc1)NNc1ccccc1C(F)(F)F	53494465	UPVYUHQXUMXUFF-UHFFFAOYSA-N	309.291	3.532	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	127625033	XGRUOKBKQXHBFZ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
COc1cc(C(=O)NNc2cccc(Cl)c2)ccc1Cl	129223494	MBEWOZMKNPMKDN-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CSc2ccc(F)cc2)c1	150786338	YRQCNNUXHISLIT-UHFFFAOYSA-N	308.353	3.509	50	20	DHGD	
CCCOc1ccc(CCC(=O)NNc2ccc(C)cc2)cc1	158804066	AYTZTPZFFZUUQL-UHFFFAOYSA-N	312.413	3.860	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2cc(-c3ccccc3)on2)c1	158925638	AZNDCDUPRMVMBG-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2c(C)cccc2F)c1C	184382062	RRDNFJNGXOXOMB-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
O=C(Cc1cc(Cl)ccc1Cl)NNc1ccc(F)cc1	194748915	VSHNIIOUACUFTA-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OC/C=C\c2ccccc2)cc1	213358353	TVOXHFJHSYVLHI-PYMLHBSYSA-N	319.360	3.859	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C2CCC2)c1C	255843114	JBVZTYYIBIAMHD-ATVHPVEESA-N	313.445	3.823	50	20	DHGD	
CCCC[C@H](CCC)NC(=O)NNc1cccc(NC(C)=O)c1	297864037	IDKZIEJFFSFMAW-AWEZNQCLSA-N	320.437	3.630	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCCc2sccc21	377182884	NGHPDTMPEWEWJH-CQSZACIVSA-N	323.421	3.860	50	20	DHGD	
O=C(NN=Cc1csc(-c2cccs2)n1)C1CCCC1	728425174	DAMWKMLXUUHIRH-UHFFFAOYSA-N	305.428	3.512	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1cccc2ccccc12	728784576	HFDAQNKSOFFMBA-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)c1c[nH]c2ccccc12	730945749	QJGLJPVRPBIQGD-UHFFFAOYSA-N	311.410	3.968	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(Cl)nc1)c1cccc(F)c1	743817687	AHBXQEQMBRHFOX-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2ccccc2F)c(C)c1	748058487	BAPWXEJKIQCMOY-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc2occc2[nH]1	750924540	VHJRHEXXPLZPFW-UHFFFAOYSA-N	310.140	3.825	50	20	DHGD	
CO[C@@H]1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1(C)C	753311520	DVBWBTYKGKHZCG-YNEHKIRRSA-N	317.520	3.630	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	753313140	JLKNXQAHVZLCAR-UHFFFAOYSA-N	305.809	3.871	50	20	DHGD	
CCCCC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	755353424	HJBAOXDWVJRMHR-UHFFFAOYSA-N	311.385	3.697	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)c(F)c2)c1C	755404862	RXFSHGFBCIDVGJ-ZSOIEALJSA-N	310.328	3.694	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CCCc2ccc(C(C)C)cc21	763221801	MBOUTMABPIGOBC-QIPRVMPFSA-N	312.413	3.748	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)CCc1ccccc1O	764688094	XDQQSQYSFPBZEX-OAHLLOKOSA-N	302.418	3.643	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)OC2CCCCC2)c(C(C)(C)C)n1	769551474	NBDZCAWSXVHIPP-JLHYYAGUSA-N	315.417	3.500	50	20	DHGD	
Cc1cc(NC(=O)NNc2c(C)cccc2F)n(C(C)(C)C)n1	771120435	AXTBVOHDOBUULO-UHFFFAOYSA-N	319.384	3.543	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2CCCc3sccc32)ccc1[N+](=O)[O-]	771271901	AMQIYOISGRAWCQ-CYBMUJFWSA-N	317.366	3.990	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(Cl)c(Br)c1	776185110	FHKGZDGZEOOHFM-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3cc(F)ccc3s2)cn1	780154071	USEJGMQFSYNMTQ-WDZFZDKYSA-N	311.341	3.903	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)NN=c3cc[nH]cc3)CCCC2)cc1	781020808	FYZSASLCRSLQNS-UHFFFAOYSA-N	323.440	3.582	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](c2ccccc2C)C[C@@H]1C	790878010	KJONWKBVPNDIME-KBPBESRZSA-N	324.515	3.894	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c[nH]1	797398517	HZNWYEDBHLLCIW-WZUFQYTHSA-N	315.398	3.619	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3nccnc3C(C)C)c2c1	803226353	UQTBTOFSOAHSEI-UHFFFAOYSA-N	324.384	3.666	50	20	DHGD	
CC(C)(C(=O)NNc1ccnc2cc(Cl)ccc12)C1CC1	806357722	LRNPFDFSDFXMRL-UHFFFAOYSA-N	303.793	3.768	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccc(F)cc2F)CCC1	808246494	DJNXOUFGQNAHFM-UHFFFAOYSA-N	322.182	3.649	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1cc(Cl)ccn1	810942658	SJYWWILLSLWKKT-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)c1cnc2ccccc2n1	812242863	XEQANABJMBEFLW-JYRVWZFOSA-N	305.312	3.842	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@@H]1CCCCO1	812769280	ZPARLGYRTYZJNO-HNNXBMFYSA-N	304.434	3.911	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@H]2CCCCC23CCCC3)c1	813236543	MGHMZLDQBZZWNQ-INIZCTEOSA-N	312.417	3.687	50	20	DHGD	
CC[C@H](C=NNC(=O)c1c(C)nc2ccccn12)c1ccccc1	814718501	ZGSJABHPHNCERQ-OAHLLOKOSA-N	320.396	3.552	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(OC)cc1)c1ccc(C#N)cc1	814998725	VMTYNBVVBXXTKY-UHFFFAOYSA-N	322.368	3.503	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822556955	SVWBFPJNGMQREI-OTYXRUKQSA-N	311.769	3.518	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)nn1C(C)C	837053151	LMVMDFFFJMYKJZ-UHFFFAOYSA-N	300.406	3.653	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(CN)cc2)cc1	841322857	UKWLEWOFLACPMX-UHFFFAOYSA-N	312.417	3.591	50	20	DHGD	
COC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	853000387	AMSICOPMMGZUQU-OJNRTJSBSA-N	301.386	3.622	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](OC(C)C)c2ccccc2)cc1F	856226033	RSRJHYPTHZXCCH-QGZVFWFLSA-N	316.376	3.744	50	20	DHGD	
Cc1nc(-c2ccc(C(=O)NCCCSC#N)s2)cs1	868091752	MSQNMKSDMOGIEM-UHFFFAOYSA-N	323.468	3.514	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1F	917547520	UOHJYJGFLIGSNJ-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
C[C@H]1CCC[C@@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	918211605	PPSDCFRANSEFPG-WDEREUQCSA-N	315.339	3.910	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)C(=O)C(C)(C)C)c1	918713461	LKNAZOZIQLKGAA-JYRVWZFOSA-N	309.369	3.607	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cnn(C3CCCC3)c2)cc1F	925869570	HBMHAVFASBCCDS-UHFFFAOYSA-N	317.368	3.594	50	20	DHGD	
Cc1coc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1C	1323496211	WLPBXAMWRKCEOF-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CCCC[C@@H](C(=O)NNC(=O)c1ccccc1Cl)C(C)C	1328482037	JFLJVGZJEMRZPE-GFCCVEGCSA-N	310.825	3.563	50	20	DHGD	
C[C@H](CN(C)C)[C@H]1CCCCN1C(=O)c1cccc(CCl)c1	1337298266	DTCWLBNZDKSSKX-RHSMWYFYSA-N	322.880	3.618	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)co1)C(=O)c1ccc(F)c(Cl)c1	1601045805	PSCPKVJOLCSXMC-YCRREMRBSA-N	319.675	3.560	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2ccc(Br)cc2)c1	13111987	RBWRBAVQTUQHOZ-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc2cc(F)ccc2[nH]1	120438827	HYQRIEGQQAFQRJ-UHFFFAOYSA-N	323.371	3.943	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1	158882592	YCGUSCXWUMPNFN-BENRWUELSA-N	322.792	3.757	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	182988315	QICCSNGVXWTVFM-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(F)nc3)c[nH]c2c1	186404766	WRIURSBUWMMPHN-QPEQYQDCSA-N	305.312	3.800	50	20	DHGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)Nc1ccccc1	194924933	MBAGUKSUARJUAP-XYOKQWHBSA-N	322.755	3.533	50	20	DHGD	
COc1cccc([C@@H]2CCCN2C[C@H](C)CBr)c1	248788867	XTYIDZLRZVNGMQ-DOMZBBRYSA-N	312.251	3.863	50	20	DHGD	
CCN(Cc1ccccc1)c1ccc(C=NNC(=O)C2CC2)cc1	254845660	XXGFUSBLKZTQRQ-UHFFFAOYSA-N	321.424	3.573	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1	303848529	JRAVTFGYUSKSRY-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)COc1ccc(F)cc1	727257158	UZIUNTGWXYWABT-ZDUSSCGKSA-N	306.381	3.667	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)N(C)C1CCCCC1	732715823	AIZYERFVFPRZAY-RVDMUPIBSA-N	300.377	3.832	50	20	DHGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)C1CCCC1	732915630	DLGMWMQVZBBPNR-IBGZPJMESA-N	308.425	3.781	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccc(Cl)nc3)csc2C1	743816739	LFHNUGQZWZPQTP-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cccc(F)c2)cc1Cl	748089688	YMWCUNNOEMIDCQ-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc2cccnc12	748569527	IPIPHLPMLMOAFH-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)CCC(C)(F)F	748729940	DVBKXCLWRLRXIW-UHFFFAOYSA-N	321.165	3.636	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1csc2ccccc12	749745559	ROZWOKRWIOITOQ-UHFFFAOYSA-N	308.406	3.984	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1coc2ccccc12	752394404	XPDXVCGWIBXHMH-ZROIWOOFSA-N	320.323	3.795	50	20	DHGD	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)nc1	753202818	ZCOQQZVFSZJHDZ-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1Cl)c1ccccn1	758070654	SNBBBMGCQBEXQN-CYBMUJFWSA-N	313.788	3.789	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1Cl)c1cccnc1	758070747	VUXYGTAMKQULIB-CQSZACIVSA-N	313.788	3.789	50	20	DHGD	
CCC(CC)(CC)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	760265763	UYXLGOSSRSFDDU-UHFFFAOYSA-N	320.477	3.567	50	20	DHGD	
Cc1ccc(CC(=O)NNc2c(Cl)cccc2Cl)cc1	763608936	JAHSAPKOTSJLSC-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)c1cccc2ncccc12	767380632	XIFUGISFWHZNAW-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CCCOc1cc(F)ccc1NC(=O)NNc1ccccc1F	770068092	VTOTVPXVVOSSHZ-UHFFFAOYSA-N	321.327	3.902	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc3c(c2)CCC(=O)N3C)sc1C	774132844	YAYROUQKCVNCBZ-DHDCSXOGSA-N	323.421	3.733	50	20	DHGD	
CC[C@H](C)Oc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	775563143	VSLFGVXJYJXGED-ZDUSSCGKSA-N	324.384	3.884	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)Nc1ccc(C2CC2)cc1	775705326	ANUDEQPOIFWZFT-UHFFFAOYSA-N	319.368	3.656	50	20	DHGD	
Cc1ccc(Nc2ccccc2C(=O)NNc2ccccn2)cc1	777468001	RJYTZODNIIBYDS-UHFFFAOYSA-N	318.380	3.891	50	20	DHGD	
COCCC[C@@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	777881999	VOUDTMPHHCFNOO-MRXNPFEDSA-N	324.424	3.618	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(Cl)c(F)c2)cc1C	778392310	KFDFLCQJYUZGNL-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@](C)(c2ccccc2)C1	780224850	JKEVNYFDKCUXSC-FQEVSTJZSA-N	322.408	3.923	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	782368275	BQMTVBUYRFBORU-GHXNOFRVSA-N	319.286	3.835	50	20	DHGD	
Cc1nc2c(C(=O)NNc3nccc4sccc34)cccc2o1	792638550	CDCSBIUDUJWENT-UHFFFAOYSA-N	324.365	3.503	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1cccc(C)n1	794564299	IEYYINJPOUDPDX-UHFFFAOYSA-N	309.413	3.864	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CC[C@](C)(c3ccccc3)C2)n1	794566493	LLNVWFAADAHGQK-IBGZPJMESA-N	307.397	3.618	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NNc1cnccn1	803119008	LZUTYVINWGCEKV-TXKKKEFDSA-N	316.449	3.552	50	20	DHGD	
CC[C@@]1(C)COCCN1Cc1ccc(OCCCCl)cc1	811489464	CQGAVOCOHFKFJK-KRWDZBQOSA-N	311.853	3.695	50	20	DHGD	
CC(C)N(C)C[C@@H](C)NCc1ccc(OCCCCl)cc1	811516172	RUIAQSYSGZCZJO-OAHLLOKOSA-N	312.885	3.513	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1OC(F)F	811688788	RUQVGTRXUILGHH-USTLKGCXSA-N	320.339	3.667	50	20	DHGD	
COc1ccc(NNC(=O)C[C@H]2C=CCC2)c(C(F)(F)F)c1	816702985	KKXNLMCSAOXFHF-JTQLQIEISA-N	314.307	3.513	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)cn2)c(Cl)c1	836934948	KYEARTNZVBJFIK-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
Cc1oncc1CN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844348569	ALQSDLKLLZVDQO-OAHLLOKOSA-N	310.514	3.969	50	20	DHGD	
C=C[C@H](CC(=O)NC[C@]1(C)C[C@H]1Br)c1ccccc1	857396210	ZLJPTCUYWARSCA-XPKDYRNWSA-N	322.246	3.636	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc3ccc(C(C)(C)C)cc3[nH]2)n1	862524743	TWBZGAXHNDCPCF-UHFFFAOYSA-N	322.412	3.926	50	20	DHGD	
O=C(CCCC1CCCCC1)NNCC(F)(F)C(F)(F)F	863090292	GXAAEQAFBGGXJY-UHFFFAOYSA-N	316.314	3.555	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)CCc1ccc(C(C)C)cc1	916146728	YKRGXICFLVBWSX-UHFFFAOYSA-N	324.424	3.512	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(CC(C)C)cc1	916263614	NMFMADSAAATKGN-UHFFFAOYSA-N	309.413	3.621	50	20	DHGD	
CCCn1cccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	918184852	UCBFXFSZHUWYFN-SUCHYCSPSA-N	307.397	3.682	50	20	DHGD	
Cc1cc(NNC(=O)c2nc(C(C)C)oc2C)ccc1Cl	928339207	ASIZEWGJWJUNDP-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
CC[C@H](COCC(F)(F)F)NC(=O)c1cccc(CCl)c1	1353702162	YHJAOTCTFOFSMS-GFCCVEGCSA-N	323.742	3.513	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(Cl)cc1F	1355127896	IRCJKEHSHVUENJ-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)C1C(C)(C)C1(C)C	1776045005	FAULFNQMEGYUCY-UHFFFAOYSA-N	317.389	3.564	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776682891	HFEZDKPGWQJCCU-YHYXMXQVSA-N	307.296	3.575	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccccc1OCC1CC1	92765071	HVNGLLDWGQTBRG-UHFFFAOYSA-N	315.348	3.763	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)Nc1nccs1	96919821	KOUUFFFEEZDSCO-LUAWRHEFSA-N	323.377	3.997	50	20	DHGD	
CC(=O)c1csc(C(=O)NNc2cccc3c2CCCC3)c1	120176032	WZFMIBKDYGBIQT-UHFFFAOYSA-N	314.410	3.586	50	20	DHGD	
Cc1cc(Cl)c(NC(=O)NNc2ccncc2)cc1Cl	122276979	BWZOCNCQWSLHAF-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(c2ccccc2)CC1	175412592	LVDGWJWQGRERHJ-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2ncsc2c1	194267273	VSOVNWZRRMAAQH-KPKJPENVSA-N	321.361	3.548	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)c1	211494074	MABGCJBCXDEJHE-UYRXBGFRSA-N	304.393	3.569	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	255179913	GAWNBYMZKWSOIT-VBKFSLOCSA-N	324.336	3.684	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)c(F)c1	255503703	OEWRSMALRRZEPX-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	727975441	XWMUSUVWLHMDMN-KPKJPENVSA-N	310.319	3.707	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(F)c(C)c2)cc1	729143915	NSDYYZDPFWUOLP-UHFFFAOYSA-N	316.401	3.685	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)c2cc(Cl)ccc2O)CC1	729635521	YBLRWSHMFKYDOW-UHFFFAOYSA-N	308.809	3.978	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2cccc3ccccc23)C12CCC2	741465116	CZDYAWXECUPKNX-SFHVURJKSA-N	322.408	3.905	50	20	DHGD	
COc1cc(OC)c(NC(=O)NNc2ccccc2)cc1Cl	743805270	RFWGGZPDRDFDPY-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
CCC(CC)(CNC(=O)NNc1ccccc1Cl)SC	745908846	SEFQAMOXWYKCSO-UHFFFAOYSA-N	315.870	3.888	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2cccc(F)c2)cc1	748090362	LYYSTWGSYGTBIS-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
CSCC(=NNC(=O)c1cc2ccccc2o1)c1ccccc1	749822967	FUTXRRKMWAPGFF-UHFFFAOYSA-N	324.405	3.930	50	20	DHGD	
CCCCCCC[C@@H](C)CNC(=O)NNC(=O)c1ccc(C)o1	752363809	YQPCXQWIZYASCD-CYBMUJFWSA-N	323.437	3.529	50	20	DHGD	
CN(NC(=O)c1cc2cccc(Cl)c2o1)c1ccccc1	753330512	NIIFHIYVKFRVLG-UHFFFAOYSA-N	300.745	3.867	50	20	DHGD	
CC(C)(C)C=NNC(=O)CSc1nc2ccccc2s1	755510756	LMQLLAOVCNTMEI-UHFFFAOYSA-N	307.444	3.537	50	20	DHGD	
CCc1nc(C=NNC(=O)Nc2ccc(C)cc2Cl)cs1	755741691	BDBOCWQVUOQHNH-UHFFFAOYSA-N	322.821	3.823	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756018291	UUUBVSGCUZTJAP-BFHYXJOUSA-N	317.389	3.644	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)[C@@H](CC)c1ccccc1	765575895	JKAKJHUZMTZABL-KRWDZBQOSA-N	309.413	3.678	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1ncnc2ccsc12	766676915	TWWPNTQVUPVOQZ-UHFFFAOYSA-N	306.435	3.741	50	20	DHGD	
CC(C)c1cc(NC(=O)NNc2c(F)cccc2Cl)no1	771157469	GWFVCFJSOGSWMR-UHFFFAOYSA-N	312.732	3.739	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1cc2c(s1)CCC2	771872565	XCKVODJMGQSKEE-UHFFFAOYSA-N	310.831	3.716	50	20	DHGD	
CC(Cc1ccc(Cl)cc1)=NNC(=O)c1cccc(C#N)c1	773210269	YRRFHOIOPKAOOO-UHFFFAOYSA-N	311.772	3.560	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1CCCCCCC1	775265926	YWYSCQCWODOVSO-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2Cl)nn1[C@@H](C)C1CC1	777418600	RZTSOJUEHOZLOH-NSHDSACASA-N	318.808	3.573	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)nn1[C@H](C)C1CC1	777522741	DIQUWHHIDHDBFR-LLVKDONJSA-N	318.808	3.573	50	20	DHGD	
COc1ccc(NNC(=O)C=C2CCC(C(C)(C)C)CC2)nc1	781519219	RHKIGZXIAAJJNC-UHFFFAOYSA-N	317.433	3.696	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@H]2CCCC[C@@H]2C)o1	783837874	QSLHEFLFTNUDBM-LSDHHAIUSA-N	319.449	3.663	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cc(C)ns2)c(Cl)c1	785457802	SKYKMOUHSXRBQP-UHFFFAOYSA-N	308.794	3.569	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(C2CCC2)cc1	786226886	LLMWAEHOGKNFPQ-UHFFFAOYSA-N	303.406	3.543	50	20	DHGD	
Cc1cccc2c1CCCN2C(=O)/C(C#N)=C\c1ccc(O)cc1	787370388	QCGLVQCWVWXZCJ-VBKFSLOCSA-N	318.376	3.587	50	20	DHGD	
CSC1(C(=O)NNc2c(Cl)cccc2Cl)CCC1	787439380	BELXFHXUHAUMNI-UHFFFAOYSA-N	305.230	3.722	50	20	DHGD	
CSSCCNC(=S)Nc1ccc(F)c(Cl)c1	789323410	BSMILGUWXGOMIN-UHFFFAOYSA-N	310.872	3.777	50	20	DHGD	
N#CCOc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1	790228118	NLOHZEBDGZNKHX-XNTDXEJSSA-N	312.332	3.596	50	20	DHGD	
CC[C@H](C)CC(=O)NNc1ccc(Br)cc1Cl	790803472	IUKISXKEJGLKIU-QMMMGPOBSA-N	319.630	3.982	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(O)cc1F	791734458	VFNNGHGXNQQYAQ-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(OC)c(F)c1	799387866	QWEJXRPDPDDTGD-UHFFFAOYSA-N	317.364	3.854	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cccc(Cl)c1	799758254	DKWPUOSUHRVMOL-UHFFFAOYSA-N	302.805	3.897	50	20	DHGD	
C[C@@H]1CC(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C[C@@H](C)C1	802015252	GQVIJYMZVLQXGI-QWRGUYRKSA-N	323.824	3.565	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ncccc1C(F)(F)F	806900999	SVVOXROUCRKNRU-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)c1ccccc1Cl	808248602	OMTJYTWYKMXHMD-UHFFFAOYSA-N	308.636	3.880	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCCN2c3ccccc3C[C@@H]2C1	810051955	PRLGVOCXYRDUKG-YBCYLVPRSA-N	315.420	3.688	50	20	DHGD	
CCSc1cccc(F)c1NC(=O)NNc1ncccc1F	810328731	AEYKDKVTFZCRRU-UHFFFAOYSA-N	324.356	3.620	50	20	DHGD	
CC[C@@H](C=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	814732253	FJOCYGWHJBSXFQ-HNNXBMFYSA-N	309.413	3.662	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)c(OC)c2)cc1	817885513	BIMGVLYTJXZETD-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
Cc1ccc(NNC(=O)C2CCC(F)(F)CC2)c(Cl)c1	836937964	SSPFZVNJGCHVBV-UHFFFAOYSA-N	302.752	3.917	50	20	DHGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)NNc1c(C)cccc1C(C)C	838699678	ANWMIMQDUGJOQP-GUYCJALGSA-N	319.449	3.558	50	20	DHGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1cn(C(C)C)nn1	840722096	HCNCROBEOVIHNH-OQLLNIDSSA-N	320.400	3.854	50	20	DHGD	
Cc1cc(/C=C(/C#N)n2c(C(C)C)nc3ccccc32)nn1C	840722683	NEATXRDIJFKWLQ-GDNBJRDFSA-N	305.385	3.723	50	20	DHGD	
CNCc1cccc(NC(=O)NNc2ccc(C(C)C)cc2)c1	841312960	KSQRZFYPHWTRDK-UHFFFAOYSA-N	312.417	3.678	50	20	DHGD	
O=C(C[C@H]1CCCOC1)NNc1ccccc1Cc1ccccc1	846460851	GNGOKKGPTYLTHI-QGZVFWFLSA-N	324.424	3.537	50	20	DHGD	
N#CSCCCNC(=O)CCCCCc1ccc(F)cc1	854361053	LSJFRVOBWOTYPK-UHFFFAOYSA-N	308.422	3.649	50	20	DHGD	
CC(C)(C)c1cnc(CNC[C@@]2(C)C[C@H]2Br)s1	856809114	JOCCLDGRPPNOBL-NOZJJQNGSA-N	317.296	3.704	50	20	DHGD	
CC1(CC(=O)NC[C@]2(C)C[C@@H]2Br)CCCCC1	857395423	XQXIDPWRNPXYHI-FZMZJTMJSA-N	302.256	3.637	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2cc(Cl)ccc2F)C1	871271525	QVMFQYMVSAVMLX-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1ccc(F)cc1F	917506672	DXQPBLBNTPOHSU-UHFFFAOYSA-N	308.353	3.834	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNC(=O)c1cccc(Cl)c1	919678988	JWCCPZPBNMCKBF-UHFFFAOYSA-N	322.817	3.600	50	20	DHGD	
CC(C)c1ccc(CNC(=O)NNc2ccc(F)cc2)cc1	919923098	KISHYLZMILQOAN-UHFFFAOYSA-N	301.365	3.775	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2ccc(C)c(Cl)c2)ccc1C	1344097395	DQEVWJHFDXAGLB-UHFFFAOYSA-N	316.788	3.916	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC=C(C)C)c1C	1345704616	YRYVCQBNIJPDLB-GZTJUZNOSA-N	300.402	3.931	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc(OCC2CC2)cc1	55185967	GXQQYLBZRXOSJS-UHFFFAOYSA-N	316.788	3.886	50	20	DHGD	
CC(C)(C)OC(=O)n1ncc2ccc(CBr)cc21	95627162	LWOQACBYPFPPJR-UHFFFAOYSA-N	311.179	3.714	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)OC(C)C)s2)cc1	114991244	HTXJGYKVLPHJDP-ZSOIEALJSA-N	312.394	3.977	50	20	DHGD	
CCCc1csc(NC(=O)NNc2c(F)cccc2F)n1	121273392	XQVCEGRMPXLINH-UHFFFAOYSA-N	312.345	3.522	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	131249480	IYAMJJDISCPMGK-UHFFFAOYSA-N	308.303	3.525	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	131630557	QKIDFTCHJDASCW-LUAWRHEFSA-N	321.302	3.647	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccccc1F)c1ccc(OC)cc1	152739591	BPZOXGCNUKEPFV-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1	178957373	LNSOPDYHFKLXIO-WYMLVPIESA-N	323.352	3.565	50	20	DHGD	
CS[C@@H](C(=O)NNc1ccc(F)cc1C)c1ccccc1	179013323	PCFBTBLPHWSXCC-OAHLLOKOSA-N	304.390	3.682	50	20	DHGD	
CCc1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)s1	182199759	HROGKWQZSYJZHY-LCYFTJDESA-N	314.385	3.673	50	20	DHGD	
CC(C)Cc1csc2nc([C@@H](C)Br)[nH]c(=O)c12	184759218	BUIZXJMCSLHWJK-SSDOTTSWSA-N	315.236	3.639	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(Cc2cccc(F)c2)CCC1	185554391	BCQSVQUBJNAIKN-UHFFFAOYSA-N	316.351	3.821	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ccccc1OC(F)(F)F	190153661	FSKQQLHLBNENMH-UHFFFAOYSA-N	314.307	3.797	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1cc(Cl)ccn1	272562228	XVYZEYJPPCZGEB-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC=C(C#N)CC1	272665557	PJYAKRWUIOMQNM-NSHDSACASA-N	314.776	3.607	50	20	DHGD	
CC1(CC(=O)NNc2ccc3c(O)nccc3c2)CCCCC1	285572731	CWSBFYUZGSGIAX-UHFFFAOYSA-N	313.401	3.744	50	20	DHGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)Nc1ccccc1F	491006483	DJUOASQAUIBJAS-XFFZJAGNSA-N	313.357	3.705	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2sccc2Cl)c1	491048925	LXJQJPUVLMEUOA-JXMROGBWSA-N	318.785	3.956	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cnc(-c2cccs2)s1	493007846	DBWZILSGRDAXLW-UHFFFAOYSA-N	309.416	3.730	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CC[C@@H]2CCCC[C@H]2C1	729935037	IUTCVPAFLVSQJM-HOCLYGCPSA-N	314.429	3.787	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccccc1Cl)c1ccccc1	731153536	QRJVFLYCMHLIBD-UHFFFAOYSA-N	300.789	3.768	50	20	DHGD	
O=C(NN=C[C@@H]1CC=CCC1)Nc1ccc(OC(F)F)cc1	741770283	CTXPZHLXMQPLMQ-LLVKDONJSA-N	309.316	3.752	50	20	DHGD	
O=C(NN=Cc1ccsc1)Nc1ccc(OC(F)F)cc1	741771545	NXLJOCMLFWSNAP-UHFFFAOYSA-N	311.313	3.505	50	20	DHGD	
O=C(NN=Cc1ccccc1Cl)c1ccc(Cl)cc1F	747645258	AUEJLEWDEKDGKI-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
Cc1ccc(Br)cc1C(=O)NNc1ccccc1F	748057343	RGJHAMRTKUJWMA-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COc1ccc([C@H](C)C(C)=NNC(=O)c2ccc(C)o2)cc1	752175021	LYDCLAAMLMAZRS-GFCCVEGCSA-N	300.358	3.506	50	20	DHGD	
CN(NC(=O)c1cc(F)cc(C(F)(F)F)c1)c1ccccc1	755679189	YVVRBLICYINYGG-UHFFFAOYSA-N	312.266	3.626	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1ncnc2ccsc12)C(C)C	766674662	XKGXIQJVCYNMPM-GFCCVEGCSA-N	320.462	3.987	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)OC[C@@H](C)CBr)cc2c1	770315503	DXKBACUWNRIHAT-JTQLQIEISA-N	310.191	3.664	50	20	DHGD	
Cc1nc(NC=C(C#N)C#N)sc1Cc1c(F)cccc1F	772177153	QPBITNPZVKFGLN-UHFFFAOYSA-N	316.336	3.663	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNC(=S)Nc2cccc(C)c2)CC1	782661929	VHSYSHIOQYZLSZ-HDJSIYSDSA-N	319.474	3.529	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc2ccccc2[nH]1)c1ccccc1	788430251	UIDVTZCBKOTMRR-UHFFFAOYSA-N	305.381	3.596	50	20	DHGD	
CCCOc1ccc(CNC(=O)NNc2ccccc2)c(C)c1	788869905	JXPABWXXWVOVPV-UHFFFAOYSA-N	313.401	3.610	50	20	DHGD	
CSSCCNC(=O)NC[C@H](c1ccccc1)C(C)C	790671681	UMNDDWNNARXLMJ-AWEZNQCLSA-N	312.504	3.737	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1c(F)cccc1Cl	790757832	CIOOBEHXMWBENZ-QMMMGPOBSA-N	322.858	3.851	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797399658	VRPUXNLDCNBDQH-UITAMQMPSA-N	306.822	3.892	50	20	DHGD	
COc1ccc(NNC(=O)Nc2cc(C)c(Cl)c(C)c2)nc1	799520379	WTCJXUQKUULLMU-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1CCC[C@H]2C[C@@H]12	800807860	ITLRFMMMOBELKS-SMDDNHRTSA-N	306.406	3.600	50	20	DHGD	
Cc1ncc(COC(=O)CCCC[C@@H]2CCSS2)cn1	803252896	FJDOZQJULRPWFC-CYBMUJFWSA-N	312.460	3.542	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NN(CCC)C(=O)OC(C)(C)C	804595898	NYZWZAZZQXQDHH-LBPRGKRZSA-N	318.483	3.587	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(C(C)(C)O)cc1)c1ccccc1	807971283	PQNPPIXXGMOBGH-SFHVURJKSA-N	324.424	3.558	50	20	DHGD	
CN(NC(=O)NC[C@@H]1CCCCC(F)(F)C1)c1ccccc1	814340732	KKWCORMWDFXOPD-CYBMUJFWSA-N	311.376	3.553	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@H]3C3CCC3)n[nH]2)cc1	814804996	NQEPMDIJALRBOB-HNNXBMFYSA-N	322.412	3.681	50	20	DHGD	
COc1cc(NNC(=O)c2oc(C(C)C)nc2C)ccc1Cl	816524341	BMSYLJONEZLZSU-UHFFFAOYSA-N	323.780	3.525	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1cc(Cl)nc(Cl)c1	819748213	YFJMEJZGGOHLEH-OQPBUACISA-N	302.205	3.658	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2cccc(C3CC3)c2)nc1	836502884	IJKJIUJSFIZKBY-ZDUSSCGKSA-N	310.401	3.655	50	20	DHGD	
CCn1c(C)nnc1SCCO[Si](C)(C)C(C)(C)C	840193545	FXQCSRFUDNEEKB-UHFFFAOYSA-N	301.532	3.720	50	20	DHGD	
CCC(=NNC(=O)c1cccc(OC(F)F)c1)[C@H]1CC1(C)C	841622926	CMWAHWYEGUXAHJ-GFCCVEGCSA-N	310.344	3.830	50	20	DHGD	
C#CCCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378270	FLBOOKCTJCZWMC-UHFFFAOYSA-N	304.699	3.605	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3ccnc(Cl)c3)CC2)c1	855469003	PMWWXZUCMLVYAE-UHFFFAOYSA-N	315.804	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1F	856230354	MZWAZOIPUADNHO-STQMWFEESA-N	304.390	3.751	50	20	DHGD	
C[C@H](CNC[C@]1(C)C[C@H]1Br)c1ccc(F)cc1	856809264	LMBFJDNEVCDODW-HONMWMINSA-N	300.215	3.692	50	20	DHGD	
CC[C@@](C)(NC[C@@H](CBr)C1CC1)C(F)(F)F	859196718	DYPFLPHXUREBBD-NXEZZACHSA-N	302.178	3.728	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)CCc2ccc(O)cc2)cc1	916329600	PGRWSNRIRYEMMK-UHFFFAOYSA-N	310.397	3.693	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccs1	916336796	OZFUAPYLTJUVPW-ZDUSSCGKSA-N	324.405	3.819	50	20	DHGD	
CC(C)(C)c1ncc(C=NNC(=O)c2ccc(Cl)cc2)s1	920355427	ALTIBPQQLWJYLJ-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C1(C(F)(F)F)CCC1	928336775	CAVARNVCKJUAFI-UHFFFAOYSA-N	306.715	3.824	50	20	DHGD	
Cc1ccccc1[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	935454705	RNNBXVJDTXLIIU-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
C[C@H]1C[C@H](CCNC(=O)c2cccc(CCl)c2)C[C@@H](C)O1	1347070319	WUHQZSBDXCYJBA-BTTYYORXSA-N	309.837	3.749	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C#N)cc1	7160069	WHUJQUMAJQQOJY-LFIBNONCSA-N	317.348	3.503	50	20	DHGD	
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)NC1CC1	7163964	QGMVBAWJCOJFIC-RVDMUPIBSA-N	304.349	3.664	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccccc1[N+](=O)[O-]	116162235	ONLNKFSXUFVQMY-ZDUSSCGKSA-N	313.357	3.540	50	20	DHGD	
CN(Cc1cccnc1)C(=O)CCCC[C@@H]1CCSS1	123033005	MZGYRGROWPRMJL-CQSZACIVSA-N	310.488	3.754	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)cc1	128882831	QXQGXLZRFJWSDF-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1ccccc1C(F)(F)F	129953678	MDYICGJMTBEVOR-WEVVVXLNSA-N	323.299	3.708	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccncc1Cl	135874478	GCVAGSGVMDXYGG-YFHOEESVSA-N	322.195	3.935	50	20	DHGD	
CCC1(C(=O)NNc2cccc(Br)c2)CCCC1	152176541	WKGRIDKBGVJDHL-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
C=C(C)COc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	159333407	VHVAXSCCTVFZPY-UHFFFAOYSA-N	322.368	3.662	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1c1cccc(C)c1C	159735854	JTWSLLVMXDMRNL-ZUTYSQTGSA-N	312.413	3.801	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cnn(-c2ccc(F)cc2)c1	170838566	GKYMHKBDUKYVNF-RIYZIHGNSA-N	321.311	3.703	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ncccc2Cl)cc1	176160081	OHMPUFGNLPEHJV-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
CSCCCCCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	184362555	DUUGEFXCDJBLOL-QINSGFPZSA-N	320.433	3.772	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(OCC(F)(F)F)cc1	188975627	WVBCKRFAMGVKTH-CQSZACIVSA-N	316.323	3.673	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cn1	191335665	MPWQFGUGVMMMJX-MHWRWJLKSA-N	322.368	3.819	50	20	DHGD	
C=CCSCCNC(=O)CCCC[C@H]1CCSS1	194499362	VZXDBPWUZTUESY-LBPRGKRZSA-N	305.534	3.736	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccc(C)o2)c1	252626043	QUZOMXNIEXYKIT-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2c(C)cccc2C)cc1	255868181	ZJHJCXDQJFTVPJ-BOPFTXTBSA-N	320.392	3.535	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H](c2ncc[nH]2)C1	377583461	IJLBUEGGDAZVMM-CQSZACIVSA-N	309.530	3.611	50	20	DHGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	588393691	VWSUZDJIYQOOEX-FBJMNJBLSA-N	308.356	3.919	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1	588555111	FSCWHWAMNVAKFV-XFFZJAGNSA-N	324.452	3.561	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)Cn2ccc3ccccc32)o1	729638426	LHAVKEDLMGTNKC-BBRMVZONSA-N	321.380	3.508	50	20	DHGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)c1ccccc1C	730553119	SKQBTWLMQLDFIP-UHFFFAOYSA-N	316.788	3.811	50	20	DHGD	
O=C(NN=Cc1ccc[nH]1)Nc1ccc(-c2ccccc2)cc1	741766307	UNWWVRUTNPKXMG-UHFFFAOYSA-N	304.353	3.837	50	20	DHGD	
Cc1ccc(Br)cc1C(=O)NN(C)c1ccccc1	743291096	GCFPXJIRMFWSPV-UHFFFAOYSA-N	319.202	3.539	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1cn(C)c2ccccc12	744781435	WELQWIXBCMOXJG-UHFFFAOYSA-N	319.408	3.917	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(F)cc2Br)CC1	748073572	LKMDCPIYMAVXMX-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)CCc2ccccc2O)CC1	751528325	DNZVSUKDSJHNBD-UHFFFAOYSA-N	302.418	3.787	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cc3c(s2)CCCCC3)[nH]1	760242344	RKJKEGGHPVONOF-UHFFFAOYSA-N	315.442	3.726	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764811337	YZGQLBVSNPWVIL-UHFFFAOYSA-N	314.364	3.678	50	20	DHGD	
O=C(NN=CC1CCC(C(F)(F)F)CC1)NC1CCCCC1	767366037	JFQJWBZLQWZTJR-UHFFFAOYSA-N	319.371	3.973	50	20	DHGD	
CCC[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768506844	IJSZRCDECNNCJA-AWEZNQCLSA-N	308.385	3.590	50	20	DHGD	
COc1ccc(SCCCC(=O)NNc2ccccc2)cc1	780948556	NVUFINQERQLYQT-UHFFFAOYSA-N	316.426	3.711	50	20	DHGD	
CC1(C=NNC(=O)COc2ccccc2Cc2ccccc2)CC1	782133060	PPVKGQQHLRJAMK-UHFFFAOYSA-N	322.408	3.558	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2scnc2C2CC2)c1	782305040	FSMXTARBQGFOPP-JYRVWZFOSA-N	310.378	3.819	50	20	DHGD	
CCCN(N=C1[C@@H]2CCCO[C@H]2C1(C)C)C(=O)OC(C)(C)C	794997558	YGXPMMGMIKGQTA-GXTWGEPZSA-N	310.438	3.825	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(Oc2ccccc2)cn1	799705171	RSIMWVYKOPAZNX-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)c(-c2cnn(C)c2)c1	801648301	XDINYLGEUMXBLU-DHDCSXOGSA-N	307.397	3.918	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H]1CCCC[C@H]1C	805385959	BPLCXZGXBDIMNB-DGCLKSJQSA-N	305.378	3.563	50	20	DHGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1ncccc1Cl	810405659	ITTDPLSAIKSAPS-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCOCC1CCC1	813137702	QFWYGAZQIDNKBV-UHFFFAOYSA-N	319.449	3.561	50	20	DHGD	
Cc1cc(Br)ccc1/C=C(\C#N)C(=O)C(C)(C)F	834446823	DDCQPFXEMLBXSI-YRNVUSSQSA-N	310.166	3.982	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)C1CCCC1	840547309	KPRAVDURFYDVSV-JTQLQIEISA-N	310.829	3.523	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCC(C)=C(C)C1	842704945	FYIGCASLTRFVCI-GFCCVEGCSA-N	305.330	3.645	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccnn2CC2CC2)c1C	849179892	SZXKTPMLISVPQQ-YBEGLDIGSA-N	305.381	3.700	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cccc(F)c1Cl)c1cccnc1	862507083	UNXQQLVEIGWBEG-CQSZACIVSA-N	321.783	3.757	50	20	DHGD	
Cc1nccnc1COC(=O)CCCC[C@H]1CCSS1	869326214	OWIHJSVFQNSBQD-LBPRGKRZSA-N	312.460	3.542	50	20	DHGD	
COCc1cccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)c1	899893416	PTZVWOJTZZPCMQ-UHFFFAOYSA-N	315.325	3.577	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1	912583067	TZQXJPXZASNDFN-HVHJFMEUSA-N	320.509	3.651	50	20	DHGD	
COc1ccc2cc(C(C)=NNC(=O)C3CCCC3)ccc2c1	914836152	BQRBCXVLLYCETN-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
CC(C)c1ccc(CCNC(=O)NNc2cccc(C#N)c2)cc1	915900496	VLHBTBJABIPOTD-UHFFFAOYSA-N	322.412	3.550	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cc2c(s1)CCC2	916315005	CTTMLNRNZDWONM-SYQHCUMBSA-N	314.454	3.779	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CCSc2ccc(Cl)cc21	917551794	YFPOTCJRPQEXHY-UHFFFAOYSA-N	322.739	3.609	50	20	DHGD	
CCCCCCC(C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	917579006	RFBOJLDOJAIRLM-UHFFFAOYSA-N	317.433	3.704	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CC[C@@H]2CCCC[C@@H]2C1	920376428	SOIYVSLQFCVFNB-LSDHHAIUSA-N	314.429	3.700	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1cccc(C(F)F)c1	1116705477	JRXICYQTFYHQEJ-UHFFFAOYSA-N	323.318	3.898	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc2c(c1)CCN2C	1253479229	UOVOEFVSNUFWLJ-SFQUDFHCSA-N	302.377	3.777	50	20	DHGD	
Cc1nc(-c2cccc(NC(=O)C3CCC(Cl)CC3)c2)no1	1548633341	RJOYIAOKBJVEPZ-UHFFFAOYSA-N	319.792	3.781	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)co2)cc1Cl	1777433645	PPMMVPCZPRRQRD-WCIBSUBMSA-N	315.712	3.730	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)cc1)C(=O)N1CCCC1	3361374	GHOVSLOFONLEMS-XMHGGMMESA-N	302.377	3.883	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1F	6951649	SLDMOQLEDXTEFD-KAMYIIQDSA-N	310.328	3.770	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1ccc(F)cc1	45080550	QMJMADZVNZZPQO-LBPRGKRZSA-N	304.390	3.591	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1c(C)nn(C)c1Cl	128115490	GOKHWBVOSVKQFB-POHAHGRESA-N	305.790	3.542	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(F)cc3cccnc23)c1	159444889	GMYVHMGWSNZOAB-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC=CCC2)c1C	172489338	HXTKOUXPLJKBPA-XCMFGDQWSA-N	311.429	3.647	50	20	DHGD	
N#C/C(=C\c1ccc(F)nc1)c1nc(-c2ccncc2)cs1	186404672	DKAUAFNPTXVDND-NTUHNPAUSA-N	308.341	3.803	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1F	188046163	HSCQIZVNULMDOV-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
CSC1(CNC(=O)CCCC[C@H]2CCSS2)CC1	194505666	JPJNEFLLLJLTNU-NSHDSACASA-N	305.534	3.712	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(C)c(C)cc1OC(F)F	255527404	WQTCVQVMDWLLBR-JYRVWZFOSA-N	307.296	3.541	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(COC(C)C)cc1	284601384	JUHKXMACNCXRSP-UHFFFAOYSA-N	314.476	3.744	50	20	DHGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1ccccc1Cl	490781864	FQHNECZNKVEAMZ-YVMONPNESA-N	324.192	3.996	50	20	DHGD	
COC(=O)N(C)N=Cc1c(-c2ccccc2)[nH]c2ccccc12	495809313	JLSBFLHXHYBKAR-UHFFFAOYSA-N	307.353	3.867	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(C)n(CC)c1C	728287110	OPIJDHRXWSCPRT-SFQUDFHCSA-N	301.434	3.728	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)C1C(C)(C)C1(C)C	746578229	ZJBHYRAKGUYROG-UHFFFAOYSA-N	308.809	3.834	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1C[C@@H]1c1ccc(F)cc1	746695368	ITLGOVKMGRZMAE-OLZOCXBDSA-N	322.742	3.865	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)cc1	746887409	UQTVHCIOJVLKCJ-UHFFFAOYSA-N	309.369	3.550	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1csc2c1CCCC2	748766556	BOSFJFJXDFOXMM-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1nc2ccccc2s1	749744057	CFFDVCZHABWZND-UHFFFAOYSA-N	323.421	3.769	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C[C@H](C)[C@@H](C)C2)c1C	751960934	GHOBHUMATQVOHX-BHFHNPPDSA-N	313.445	3.536	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H]1Cc1ccccc1	752499225	FQZUPLRXTCHKKU-WPNIOXTASA-N	320.367	3.576	50	20	DHGD	
C[C@@H](CNC(=O)NNc1cc(C(F)(F)F)ccc1F)C1CC1	754577126	XYKOWSCEPGWRDY-QMMMGPOBSA-N	319.302	3.517	50	20	DHGD	
Cc1cccc(NNC(=O)CSc2cc(C)ccc2C)c1	755942107	XCABWDKNXDGGIH-UHFFFAOYSA-N	300.427	3.847	50	20	DHGD	
COc1cc(C)ccc1C(C)=NNC(=O)c1cccc(Cl)c1	767031929	GQGQPHTTWJQCHE-UHFFFAOYSA-N	316.788	3.811	50	20	DHGD	
CC(C)N(Cc1ccco1)C(=O)[C@@H](Br)C(C)(C)C	767914440	OVYWOEYEXJVSGU-GFCCVEGCSA-N	316.239	3.826	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1nc2ccccc2[nH]1	768505251	WOAZXRYIUZAMAQ-GFCCVEGCSA-N	300.406	3.613	50	20	DHGD	
CC(C)N(CC1CCC1)C(=O)[C@@H](Br)C(C)(C)C	769252597	HQNMOVKNEOZYJJ-GFCCVEGCSA-N	304.272	3.833	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@H](C)c1ccccc1	771286304	CKFKZNGYOHYNIK-ZDUSSCGKSA-N	301.365	3.564	50	20	DHGD	
COc1cc(/C(C#N)=C/c2ccc(F)c(C#N)c2)ccc1[N+](=O)[O-]	774558300	AQVBZWXHNTWEIK-AWNIVKPZSA-N	323.283	3.678	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)Nc1ccccc1C	775782881	CBOCICSUKJQLTC-CQSZACIVSA-N	305.422	3.754	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2CCc3c(Cl)cccc32)c1	776222990	YQYPGHWCWGLFCP-HNNXBMFYSA-N	300.789	3.822	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1cccc2c1CCCC2	776616720	RHSZHSGQLRSTFC-FOWTUZBSSA-N	318.376	3.817	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2ccsc2[nH]1	777459459	BIQYUEMTXATBJQ-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCC=CO1	781082467	RAXRUXWMNVWHNY-QWHCGFSZSA-N	301.477	3.509	50	20	DHGD	
COc1ccc(NNC(=O)Nc2c(C)cc(C)cc2Cl)nc1	782007401	ZJBRVFIDQFQHBD-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
CCOc1c(Cl)cccc1C=NN(C)C(=O)OC(C)(C)C	782201291	NSKVRLSNTHZGJH-UHFFFAOYSA-N	312.797	3.940	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(Oc2ccc(OC)cc2)cc1	783683894	BMKUVTOTWZPOTR-QINSGFPZSA-N	323.348	3.958	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)c(C)o1	786106740	PWWPUXCMHXIDSK-NVNXTCNLSA-N	314.772	3.773	50	20	DHGD	
C#CCC1(C(=O)OC[C@H](C)CBr)CCCCC1	788218560	PKHULUGJBQOMNM-GFCCVEGCSA-N	301.224	3.534	50	20	DHGD	
C/C(=C\C(=O)NNc1ncccc1C)c1ccccc1Cl	791213258	YVRQNAXNOHGMIH-ZRDIBKRKSA-N	301.777	3.590	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C)c(CC)s1	795387634	QFPPGEORBHGTKU-UHFFFAOYSA-N	303.221	3.727	50	20	DHGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc(F)cc2)Cc2ccccc2O1	795419661	ZIPQFIGBCHVVEQ-FNHQQPGVSA-N	308.356	3.973	50	20	DHGD	
CC1=C(Br)CN(/C(=C\C#N)c2ccccc2)CC1	797527634	QUJTZTBOEJRDDJ-CHHVJCJISA-N	303.203	3.926	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(C1CCC1)C1CCC1	808340737	ROSHCUNYNFUCHA-UHFFFAOYSA-N	319.357	3.725	50	20	DHGD	
CC[C@@H](NCCO[Si](C)(C)C(C)(C)C)C1CCOCC1	808744522	OXDODJQJYHWTNZ-OAHLLOKOSA-N	301.547	3.803	50	20	DHGD	
CSCC[C@@H](C)NCc1ccc(OCCCCl)cc1	811481146	PTVLQAGCUNPVPR-CYBMUJFWSA-N	301.883	3.926	50	20	DHGD	
C[C@@]1(NCc2ccc(OCCCCl)cc2)CCO[C@@H]1C1CC1	811489251	BLGAYBYEPRAGOP-QZTJIDSGSA-N	323.864	3.742	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc(F)ccc1Cl	815853128	XRDJGSOXXYMXDC-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
COc1cc(Cl)cc(C(=O)NNc2c(C)cccc2F)c1	816164469	YHZZHTLGPPTQPE-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1nc(CC(C)C)sc1C(=O)N(C)CC(Cl)Cl	816628858	NAVSMEPGEMFTME-UHFFFAOYSA-N	309.262	3.526	50	20	DHGD	
C[C@@]1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC1(F)F	817439133	QNVLEBQWSGVEMC-AWEZNQCLSA-N	307.252	3.699	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)OC[C@H](C)CBr	838115612	BMHPNAHLIAIBCG-SFYZADRCSA-N	305.134	3.539	50	20	DHGD	
O=C(C=C1CCCC1)NNc1cc(F)ccc1Br	839878513	AHPYSDVCEIUFBV-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
C[C@@H]1CCCCCC1=NNC(=O)CSc1ccccc1O	844599315	CNRGRSUGZXXBPB-GFCCVEGCSA-N	306.431	3.557	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)C1CC2(CC2)C1	855021941	IGSAYUWJDJQIGJ-UHFFFAOYSA-N	306.409	3.911	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1C[C@H]1c1sccc1C	855366405	DVUKQIKOFCBXFO-OLZOCXBDSA-N	304.390	3.751	50	20	DHGD	
C[C@]1(CNC(=O)c2cccc(C(F)F)c2)C[C@@H]1Br	857400156	HDHXVULDIAAFTP-GXFFZTMASA-N	318.161	3.528	50	20	DHGD	
CC(C)c1ccccc1C(=O)NC[C@@]1(C)C[C@H]1Br	857686590	AXEATAPFUPEZNI-UKRRQHHQSA-N	310.235	3.713	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2ccoc2)C1	891546756	UYMUOJGPWVXHGK-CQSZACIVSA-N	309.482	3.906	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)c1C	915848013	KHJZTCODHYXNTR-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)cc2C)C1	928337038	ICFYBOJVTWHMFL-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(F)ccc1N(Cc1ccc(C#N)cc1)C(=O)CCl	1319675189	VXDPJOWUGSXXFF-UHFFFAOYSA-N	316.763	3.778	50	20	DHGD	
Cc1cn(CC(=O)OC[C@H](C)CBr)c2ccccc12	1324064177	KMPHEFVTTXLAKQ-LLVKDONJSA-N	324.218	3.524	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(C(=O)O)c3F)[nH]c12	1777448312	RXBPSQFKGZXEDQ-WQLSENKSSA-N	321.311	3.773	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3)on2)cc1	42362668	XUVXDTVYJHRHSK-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1ncccc1Cl)c1ccccc1	89491780	FWCRKMUHTBXFAY-LBPRGKRZSA-N	301.777	3.538	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C)c([N+](=O)[O-])c2)c1	98068034	DCPHXPDIWRTICY-NVNXTCNLSA-N	322.320	3.702	50	20	DHGD	
COc1ccccc1C[C@@H](C)CC(=O)NNc1cccc(C)c1	109426895	WTBGEQJUWZJMCP-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccc(Cl)c(Cl)c1	114885674	ARWWARDJLQTRCX-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(CCOc1ccccc1)NNc1cccc(C(F)(F)F)c1	120716489	USGVKOSKTZUTBD-UHFFFAOYSA-N	324.302	3.618	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NNc2ccc(F)cc2)c1	125495181	XZTOFNBTFYJNKM-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)Oc2ccccc2Cl)c1	150768692	RYSALLIPDDNEQI-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccccc3F)c2)cc1	152846357	BIUVANYGBRCHQN-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2cccc(F)c2)cc1	154861384	ZOPDDNCJXUXYFN-UHFFFAOYSA-N	304.390	3.760	50	20	DHGD	
CSc1ccccc1C(=O)NNc1cc(F)c(F)c(F)c1	175495847	CYZQVZJVRFZCBB-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	178880346	RBGMKNLBZKLXIR-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](Cc1ccccc1)c1ccccc1	178953703	NSAXKMLOQAYCKX-DGDHUYAWSA-N	320.392	3.531	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccc(OC)c1)c1ccccc1	194866348	ORGMUFLEKYDTLY-XYSGSMRZSA-N	320.392	3.870	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=C/C=C/c1ccco1	254852385	XDPYKCKQRBPRAM-MVHQQIFGSA-N	304.349	3.791	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C#N)s1	255112246	JYZGWGWALQIGOL-XFXZXTDPSA-N	323.377	3.564	50	20	DHGD	
C[C@]1(c2ccccc2)CN(/C(=C\C#N)c2ccc(F)cc2)CCO1	255381652	JSCUFZRUJFVNDR-DEWISIQVSA-N	322.383	3.938	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cc(C)cc(C)c2)n1	269588361	OVCAHPVDCDEWRQ-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1	270936545	LUDNSNHZOQTJLY-HUUCEWRRSA-N	321.207	3.779	50	20	DHGD	
C[C@@H](c1ccco1)N(C)C(=O)[C@@H](Br)C(C)(C)C	272594534	JERVEOKEDGKAQR-GXSJLCMTSA-N	302.212	3.609	50	20	DHGD	
CC(C)Cc1ccc(CCCC(=O)N2CC=C(C#N)CC2)cc1	272643554	DXCRPRPZMLQNIV-UHFFFAOYSA-N	310.441	3.890	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cn1	588577277	HORPKJDNBREIOE-GDNBJRDFSA-N	317.396	3.867	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)CCC1CCCCC1)c1ccccc1	727348249	VEKQXSRTKILJFF-KRWDZBQOSA-N	316.445	3.688	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)C12CC3CC(CC(C3)C1)C2	729635682	HRXLUTKKVZJSPP-UHFFFAOYSA-N	316.470	3.999	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1F)C(=O)NC1CCCCC1	753683165	OUDUQRMFIMDFOI-WQLSENKSSA-N	306.768	3.835	50	20	DHGD	
COc1ccc(CCC(=O)NN=CC[C@@H](C)c2ccccc2)cc1	755660915	HCCIQNISPAPWPI-MRXNPFEDSA-N	324.424	3.924	50	20	DHGD	
O=C(NCCC1CCC1)NNc1ccccc1C(F)(F)F	756115043	CDCXCXPWKQQOBE-UHFFFAOYSA-N	301.312	3.522	50	20	DHGD	
C=C[C@H](CC(=O)NNc1ccc(Cl)nc1)c1ccccc1	760165397	BCLYHPBQJHTMCQ-GFCCVEGCSA-N	301.777	3.538	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H](C(C)(C)C)C1	768443680	AIECVYJIVAAVHD-WDEREUQCSA-N	304.272	3.691	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(F)cc(Cl)c2O)c(C)c1	769150319	RYJJRDXKHZKCOY-UHFFFAOYSA-N	322.767	3.867	50	20	DHGD	
Cc1cnccc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	769987973	WUDULJNLAYTCBM-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
Cc1cccc(C=NNC(=O)CC2CCCC2)c1OC(F)F	777886285	JYHNPETUHGTEHT-UHFFFAOYSA-N	310.344	3.627	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	782019890	WHTBMYYIJHCNHA-VIFPVBQESA-N	311.769	3.518	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](C)Cc2ccccc2)ccc1Cl	790170684	AKCHMSSSZYSQIK-LBPRGKRZSA-N	318.804	3.671	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1cccc2ccccc12	794566682	NIHGMTBKIMTSJX-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
O=C(NN=C1CCCc2cccnc21)c1cccc2ccccc12	799109298	CBYVVJYWULTSNS-UHFFFAOYSA-N	315.376	3.705	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(COC)cc1	799425291	SVXZVASVXKQKEW-UHFFFAOYSA-N	313.401	3.852	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802015634	USQMPGLZRUFUOG-SNVBAGLBSA-N	311.813	3.565	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@H]1C[C@@H]1c1ccc2ccccc2c1	804767361	JKBNFOTWWBXVMO-CVEARBPZSA-N	321.355	3.621	50	20	DHGD	
Cc1csc(C(=O)NNc2nccnc2C2CCC2)c1Cl	805468037	LEHKQRBJJDYECH-UHFFFAOYSA-N	322.821	3.524	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCCCCC(=O)C2)cc1	813513648	RFAGDPHLXSDJEM-CQSZACIVSA-N	316.445	3.967	50	20	DHGD	
Cc1nc(C(=O)NN(c2ccccc2)c2ccccc2)c(C)o1	814269731	DEJKMYHZYRVCJE-UHFFFAOYSA-N	307.353	3.775	50	20	DHGD	
CC[C@H](C)CC(=O)NNc1ccc(OC)cc1C(F)(F)F	816702535	RAEONJLHHQDYGT-VIFPVBQESA-N	304.312	3.593	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NNc1ccc(Cl)c(OC)c1	834716651	UKUZUKBPYIMACR-CQSZACIVSA-N	302.777	3.710	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCCCSC#N	854360033	ZQHFFJHUANEWSL-KGLIPLIRSA-N	302.443	3.697	50	20	DHGD	
CC(=NNC(=O)c1cc(C)cs1)c1csc(C(C)C)n1	863155280	DXKOTHAEZKIXQL-UHFFFAOYSA-N	307.444	3.790	50	20	DHGD	
CCC[C@H](CC)C(=O)NNC(=O)c1c(Cl)cccc1Cl	874329575	UFFBREAXESSCFB-VIFPVBQESA-N	317.216	3.581	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1csc(C2CC2)n1	885125683	VPXAEUUPJJIOSG-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2ccc(Cl)nc2)c2ccccc21	920374555	GMICQPVSVCQKBZ-UHFFFAOYSA-N	313.788	3.550	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CC[C@H]2CCCC[C@@H]2C1	920376425	SOIYVSLQFCVFNB-HUUCEWRRSA-N	314.429	3.700	50	20	DHGD	
Cc1cc(NNC(=O)[C@H](c2cccnc2)C(C)C)ccc1Cl	928340437	ZBVIGYMBRGYFNK-INIZCTEOSA-N	317.820	3.926	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCS[C@H]2CCCC[C@@H]21	1123657292	KDQYRXILBKBCCN-HOAMVYINSA-N	301.883	3.671	50	20	DHGD	
Cc1ccc([N+](=O)[O-])c(C(=O)NNc2ccc(C)c(Cl)c2)c1	1323253592	UFUOUUIOXHAGNA-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)c2ccc(F)c(F)c2)cc1	1327898892	AOLLEEFPZYPATE-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
C[C@]1(CNCc2ccc(N3CCCC3)cc2)C[C@H]1Br	1331033433	NEJIXPYIKLARLT-HZPDHXFCSA-N	323.278	3.550	50	20	DHGD	
Cc1cnn(CC2CC2)c1NC(=O)c1cccc(CCl)c1	1337060939	XVCYKOOWAKAZAJ-UHFFFAOYSA-N	303.793	3.593	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)c2cncn2-c2ccccc2)CC1	1338639775	XAKDKDYNRUHEQV-UHFFFAOYSA-N	324.428	3.804	50	20	DHGD	
CC(C)(NC(=O)C1CCC(Cl)CC1)c1ccc2c(c1)OCO2	1548636828	FHVWGIDPMKYZAC-UHFFFAOYSA-N	323.820	3.564	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)cc1C	1777433652	QRADKLBLMATORU-NVNXTCNLSA-N	323.323	3.931	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1F	1777477265	TXUHMNYDCKDEBB-XFFZJAGNSA-N	315.325	3.684	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2nccs2)c1C	7654779	LVQDKLHPKUQSCO-NTEUORMPSA-N	314.414	3.517	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1F	103717136	KEBRDIDFSHPQLH-FMNVXAMXSA-N	308.356	3.919	50	20	DHGD	
COc1ccc(CCCCCC(=O)NNc2ccccc2)cc1	111550910	ZVVSKQKUIWUZAV-UHFFFAOYSA-N	312.413	3.941	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	120297277	GKLZQJTZZPMTBO-LLVKDONJSA-N	300.427	3.938	50	20	DHGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NNc1ccccc1F	153143506	KHJQMLSRUUGNCI-NSHDSACASA-N	322.380	3.836	50	20	DHGD	
C=C[C@H](CC(=O)NNc1cc(F)cc(OC)c1)c1ccccc1	179494697	PRJDCLTZFKDQEP-CYBMUJFWSA-N	314.360	3.637	50	20	DHGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1ccncc1	179513049	XJMZLHNXZZVBER-XYOKQWHBSA-N	317.270	3.646	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cn1	190261963	OWXFYXUNLSPQSP-GZTJUZNOSA-N	319.408	3.944	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCCC(F)(F)C1	282411070	DLKCYXWRNWVDPO-SECBINFHSA-N	322.277	3.974	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)o1	490726733	UMLMNEKIVZYIFI-DHZHZOJOSA-N	316.744	3.625	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(F)c(F)cc1F	490843704	OUSRODRBVBFQOR-YHYXMXQVSA-N	320.245	3.789	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(CC1CC1)c1ccccc1	588516671	VCLPCNSHPQWJCK-ATVHPVEESA-N	318.376	3.742	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cccc(OCCC)c1	588588805	QAYIQZSFRQRVMJ-VBKFSLOCSA-N	307.415	3.555	50	20	DHGD	
CCN(CCNC(=O)CCCC[C@H]1CCSS1)C(C)C	726624452	FBZUOMRKNCWPFY-AWEZNQCLSA-N	318.552	3.547	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)c1cc2ccccc2cc1O	729633979	UYGZOEQPWYZEPQ-UHFFFAOYSA-N	324.405	3.955	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)c1	735614878	FWDSHBWLGWIVLB-QGZVFWFLSA-N	317.392	3.687	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc3ccccc23)cc(C)c1O	741462501	HBLYREGISHLFIW-UHFFFAOYSA-N	318.376	3.926	50	20	DHGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)c1ccc(C#N)cc1	743436907	QATHXPCCRLOMSE-UHFFFAOYSA-N	323.371	3.682	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1coc2ccccc12	746575248	BVYHXYCWHKUFSI-UHFFFAOYSA-N	317.348	3.538	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cnc2ccsc2c1	748335721	XXLZJHFGEFXQIB-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCC[C@H](C)CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	748697780	VFJQQEMMTIXFEF-ZDUSSCGKSA-N	304.434	3.571	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1cc(F)c(F)c(F)c1	748810812	KIHBZZZDWAJJMC-UHFFFAOYSA-N	320.270	3.536	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1C	751512849	GWCFRVIMEWJWFO-DGGAMASNSA-N	301.386	3.925	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2ccc(Cl)cc2F)C(C)(C)O1	755891439	GBTZHADFHFFZBT-UHFFFAOYSA-N	312.772	3.542	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccccc1Br)C(C)C	765005091	WDJKSCPPSSDKJG-LLVKDONJSA-N	313.239	3.965	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)NNc1ccccc1Cl	767196570	PFTSZAVXSGLDRR-UHFFFAOYSA-N	303.793	3.783	50	20	DHGD	
C[C@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccco1	767405852	VRJQIOJVDXTIES-ZETCQYMHSA-N	317.147	3.972	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2cccc(F)c2C1	767773539	HQRQRVGJVLHFQG-CNHKJKLMSA-N	323.327	3.657	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccccc1N(C)C	769586408	UBHUSJWEVFLZOB-UHFFFAOYSA-N	321.380	3.653	50	20	DHGD	
CC[C@H](NC[C@@H](C)CBr)c1ccccc1OC	770668269	XVCPWYNFTCLPEB-AAEUAGOBSA-N	300.240	3.767	50	20	DHGD	
O=C(NNc1ccccn1)c1c[nH]cc1-c1ccc(Cl)s1	777473760	ZKNMFAIFXVGWAS-UHFFFAOYSA-N	318.789	3.549	50	20	DHGD	
COC[C@@H](NC[C@H](C)CBr)c1ccc(Cl)cc1	785963830	IOKBLAQKIKVZRL-ZWNOBZJWSA-N	320.658	3.648	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1C	787486304	QCIIATFWICXQGF-WJDWOHSUSA-N	306.365	3.809	50	20	DHGD	
CSSCCNC(=O)C1(c2cccc(Cl)c2)CCC1	791150672	RXZWMITWQQQZNS-UHFFFAOYSA-N	315.891	3.889	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2c(C)cc(C)cc2C)C1	793706514	MOLBSGIOIZOBDK-HOTGVXAUSA-N	304.434	3.650	50	20	DHGD	
C=C(CBr)COC(=O)C(C)(C)c1ccc(C)cc1	795490913	JGHGJPMWIVWIIQ-UHFFFAOYSA-N	311.219	3.767	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(OC)c2F)c1	799890190	BVKVGFHAUVPCRQ-NTEUORMPSA-N	311.312	3.633	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@@H]1CCCC(F)(F)C1	800691071	CJDXSKNIPWRWFT-SECBINFHSA-N	311.357	3.565	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(F)(F)F	807895634	JWRVFHBYGBVUMP-RKDXNWHRSA-N	301.399	3.768	50	20	DHGD	
Cc1ccc(-c2nc(C)c(C(=O)N3CC=C(C#N)CC3)s2)cc1	821437082	SWWHPILZDYBIGB-UHFFFAOYSA-N	323.421	3.723	50	20	DHGD	
CC(C)(C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-])C1CCC1	833773634	BEMPHIVRVRESSR-UHFFFAOYSA-N	311.769	3.518	50	20	DHGD	
CCOc1ccc(NNC(=O)NC[C@H](C)c2ccccc2)cc1	837360010	LWKZFNYASUFXLT-AWEZNQCLSA-N	313.401	3.515	50	20	DHGD	
O=C(CCOc1ccc2ccccc2c1)NCC(Cl)Cl	837649008	ZITACSOOAGYBRN-UHFFFAOYSA-N	312.196	3.529	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ncnc(Cl)c2C(C)C)CC1	843905637	JMIGUCMIWOIYIH-GFCCVEGCSA-N	322.840	3.833	50	20	DHGD	
COCCCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844344594	DEZBFBJMXAKPSZ-UHFFFAOYSA-N	301.547	3.757	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)NC3CC3)s2)cc1C	848639669	XHARKLRMCVOOSC-RIYZIHGNSA-N	323.421	3.613	50	20	DHGD	
N#CSCCCNC(=O)CCSc1cccc(Cl)c1	854360397	NUKKXGSRIKFALY-UHFFFAOYSA-N	314.863	3.543	50	20	DHGD	
CC[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(C)cc1O	857081926	KEVWLGJBPHWPNT-QEJZJMRPSA-N	312.251	3.915	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CC[C@H](C)C2)c(C(F)(F)F)c1	857265428	MXDQVKQXMFTIIR-UWVGGRQHSA-N	316.323	3.593	50	20	DHGD	
CSSCCNC(=O)c1cc2c(Cl)cncc2s1	890454460	HNPRRODREAHNON-UHFFFAOYSA-N	318.876	3.691	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(C)[C@@H](C)CC)cc1OC	916348319	HRRQEVQBENYPPK-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
c1cncc(-c2nnc(CCCC[C@@H]3CCSS3)o2)c1	1327874925	XDWCJVSPZWKPHI-GFCCVEGCSA-N	307.444	3.998	50	20	DHGD	
CCS[C@@H]1CCC[C@H]1NC[C@H](CBr)C1CC1	1329805888	KNIYRYJSQSSOSK-YNEHKIRRSA-N	306.313	3.671	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2c(F)cccc2c1	1343947704	QTAXOMHJUMSNTG-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609955149	BGWKDNXPPFZDDP-UHFFFAOYSA-N	312.797	3.698	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1	5872696	SFQVGUJVHJKYGB-QLENYVDCSA-N	320.392	3.870	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cccc(Cl)c1	6331017	AIERBDRUUQHCKF-UHFFFAOYSA-N	302.805	3.882	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1F)c1ccccc1	7157153	RGIQTVHTEHQQRQ-DGGAMASNSA-N	312.319	3.749	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1ccc(Cl)cc1	120129334	CYLFPYOEVRLIGZ-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
O=C(CCn1ccc2ccccc21)NNc1ccc(Cl)cc1	120204651	IONCOENABCVTKM-UHFFFAOYSA-N	313.788	3.828	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1OC	120361389	XGDHJWYGRBKCBC-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)s1	134288121	WNXMLSPVMGGTKO-UHFFFAOYSA-N	316.304	3.712	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OC(C)C)c(Br)c1	152158324	JKFCADCNENDSAP-KPKJPENVSA-N	308.175	3.616	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccccc1Cl	158465935	YQRGFPRADJODST-QWRGUYRKSA-N	306.818	3.957	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2SCCc3ccccc32)c1	158978050	SZXYZIYEOJZPNV-QGZVFWFLSA-N	312.438	3.777	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1nc(-c2ccc(C)cc2)cs1	159465770	IGYVTCKIYLQBRV-LCYFTJDESA-N	313.382	3.501	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc(Cl)s1	160848773	MAYKNNNAEHDMQG-UHFFFAOYSA-N	312.797	3.925	50	20	DHGD	
Cc1cccc2c(CC(=O)NNc3cccc(Cl)c3)c[nH]c12	172826263	FURFDGKINXEORX-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1cccnc1Cl	176243154	SLVQBWKMFJPWQZ-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)s1	177891709	MOYMGCMGEDDSMJ-UKTHLTGXSA-N	312.394	3.919	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccc(Br)cc1	178506154	JCZDZSWTRQXKMN-UHFFFAOYSA-N	319.202	3.768	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)C(=O)NC1CC1	180203790	QVTTXOKLTYGBSO-GZTJUZNOSA-N	318.376	3.548	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H](c2ccccc2)C1	182486620	DDYTUNIDOONHCO-YPOUMIDOSA-N	320.367	3.749	50	20	DHGD	
CC(C)CSCCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	183770913	PMQCKMUGPUSRSM-GDNBJRDFSA-N	320.433	3.628	50	20	DHGD	
N#CC1=CCN(C(=O)CCSc2ccc(Cl)cc2)CC1	270993178	XIIDZZXXDXZWDH-UHFFFAOYSA-N	306.818	3.504	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)Nc2ccccc2)c2ccccc21	490878938	PXTJPIVIWSPXNU-WYMLVPIESA-N	316.364	3.602	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@@H]1CCC[C@@H](C)C1)c1ccccc1	731996881	GXLKVIUXBMYEAU-INMHGKMJSA-N	316.445	3.544	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@H]1CCC[C@H](C)C1)c1ccccc1	731996888	GXLKVIUXBMYEAU-ZOBUZTSGSA-N	316.445	3.544	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c2ccccc2n1	735696489	VNVKKFSSASTVKY-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2nccc3sccc23)c1	740086202	SOKXDUGZSLWQLB-GFCCVEGCSA-N	311.410	3.852	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2	741468593	FTZYWYZGUJPMPF-YIVIPITNSA-N	305.761	3.981	50	20	DHGD	
O=C(Cc1coc2cc(F)ccc12)NNc1ccc(F)cc1F	748309219	GCVJUXAWFSAALK-UHFFFAOYSA-N	320.270	3.536	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1ccc(F)cc1C	748561410	GYCFVEOKSTXZQK-MRXNPFEDSA-N	316.376	3.743	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1ccc(C#N)c(Cl)c1	753312259	AWYQBHWSUCWARR-UHFFFAOYSA-N	321.808	3.584	50	20	DHGD	
CCCC1(C(=O)NNC(=O)c2ccc3ccccc3c2)CCC1	759152257	GMIHNUOHWXZHDX-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H](C)c2cccc(Cl)c2)c1	759319685	UZZRJFOYYXJBAO-JTQLQIEISA-N	322.767	3.735	50	20	DHGD	
CC[C@@H]1CCCC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764809716	KIOWCHWWTFVMDQ-LLVKDONJSA-N	314.364	3.512	50	20	DHGD	
C[C@H](CBr)CN1CC[C@H](c2ccc(F)cc2)C1	770654137	AAFMFCDCJFJVDM-YPMHNXCESA-N	300.215	3.646	50	20	DHGD	
C#CCCCCC(=O)NN(Cc1ccccc1)c1ccccc1	773206098	DFAOMDUBZWJPFI-UHFFFAOYSA-N	306.409	3.918	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cnoc2C2CC2)cc1	773452408	OJCUADGFCYRLKP-OVCLIPMQSA-N	308.337	3.511	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1c(C)nc2ccccn12	779759388	UOEKQDRTAJAYCN-ZDUSSCGKSA-N	314.433	3.821	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	784445627	ALEZLYJWAIGQPS-UHFFFAOYSA-N	304.312	3.711	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1c(Cl)ccc2cccnc12	786667605	XUBHSBIOHDBQJZ-JYRVWZFOSA-N	312.756	3.791	50	20	DHGD	
CCC(CC)(CC)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	787429602	ZNPJFJGIINBVEE-RVDMUPIBSA-N	300.402	3.632	50	20	DHGD	
COc1ccc(NNC(=O)C[C@H](C)c2c[nH]c3ccccc23)cc1	787887308	XUYQWBJRSMUXJW-ZDUSSCGKSA-N	323.396	3.813	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccc(C)cc1O	788714890	QJHBGQDBFTZPPE-UHFFFAOYSA-N	316.788	3.680	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc3ccccc23)cc(Cl)n1	788717086	TUKUZXSLDSYSSG-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CC[C@H](C)[C@@H](OC)C(=O)NNc1c(Cl)cc(F)cc1Cl	793756310	LBJDKXGFKZGPIK-JVXZTZIISA-N	323.195	3.637	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(-c2ccc[nH]2)cc1	794256422	WNOMKJLEFSFUIQ-UHFFFAOYSA-N	307.444	3.814	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC[C@H]2CCF)c2ccccc2n1	794866981	YJMSXAWFVZFJBI-ZDUSSCGKSA-N	313.376	3.789	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CC(C)(C)C)cc1	794909196	AUMOCJCNHLOSSD-VBKFSLOCSA-N	314.429	3.887	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1cc(C)cc(C)c1	798981779	ROLLOSNWVRQUQT-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCOCc1ccccc1	799756852	MZVJTLSVOFBJDM-UHFFFAOYSA-N	312.413	3.607	50	20	DHGD	
CCC/C=C/C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802039034	VAFQVQSPHVJRNM-BJMVGYQFSA-N	323.396	3.863	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1ccc(Br)c(F)c1	803116648	MYLNCPZGSLLGLR-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
CCN(C(=O)NCCSSC)[C@H](C)Cc1ccsc1	807233848	NSABVIHMUPACMA-LLVKDONJSA-N	318.533	3.722	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1csc(-c2ccccc2F)n1	812225030	OXKRYCXKUUCHAP-UHFFFAOYSA-N	319.405	3.836	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2c[nH]nc12	812769073	SPZHJYCAYBDCCX-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
CC[C@H](C)C=NNC(=O)Nc1cc(OC)c(Cl)cc1OC	814994878	DPPRQHTVMZDSEM-VIFPVBQESA-N	313.785	3.511	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(OC(F)F)cc2)CCCC1	827181019	RJXIDKDKFBKINT-UHFFFAOYSA-N	310.344	3.868	50	20	DHGD	
C[C@H]1CC[C@@H](C)C(=NNC(=O)c2cccc(OC(F)F)c2)C1	834954548	ZIXTVBFKQYIIAE-WDEREUQCSA-N	310.344	3.830	50	20	DHGD	
CCn1nc(C)c(NC(=O)NNc2ccc(C)cc2Cl)c1C	836487519	GZDNAQSUJZJHJI-UHFFFAOYSA-N	321.812	3.630	50	20	DHGD	
CCCOc1cccnc1C(=O)NNc1ccc(C)cc1Cl	836935162	OKSWLXLXLMAMFB-UHFFFAOYSA-N	319.792	3.589	50	20	DHGD	
Cc1nc(CC(=O)NNc2ccc(C(C)C)cc2)c(C)s1	837052318	BMEZHNJWLNIURE-UHFFFAOYSA-N	303.431	3.569	50	20	DHGD	
CC(C)O[C@H]1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)C1	837722601	RAZXQJQVATUAAW-HZSPNIEDSA-N	317.520	3.773	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(Cl)cc2Cl)CS1	840419787	YAXGEKXIUXCPJK-CBAPKCEASA-N	320.245	3.514	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1F	844272087	SXTNUMDBIHCWIV-GHXNOFRVSA-N	305.349	3.755	50	20	DHGD	
Cn1cncc1CN1CCCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844348861	GBGLKODUEGQXIQ-OAHLLOKOSA-N	323.557	3.796	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CSCc2ccc(F)cc2)c1	857830779	WXFVYDLCPWMFBV-UHFFFAOYSA-N	318.417	3.819	50	20	DHGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NN[C@@H](C)C(F)(F)F)c1	862320918	XFPCCKIQFJSUBR-NEPJUHHUSA-N	316.367	3.560	50	20	DHGD	
C[C@@H](CO)N(C)N=Cc1cccc(S(F)(F)(F)(F)F)c1	905483353	HLBUOTBGEGNOEY-VIFPVBQESA-N	318.311	3.991	50	20	DHGD	
Cc1cccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC3CC3)c2C)c1	912706273	VAADUUKXVWDEJA-BOPFTXTBSA-N	319.408	3.588	50	20	DHGD	
CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	915843565	XKPCQHFUALKPNK-SSZFMOIBSA-N	300.402	3.776	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(Cl)c(F)c1	921258187	OWVSUZZMSQSFCC-UHFFFAOYSA-N	305.740	3.943	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(C)c(Cl)c2)c(F)c1	1337328386	UYMKVMTWJXBHPT-UHFFFAOYSA-N	320.751	3.747	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1C(=O)O	1610079174	IIDXOGQVSBWYMK-MDWZMJQESA-N	323.348	3.947	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1	33613999	SXJYDTWWOPGZFP-BAVFYMBESA-N	322.364	3.957	50	20	DHGD	
N#C/C(=C/c1cccc(OC(F)(F)F)c1)C(=O)NC1CCCC1	76106417	WAZSGPRTCLMTMA-WQLSENKSSA-N	324.302	3.551	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccnc3ccccc23)cc1	106925712	OFVJIUMXUDDJSB-UHFFFAOYSA-N	323.421	3.779	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2c(F)cccc2F)cc1	118513034	DRUFHYDHOKUKQV-UHFFFAOYSA-N	319.355	3.568	50	20	DHGD	
COc1ccc(C(=O)NNc2ccccc2)cc1-c1ccccn1	123625431	GLHMIFNQZKJEEL-UHFFFAOYSA-N	319.364	3.514	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc(C(C)(C)C)s2)c1	130761193	NHUYMOUQQTXYPJ-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
O=C(CCSc1ccccc1F)NNc1cccc(F)c1	154302659	VOOZCXLHIMCRGE-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCc1cscn1	171824062	HNTSRAUCSCIMAW-LBPRGKRZSA-N	316.517	3.516	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc2ccccc2c(Cl)n1	178898068	JFDBYJQCRWKHIZ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(SC(C)C)cc2)cc1	729274140	QNZCFZDNRSKOHS-UHFFFAOYSA-N	316.426	3.953	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)CCc2ccccc2O)CC1	729934893	SYQMBNGVOOASQY-UHFFFAOYSA-N	302.418	3.643	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1cccc2ncccc12	730145996	ARVQWKDCBQLNCO-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cccc2ncccc12	730146482	YBJQFQWIQSQVPE-WBOJAVRRSA-N	319.408	3.777	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccc(C)c(F)c2)c2ccccc2n1	731486468	YIZHHUVOPJXOGV-UHFFFAOYSA-N	321.355	3.755	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(C)ccc1OC)c1ccccc1	731931367	GHZKVLMLGQTFRX-KRWDZBQOSA-N	310.397	3.648	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)c1ccccc1C	733251088	QFJXGNAYCZLAGN-INIZCTEOSA-N	316.445	3.753	50	20	DHGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1)c1ccccc1F	735610757	WIXMEOASYBCUDJ-HNNXBMFYSA-N	310.372	3.954	50	20	DHGD	
O=C(NCc1ccco1)NN=C1CCC[C@H]1c1ccc(F)cc1	741163217	QKULMSAVLJNMKK-HNNXBMFYSA-N	315.348	3.542	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cccnc2C)c(Cl)c1	741767221	SHYPMUPODDZGMS-UHFFFAOYSA-N	302.765	3.507	50	20	DHGD	
C/C=C/C=C\C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	743826828	QFRUEYDADIQMJZ-GQICYRDHSA-N	321.380	3.639	50	20	DHGD	
CCCN(CCC)CCCC(=O)NNc1cc(C)ccc1C	748430119	ZHNAMZXCNXFRQL-UHFFFAOYSA-N	305.466	3.649	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C(F)=C1CCCC1	748506938	HHIPKMXBEUQUFI-UHFFFAOYSA-N	302.271	3.946	50	20	DHGD	
Cc1c(Br)cccc1NC(=O)NNc1ccccc1	769994707	UXNTZDXBNOVPEK-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCc1ccccc1Cl	770325118	OJPMMATYZBWEEM-JTQLQIEISA-N	319.626	3.847	50	20	DHGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNc1ccccc1	775755568	QDLCPAAYTFNZKO-CYBMUJFWSA-N	301.394	3.639	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)nn1[C@@H](C)C1CC1	777522742	DIQUWHHIDHDBFR-NSHDSACASA-N	318.808	3.573	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780991979	KLTRIYKZWQKSTI-MDZDMXLPSA-N	311.307	3.767	50	20	DHGD	
C[C@H](C1CC1)N(C(=O)[C@H](Br)C(C)(C)C)C1CC1	781083228	VMCKJWQDOOIQKY-SKDRFNHKSA-N	302.256	3.586	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)[C@@H]1C	781125767	STBFDPDIJVDEOC-WDEREUQCSA-N	316.430	3.680	50	20	DHGD	
C#CCN(CC(=C)CBr)[C@H]1CCc2ccccc21	791444054	AJKRYEJABNCHQR-INIZCTEOSA-N	304.231	3.560	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C[C@H](c2ccccc2)C(C)C)cc1	794465059	SSKBNNYJJBAZPJ-IBGZPJMESA-N	323.440	3.949	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1ccsc1	794935982	BXBLWSZGWDQNRT-NSIKDUERSA-N	311.362	3.853	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cn(C(C)(C)C)nn2)s1	797406416	TUYWGEOEQVHMCD-YRNVUSSQSA-N	315.446	3.851	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1sccc1C	799560352	GEVKBYFZNDWCPN-UHFFFAOYSA-N	303.431	3.754	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1c(F)ccc(Br)c1F	799891073	KACPIMBCCDIEKV-VMPITWQZSA-N	314.129	3.859	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1ccc(Br)cc1F	802826705	LBYIVESXJFKHGK-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
CCCCCCCCC(=O)NNc1nccnc1C1CCC1	805462381	JBMIFDLROMGTMT-UHFFFAOYSA-N	304.438	3.938	50	20	DHGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNc1ncccc1Cl	810405898	QJDFOYIKDAISSD-ZRDIBKRKSA-N	301.777	3.590	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc2[nH]ccc2c1	811640979	IBKNBWPXXVAYTJ-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)Nc1cccc(C2CCC2)c1	812994383	LJNLPTUIYJLHDE-UHFFFAOYSA-N	315.417	3.687	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCCOCC1CC1	813032606	REVRRIXCPARXJJ-UHFFFAOYSA-N	319.449	3.561	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cccc(Cl)n2)c1Cl	814654944	PZPSXZQUUBQYCI-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)NCCc2cccs2)c1	814818471	TZRDQLALHRGSNV-UHFFFAOYSA-N	321.833	3.586	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1csc(C)n1	815004659	NDOKZKVJMSZWSO-UHFFFAOYSA-N	308.794	3.651	50	20	DHGD	
O=S(=O)(CCl)N1CCC[C@@H]1c1cccc2ccccc12	830176165	AMBVETPKXLBYLM-OAHLLOKOSA-N	309.818	3.503	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2c(C)cccc2Cl)CCO1	836933651	MNZFYEYNTXJTKE-STQMWFEESA-N	310.825	3.687	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(C(C)(C)C)c2C)c(Cl)c1	836938223	IIBGNHKBIMVDRC-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CC(C)(CC#N)CNC(=O)CCCC[C@H]1CCSS1	837885312	MYIRPTUMKDIZQV-LBPRGKRZSA-N	300.493	3.757	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@H](C)CC(F)(F)F	840438912	CHASXKKYSZFAAC-MRVPVSSYSA-N	323.746	3.863	50	20	DHGD	
CCOc1ccc(C[C@@H](C)C(=O)N(C)CC(Cl)Cl)cc1	848083702	KXRSQGHJZTWYKN-LLVKDONJSA-N	318.244	3.526	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1ccc(F)cc1Cl	885137470	YVFQLNSWGWLMFH-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CC(C)(F)C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891548286	CWSNOEAYUQCUAX-LBPRGKRZSA-N	303.494	3.747	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@H](c3cccnc3)C2)cc1	1116913552	CHLNEFUKEHQYEK-HNNXBMFYSA-N	323.396	3.534	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)NNc1c(C)cccc1F	1320491209	TZQSWRRWXQYLMB-UHFFFAOYSA-N	308.303	3.678	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnc(C(C)C)[nH]1	1324690796	NVUJOLSWNXUDJN-UHFFFAOYSA-N	300.406	3.722	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1nc(-c2ccccc2)c[nH]1	1338806641	NIADBCZQXJRFST-UHFFFAOYSA-N	319.368	3.541	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc3ccccc3c2)cc1C(=O)O	1600462316	YYIOOBAEFJMJCO-UHFFFAOYSA-N	320.348	3.603	50	20	DHGD	
Cc1ccc(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)cc1C	3233497	YJCWMPBHDTULGU-WOJGMQOQSA-N	319.360	3.637	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)c1c(C)cc(C)cc1C)c1ccccc1	90563553	LKNQQYWROMKCIR-KRWDZBQOSA-N	324.424	3.567	50	20	DHGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C2CCCCCC2)c1	101962486	LZOSPVLRPZGOPJ-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2ccccc2)no1	120199674	JLQNTLXIWZGFDI-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	122574427	QGQLCGJAUTUWCU-GFCCVEGCSA-N	320.339	3.925	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1ccc(F)cc1	124441474	YDLBJQGVRJKTJV-LSDHHAIUSA-N	304.752	3.726	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccccc3F)cc2C1	152802059	VSLZRMGNHBUFNI-JTQLQIEISA-N	304.390	3.769	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cn(-c3ccccc3)nc2C)c1	158967941	CEUIFDLTCVJGQK-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1oc2ccc(NC(=O)NNC(=O)CC(C)(C)C)cc2c1C	186450800	SMYZEAVWHAEVGZ-UHFFFAOYSA-N	317.389	3.639	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	213276441	VEOXJSUUECHKQP-AQTBWJFISA-N	319.360	3.902	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C[C@@H]1c1c(F)cccc1Cl	289079469	OAWOLJBZRMQEQR-BQBZGAKWSA-N	310.583	3.503	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1conc1CC	491136939	WPHXQOIYFHFFCN-XNTDXEJSSA-N	323.396	3.907	50	20	DHGD	
CC(C)CC(=NNC(=O)CCc1ccccc1O)c1ccccc1	729935365	VIWRRLQHVJKPTR-UHFFFAOYSA-N	324.424	3.891	50	20	DHGD	
O=C(NN=C1C[C@H](c2ccccc2)Oc2ccccc21)C1CCC1	731936391	VIORKVFSIDUEOT-LJQANCHMSA-N	320.392	3.831	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)c1C	732804565	PPUXNPSAHHJNBX-SFQUDFHCSA-N	307.397	3.695	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@H](C)C(C)(C)C)cc1	734444367	YEDIBZIRIGNKED-HNDQUVLASA-N	314.429	3.791	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)[C@H](CC)c2ccccc2)C12CCC2	741164317	GLMHJYPTVDCTMC-WBVHZDCISA-N	314.429	3.632	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(O)c(F)c1	741462737	NOAHHKVATHNMAS-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CC(=O)c1csc(C(=O)NNc2c(C)cc(C)cc2C)c1	743762025	JGVYECMOMZUUMD-UHFFFAOYSA-N	302.399	3.633	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(Cl)nc1)c1cccc(F)c1	743817688	AHBXQEQMBRHFOX-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	743819289	JFDCOOIXDWQFPF-UHFFFAOYSA-N	303.793	3.835	50	20	DHGD	
Cc1nc(N)sc1C(=O)NN=C1CCC[C@H](C(C)(C)C)CC1	746563388	AAMFMOAGZHTQSC-NSHDSACASA-N	322.478	3.746	50	20	DHGD	
CC[C@@H](C)[C@H](C(=O)NNc1ccc(OC)cc1)c1ccccc1	746886017	FCJHIUQAQGLCLR-KDOFPFPSSA-N	312.413	3.968	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1C[C@@H](C)C[C@H](C)C1	747750507	ASRJFXIMSSZDFQ-QWRGUYRKSA-N	308.809	3.891	50	20	DHGD	
Cc1cc(OCC(=O)NNc2ccccc2F)ccc1C(C)C	748059457	RQPYAWKQRJHZBW-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CC12CCC2	760120961	OAYHARPWLUOHHY-LBPRGKRZSA-N	301.777	3.522	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761390679	DVPCSLOQSYEQFW-WEVVVXLNSA-N	302.132	3.991	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)s1	763106051	DTIRMMGSICTCRB-XFXZXTDPSA-N	309.350	3.871	50	20	DHGD	
Cc1nc(CC(=O)NN=C[C@@H](C)c2cccc(Cl)c2)cs1	763344702	CXCPJXGXGLKQDF-SNVBAGLBSA-N	321.833	3.553	50	20	DHGD	
Oc1nc([C@@H]2CC[C@@H](Br)C2)nc2cccc(F)c12	765982649	OYAKOFZWDUEGNL-HTQZYQBOSA-N	311.154	3.506	50	20	DHGD	
Cc1ccc2nc(C3CC3)cc(C(=O)N3CC=C(C#N)CC3)c2c1	767160150	NHCBGBHUNSZESV-UHFFFAOYSA-N	317.392	3.717	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccccc2)cc1OCC	769932939	QLLQNTMMCOIEEX-UHFFFAOYSA-N	315.373	3.633	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1c(F)cccc1Cl	770203831	TZBOFVIGCFLORO-MFKMUULPSA-N	314.788	3.518	50	20	DHGD	
CC[C@H](C)Sc1ccc(NC(=O)NNC(=O)C(C)C)c(C)c1	770340050	SFPNBWQXYLSASI-LBPRGKRZSA-N	323.462	3.694	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H]2C(C)C)c1C	775899847	LTTWRIOOZZNUCR-PNDHZVEESA-N	313.445	3.679	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cc(C(=O)O)cs2)ccc1[N+](=O)[O-]	782206180	HRMOZNNDKSKUAS-WZUFQYTHSA-N	314.322	3.727	50	20	DHGD	
CCONC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	790926637	OVULEMWJUYYCAH-LFIBNONCSA-N	315.417	3.585	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cccc(SC(F)F)c1	792295397	NRHBKZCVHSZWDX-UHFFFAOYSA-N	324.356	3.853	50	20	DHGD	
N#CC(C#N)=CNc1cc(C(F)(F)F)ccc1Br	794844889	AUKMUFXJFQXXQB-UHFFFAOYSA-N	316.080	3.811	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1nc(C(F)(F)F)cs1	795162827	AIGCPSUKRTWYOT-LLVKDONJSA-N	309.357	3.821	50	20	DHGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1ccsc1	802395158	BRKHBUMWSOEYIH-MRVPVSSYSA-N	313.785	3.928	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2cc(Cl)ccc21	804346634	QIKZFMMIURGHPT-ZROIWOOFSA-N	324.767	3.542	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C(\C)N)n2)cc1Cl	806553740	XRFKOYACRDQQPE-CSKARUKUSA-N	305.790	3.685	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cnccn3)n2)cc1	809155090	OIEYKXBOWBAMCD-ZSOIEALJSA-N	304.378	3.973	50	20	DHGD	
CCC[C@@H](CC)NC(=O)/C(C#N)=C/c1ccc(OCC)cc1	813428301	VUDUGURDJJRAKZ-ASNKMWSDSA-N	300.402	3.687	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1ccc(OC)c(OC)c1	814700653	ZKVGHOHVSVGWGS-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccc(Cl)o3)cc2C1	814759916	SIEYZMJRMKRPFM-VIFPVBQESA-N	322.817	3.883	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(OCc2ccccc2)cc1	816604976	FJDMCJKEASJOFW-UHFFFAOYSA-N	324.207	3.799	50	20	DHGD	
Cc1cc(OCC(=O)N(C)CC(Cl)Cl)cc(C)c1Cl	819843356	KTWBULBGKNYJAL-UHFFFAOYSA-N	324.635	3.598	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCC[C@@H]1c1ccccc1	825915767	ZPLMOBNEUMTPFZ-KGLIPLIRSA-N	316.351	3.992	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C[C@H]1C	828827897	CNQHITLBYRITPI-GMTAPVOTSA-N	315.339	3.616	50	20	DHGD	
COc1cccc(C2(C(=O)NNc3ccc(C(C)C)cc3)CC2)c1	837052564	BTVNTZSPNKJFLX-UHFFFAOYSA-N	324.424	3.994	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NCC(Cl)Cl	837645104	GHGLTMWMQPEZQJ-MNOVXSKESA-N	300.229	3.896	50	20	DHGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CS1	840420247	ROBYIHPUOFWCKD-RISCZKNCSA-N	307.463	3.504	50	20	DHGD	
CCOCCCC(=O)NNc1ccccc1Oc1ccccc1	846461880	GHJFWJINWBLDIX-UHFFFAOYSA-N	314.385	3.739	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)N(C)CC(Cl)Cl)cc1	848081485	ABLBGSHXHIBSQK-JTQLQIEISA-N	304.217	3.740	50	20	DHGD	
CCn1cc(CCN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cn1	852525038	RWAINMGRCLKMAN-MRXNPFEDSA-N	323.557	3.542	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2ccc(C)c(F)c2)cc1	856230170	HILQNYZSTKDKDF-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
CC(C)N(Cc1ccco1)C[C@H](CBr)C1CC1	859094101	BOGOJSTWDDOYQM-ZDUSSCGKSA-N	300.240	3.911	50	20	DHGD	
COc1cc(OC(=O)OCC2CCCCC2)ccc1[N+](=O)[O-]	859142792	WYTQGBWSTYOMSY-UHFFFAOYSA-N	309.318	3.699	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1ccc(F)c(Cl)c1	863080832	PEBDILGOPOQVAB-UHFFFAOYSA-N	316.804	3.644	50	20	DHGD	
CN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)C[C@H]1Br	905280101	SHFTVISDIFYXLI-KCJUWKMLSA-N	322.655	3.533	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C(C)C1CCCCC1	916304546	CUHSGNSQCLZGJA-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
CC(=NNC(=O)COc1ccccc1Cc1ccccc1)C(C)C	916305022	UYJCEEBURKTGGC-UHFFFAOYSA-N	324.424	3.804	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)c1ccc(Br)s1	916354020	BGUSCLVLBZXLDJ-ZETCQYMHSA-N	303.225	3.662	50	20	DHGD	
CC1=CC(=NNC(=O)c2nnc(-c3ccccc3)o2)CC(C)(C)C1	920382652	KLSDLGUAZDNXGF-UHFFFAOYSA-N	324.384	3.589	50	20	DHGD	
Cc1cc(NNC(=O)c2coc3c2C(=O)CCC3)ccc1Cl	928340356	XTRYGKIXCXAMFG-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
O=C(NCCCSc1ccccn1)c1cccc(CCl)c1	1338995394	HCIGUFKNFOWEHR-UHFFFAOYSA-N	320.845	3.733	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1F	1341112745	STABVHWKPNUFGZ-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
CC(C)NC(=O)c1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1346199825	FOLMNMCENPNIMT-UHFFFAOYSA-N	322.836	3.561	50	20	DHGD	
Cn1c(/C=C(\C#N)c2ncc(C(C)(C)C)s2)ccc1C(=O)O	1608086675	CRMKVJWYWUJSLV-JXMROGBWSA-N	315.398	3.541	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1ccc(F)cc1F	104129997	NPTABQPLFLEFCW-NSHDSACASA-N	322.380	3.730	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2ccc(Cl)cc2)c1	120128339	RWSOPMRRBXPZPP-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1	134270975	QVRQHDCYIYJVCM-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2c(F)cccc2F)cc1	153153834	NWUTWSNLHYUJPP-UHFFFAOYSA-N	307.300	3.512	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2cccc(C(F)(F)F)n2)CC1	153251675	PNHMSMGDJDRLFI-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2cc(C)ccc2C)c1	159158387	OHTWAGQXSBFTFV-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@@H]1c1cccc(F)c1F	159741548	JDGYERQZLDQBPL-OLZOCXBDSA-N	322.742	3.865	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)ccc1Br	179146135	AFJKLYRJWWCXGE-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCCCN(CCCC)C(=O)/C(C#N)=C\c1ccc(O)cc1	194261098	GAFPWFLDKLFTED-SSZFMOIBSA-N	300.402	3.728	50	20	DHGD	
Cc1ccc(SCC(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	248115196	ZRJIDZMHRREKNB-UHFFFAOYSA-N	317.366	3.909	50	20	DHGD	
C=C(CBr)CN[C@@](C)(CC)c1nc(C)cs1	279170293	AAAZOYCCYDTFPV-LBPRGKRZSA-N	303.269	3.617	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	285194527	DKOXLPSDRKYWTD-XNTDXEJSSA-N	307.397	3.816	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)C(C)(C)F)c1OC(F)F	295844485	IEJJJJXSBIVLPO-JXMROGBWSA-N	313.275	3.521	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2scnc2C2CC2)cc1	491011116	NUTUJRGLMBHEKO-MDWZMJQESA-N	309.394	3.875	50	20	DHGD	
CCC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)C(C)C	730568241	FWBVVPFQRANYLS-UHFFFAOYSA-N	315.442	3.891	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1cncs1	734748079	GGFDPFCOSOSEQH-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
O=C(NN=Cc1cccc(OC2CCCC2)c1)NC1CCCC1	743531189	JINNSFYITXCDAG-UHFFFAOYSA-N	315.417	3.584	50	20	DHGD	
CCc1ccc(O)c(C(=O)NNc2ccc(Cl)c(F)c2)c1	746701289	UYQIEMWDNJUIPZ-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
N#Cc1ccc(NNC(=O)CC2CCCC2)cc1C(F)(F)F	746895836	KHLMRVPNYBGJQV-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1cccc(F)c1	748089387	VXROPWGQCRNTON-MAZHCROVSA-N	308.397	3.643	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1C	748571136	VDOVFSGSBYVKRX-OAHLLOKOSA-N	300.377	3.846	50	20	DHGD	
CC(=NNC(=O)Cc1cccnc1)c1cc2cc(C)c(C)cc2o1	749165330	TZMRLQPQNKKSII-UHFFFAOYSA-N	321.380	3.528	50	20	DHGD	
CC1(CC(=O)NNC(=O)c2cc3ccccc3o2)CCCCC1	753187977	KQEQMHLJRGPXJB-UHFFFAOYSA-N	314.385	3.554	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@H]2C[C@H]2c2ccccc2)c1	755507219	QZDVRCYEZGDNQZ-MJGOQNOKSA-N	322.408	3.588	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)cc1C	755508240	MBORSGXGDRVJOJ-HKUYNNGSSA-N	322.408	3.588	50	20	DHGD	
N#CCc1ccnc(NC(=O)CCCC[C@H]2CCSS2)c1	763913412	DOXQOZRLFCTBQF-ZDUSSCGKSA-N	321.471	3.800	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ncc(Cl)s1	768191672	NUOIBSMGZZGEMT-ZCFIWIBFSA-N	311.632	3.545	50	20	DHGD	
C#CC[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccccc1	768324685	CWHSNYJJSLOUJC-ZIAGYGMSSA-N	322.246	3.677	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C/C=C\c1ccco1	773095580	ZCJHQXRJYWPQPS-WMGRZOQKSA-N	318.760	3.516	50	20	DHGD	
O=C(NNc1ccccn1)c1cc2c(Cl)c(Cl)ccc2[nH]1	777473841	RVNXRDPUNGSDPH-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1ccccc1CN(C)C(=O)/C(C#N)=C/c1ccc(F)cc1	785023183	BUXGSUNARGSUTR-GZTJUZNOSA-N	308.356	3.700	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(C)C1CCC(F)(F)CC1	788715458	ZPZJKFZTDFBQOP-UHFFFAOYSA-N	324.371	3.555	50	20	DHGD	
CC[C@H](CSC)NC(=O)NNc1cc(Cl)cc(Cl)c1	790450020	HCGHDHYCGDOALU-SNVBAGLBSA-N	322.261	3.761	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@H]1CCCC[C@H]1C	799755679	PIPNGVXNDBUYGB-CJNGLKHVSA-N	304.434	3.596	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1nc2ccc(OC)cc2cc1C	803059042	XTYFASQIUAZPSJ-GFCCVEGCSA-N	315.417	3.821	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)C1(F)CCCCC1	810042191	MENUMUZLKDUBEK-UHFFFAOYSA-N	315.186	3.565	50	20	DHGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)c1ccc([N+](=O)[O-])cn1	812241674	HYVICNICPZKJQE-POHAHGRESA-N	324.321	3.770	50	20	DHGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cn1	812245524	TWLBSKBFAIUXRM-JYRVWZFOSA-N	318.292	3.709	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCc2ccc3sccc3c2)c1	812489765	CRMVVDCSFJYDAK-UHFFFAOYSA-N	322.393	3.599	50	20	DHGD	
CON(Cc1ccc(Cl)cc1)C[C@@H](C)CBr	812911412	QROUXDIICIJXPV-JTQLQIEISA-N	306.631	3.734	50	20	DHGD	
CCCC(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817015993	ANGBKIKDSLLUDC-UHFFFAOYSA-N	314.229	3.967	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1cc(Cl)nc(Cl)c1	819743982	YTZKBIBAXSGVEB-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
CCSc1cccnc1C(=O)NNc1cc(C)cc(C)c1	824227408	ZMKIWMGHOKZLCP-UHFFFAOYSA-N	301.415	3.567	50	20	DHGD	
CC(C)CCCCC(=O)NNc1nc(C(F)(F)F)cs1	839699952	DRRKQAMHAPWMPH-UHFFFAOYSA-N	309.357	3.821	50	20	DHGD	
COc1cc(F)c(/C=C(\C#N)c2nc(C)c(C)s2)cc1OC	844548041	MMUJAZNIEVEJAZ-LFYBBSHMSA-N	318.373	3.980	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849179825	XEXSVSQMCAWGMJ-MJSCBBHESA-N	323.348	3.546	50	20	DHGD	
O=C(NN=C1CCCC12CCCCC2)c1cccc(Cl)n1	853410382	LABBZRTUTHZDEJ-UHFFFAOYSA-N	305.809	3.955	50	20	DHGD	
Cc1ccc(NNC(=O)CCCOCc2ccccc2)cc1F	856229574	OQDVLHDKTCOADF-UHFFFAOYSA-N	316.376	3.574	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1cccnc1Cl	857082543	OAJYOEWZIARLJM-PEXQALLHSA-N	303.631	3.559	50	20	DHGD	
CC[C@H](NNC(=O)c1cc(C)cs1)c1ccc(F)cc1F	863378842	TVBLNSBNCZTIPO-ZDUSSCGKSA-N	310.369	3.720	50	20	DHGD	
CC(C)(C(=O)NNc1ccccn1)c1ccc(C(F)(F)F)cc1	879394867	SLLZZKRABZGYEO-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
O=C(NN=C1CCSc2ccc(F)cc21)c1ccccc1F	916291236	VNHFTXSZFBPYKJ-UHFFFAOYSA-N	318.348	3.595	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CCCC[C@H]2C)cc1	916337213	DCFWLDYNTRDDFV-ZIAGYGMSSA-N	318.417	3.535	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C[C@H]2CC=CCC2)cc1OC	916349033	UYQSHGAVVXIUCA-AWEZNQCLSA-N	316.401	3.556	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2ccc3c(c2)CCCC3)c1	916549049	NXLASTGBZPSHKF-UHFFFAOYSA-N	308.425	3.868	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](c2ccccn2)C2CC2)c(C)c1	925531819	APTLGXUBQIAZHM-GOSISDBHSA-N	324.428	3.784	50	20	DHGD	
O=C(Nc1ccc(O[C@@H]2CCOC2)cc1)C1CCC(Cl)CC1	1123597410	SJSSXZBJKQNTTP-SEEARECTSA-N	323.820	3.590	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)c1nc(N)c2ccccc2n1	1320276065	FZAGXZQFVADDSE-XFFZJAGNSA-N	322.755	3.635	50	20	DHGD	
O=C(Nc1nc2c(s1)CCCC2=O)c1cccc(CCl)c1	1521024142	LBFYTKRJVCUBRL-UHFFFAOYSA-N	320.801	3.653	50	20	DHGD	
O=C(NCC1([C@H]2CCCO2)CCC1)c1cccc(CCl)c1	1551615537	XVGAZUXCCRQMFI-OAHLLOKOSA-N	307.821	3.505	50	20	DHGD	
CCCCCC(C)(C)CNC(=O)NNc1cccc(C(=O)O)c1	1595663028	PSHZFQHHLVQKFC-UHFFFAOYSA-N	321.421	3.617	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)c1oc2ccccc2c1C	53958703	PGKRFOBUKBSBHF-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
N#CC(C#N)=CNc1ccc(OCc2ccccn2)c(Cl)c1	65832345	DYEWTIBSWXIOIK-UHFFFAOYSA-N	310.744	3.657	50	20	DHGD	
COc1ccccc1C[C@H](C)CC(=O)NNc1cccc(C)c1	109426892	WTBGEQJUWZJMCP-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
CCC[C@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	113423046	GGIBGPNAOQWZOM-LBPRGKRZSA-N	307.463	3.564	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2csc(-c3ccccc3)n2)cc1	120408335	WQBHAZGEKLNVEX-UHFFFAOYSA-N	323.421	3.804	50	20	DHGD	
CC1CCC(O[C@@H]2CCC[C@@H]2I)CC1	158162502	LGLRXUWONSRIKM-MMVSWEMESA-N	308.203	3.938	50	20	DHGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(F)cc1C	160708990	LUDSOMGYKDKVOB-OAHLLOKOSA-N	320.339	3.574	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NNc2ccc(F)cc2)cc1	170666260	GRHCGECMPRJXND-UHFFFAOYSA-N	315.392	3.819	50	20	DHGD	
CCCCCCCOc1cccc(/C=C(\C#N)S(C)(=O)=O)c1	255007348	ARDMWBMNVANNKQ-GHRIWEEISA-N	321.442	3.945	50	20	DHGD	
O=C(/C=C\Sc1ccccc1)NNc1ccc(F)cc1F	255668511	GNQDYSOIQNYHRV-HJWRWDBZSA-N	306.337	3.714	50	20	DHGD	
O=C(NN=C(/C=C/c1ccccc1)c1ccccc1)c1ccc[nH]1	725855314	YGNFRQHDPOVFIG-QUILAZDKSA-N	315.376	3.862	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNC(=O)CC(C)C)c1ccccc1	728137447	URKWKJOIEMUSFW-MRXNPFEDSA-N	319.449	3.685	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C)cc1C	734093348	BGCWPRAXHRTMJS-UHFFFAOYSA-N	316.788	3.816	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(C)s1	744775661	FHROKGJJSQDCOR-UHFFFAOYSA-N	308.790	3.570	50	20	DHGD	
CN(NC(=O)NCc1c(Cl)cccc1Cl)c1ccccc1	746231202	LAIVQQMXSWUSPR-UHFFFAOYSA-N	324.211	3.844	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2ccc(Cl)cc2F)c1C	747646954	WEANNYWSXUVVLV-UHFFFAOYSA-N	304.752	3.860	50	20	DHGD	
C=CCCC(=NNC(=O)COc1ccc(Cl)cc1)C1CC1	747741353	SBNOZWXDMUMYNK-UHFFFAOYSA-N	306.793	3.567	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)COc1ccc(C(C)C)cc1	748548720	HICIOUHVKTXYBE-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
Cc1nccc([C@@H]2CCCN(/C(=C/C#N)c3ccc(F)cc3)C2)n1	750794895	LGILPMVWKKFSJP-UIRAKXSFSA-N	322.387	3.668	50	20	DHGD	
CC1(CNC(=O)CCCC[C@H]2CCSS2)CCOCC1	753326197	OPKKKAXHBBXUAN-ZDUSSCGKSA-N	317.520	3.633	50	20	DHGD	
O=C(NN=CCCc1c(F)cccc1Cl)c1ccccc1F	755483915	KBGHNMHJNFRNPA-UHFFFAOYSA-N	322.742	3.967	50	20	DHGD	
CC(C)(C=NNC(=O)Cc1cccc2ccccc12)CCC#N	755631571	ISHITGJUOCGMMQ-UHFFFAOYSA-N	307.397	3.814	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1ccc(F)cc1	760212022	SEMHMHQALIWZRJ-WJDWOHSUSA-N	317.323	3.801	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cn1	764888859	ZBTBNMLEKQRNCQ-AWNIVKPZSA-N	305.312	3.800	50	20	DHGD	
C[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CC(C)(C)C1	768450295	PDCOWGPALLJFCD-GHMZBOCLSA-N	304.272	3.691	50	20	DHGD	
C[C@H](CBr)COC(=O)C(C)(C)c1cccc(F)c1	770377013	ZZTFFPINWDVNRX-SNVBAGLBSA-N	317.198	3.678	50	20	DHGD	
CC[C@H](NC[C@H](C)CBr)c1ccccc1OC	770668272	XVCPWYNFTCLPEB-YPMHNXCESA-N	300.240	3.767	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc(Cl)cc1F	783512759	CCJNMKRHVGBCNX-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](C(F)(F)F)C2)c(O)c1	783514217	MRIBFLNMLQNLCJ-JTQLQIEISA-N	314.307	3.539	50	20	DHGD	
CC(C)CC1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCC1	787430777	KXWZPBMYOMZQJC-MHWRWJLKSA-N	312.413	3.632	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COC2CCC(C)CC2)c(C)c1	793706449	LULGSXYSSKAHOK-UHFFFAOYSA-N	304.434	3.650	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(O)c1O	794954399	UQOSJZJRABSUQS-UHFFFAOYSA-N	314.385	3.595	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2c(C)cccc2CC)cc1	799756690	HGPXTJYCDZFOIL-UHFFFAOYSA-N	310.397	3.907	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCCc2c(O)cccc21	799760251	CRACLSLBBLXYCA-QGZVFWFLSA-N	324.424	3.826	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ncc(Cl)cc1Cl	803118962	KPZBCYMSTAAVML-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
CCCN(NC(=O)[C@H](C)c1ccccc1F)C(=O)OC(C)(C)C	804592038	UIRCIGYILWQNPL-GFCCVEGCSA-N	324.396	3.608	50	20	DHGD	
CC(C)c1scnc1C(=O)NNc1ccc2ccccc2n1	810917347	JUGKHURFLODWGN-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
N#C/C(=C/c1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cn1	812244853	JKMQYGKFVIPGAB-ZROIWOOFSA-N	302.293	3.602	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2c(c1)COC2	812769640	QLPVJKCXJXGDBI-UHFFFAOYSA-N	310.397	3.906	50	20	DHGD	
CC(C)(CCNC(=O)/C(C#N)=C/c1ccc(F)cc1)C1CC1	819149296	GEJZEUGXZWMQBP-SDNWHVSQSA-N	300.377	3.675	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1C[C@]12CCCc1ccccc12	819843462	MDTHXVXCDXJCAJ-BBRMVZONSA-N	312.240	3.543	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@]2(C)CC2(Cl)Cl)c1	827180779	MMGCWRLYLXZRAO-CYBMUJFWSA-N	301.217	3.721	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](c2ccccc2)N(C)C)cc1	837052457	FKTVYRVFLNCFIW-SFHVURJKSA-N	311.429	3.556	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1cc(F)ccc1F	851894845	BNTLMALJPIOXPO-AQUOVQTQSA-N	304.178	3.789	50	20	DHGD	
CN(N=Cc1cc(F)ccc1OC(F)F)C(=O)OC(C)(C)C	853291794	JCHXWQWOQCNFES-UHFFFAOYSA-N	318.295	3.628	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ncncc2Cl)C1	853897599	MWYJBUXZZIZKJV-NSHDSACASA-N	313.905	3.731	50	20	DHGD	
CCN(C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCCCC1	856950511	BOLRNGGTQNPQDO-TZMCWYRMSA-N	317.271	3.524	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(C(F)F)nc1	857082884	RKURWIBNRLLKLQ-KDDOJWQBSA-N	319.193	3.843	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	858551516	IIAYSNZJSOAQRW-YHAQOWFVSA-N	323.780	3.518	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCF)c1nc2ccccc2s1	872437939	UFKDFWKDWQDIKO-JTQLQIEISA-N	305.378	3.542	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1cc(F)ccc1F	916315400	QHXBWCKKULAZHT-UHFFFAOYSA-N	320.364	3.669	50	20	DHGD	
CCN(CC)CCC(=O)NN=C1CCC(c2ccccc2)CC1	916354687	HSKMKOODJVVPMQ-UHFFFAOYSA-N	315.461	3.548	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1c(F)cccc1Cl	916661972	LJLUUZCLJUJIEO-UHFFFAOYSA-N	305.740	3.943	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2ccccc2Cl)c(C)c1	918227348	IDSWZGMRULOVRB-UHFFFAOYSA-N	303.793	3.783	50	20	DHGD	
CCOC(=O)NN=C(C)CCc1cccc(C(F)(F)F)c1	920361268	JNPKDZHGKWDCSS-UHFFFAOYSA-N	302.296	3.760	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2)C1CCCCC1	1339573280	AUXKGWJCHRGZNN-QGOAFFKASA-N	308.425	3.873	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(C)c(Cl)c2)cc1C	1341928358	IBMAEPBDPCILEJ-NSHDSACASA-N	320.824	3.881	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(C)c1	3570547	OQQKQQFXQTUHFV-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1ccnc2ccccc12	106925054	NLSLXYQTQQSCPB-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@H]1c1sccc1C	118988648	IADINDYTEQAYLU-CHWSQXEVSA-N	304.390	3.751	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2ccccc2n1	120264921	GXWYWLXUSGOKIP-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)cc1	133011555	PJNPSMOVTNAFDS-UHFFFAOYSA-N	312.417	3.581	50	20	DHGD	
CCCCSCCC(=O)NNc1ccnc2ccccc12	155167824	ASNGNURDZZHFKS-UHFFFAOYSA-N	303.431	3.601	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccccc1)c1cc(F)ccc1F	156106255	LSMLWZBYEGSERE-HNNXBMFYSA-N	305.328	3.742	50	20	DHGD	
CCSc1ccc(C(=O)NNc2cc(C)ccc2C)cn1	159185997	MIOZFCITTUNOAR-UHFFFAOYSA-N	301.415	3.567	50	20	DHGD	
CC1=NN(c2ccc(C(=O)NNc3cc(C)ccc3C)cc2)CC1	159284634	VSALHNPVAXXTSE-UHFFFAOYSA-N	322.412	3.646	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(F)c(F)c1	159791948	BPLZKNWIAFNICC-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CCOc1ccccc1/C=C(\C#N)C(=O)N(C)c1ccccc1	171982213	RXNVLEJVNVLLFW-DTQAZKPQSA-N	306.365	3.655	50	20	DHGD	
CN(C)c1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	181124145	XHSKKTVYJKBNLT-UHFFFAOYSA-N	311.429	3.807	50	20	DHGD	
O=C(/C=C\Sc1ccccc1)NNc1cc(F)c(F)c(F)c1	255617510	RICVBYGNUFBRRV-SREVYHEPSA-N	324.327	3.853	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	293741527	RKURZOQELWTHHF-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCCc2occc21	490845954	UJWOCOHLCOLQDT-DDKJEQMHSA-N	310.328	3.519	50	20	DHGD	
CCC(C)(C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	726767057	DYTCIMPHXHSJKQ-UHFFFAOYSA-N	322.474	3.604	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CC[C@H]2CCCC[C@H]2C1	729935039	IUTCVPAFLVSQJM-ZBFHGGJFSA-N	314.429	3.787	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccc(F)cc1	746672426	OYURVVNPMIVIIT-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1cccc(Br)c1)CC	748034727	YQHSWKYBGRJKQA-PXGQUBIOSA-N	309.207	3.805	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1CCOC1	748673151	ZCJXPFJCVJFLTD-LBPRGKRZSA-N	318.442	3.750	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)nc1)c1ccc2ccccc2c1	748786424	PQQIYVGKBRQCTE-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1ccc(Cl)c([N+](=O)[O-])c1	749451893	LHEFJBMQWAZJKY-UHFFFAOYSA-N	323.780	3.669	50	20	DHGD	
O=C(Cc1cccc(F)c1)NNc1cc(Cl)ccc1Cl	752811156	XIUDZYHXKKLMND-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1occc1C	767759438	NMLNGIYOPDADBW-UHFFFAOYSA-N	320.389	3.750	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2ccc(C3CCC3)cc2)cc1	786233885	DJWUZVKRTYFXPB-UHFFFAOYSA-N	306.369	3.974	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(Cl)cccc1CC	792634033	YVNZDXRTDRMWPU-JLHYYAGUSA-N	311.834	3.982	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H](F)CC1CCCCC1	793709450	RMLGIMLHLWOYKZ-ZDUSSCGKSA-N	300.324	3.716	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](c1ccccc1)C(C)C	795530780	YCSBZTNJWFPPFF-CQSZACIVSA-N	311.219	3.921	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cccc2cnccc12)c1cccnc1	797949480	UQLOAIKPPONSPJ-GOSISDBHSA-N	320.396	3.513	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(C(F)(F)F)[nH]1)c1ccccc1	807971154	KOYXFCUTMLOJNX-CYBMUJFWSA-N	323.318	3.677	50	20	DHGD	
C[C@@H]1C[C@H](CNCc2ccc(OCCCCl)cc2)CCO1	811487057	STCSKWXWOKRWJM-GDBMZVCRSA-N	311.853	3.599	50	20	DHGD	
Cn1cc(C(=O)NN=Cc2cc3ccccc3o2)c2ccccc21	812452969	NIXGBBLOOUZIIY-UHFFFAOYSA-N	317.348	3.688	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C(C)(C)c1cccnc1	812761890	FVNRROATYONNOU-UHFFFAOYSA-N	311.429	3.934	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21	813443712	HZOPQYYVATZREZ-WAFIBAPDSA-N	324.330	3.675	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2ccc(COc3ccccc3)o2)C1	814762231	SNQZTECVMWFTPT-ZDUSSCGKSA-N	312.369	3.764	50	20	DHGD	
O=C(NNc1ccccc1)c1ncsc1Nc1ccccc1	816840451	PEJJHRYKOFAYDH-UHFFFAOYSA-N	310.382	3.644	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCC2(F)F)c(Cl)c1	838673137	LRRAHVGLJVIPMX-JTQLQIEISA-N	317.767	3.710	50	20	DHGD	
O=C(NCCC1CC(F)(F)C1)NNc1ccc(Cl)c(F)c1	838735994	YGTZVBXHCUWZCE-UHFFFAOYSA-N	321.730	3.541	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1F	844274823	HMPSEKPMQSLLTO-QPEQYQDCSA-N	305.349	3.755	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC[C@H](c2ccccc2)[C@H](CO)C1	852520844	PHCWQUSKMNXLPY-PDRBGEHDSA-N	318.420	3.649	50	20	DHGD	
CCC(CC)N(C(=O)NC[C@]1(C)C[C@H]1Br)C1CC1	856954643	IGGAHAXZSQCTOH-OCCSQVGLSA-N	317.271	3.523	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1ccc(F)cc1F	859451555	AOSZMJBZKZAZGK-SECBINFHSA-N	319.145	3.543	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@]2(C)CC2(F)F)C1	912581330	GSJQRUWPQLRGBS-RISCZKNCSA-N	319.468	3.654	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)NNC(=O)c1ccc(CC)cc1	915886987	JXLYVAFTSQAJPG-AWEZNQCLSA-N	319.449	3.552	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2Cl)ccc1[N+](=O)[O-]	916969478	YJODBXCJZYKWLG-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)c1ccccc1Cl	1326359334	RKFGCLQPSZFMGI-CYBMUJFWSA-N	322.836	3.874	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(CC(F)(F)F)CC1	1528400913	KYHCMPXYHWQBLG-UHFFFAOYSA-N	311.775	3.975	50	20	DHGD	
CN(CC(=O)O)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	1604113817	FWHSKXBFLFJHJB-UHFFFAOYSA-N	323.509	3.725	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNc2ccc(F)cc2)cc1	45970634	KSLFZPYMIMRZEX-UHFFFAOYSA-N	323.371	3.990	50	20	DHGD	
C[C@@H](CCOc1ccccc1)C(=O)NNc1c(F)cccc1F	80765135	MVYPDPOZUGXXNF-LBPRGKRZSA-N	320.339	3.513	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)oc1C	125401140	QXJOICVUSSDFHU-NVNXTCNLSA-N	323.348	3.781	50	20	DHGD	
N#C/C(=C\C=C\c1ccc(F)cc1)c1nnc2n1CCCCC2	158682585	PXDZWELJKSLPJD-VCXFDYNHSA-N	308.360	3.764	50	20	DHGD	
CCn1c(C(=O)NNc2ccc(F)cc2C)cc2ccccc21	160936367	XOVYKVNREPDVIQ-UHFFFAOYSA-N	311.360	3.866	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3cccs3)on2)c1	177374411	SWJVRDNJWJYOHT-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
CCOC(=O)CC[C@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	255119982	MOFVTEOOFOMDBS-UWCCDQBKSA-N	312.413	3.606	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)o1	255510275	VHKDHHODUDUJOI-DEKNZBOESA-N	320.392	3.669	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1cc(F)c(F)cc1F	285837040	SOQCVPVDSAQLMK-UHFFFAOYSA-N	312.291	3.886	50	20	DHGD	
Cc1noc(C)c1CC(=O)NN(c1ccccc1)c1ccccc1	302107691	IMWFFOBTJSAOKH-UHFFFAOYSA-N	321.380	3.703	50	20	DHGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)c1cnc2ccccc2n1	588580194	CMAYVSNDGMWLGK-WZUFQYTHSA-N	308.322	3.664	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)CNc1ccc(C)cc1	727254074	NDXKBNIMWZDABX-HNNXBMFYSA-N	301.434	3.869	50	20	DHGD	
CC(C)CC(=NNC(=O)c1cccc(C#N)c1)c1ccccc1	728784373	BYOYQWNWFZXICG-UHFFFAOYSA-N	305.381	3.738	50	20	DHGD	
O=C(NCc1cc2ccccc2o1)NNc1c(F)cccc1F	735759335	SLZWBDUNAUAULG-UHFFFAOYSA-N	317.295	3.537	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2c(C)cccc2C)cc1	738581016	VMPMMSCWINIGII-BOPFTXTBSA-N	321.376	3.962	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cc(Cl)ccc1Br	743438627	WLKVPUGBHZBZDZ-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(OC2CCC2)cc1	743455045	HKCUAWNIKGMNPH-UHFFFAOYSA-N	318.323	3.653	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1Cc2ccccc2S1	746699906	LUAQHJCRUYDPLJ-CQSZACIVSA-N	322.792	3.639	50	20	DHGD	
CCn1c(C)cc(C=NNC(=O)c2ccc(Cl)cc2F)c1C	747643255	CXFOJMQPOJPOKB-UHFFFAOYSA-N	321.783	3.681	50	20	DHGD	
CC(=NNC(=O)Cc1ccncc1)c1cc2cc(C)c(C)cc2o1	749163892	BOROLHVTHKAGMZ-UHFFFAOYSA-N	321.380	3.528	50	20	DHGD	
Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)o1	767897283	VDJLGMZXICEYEJ-UHFFFAOYSA-N	322.817	3.792	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(Br)c(F)c2)CC1	771688905	KMZYFVAUMIPWFE-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cccc(OCC#N)c2)ccc1[N+](=O)[O-]	774560214	WYXJTDALKGAHHA-MHWRWJLKSA-N	319.320	3.870	50	20	DHGD	
CC(C)(C)OCC(=O)NN(Cc1ccccc1)c1ccccc1	777876343	FGUABWAHKRVVQM-UHFFFAOYSA-N	312.413	3.540	50	20	DHGD	
CCCCCCC(=O)NNc1ccccc1OC(F)(F)F	779218091	UNNNAQLGQAHXER-UHFFFAOYSA-N	304.312	3.999	50	20	DHGD	
O=C(Cc1ccccc1F)NN=C1CC(c2cccc(F)c2)C1	781592432	BKZWTBPSNAZVAX-UHFFFAOYSA-N	314.335	3.557	50	20	DHGD	
C#CCOc1ccc(C=NN(CCC)C(=O)OC(C)(C)C)cc1	794996281	FUXMWXCKFBXSIK-UHFFFAOYSA-N	316.401	3.680	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)c(Cl)c1	797025681	NQBPUCDZFZERAR-LCYFTJDESA-N	312.756	3.894	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC(F)(F)F)cc1	797094098	XXAUESOBJROIQE-FMIVXFBMSA-N	313.275	3.835	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C2CCC(C(F)F)CC2)cc1	799481653	ZRBDLJULAPNFRN-UHFFFAOYSA-N	324.375	3.685	50	20	DHGD	
CC(C)(COCc1ccccc1)C(=O)NNc1cccc(F)c1	800521616	XBKYCYAKLMHJPB-UHFFFAOYSA-N	316.376	3.512	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1nc2ccc(OC)cc2cc1C	800530574	QVIRLVLHIPIMKI-LBPRGKRZSA-N	315.417	3.821	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccccc1CC#N	812765998	CGDVSLFWPBTVPD-UHFFFAOYSA-N	321.424	3.870	50	20	DHGD	
CN(NC(=O)NCc1ccc(C(C)(F)F)cc1)c1ccccc1	814463837	ZCSZBGQRLPLNHJ-UHFFFAOYSA-N	319.355	3.649	50	20	DHGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)OC(C)(C)C	814692407	BAGNRLJJFJKIDE-ZBFHGGJFSA-N	318.417	3.850	50	20	DHGD	
C[C@]1(CNC(=O)c2ccsc2C(F)F)C[C@@H]1Br	826859548	RXVKGDSPFMAZAF-WRWORJQWSA-N	324.190	3.589	50	20	DHGD	
O=C(NN=C1CCCC12CCC2)c1cc2ccccc2cc1O	834919667	ZGGHXRFOXWTSOO-UHFFFAOYSA-N	308.381	3.985	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC(C)C)c(OC)c1)C1CCC1	834931131	UXEMUFYXSLSPME-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@H](C)CC[C@@H]2C)o1	834950196	QAQIFFNETYZZQA-KGLIPLIRSA-N	319.449	3.663	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2ncc(C(C)C)s2)cc1	836555264	CJMZXHVPFFCXNO-UHFFFAOYSA-N	320.418	3.814	50	20	DHGD	
CC(C)(C)C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	837166423	KAFXWAWYHCDNSS-HEUOVEHFSA-N	312.413	3.584	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccco2)c(C2CCCCC2)n1	840723280	VHCRXJOCWOHJBV-UVTDQMKNSA-N	309.369	3.851	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(OC(F)(F)F)cc1	840735268	OWEVUHONGLKPBW-JXMROGBWSA-N	301.239	3.809	50	20	DHGD	
Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)nc1	844012107	KBLHVDMBGLXPBJ-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
Cc1ccc(NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1F	856230194	IJQYNSVUJRFVDV-LGBHXNNWSA-N	320.383	3.886	50	20	DHGD	
C[C@H](c1ccc(C(=O)NNc2ccccn2)cc1)C(F)(F)F	857482192	QBJIVXWAQWQDRO-SNVBAGLBSA-N	309.291	3.504	50	20	DHGD	
CC(C)CCNC(=O)NN(Cc1ccccc1)c1ccccc1	915880200	ZJUGYQKQUMJWQQ-UHFFFAOYSA-N	311.429	3.954	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C[C@@H]2CC=CCC2)c1	915906869	RUHHPSGYIUAGON-MRXNPFEDSA-N	314.429	3.956	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)C(C)(C)C)c(OCCC)c1	915966901	YCSSIRMIYFJNLD-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1F)c1ccc2ccccc2c1	917547575	WCARAHVSJMIPGX-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1cnn(C2CCC2)c1	934312182	CMNIOVBLAKRBSH-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
C[C@@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)CCl	1319921574	JGGWRBZPRLSYTO-AUUYWEPGSA-N	313.828	3.831	50	20	DHGD	
Cn1cccc1-c1nnc(CCCC[C@@H]2CCSS2)o1	1345512658	HYHKUKWQAPFGTQ-LLVKDONJSA-N	309.460	3.942	50	20	DHGD	
CCCNC(=O)c1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1527474145	LPBOTPZKMQGVNJ-UHFFFAOYSA-N	322.836	3.563	50	20	DHGD	
O=C(NN=C1CCC2(CCC2)CC1)Nc1ccc(C(=O)O)cc1	1776046288	JBQYYZDEMNQAMX-UHFFFAOYSA-N	315.373	3.607	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)c1	59117285	XARQGWXOAPEXOI-LCYFTJDESA-N	312.756	3.894	50	20	DHGD	
N#CC(C#N)=CNc1ccc(OCc2cccc(F)c2)c(F)c1	103057547	VVGGNOWTVLXSBZ-UHFFFAOYSA-N	311.291	3.887	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	110340628	LKRCTENDXDGMBL-GDBMZVCRSA-N	304.434	3.544	50	20	DHGD	
CCCc1cc(C(=O)NNc2ncccc2Cl)sc1C	114885636	MXXBPDMSZYUHFN-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)OC(C)C)cs2)cc1	124801244	IBRMGMHIKDSCNV-ZSOIEALJSA-N	312.394	3.977	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)CC(C)(C)C)c1C	125404274	JLQNIIZABQXBEZ-JYRVWZFOSA-N	316.401	3.721	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1ccccc1Br	153680823	RNGUYVZUGCBRDK-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1nc(CC(C)C)sc1C(=O)NNc1cccc(F)c1	154818343	XIARFGPRLPKFIA-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
COc1ccc2sc(C(=O)NNc3ccccc3)c(C)c2c1	175176513	JUPQRDHFERONMV-UHFFFAOYSA-N	312.394	3.975	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCN3C)s1	178889223	VRXVDYMZPHETIY-XNTDXEJSSA-N	308.406	3.839	50	20	DHGD	
Cc1coc2ccc(NC(=O)NNc3ccc(C#N)cc3)cc12	187979772	ADGJHHHKDPGDTM-UHFFFAOYSA-N	306.325	3.762	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(F)c2)cc1	206266508	HSPIMKQQRXXCES-UVTDQMKNSA-N	310.328	3.770	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1F	727654125	HRJCEMHNSCJUDO-ZROIWOOFSA-N	312.319	3.821	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2noc3c2CCCC3)cc1	731235741	KNTIXBLLYCLSRC-XNTDXEJSSA-N	322.364	3.512	50	20	DHGD	
CCC(=NNC(=O)c1cccc(C#N)c1)c1ccc(Cl)s1	733204549	SXLNFAHIHLQJCI-UHFFFAOYSA-N	317.801	3.817	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C\C1CCCCC1	735437336	NAAMFPDROQSTCS-YFHOEESVSA-N	305.330	3.645	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc2ccccc2n1	741460974	UZAFIRSUUGPMOW-UHFFFAOYSA-N	304.353	3.699	50	20	DHGD	
CCc1ccccc1OCC(=O)NNc1ccc(Cl)c(F)c1	746701752	LKUOVGUEGYNCHT-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	747007524	WTNJXHXBDICCSR-PWDRBQJJSA-N	320.392	3.788	50	20	DHGD	
CC1(C(=O)NNc2ccc(Br)cc2F)CCCC1	748173899	LMXRURULOSBZJZ-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CN(C)c1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	752812136	UIJBADVESXIPHZ-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc(Cl)n1	752812196	VGDLQOKXOCLKJF-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(C#N)c(Cl)c1	753307020	YVBGVUIPYMCGRV-RYUDHWBXSA-N	305.809	3.871	50	20	DHGD	
CCN(CCI)Cc1ccccc1Cl	759338547	ORCMLLUKQZIYGP-UHFFFAOYSA-N	323.605	3.597	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1ncnc2ccsc12)C(C)C	766674663	XKGXIQJVCYNMPM-LBPRGKRZSA-N	320.462	3.987	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1cc(C)ccc1C	768312006	RVMVLNCTMBLTCY-WBVHZDCISA-N	304.434	3.732	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2c(C)cccc2F)s1	771305899	VWQWIAUOXOLCSU-LLVKDONJSA-N	307.394	3.891	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)C1(F)CCCC1	776327203	HAWLGDIXVSKWBZ-UHFFFAOYSA-N	303.289	3.936	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1cccc2cnccc12	777426180	ZGGXKOYEGCSAFK-UHFFFAOYSA-N	323.421	3.643	50	20	DHGD	
CCN(CCc1ccccc1)C(=O)/C(C#N)=C\c1ccc(F)cc1	785185840	TXDLBPABAYLTSV-JXAWBTAJSA-N	322.383	3.824	50	20	DHGD	
C[C@@H]1CCCC[C@H]1OCCOC(=O)/C(C#N)=C\c1ccccc1	785345386	OJEZHQNMUKLFPE-SUBPAYRCSA-N	313.397	3.732	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)[C@@H](C)c1ccc(Cl)cc1	794487938	GJIUAPVIWLDDNL-LLVKDONJSA-N	303.793	3.588	50	20	DHGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)c1ccoc1	798229917	JCPLTMAMLQCCQL-GHXNOFRVSA-N	307.284	3.599	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	802822766	DIVDTKCMCLOIOK-UHOFOFEASA-N	317.389	3.644	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1	804341456	SYHOGWHGTFANLT-IXEVEIBJSA-N	324.424	3.641	50	20	DHGD	
CCCN(NC(=O)[C@@H](C)c1ccsc1)C(=O)OC(C)(C)C	804592121	YOUMPBHYPHPCEP-NSHDSACASA-N	312.435	3.530	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)c1cc(Cl)ccc1O	814777016	NEOZDRNNHHZMQP-UHFFFAOYSA-N	320.801	3.578	50	20	DHGD	
C[C@@H]1C[C@H](NCc2ccc(OCCCCl)cc2)c2nccn21	825016312	AQBJZVJXBUVTSF-CJNGLKHVSA-N	319.836	3.686	50	20	DHGD	
Cc1cnc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)s1	834926730	CBRZDTIKLLSOBK-UHFFFAOYSA-N	301.415	3.513	50	20	DHGD	
CC(C)Nc1ncccc1C(=O)NNc1ccc(C(C)C)cc1	837054535	SXDDZLCEQBKBIV-UHFFFAOYSA-N	312.417	3.782	50	20	DHGD	
C[C@H](CNC(=O)[C@@H](Br)C(C)(C)C)CC(F)(F)F	840516576	FOBZGFRXSPFWSP-JGVFFNPUSA-N	318.177	3.501	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc2c(c1)CNC2	841332461	QIZSROVCJLREAE-UHFFFAOYSA-N	324.428	3.870	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccnn3CC(C)C)[nH]c12	843263127	ANKXLZCNPSQFQT-ZROIWOOFSA-N	305.385	3.788	50	20	DHGD	
Cc1cccc(C(=O)NC[C@]2(C)C[C@@H]2Br)c1Cl	857393572	LMGVVAMHDVXDCU-GWCFXTLKSA-N	316.626	3.552	50	20	DHGD	
COc1cccc(NC(=O)[C@H](Br)C(C)(C)C)c1C	862776911	VGXXQRKOERWCRZ-LBPRGKRZSA-N	314.223	3.752	50	20	DHGD	
Cc1cccc2cc(C=NNC(=O)c3ccccc3)c(Cl)nc12	916248702	IYKSLNFFTLMDJM-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)c1ccccc1F	916291187	RUZFMZMUTMOHNK-UHFFFAOYSA-N	310.250	3.608	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1cccnc1	916369543	GLHMITVMYKMBHD-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
CCCCc1oc2ccccc2c1/C=C(\C#N)S(C)(=O)=O	917212983	SUIJBWWWEOEQSN-ZRDIBKRKSA-N	303.383	3.684	50	20	DHGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1ccccn1	917530567	NPFGCGDHDWKGNW-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
CCCCNC(=O)NN=Cc1csc(-c2ccc(C)cc2)n1	920751430	ZEAUNZOTEBIAFS-UHFFFAOYSA-N	316.430	3.552	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1cc(Cl)ccc1C	1333999848	WNEISQSMVGPTEY-UHFFFAOYSA-N	320.824	3.745	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2oc(C3CC3)nc2C(F)F)c1	1349341459	BMZRRDASEAWUEO-UHFFFAOYSA-N	321.327	3.863	50	20	DHGD	
O=C(NN=CC1CCCCCCC1)Nc1ccc(C(=O)O)cc1	1776045052	JCQMJSRXGIKBEK-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2C#N)cc1	7766024	GCJAKMLDNRPWPK-VCHYOVAHSA-N	302.333	3.517	50	20	DHGD	
CN(C)c1ccc(NC(=O)NNc2ccccc2Cl)cc1	91983950	XCRDPUGWYPLHBZ-UHFFFAOYSA-N	304.781	3.555	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc2ccc(Cl)cc2[nH]1	113432302	PKQBLYARBTWFJL-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1nccc2ccccc12	120153018	IJLFCHSHYQSGJL-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
COc1cc(C)sc1C(=O)NNc1cccc2c1CCCC2	120403599	DPTGSIOVUUDSMS-UHFFFAOYSA-N	316.426	3.701	50	20	DHGD	
O=C(CCC1CCC1)NNc1ccc(OCC(F)(F)F)cc1	124793935	MCVDCVHIFUOXES-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1F	155029317	ZMIZQFARGKKTKT-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
CN(C)c1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	159940374	SMRNMEUYYPVKRP-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	178722990	LZUSSNMMJLXIFA-QDEBKDIKSA-N	314.282	3.524	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCCCC[C@@H]1c1ccc(CC)o1	178968354	MSPGZLPTZMPFKU-FIFPYPGSSA-N	316.401	3.730	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2ccc3ccccc3n2)c1	181076292	XWCQDCNZKPQWOM-UHFFFAOYSA-N	321.380	3.781	50	20	DHGD	
O=C(CCCc1csc2ccccc12)NNc1ccccn1	181258199	ONWXYYJFWPDOAV-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1F	195502944	AQURVRNJDCIHBC-SDNWHVSQSA-N	316.376	3.532	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CC=CCC2)c1C	255622377	HXTKOUXPLJKBPA-FSEPTYSPSA-N	311.429	3.647	50	20	DHGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)N1CC=C(C#N)CC1	271137994	RPJGSLITRVSUIQ-HNNXBMFYSA-N	311.429	3.747	50	20	DHGD	
ClCCCOc1ccc(CNC2(C3CC3)CCOCC2)cc1	368214998	IMEJBZKCUGZGAD-UHFFFAOYSA-N	323.864	3.743	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(-c2ccccc2OC)cc1	495748019	RHASRCKWWRVBHZ-UHFFFAOYSA-N	312.369	3.784	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cccc(C)c2)cc1	588559197	YDPLSTUKYBULIE-GYZOOYGHSA-N	320.392	3.788	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(Cl)s1	727688939	JRCGJGIAQRIRAH-UHFFFAOYSA-N	306.818	3.875	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)C[C@H](c1ccccc1)C(C)C	728513296	VSWPQSGMSWQFHC-SFHVURJKSA-N	324.424	3.586	50	20	DHGD	
CCC(CC)[C@@H](O)CNC(=O)CCCC[C@@H]1CCSS1	732301309	VGCIBEGWGKHJSZ-KGLIPLIRSA-N	319.536	3.614	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2c(F)cccc2F)cc1	735698813	VWXXGFDNNXGWNW-UHFFFAOYSA-N	304.340	3.920	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc2ccccc2o1	740086619	BQTSBTMJMAIEEW-UHFFFAOYSA-N	321.258	3.604	50	20	DHGD	
Cc1ccoc1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	742345838	CPRINMCCAJPQDO-POHAHGRESA-N	304.708	3.926	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc(Cl)cc(Cl)c1	743817375	WKYKREYDNZRALV-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2cccc(C#N)c2)cc1	748030944	KFLDJOMWNWAEHE-UHFFFAOYSA-N	307.397	3.542	50	20	DHGD	
Cc1cc(C)c(C)c(OCCC(=O)NNc2cccc(F)c2)c1	748101891	OIFGCYJMVGNVBH-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@H](C)C(=O)c2ccccc2)c1	748359866	WTNLJVGRXSUCJQ-HNNXBMFYSA-N	310.397	3.656	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1ccnc(F)c1	754297847	BAZZHLWORQTBTJ-QWHCGFSZSA-N	313.376	3.653	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1cc(C)ccc1F	761581033	MOTJQBRCRLJBIG-INIZCTEOSA-N	308.397	3.705	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	764667887	VQQNJYSZQOQCNN-UHFFFAOYSA-N	317.433	3.560	50	20	DHGD	
O=C(NN=C1CCCCCCC1)c1cc(-c2cccs2)[nH]n1	764787127	XQSHCMOPUGLLJG-UHFFFAOYSA-N	316.430	3.968	50	20	DHGD	
COc1ccccc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(OC)c1	766777174	DMSZBANBSFBTEA-ZROIWOOFSA-N	310.309	3.676	50	20	DHGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNc1cccc(F)c1	768093269	IPSWMGVNVXFSNB-CYBMUJFWSA-N	324.355	3.890	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1C[C@H]1Cc1ccccc1	768178578	DPPJDQQWSLTYHP-HZSPNIEDSA-N	324.262	3.543	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccccc1Br	769606915	VVJAUOVCVJVEIW-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)c1cccc(F)c1	770386546	AVMISMBJJJTPQI-VHSXEESVSA-N	303.171	3.503	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2)csc1Br	773454698	JGERIGHAYBEUNC-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1ccc(OC)cc1)c1ccccc1	779377722	SMYAFQFXWMJJEC-GOSISDBHSA-N	310.397	3.888	50	20	DHGD	
CSC1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CCC1	784120587	FRKDBWWSPMNCAC-UHFFFAOYSA-N	317.366	3.939	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(C2CC2)cnc1Cl	793709076	LRPWYDNFXHIVED-UHFFFAOYSA-N	305.740	3.508	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)c2ccncn2)c(C(F)(F)F)c1	794944129	CSWLDBSWGXKVFV-KPKJPENVSA-N	318.302	3.626	50	20	DHGD	
C=C(CBr)COC(=O)Cc1c(F)cccc1Cl	795410409	FXQQZDFFHDEKTI-UHFFFAOYSA-N	321.573	3.516	50	20	DHGD	
CN(Cc1nc(-c2cccs2)no1)/C(=C\C#N)c1ccccc1	796105279	PXXGZAHHOXSRFS-ZROIWOOFSA-N	322.393	3.795	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1OC	798229923	JFJSOVQIBRIZIE-DHDCSXOGSA-N	311.337	3.867	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc2c1CCO2	799427244	YWIYZCBBGNKNDD-UHFFFAOYSA-N	311.385	3.641	50	20	DHGD	
CCC[C@@H](C(=O)OC[C@H](C)CBr)c1ccccn1	799532127	LGPSWDMTTWQSCF-VXGBXAGGSA-N	314.223	3.540	50	20	DHGD	
CSC1(C=NNC(=O)Cc2cccc3ccccc23)CCC1	800810160	MGUHHWKXVYQSBF-UHFFFAOYSA-N	312.438	3.770	50	20	DHGD	
CC(C)(C)Sc1cc(C(=O)NCC(Cl)Cl)ccn1	808130826	BGZVXXLBJLHCKS-UHFFFAOYSA-N	307.246	3.506	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(C2CCCC2)cc1	810282203	NVXKCZMIDXUCIH-UHFFFAOYSA-N	314.429	3.686	50	20	DHGD	
CC(C)(C)c1ccc2[nH]cc(C=NNC(=O)c3cccnc3)c2c1	811629430	QILYHRHMSNTUSD-UHFFFAOYSA-N	320.396	3.624	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC3(CCCC3)CC2)c(O)c1	811639119	OXHNAQODGMMFMQ-UHFFFAOYSA-N	300.402	3.921	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC1CCSCC1	813069264	DXWAHQCAZGKUAC-UHFFFAOYSA-N	321.490	3.888	50	20	DHGD	
CC(C)c1cccc(CNC(=O)NNc2cccc(Cl)n2)c1	814321238	OEGGKBHGPXWNDC-UHFFFAOYSA-N	318.808	3.685	50	20	DHGD	
C=C(CBr)CN1CC[C@@H](c2ccc(CC)cc2)C1	814641536	HNGVBZPFKKMLGJ-MRXNPFEDSA-N	308.263	3.989	50	20	DHGD	
CO[C@@](C)(C=NNC(=O)c1cc2c(s1)CCCCC2)C1CC1	814767692	QEVCHJFPUTYUIE-KRWDZBQOSA-N	320.458	3.548	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@@H](C)C1CCCCC1	814813083	HOOKDGHFYQADMF-CQSZACIVSA-N	302.418	3.556	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@@H]1[C@H]2CCCCCC[C@H]21	830813990	UEIOSVAJQDLTAF-VQFNDLOPSA-N	309.413	3.894	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1)OCC(F)(F)F	853430692	MUBFBDMCKARMBM-LLVKDONJSA-N	300.280	3.599	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cc(C2CCCCC2)[nH]n1	855369510	OSWBREFDSKGXJZ-UHFFFAOYSA-N	316.380	3.662	50	20	DHGD	
C[C@H](CCCC(F)(F)F)NC[C@]1(C)C[C@@H]1Br	857064220	SKWDWMLSVRSHBT-UTLUCORTSA-N	302.178	3.871	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc(F)n1)c1cccc(Cl)c1	861685262	DJQJIPZYQYODOV-CYBMUJFWSA-N	321.783	3.901	50	20	DHGD	
CCCn1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)nn1	865219270	XPUKSPBCGPOSGI-PTNGSMBKSA-N	322.412	3.775	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C/C=C\c2ccccc2)c1C	916336712	NFYCVDZRXFKYLS-JDXROZQLSA-N	322.408	3.886	50	20	DHGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1cccnc1	917531022	OTOMRCJVJVUCPQ-UHFFFAOYSA-N	301.349	3.513	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNc2ccccc2Cl)o1	918077388	CIVTZNKXGUVMGS-PWSUYJOCSA-N	319.792	3.883	50	20	DHGD	
CN(N=Cc1ccccc1N1CCCCC1)C(=O)OC(C)(C)C	920381741	YULPNIJFBASLQZ-UHFFFAOYSA-N	317.433	3.878	50	20	DHGD	
O=C(Nc1ccc(-c2ncc[nH]2)cc1)C1CCC(Cl)CC1	1123638126	ZWKNPGLJRKEFPX-UHFFFAOYSA-N	303.793	3.813	50	20	DHGD	
N#C/C(=C\c1cscc1Cl)c1nc(N)c2ccccc2n1	1253303457	DVZHUJKCJKCGKO-WEVVVXLNSA-N	312.785	3.991	50	20	DHGD	
C[C@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)CCl	1261845945	SQIAKGXHNUUEDH-CYBMUJFWSA-N	305.727	3.782	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1[C@@H](C)N(C)C(=O)CCl	1336910776	CPEYRSHOZQECQL-LLVKDONJSA-N	308.834	3.877	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1ccc(F)c(C(=O)O)c1	1593904357	BTQMXRYJEFNWMS-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cc(F)c(C(=O)O)cc2F)sc1C	1777489269	SKYBCDDSZGINCP-XCVCLJGOSA-N	320.320	3.801	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)cc1	26370917	KPFANURGDCWDIS-UWUHSAQLSA-N	310.180	3.639	50	20	DHGD	
CC(C)OCCCNC(=O)CCCC[C@H]1CCSS1	61485479	ZOBLCHOMOZRQPL-ZDUSSCGKSA-N	305.509	3.632	50	20	DHGD	
Cc1cccc(NNC(=O)CCC(=O)c2cc(C)sc2C)c1	73563272	UHZJLITZLDISPS-UHFFFAOYSA-N	316.426	3.780	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)c1	114991748	NDYLSEUYUDMYFR-WQRHYEAKSA-N	320.392	3.617	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OCC	125523657	YGFKXTJZOVRJRQ-CJAAZZPWSA-N	316.357	3.906	50	20	DHGD	
Cc1cc(Br)cc(C(=O)NNc2cccc(F)c2)c1	135000293	FVMBXSMBZMBCBS-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2cccc(Cl)c2)CC1	154902921	MQVYQSXEBODAJA-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
C[C@H](O[C@H]1CCCC[C@@H]1I)C(F)(F)F	158487498	MPNWWFLFGMQOMM-FXQIFTODSA-N	322.108	3.700	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(Oc3ccncc3)c2)cc1	158900796	PTCQKUDYYOFKAN-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
Cc1ccc(-c2ocnc2C(=O)NNc2ccc(F)cc2)cc1	173032581	VDLYOLHARVPGPZ-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1cccs1	181269406	CUXMAERSRLWGBN-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@H](c2ccccc2)C1	182486637	DDYTUNIDOONHCO-BOFQVRIASA-N	320.367	3.749	50	20	DHGD	
CC[C@@H]1C[C@H](C(=O)NNc2c(Cl)cccc2Cl)CCO1	184210003	FJOFPWPVWWOOEX-NXEZZACHSA-N	317.216	3.642	50	20	DHGD	
CSc1c(F)cc(NC(=O)NNc2ccccc2)cc1F	184373828	OSQBFUKAMHWHHS-UHFFFAOYSA-N	309.341	3.835	50	20	DHGD	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1cnc2ccccc2n1	191350163	MZMPNDYRDSDSCU-MDWZMJQESA-N	302.293	3.602	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2cccc3ccccc23)cc1	254739540	LJUNVVFWWNQKMN-UHFFFAOYSA-N	318.376	3.677	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	255060301	KEXFXFQVFHQJOR-VQCBNXJZSA-N	307.397	3.999	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1C	588597611	WQPFDICFDSXSTH-GDNBJRDFSA-N	303.365	3.955	50	20	DHGD	
CC(C)C1(C)CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	588609924	CJECTPKAVHVRAT-FOWTUZBSSA-N	312.413	3.584	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1F	588619191	NVGITEHIZIPRNC-XGICHPGQSA-N	317.266	3.902	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc(F)c(F)c2F)CC1	728715917	LPYAFWOABSBMEG-UHFFFAOYSA-N	320.314	3.587	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)s1	731159469	RVFLJVPNZWJSMO-GHXNOFRVSA-N	311.362	3.829	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCOc2ccccc21)c1ccccc1	731931325	FIHPZKUKEYYZKY-INIZCTEOSA-N	322.408	3.873	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1c(F)cccc1F	735698043	IDIGTQWGDLWCTI-UHFFFAOYSA-N	308.353	3.834	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc2ccccc2n1	741463265	DGSDUOHRHGYIHA-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1)c1ccc2ccccc2n1	747735700	IDRAYQQMKFITHZ-NZHCUWTPSA-N	319.339	3.803	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1cccc2c1CCCC2	748586035	TXQLBXNUWPVSPY-UHFFFAOYSA-N	308.425	3.950	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)c1cccc(Cl)c1)C1CCCCC1	750715824	DVVIWWVAFGQBFF-GFCCVEGCSA-N	322.836	3.708	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(F)cc2C)n1	750900196	KHCAXVAHLKXIJQ-GHXNOFRVSA-N	316.357	3.832	50	20	DHGD	
CC(=O)NN=Cc1nc(-c2cc(Cl)ccc2Cl)cs1	755466985	CIMCGFKRWHZRES-UHFFFAOYSA-N	314.197	3.587	50	20	DHGD	
CCc1nc(C=NNC(=O)c2cccc3ccccc23)cs1	755743161	KKMPGZAJSWZMHY-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
O=C(CC1CCSCC1)NNc1cc(Cl)ccc1Cl	762551015	USCKXKFZHLZHGI-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1ccc(F)cc1F	769959504	AMPDAIGKVJVKJO-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)NCCc1cccs1	773201049	OLOJNQABZPIPKA-ZFWWWQNUSA-N	305.447	3.568	50	20	DHGD	
CCc1cc(OS(=O)(=O)CCCCCl)ccc1Cl	773327519	SFOLQJFGBZXXST-UHFFFAOYSA-N	311.230	3.630	50	20	DHGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccccc1F	773480499	DHWHJSGEHWQURM-UHFFFAOYSA-N	316.376	3.898	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1cccc(F)c1	775781888	YJTAZLCKGPDAMK-AWEZNQCLSA-N	300.377	3.928	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	776488951	UPADRHCBYWPSJK-BDAKNGLRSA-N	304.287	3.724	50	20	DHGD	
O=C(NNc1ccccn1)c1cc2c(Cl)cccc2s1	777474410	BASFQWZVVLMCSN-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNc1ncncc1Cl	781824809	HKKPPTBKTPQIKQ-ZDUSSCGKSA-N	324.856	3.960	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCC2(CCCO2)CC1	788016694	VZLGONJUCJYRJQ-UHFFFAOYSA-N	301.390	3.596	50	20	DHGD	
N#C/C(=C1\COc2ccc(F)cc21)c1cnc2ccccc2n1	790227058	DIBVFGUXQZLSAX-YPKPFQOOSA-N	303.296	3.596	50	20	DHGD	
C=CCC[C@H](NC(=O)NNc1ncccc1C)c1ccccc1	791033306	PVYJUSOVKXMGSN-INIZCTEOSA-N	310.401	3.724	50	20	DHGD	
CCc1ccc(-c2ccc(C(=O)NNc3ncccc3C)o2)cc1	791221060	PJZVUOJXQBDGTM-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	793713849	UJAIBIJJNLXREY-GXSJLCMTSA-N	300.324	3.763	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1c(F)cccc1F	798981207	COYGGVDXYKLIHS-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
O=C(CCCCCc1ccc(F)cc1)NNc1ncccc1F	804217668	GDGFAQLCFQHQCS-UHFFFAOYSA-N	319.355	3.606	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)c1	806083862	QEROCHZHINCQPT-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
CC(C)Cn1ncc(NC(=O)NNc2ccccc2)c1C1CC1	806815105	ABAUGCDVHXAYAK-UHFFFAOYSA-N	313.405	3.565	50	20	DHGD	
O=C(CCc1ccc(Cl)cc1Cl)NCC(Cl)Cl	808131498	WUPJPQLJLIVZHO-UHFFFAOYSA-N	315.027	3.846	50	20	DHGD	
CNc1ccc(Cl)c(C(=O)OC[C@H](C)CBr)c1	808612158	ZSGBXOXPWSOQJO-MRVPVSSYSA-N	320.614	3.570	50	20	DHGD	
CCN1CCC[C@H](CNCc2ccc(OCCCCl)cc2)C1	811476533	MLPRGHFEDWNMRR-QGZVFWFLSA-N	324.896	3.516	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1OCCc2ccccc21	812765408	HNDIESIVKZQVHZ-LJQANCHMSA-N	324.424	3.876	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCS[C@@H]2C)cc1	814736678	SRXBALIPDSOXQT-CYBMUJFWSA-N	320.458	3.723	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1CCC(C)(C)CC1	816485902	FAFCDKCLEIDYKH-UHFFFAOYSA-N	324.856	3.913	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2cccc(Cl)c2F)cc1	817882313	IMTBLKUYIFTZCN-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1ccnc1C(C)C	823077258	SABUAZIIUMPPKS-UHFFFAOYSA-N	314.433	3.582	50	20	DHGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	828822216	FHVZZUDFZDYUOZ-CMPLNLGQSA-N	315.339	3.760	50	20	DHGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CC2(CCCC2)O1	830854205	OMZOMVZISSHESS-CNGOAVBNSA-N	300.377	3.724	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(C)cc2Cl)CCO1	836935826	BUZVTQHTCXWNAJ-OLZOCXBDSA-N	310.825	3.687	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NCCC1CC(F)(F)C1	838736831	YQNBGKLTXWRFSD-UHFFFAOYSA-N	317.767	3.710	50	20	DHGD	
C[C@H](CCCc1cccnc1)NC[C@@]1(C)C[C@@H]1Br	852161611	QZNNYZHGGMZRCR-VHDGCEQUSA-N	311.267	3.556	50	20	DHGD	
C=CC[C@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	855438752	OBCQFRLGDIIZPL-RYUDHWBXSA-N	302.256	3.611	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1cc(F)cc(Cl)c1	855621995	SUZRVKKJGKEYRT-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	861914695	JOVBBIFTTMOKSC-FVQBIDKESA-N	312.800	3.677	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)[nH]1	865220091	CVXUXIRQFKMUDX-XFFZJAGNSA-N	315.398	3.835	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1cccnc1Cl	868492469	WORKAGTXPGPPPM-UHFFFAOYSA-N	317.820	3.853	50	20	DHGD	
CCCCN(CCCC)C(=O)c1c(C)nn(CCCl)c1C	901938378	SUMHBDOOPOCCBQ-UHFFFAOYSA-N	313.873	3.781	50	20	DHGD	
COc1ccc(C=NNC(=O)Nc2ccccc2C)c(Cl)c1	915972221	XCLXLZOXNMCFNR-UHFFFAOYSA-N	317.776	3.813	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C(C)CCC(C)C)cc1	916340447	ITSXAVJLCAZNIL-OAHLLOKOSA-N	320.433	3.781	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(Br)cc1	916660931	MKIQLAFRVLDZDZ-UHFFFAOYSA-N	321.174	3.505	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCCC2CCCC2)nn1	1318834748	BBWRNYHVUUXUGY-UHFFFAOYSA-N	304.438	3.578	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2ncccc2C)c(C)c1	1347082137	RVBLDMDAWYGUMX-HNNXBMFYSA-N	312.417	3.703	50	20	DHGD	
CC(C)(C)c1ccncc1CNC(=O)C1CCC(Cl)CC1	1521660531	YJZYVQOONNZGQB-UHFFFAOYSA-N	308.853	3.793	50	20	DHGD	
Cc1c(NNC(=O)/C(F)=C\C2CCCCC2)cccc1C(=O)O	1600050597	FIVRRAGQUMABGQ-GXDHUFHOSA-N	320.364	3.570	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(C(=O)O)cc1)C1CCCCC1	1776044954	YQLWYKBBEDIRCO-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc(C(=O)O)c1F	1777477266	TXUHMNYDCKDEBB-YRNVUSSQSA-N	315.325	3.684	50	20	DHGD	
CC(C)c1ccc(NC(=S)NNC(=O)CC2CCCC2)cc1	8027917	MSTUNFYLKQCRBA-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	17699259	UUSVVPQPBNMCHG-YRNVUSSQSA-N	314.332	3.730	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1	17699637	NISNFWXAECWSKZ-KPKJPENVSA-N	316.357	3.808	50	20	DHGD	
Cc1cccc(/C=C(/C#N)S(=O)(=O)c2ccc(Cl)cc2)c1	33470839	ARBOXZBHRBZDTF-YBEGLDIGSA-N	317.797	3.987	50	20	DHGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](Cl)CS1	39130193	UAPSOKRVEPQQFQ-MOWSAHLDSA-N	306.855	3.645	50	20	DHGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNc2ccccc2F)c1	153086754	CIIGOFIZVRGUHP-UHFFFAOYSA-N	314.360	3.549	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc3c2OCCO3)c1C	171389767	CBXQGSPYZIDONA-LFIBNONCSA-N	319.360	3.865	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1ccc(Br)cc1	178431435	GHOFUKIUJNPJPK-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ncccc2Cl)c1Cl	179887474	FTXADIHNGHBFTC-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	195288936	GTEZGQVBPZEANB-KPKJPENVSA-N	303.264	3.979	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(COC)o1)c1ccccc1	276434168	ZHJWUWMYDCHNSL-OTMARIDSSA-N	324.380	3.600	50	20	DHGD	
O=C(/C=C\c1ccsc1)NNc1ccccc1Br	492204101	IHQRVNLFVJMZPD-WAYWQWQTSA-N	323.215	3.667	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1	727976226	NWCSCEVDSOUQSZ-XYOKQWHBSA-N	313.275	3.835	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)Cc1ccccc1OC)c1ccccc1	731932189	AZVXUGQKMYTGRR-SFHVURJKSA-N	324.424	3.924	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2c1)c1ccc(O)c(Cl)c1	734094428	OLWCYOHRLAXDGH-UHFFFAOYSA-N	324.767	3.963	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ncccc1C(F)(F)F	740090935	AUCGEPUTELNUSH-SNVBAGLBSA-N	315.339	3.760	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccccc2Cl)cc1	741765156	QRPLGNGQDHKHOT-UHFFFAOYSA-N	316.792	3.562	50	20	DHGD	
C[C@H](C(=O)NN=C(c1ccccc1)c1ccccc1)C(F)(F)F	742516614	FDHWYSVILSQBQH-GFCCVEGCSA-N	320.314	3.754	50	20	DHGD	
CN(C)C(=O)NN=Cc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1	745605151	LPKTWYBACNRAHI-UHFFFAOYSA-N	319.449	3.592	50	20	DHGD	
CCO[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)C(C)C	747588538	MGUULVRNWWWCGI-CYBMUJFWSA-N	318.339	3.600	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2(c3ccccc3F)CCCC2)cc1	748113276	SPEWUQHNVABOIE-UHFFFAOYSA-N	323.371	3.652	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3cc(C)ccc3C)[nH]c2c1	748412799	GXIBXTJAJWYRPE-UHFFFAOYSA-N	309.369	3.550	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C1(C)CCCC1	748731137	HDFJKVSWZBBKDS-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](C)[C@@H]2C)c1C	752391378	VVZPLVFRIXDCPA-DCZLZTFESA-N	313.445	3.679	50	20	DHGD	
N#CCc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	759658321	PZNMWDSOTCTRQB-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
C[C@@H]1CCC[C@H](N(C)C(=O)[C@H](Br)C(C)(C)C)C1	767028442	BOXUASNBMYZULT-WOPDTQHZSA-N	304.272	3.833	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H]1CCCc2ccccc21	770334946	BMSLARNUNJVMQG-BXUZGUMPSA-N	311.219	3.681	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(F)nc3)n2)cc1	777465964	LGFAJRNRTKYAEI-RIYZIHGNSA-N	306.300	3.643	50	20	DHGD	
Cc1noc(C(F)F)c1C(=O)NNc1ccc(C(C)(C)C)cc1	781042546	QUWSPZWRBVYCLL-UHFFFAOYSA-N	323.343	3.975	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(F)c(F)cc1F	781083848	MFZVHOUOQFWXMV-JTQLQIEISA-N	324.140	3.852	50	20	DHGD	
O=C(NN=Cc1c(Cl)ccc2cccnc12)c1ccccc1	781114629	AMGKTTLYGJLTOH-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
Cc1c(NNC(=O)C2(C)CCCCCC2)cccc1[N+](=O)[O-]	781348232	CVFSERMXSZAAEA-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CC(C)CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	787262967	MLVPOJKYJGIXEB-SFQUDFHCSA-N	320.392	3.988	50	20	DHGD	
CCSCc1ccc(C(=O)NCCSSC)cc1	791100619	UBMUBXXVWFQPGH-UHFFFAOYSA-N	301.502	3.681	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC=C(c2ccco2)C1	796119716	CDFOTFKLMGLYIE-RQZCQDPDSA-N	321.336	3.842	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccoc1C(C)C	796629236	LDEVMTGOHGSYEQ-UHFFFAOYSA-N	305.286	3.539	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1cccc(Oc2ccccc2)c1	804769469	HFCZOXHDLQDFSD-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1cccc(Nc2ccccc2)c1	804769626	OCCFEWKUTZSTKD-UHFFFAOYSA-N	322.343	3.721	50	20	DHGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccco2)cc1	810210407	UHEUBKVKCMVTNT-ZROIWOOFSA-N	303.321	3.768	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(C(C)C)cn1	810536901	OVHUDCVISDPMLH-UHFFFAOYSA-N	314.341	3.949	50	20	DHGD	
C[C@@]1(C#N)CCCN(Cc2ccc(OCCCCl)cc2)C1	811488785	LCCHANUTOPAEID-KRWDZBQOSA-N	306.837	3.820	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cc(C)ccc1O	815005394	YRHPVALBCQMCIC-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(F)F)c1C	818257759	SVRSZAAVBHUHEC-DHDCSXOGSA-N	323.387	3.583	50	20	DHGD	
Cc1noc(C)c1[C@H](C)C(=O)NNc1ccc(C(C)C)cc1	837056375	ODXQYQSFWVVROO-NSHDSACASA-N	301.390	3.662	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H](C)c2cccc(O)c2)cc1	838466690	SGHQNHWDYKVTAI-ZDUSSCGKSA-N	313.401	3.903	50	20	DHGD	
CSSCCNC(=O)C1(c2ccccc2Cl)CCC1	844519962	KVUNDOCTZXHIDQ-UHFFFAOYSA-N	315.891	3.889	50	20	DHGD	
Cc1nc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)ccc1C#N	853897394	FXFBNYOOKSURDX-HNNXBMFYSA-N	317.509	3.862	50	20	DHGD	
Cc1ccc(C#N)c(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897419	GMYOSUBYPYEHQB-OAHLLOKOSA-N	317.509	3.862	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2ccc(C)c(F)c2)cc1	856230222	JCSZGLYTRGQPQE-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
C[C@@H](NNC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(F)(F)F	862307667	NLXWXEYBZWTXFB-ZJRUKIMVSA-N	314.351	3.569	50	20	DHGD	
Cc1ncoc1C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891547424	YVYYSLWTTBNYNN-CYBMUJFWSA-N	324.497	3.609	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C2CC(F)(F)C2)C1	912580934	BWPRPNRSBVTWJN-LBPRGKRZSA-N	319.468	3.654	50	20	DHGD	
CCC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)cc1	916337522	ASZUFMVQWHGYNQ-UHFFFAOYSA-N	319.408	3.949	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)CNc1ccc(C)cc1	916657436	GXMBYEDVJDETED-UHFFFAOYSA-N	309.413	3.532	50	20	DHGD	
C[C@@H](Cc1ccccc1F)NC(=O)NNc1ccccc1Cl	919781881	YPXCAGIUYLBLBZ-NSHDSACASA-N	321.783	3.736	50	20	DHGD	
C[C@H]1COc2ccccc2CN1C(=O)C1CCC(Cl)CC1	1123686412	KYZPSFKSUYRGKC-OPFPJEHXSA-N	307.821	3.594	50	20	DHGD	
Cn1cc(CCNC(=O)C2CCC(Cl)CC2)c2ccccc21	1347832233	PUOCDOXWLAALEJ-UHFFFAOYSA-N	318.848	3.635	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(/C=C/C(=O)O)o3)[nH]c12	1777448320	VSXOKDWECGPCNY-ANKZSMJWSA-N	319.320	3.626	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	109759273	CQZHRVVEZKXGQO-GFCCVEGCSA-N	322.474	3.604	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)NNc1ccc(Cl)cc1	120342282	QCVPHDUSZZXEPL-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCCOC)cc1	125463478	BVPYGHKBNKNKGE-IZCBMXNHSA-N	301.386	3.624	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2ccc(C#N)cc2)cc1	155298026	RMRRAHZSLTZUNO-UHFFFAOYSA-N	307.397	3.723	50	20	DHGD	
CC(C)Oc1cccc(CC(=O)NNc2ccccc2Cl)c1	158184763	QRRWOOKAFRJLSO-UHFFFAOYSA-N	318.804	3.813	50	20	DHGD	
COc1ccc2oc(/C=C(\C#N)C(=O)NC3CCCCC3)cc2c1	179127530	GOSXNAFCOFTZDT-SDNWHVSQSA-N	324.380	3.797	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)o1	195332062	ZVOOROHKMROUOU-XYOKQWHBSA-N	321.288	3.602	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCCC2)cc1	206269123	DIIBGUBQTGYUIC-SSZFMOIBSA-N	312.413	3.831	50	20	DHGD	
CSSCCNC(=O)c1cnc(Cl)c2ccccc12	397815731	RFEYORWVGWOCHR-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
Cc1nc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	491107646	WFPOUQJVTJYHLK-XYOKQWHBSA-N	315.735	3.728	50	20	DHGD	
C/C(=C\C(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1	740136486	SDWLEUSDVIAVMN-ZHACJKMWSA-N	321.302	3.647	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1cc(C)ccc1C	748414212	HDOFFXFYHXFBMO-KRWDZBQOSA-N	312.413	3.913	50	20	DHGD	
CCc1ncsc1C(=O)NNc1cc(Cl)ccc1Cl	750423651	HUSKDGXYIXGEPI-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2(CC)CCC2)cc1	752793344	WNOQYWPSGJUFDR-VBKFSLOCSA-N	312.413	3.689	50	20	DHGD	
Cc1ccccc1CCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	754541055	MKLPVFPAHYZLKE-AQTBWJFISA-N	321.376	3.784	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)NC1CCCC1	761799524	KCANBUGBILELJO-UHFFFAOYSA-N	318.179	3.708	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	764411747	ODQVEGZMKYDNTO-LCYFTJDESA-N	312.394	3.919	50	20	DHGD	
C[C@@H](CC(=O)N1CC=C(C#N)CC1)c1ccc(C(F)(F)F)cc1	767158254	VFJYPZKFGCTHGL-LBPRGKRZSA-N	322.330	3.881	50	20	DHGD	
CCNC(=O)N(C)N=Cc1ccc(-c2cccc(F)c2)s1	769594598	UOWVEOMOAHOVFA-UHFFFAOYSA-N	305.378	3.549	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(Cl)c(F)c1	770211824	TUPCJFJTCDRYEV-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
CC(Cc1ccc(Cl)cc1)=NNC(=O)c1ccc(C#N)cc1	773205492	DBJOIDUHZHHTPP-UHFFFAOYSA-N	311.772	3.560	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	779204407	RQKORFLPKUZYLQ-SNVBAGLBSA-N	316.323	3.855	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2cc[nH]c2n1	779534185	ONEUKAMGJSMYRW-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2c(C)cc(C)cc2C)CCO1	780589335	HWPBEZBPMFJMFY-HOTGVXAUSA-N	304.434	3.650	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1sccc1Cl	782160513	YXUQCTFDSCMHEC-UHFFFAOYSA-N	317.801	3.576	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1ccccc1F	782181390	ZVTKNGIFWNDXBL-VQHVLOKHSA-N	302.286	3.585	50	20	DHGD	
C[C@@]1(C#N)CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	784747583	OWAHKRMKQWOXDT-HIFRSBDPSA-N	312.504	3.853	50	20	DHGD	
C=C(CBr)CN[C@H]1CCC[C@@H]1Cc1ccccc1	791543391	NXEVHDNMSLJXFY-CVEARBPZSA-N	308.263	3.939	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	795115991	DWQKYFDOECVNGP-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cnccc1C	815004368	FNKLCHUYWJBGAU-UHFFFAOYSA-N	302.765	3.589	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1cccc(Cl)n1	819540437	CFABLSJUULILJW-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
C[C@@H](CC(=O)NCCCSC#N)Cc1ccc(Cl)cc1	819699142	UMEOYIGWXJIZAC-GFCCVEGCSA-N	310.850	3.629	50	20	DHGD	
CCSC1(CNC(=O)NNc2c(C)cc(C)cc2C)CC1	823013132	WOZWJUQVIWKFCU-UHFFFAOYSA-N	307.463	3.524	50	20	DHGD	
CC(C)(C)OC(=O)c1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1	834447105	HWAKPHKYJNOWHW-GXDHUFHOSA-N	317.360	3.866	50	20	DHGD	
CN(C)C(=O)c1cccc(OCCO[Si](C)(C)C(C)(C)C)c1	853654056	VBPNCPQHOIONNN-UHFFFAOYSA-N	323.509	3.789	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1nc(C2CC2)cs1	853821515	KBWMQDZXOKUDDD-UHFFFAOYSA-N	306.366	3.617	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NCC(Cl)Cl)c1C1CC1	879061759	SMYGKBUTMJKXCJ-MRVPVSSYSA-N	319.236	3.657	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2cc(Cl)ccc2C)CCO1	885126750	FJTIBJYOAZZWPX-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(F)cc2Cl)CCO1	885137429	XJVMPZOTPZJBRK-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cnn(CC3CCC3)c2)nc2ccccc21	899338641	QMKCDHFQMMOPJT-SXGWCWSVSA-N	317.396	3.634	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	906369003	DWSBLCNNLLGLET-ATVHPVEESA-N	301.434	3.728	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1cc(F)ccc1F	915971094	DJMZWBXVGDSKRF-UHFFFAOYSA-N	303.312	3.819	50	20	DHGD	
COc1cccc(C=NNC(=O)Cc2ccc3ccccc3c2)c1	915972297	LJJQOLKSKSHGIZ-UHFFFAOYSA-N	318.376	3.541	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccccc2C)c1	916615476	YBQCWKQNEKAFRD-YVLHZVERSA-N	307.349	3.654	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1C[C@H](C)c2c(C)ccc(O)c21	1115821421	KWUHYWCBDOPTAS-ZDUSSCGKSA-N	308.381	3.650	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C12CCC(CC1)CC2	1120710096	FDJPHGPITVSCAG-UHFFFAOYSA-N	310.344	3.702	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1	1248574749	ZGSXINHBCLJQRO-KRWDZBQOSA-N	312.438	3.772	50	20	DHGD	
O=C(NNc1ncccc1Cl)C1(Sc2ccccc2)CC1	1319434779	IPVDDBPTDABRKD-UHFFFAOYSA-N	319.817	3.503	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1ccccc1Cl	1324246221	ZOHUKHCYPXRMEJ-GFCCVEGCSA-N	303.793	3.776	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1ccc(C(C)(C)C)cc1	1340000085	YWJAXLJCGYHYDE-UHFFFAOYSA-N	307.397	3.921	50	20	DHGD	
CC[C@H](C)n1ncc(C(=O)NNc2cccc(C)c2)c1C1CC1	89689534	ZCJMNSQYWVSVAV-ZDUSSCGKSA-N	312.417	3.797	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)[C@@H](C)CC)cc1	112880456	AGDXOSACMYTUEY-FWUQKTEZSA-N	300.402	3.543	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CC[C@@H](C)c2ccccc2)c1	118977007	ZGHWWYLPHPNDIE-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
Cc1cccc(NNC(=O)c2csc(Cc3ccccc3)n2)c1	120924838	YEIVLJSFJPZTEX-UHFFFAOYSA-N	323.421	3.799	50	20	DHGD	
CCc1ccc(CC(=O)NNc2ccc(OC(F)F)cc2)cc1	122719854	PNTBYMOXDDIXNE-UHFFFAOYSA-N	320.339	3.536	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@H]1c1ccc(F)cc1	124441010	YDLBJQGVRJKTJV-GJZGRUSLSA-N	304.752	3.726	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(C#N)c1)c1ccc(C)cc1	152285286	QGQRLLAVEFXNTL-INIZCTEOSA-N	307.397	3.894	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(F)c(Cl)cc1F	163739793	ILEOKGRSBWVTSH-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
C=CCCCC(=O)NNc1c(F)cc(F)cc1Br	175876935	QYLZYIIDFRAEBX-UHFFFAOYSA-N	319.149	3.527	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)NNc2c(C)cccc2F)s1	184347036	UPYNYWALMFGNBZ-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@@H]1C[C@H]1c1cccc(Cl)c1	194875099	WNYMABSNTNDIPE-LSDHHAIUSA-N	304.752	3.726	50	20	DHGD	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)O)cc1	200026503	MRECIVWSXZQSHO-ATVHPVEESA-N	306.365	3.705	50	20	DHGD	
COc1ccc(C(=O)NN=C2C=C(C)CC(C)(C)C2)cc1OC	254736831	GZGKMXXCWDUSGD-UHFFFAOYSA-N	316.401	3.556	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(Cl)c(F)c2)n1	269553978	VCHOCEWTVWFJKZ-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	270542689	XTIWFNXUQIXIBV-UEUZTHOGSA-N	319.744	3.571	50	20	DHGD	
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)N1CC=C(C#N)CC1	272654013	NLZAACDWUGYCRS-GJZGRUSLSA-N	311.429	3.683	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@H]1CCCC(F)(F)C1	282752135	ODCLWUVTGPTEJT-SSDOTTSWSA-N	324.158	3.657	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccnc(Cl)c1Cl	295768389	BMQKHVLZPIBGQK-DHZHZOJOSA-N	312.200	3.602	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc3c(C)cccn23)cc1	588467760	UDAIIECCCJNWHR-YBEGLDIGSA-N	301.349	3.741	50	20	DHGD	
CCc1nc(C)c(C(C)=NNC(=O)c2cccc(Cl)c2)s1	735228002	LRGAWUVWMOQOLF-UHFFFAOYSA-N	321.833	3.821	50	20	DHGD	
C[C@@H]1CC(NC(=O)NNc2cc(F)c(F)cc2F)C[C@@H](C)C1	740490544	QQUCMNMUSUQHOZ-IUCAKERBSA-N	315.339	3.555	50	20	DHGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1cccc(OC(F)F)c1	747751545	NDGGCGDKELJWLZ-CYBMUJFWSA-N	310.344	3.830	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccccc1Br	748066002	LFYIKBSUMJCWRA-NSHDSACASA-N	313.239	3.965	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)Oc1ccc(Cl)cc1	760463867	VSBRMBDEWPQMKG-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1F	767714569	RIFIMBGKEMCLSH-XNTDXEJSSA-N	300.377	3.948	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1occc1C	767758538	DAQYJFIXFRSCAM-UHFFFAOYSA-N	302.399	3.529	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1nc2ccccc2[nH]1	768504019	GVKGKCQFPRBEOW-UHFFFAOYSA-N	323.400	3.532	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC[C@H](C)C2)cc1	775169332	HYGWJFHTPYTHOA-YSKWHIJTSA-N	312.413	3.641	50	20	DHGD	
CC(C)C[C@@H](C)n1nccc1NC(=O)NNc1ccccc1F	775765995	MUJAVOPTZIQMTP-GFCCVEGCSA-N	319.384	3.778	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@@H]1CCCC[C@@H]1C	783864466	UXVLIGUNRHAPHL-KBPBESRZSA-N	320.458	3.716	50	20	DHGD	
Cc1ccccc1-c1noc([C@H](C)OC(=O)/C(C#N)=C\C2CC2)n1	786673906	MXTPQLLWWZKCJH-CJAAZZPWSA-N	323.352	3.509	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1c(F)cccc1OC(F)(F)F	789130669	PVWMPVJQPDDLCO-RMKNXTFCSA-N	317.238	3.583	50	20	DHGD	
CCCN(N=C1CCOc2ccc(F)cc21)C(=O)OC(C)(C)C	794996511	SCXRWEKZIQYPEI-UHFFFAOYSA-N	322.380	3.959	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccc(C#N)c(Cl)c1	795257954	GFQJQPLETAZCOE-UHFFFAOYSA-N	303.749	3.685	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC=C(C)C2)c1C	798087536	KEXZPJVNNJANHS-WQRHYEAKSA-N	311.429	3.601	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cc(F)ccc1F	799754440	IMXIREZKXCQRIL-UHFFFAOYSA-N	304.340	3.521	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1cccnc1Cl	810493583	DPFKICLYIHXZDN-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CCC2(CCCC2)CC1	811641581	HVNNWOZYVCARIX-UHFFFAOYSA-N	314.429	3.931	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CC[C@H](Cc2ccccc2)C1	814711220	FPKSTCUBWBMVNI-QGZVFWFLSA-N	321.424	3.614	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H](OC1CCCC1)c1ccccc1	816604774	WGFMIRJKCDBTAE-CQSZACIVSA-N	316.228	3.607	50	20	DHGD	
C=CCC1(C(=O)NNc2cccc(C(F)(F)F)n2)CCCC1	825997551	GTEGKXYEKFDOOH-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
COC1(CNC(=O)CCCC[C@@H]2CCSS2)CCCC1	832956935	DPCRFOAXDDYAIV-CYBMUJFWSA-N	317.520	3.776	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2cccc(Br)c2)CC1	836778310	DGTVEFGVWATKTI-SNVBAGLBSA-N	309.207	3.639	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C(C)(C)c1ccc(C)cc1	846643300	MTGOADCBQHOXGS-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC(C)(C)Oc2ccccc21	848083860	QXMPOXPMGFOCIG-NSHDSACASA-N	316.228	3.593	50	20	DHGD	
CN1CCC[C@H]1CCN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852524355	JVBDFAJHSDUYTI-JKSUJKDBSA-N	312.574	3.567	50	20	DHGD	
C[C@H](C(=O)NNc1nc2ccc(Cl)cc2s1)C(C)(F)F	856234905	LDVBWCGLLFTHID-ZCFIWIBFSA-N	319.764	3.684	50	20	DHGD	
C#CC[C@H](NC[C@@H](CBr)C1CC1)c1ccccc1	859232931	NUQRYJBFCSPFHM-CVEARBPZSA-N	306.247	3.762	50	20	DHGD	
CC(C)C=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	864094497	JTCORFRZVKASRJ-UHFFFAOYSA-N	318.380	3.668	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)NC1CCC(F)(F)CC1	875433227	MMCABIVUYKSFFA-UHFFFAOYSA-N	321.730	3.683	50	20	DHGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)OC1CCCCC1	920398479	JGTJUVSMGMERDK-XYOKQWHBSA-N	302.399	3.803	50	20	DHGD	
C[C@H](C[C@@H](O)c1ccccc1)NC(=O)c1cccc(CCl)c1	1120707869	PFODISHXUJSSGB-CXAGYDPISA-N	317.816	3.667	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](C(F)(F)F)C2)cc1O	1336994719	KFYXFCJHBDNDDH-NSHDSACASA-N	314.307	3.539	50	20	DHGD	
CC(C)(C)Oc1cccc(CNC(=O)C2CCC(Cl)CC2)n1	1346498554	XUOYJJVAQOPAFZ-UHFFFAOYSA-N	324.852	3.673	50	20	DHGD	
O=C(Nc1ccccc1-n1cccn1)C1CCC(Cl)CC1	1350892200	MJCSMIZGMYWWCJ-UHFFFAOYSA-N	303.793	3.608	50	20	DHGD	
C/C(C#N)=C\CSc1ccc(Br)cc1C(=O)O	1589323699	KOETZDOXKFXUFN-XBXARRHUSA-N	312.188	3.709	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1nc2ccccc2c(C(=O)O)c1C	1776689069	OSNOMIJETLAXOT-NASPGAHYSA-N	322.364	3.764	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3ccccc3)s2)n1	22234031	GNDPCGVYRPBKDF-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(Oc2cccnc2)cc1	111555349	DEANOZRYRAMLEX-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1nc(C(F)(F)F)cs1	152925243	UKBBRJQIRBDHPG-QMMMGPOBSA-N	309.357	3.677	50	20	DHGD	
Cc1cscc1C(=O)NNc1ccccc1Br	153401581	DDWSDOROYBESDM-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(C#N)cc1	161085105	ZIBQZDIMOSDJHG-UHFFFAOYSA-N	305.337	3.624	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(F)c(O)c(F)c1	175324577	OXKKPCABRHJSRV-WMZJFQQLSA-N	305.305	3.830	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccncc1)c1cccc(Cl)c1	180541488	FMDPAIGKPCZVNI-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
CSCc1ccccc1NC(=O)NNc1ccc(F)cc1	184806221	HQZLCEIOADBCPA-UHFFFAOYSA-N	305.378	3.837	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1	215954171	LZSPLBODHVSBGE-SFQUDFHCSA-N	307.349	3.502	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(SC)c(OC)c1	255290922	KDFYZBJBHKKOIQ-GXDHUFHOSA-N	318.442	3.630	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)Sc1ccccn1	281875954	WSSOVJPXVAWBQE-ZDUSSCGKSA-N	315.442	3.576	50	20	DHGD	
CCCCC[C@@H](C)NC(=O)NNc1ccc2c(O)nccc2c1	287318252	ONCRNIYSNMIFLX-GFCCVEGCSA-N	316.405	3.535	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C(C)C)oc2C)cc1	294424018	RXSYOPKWFKGGAQ-UHFFFAOYSA-N	302.374	3.867	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)c(C)c1	490609953	CHZNFULHHJHQGE-NTEUORMPSA-N	322.412	3.870	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cccc(OC(F)(F)F)c1	730945633	NSPIWEGTJOPMNI-UHFFFAOYSA-N	322.286	3.739	50	20	DHGD	
CCOCC(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	731152327	DFNDINOXBQVWGM-UHFFFAOYSA-N	322.817	3.555	50	20	DHGD	
Cc1cccc(C)c1NCC(=O)NNc1ccc(Cl)c(F)c1	746696136	SHKYJRDVLYPARI-UHFFFAOYSA-N	321.783	3.651	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccccc2-n2cncn2)n1	747440784	VGCYMNYYFGCRCZ-VGOFMYFVSA-N	321.409	3.911	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)C(C)(C)C	748703373	RKGLRSQJCKZKBE-JTQLQIEISA-N	318.339	3.753	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2cccc(N(C)C)c2)CC1	751523428	VXNJEIXGQGXMGI-UHFFFAOYSA-N	301.434	3.829	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2)c(Br)c1	762237991	RDEYXLQGFJHNNV-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2c(C)cccc2F)ccc1F	771697696	RTNWSWNQIVOMHK-UHFFFAOYSA-N	318.323	3.623	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1c(C)oc2ccccc12	771706466	BNITZWBYEFNPQT-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
CC[C@H](C)[C@H](NC(=O)NNc1ccccc1Cl)C(F)(F)F	772530754	IQTVEWLSCTYELW-KWQFWETISA-N	323.746	3.943	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1	772843352	UMIWVNVACJWGBN-UHFFFAOYSA-N	304.287	3.731	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc3ccccc3n2)c1F	775714643	MZRSKEXMNGPTDU-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1ccc2ccccc2n1	777463817	SQDPKRQWFVSSJH-MRXNPFEDSA-N	320.396	3.569	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2c(F)cccc2F)cc1	778935862	GCZZIMYZJKVEGM-LBPRGKRZSA-N	304.340	3.595	50	20	DHGD	
CCO[C@H](CC(=O)NNc1ccc(C(C)(C)C)cc1)C(C)C	780802043	CGWCSKVZJNRSPK-MRXNPFEDSA-N	306.450	3.878	50	20	DHGD	
CC(C)[C@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	781795996	ZRMDPIJOFHDNKP-RYUDHWBXSA-N	304.272	3.691	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(C)cc2C)ccc1Cl	790180410	KKLSCKRJKJUPHK-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CSSCCNC(=O)C(C)(C)c1ccc(Cl)cc1F	791150906	WVEYVNDEKDNUFB-UHFFFAOYSA-N	321.870	3.884	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1cc(C)c(Br)s1	794896372	YKLUPZCRJUQAJI-UHFFFAOYSA-N	317.252	3.705	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCC[C@@H]3OCC[C@H]32)cc1	798188055	XYNSIGAVXDGZIS-KSZLIROESA-N	323.864	3.742	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccccc1Cl	799757765	JCAKWVZCLVAKDV-UHFFFAOYSA-N	302.805	3.897	50	20	DHGD	
NC(=O)NNc1nc(-c2ccc(C3CCCCC3)cc2)cs1	800721308	PTSVUSWLDBJPFF-UHFFFAOYSA-N	316.430	3.853	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)nn1	806572685	MURYFGSISXGPHT-IZZDOVSWSA-N	301.419	3.677	50	20	DHGD	
CO[C@H]1CCC[C@H]1CNCc1ccc(OCCCCl)cc1	811486856	QMAYRRIHDFBKEU-RDJZCZTQSA-N	311.853	3.599	50	20	DHGD	
COCCC1(NCc2ccc(OCCCCl)cc2)CCC1	811499850	UWGXAFDNYVKNNK-UHFFFAOYSA-N	311.853	3.743	50	20	DHGD	
COCCCCCNC(=O)NNc1c(C)cccc1C(C)C	813051344	LCBDTPXHQXKZCT-UHFFFAOYSA-N	307.438	3.561	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC1CC(F)(F)C1	813770927	LZEQCXZUTQFCPJ-UHFFFAOYSA-N	311.376	3.790	50	20	DHGD	
CCCC(=NNC(=O)c1cccc(C#N)c1)c1ccc(OC)cc1	814836828	WHWZHPZIOPCJLW-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cccc2cc[nH]c12)c1ccccc1	814841388	ALDYFQCOUPUZCN-UHFFFAOYSA-N	305.381	3.596	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccccc1Cl	815852914	NPUCPPNWMIGZCG-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](OC(C)C)c2ccccc2)c1	815853134	XVNFTZIONBDJQF-SFHVURJKSA-N	312.413	3.913	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3cccc(Cl)n3)csc2C1	817005730	GCEGXNUYNQGMEF-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(-c3ccccc3)nn2)CCCC1	826786662	DTALTMFPDJBCQG-UHFFFAOYSA-N	322.412	3.723	50	20	DHGD	
C=CCC(C)(C)CNC(=O)NNc1ccc(OC(F)F)cc1	838613772	YHFWLQBWGVNJKK-UHFFFAOYSA-N	313.348	3.516	50	20	DHGD	
CCOc1ccc(C[C@@H](C)C(=O)NNc2cccc(C)c2)cc1	839499600	ZFWWQLOVQZBNQQ-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
CSCC1(CC(=O)NNc2ccccc2C(F)(F)F)CC1	844273931	WESJRMUXIOROHU-UHFFFAOYSA-N	318.364	3.682	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857394242	LLYABCMTYVDBII-UHIISALHSA-N	304.272	3.739	50	20	DHGD	
CC(C)(C)c1ncc2c(n1)CCN(/C(=C/C#N)c1ccccc1)C2	859443040	WRZYSFCQCXEIKZ-GIJQJNRQSA-N	318.424	3.697	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	901500105	BDYAPFLRENDHNH-MDWZMJQESA-N	303.333	3.525	50	20	DHGD	
Cc1cocc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912579148	QREXUJWJAKKZQG-ZDUSSCGKSA-N	309.482	3.824	50	20	DHGD	
CCCCC(C)=NNC(=O)c1ccc(Br)s1	916355723	WDPMSGUYXDRMJM-UHFFFAOYSA-N	303.225	3.807	50	20	DHGD	
Cc1ccc(CCCNC(=O)NN(C)c2ccccc2)c(C)c1	918776594	SVNNMLLNJIUZRM-UHFFFAOYSA-N	311.429	3.587	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(c2ccc(F)cn2)CC1	1123930607	IDHLQDQYNZCCPS-UHFFFAOYSA-N	324.827	3.724	50	20	DHGD	
CC(C)(C)N(N=Cc1cccc(C(=O)O)c1)C(=O)c1ccccc1	1776103227	ZAPJAQWYTYKSPW-UHFFFAOYSA-N	324.380	3.660	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(NC(=O)C(F)(F)F)c1	11288883	BOFNMDYXULDGOG-YRNVUSSQSA-N	324.302	3.710	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1	59133153	NHLQBOVYQWRPRP-LCYFTJDESA-N	312.756	3.894	50	20	DHGD	
COc1cccc2cc(/C=C(\C#N)C(=O)Nc3ccccc3)oc12	67189586	LDMIEJUHCQZSNQ-SDNWHVSQSA-N	318.332	3.987	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)c(SC)cc1OC	78052745	DJOIUEBHIULNMG-GHXNOFRVSA-N	319.426	3.948	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CC=CCC1	124243936	DBAPBJNFZYHQOM-QMMMGPOBSA-N	303.164	3.932	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Nc2cccc(Cl)c2)c1	126499344	BWQAFUHCUDFFFD-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1c(F)cccc1F	153397751	OXIZSCNBRROYNS-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C/c2cccc(F)c2)cc1Cl	182390712	JKRXKAOVVDEVLK-QPJJXVBHSA-N	315.735	3.507	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	188794291	UOWFUXFZIHGDIQ-MJWAUXSNSA-N	305.761	3.950	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(Cl)cc1F	192096579	WUTHNGCNYKLBII-KPKJPENVSA-N	301.770	3.558	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCOC1CCCC1	194307283	WWJGSJOCUJLDSM-AWEZNQCLSA-N	317.520	3.776	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2)cc1	254734415	RFBBRQKCJCNECL-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	281241975	VHTSDJGYRMADRG-LICLKQGHSA-N	307.397	3.844	50	20	DHGD	
COc1ccc(NNC(=O)c2cccc(Cl)c2Cl)cc1	729273339	MNNFKUYHPWXFSF-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
O=C(/C=C/C1CCCCC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	735463373	JADWEDWJDPFGMM-RMKNXTFCSA-N	323.780	3.828	50	20	DHGD	
CCCCC[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746741962	GUWRZHGXXUHSIO-SECBINFHSA-N	303.328	3.699	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	751169718	WHIZFAZDYVMSJS-IUODEOHRSA-N	319.357	3.747	50	20	DHGD	
CCc1cccc(C(=O)NNc2ccc(Cl)c(F)c2)c1O	751392071	KJMFMYZCMPNPJY-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1	753683560	VEUAXCGGXJEBRV-YRNVUSSQSA-N	309.196	3.959	50	20	DHGD	
Cc1cccc(CC(=O)NNc2c(C)cccc2F)c1Cl	754313070	WKESTDDMBBZGGE-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)c1nc(-c2ccccc2)no1	755408433	ZSKLTZRYASRJKE-MDWZMJQESA-N	307.284	3.645	50	20	DHGD	
COc1ccc2cc(/C=C/C(=O)N3CC=C(C#N)CC3)ccc2c1	760003771	PDYYFQDQGAVNEY-XVNBXDOJSA-N	318.376	3.544	50	20	DHGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NN=C1CC(C(F)F)C1	766007796	OWLFUOJDZSSVKZ-UHFFFAOYSA-N	310.388	3.740	50	20	DHGD	
C[C@H](CBr)COC(=O)/C=C\SCc1ccco1	770395660	HLABLQRMPBMMKE-AYYIZTPMSA-N	319.220	3.601	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(C)cccc2F)cc1-n1cccc1	771708015	WWXFSIZTHSTWBJ-UHFFFAOYSA-N	323.371	3.990	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cscc2Cl)cc1	771836600	CSBLWFYAEMBPDY-AWNIVKPZSA-N	316.813	3.933	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1c(F)cc(F)cc1F	775651302	UVPFXAQQEXJRKY-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)COCc2ccccc2)C1	783844854	FJEHDZWQXXHGEB-WBVHZDCISA-N	302.418	3.522	50	20	DHGD	
CSSCCNC(=O)C1(c2ccc(F)cc2)CCCC1	791150395	JYWLSTRULNHNSX-UHFFFAOYSA-N	313.463	3.765	50	20	DHGD	
CCc1ccc(C(=O)NN=CCc2cccc(Cl)c2)cc1	794878470	BKXKGAQYHVFQCV-UHFFFAOYSA-N	300.789	3.861	50	20	DHGD	
C=C(CBr)COC(=O)/C=C\c1ccc2[nH]ccc2c1	795573012	CVYLEMVMPCLLJJ-HYXAFXHYSA-N	320.186	3.675	50	20	DHGD	
CCCN(NC(=O)c1cc(C)c(C)s1)C(=O)OC(C)(C)C	804593573	AHPDNPSYRFFIMY-UHFFFAOYSA-N	312.435	3.657	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CCC2(C)C)c1C	805323408	NIJPOPUISBOEHO-YTBHAWNYSA-N	313.445	3.727	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(O)ccc1Cl	811494353	SQXDLNZGAPILBQ-UHFFFAOYSA-N	304.777	3.673	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(O)c(F)c1	812761864	DSUVLSHJXRRXDI-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1ccc(SCC(F)F)cc1	814989974	WFAHLMXPMTWQLX-UHFFFAOYSA-N	312.385	3.684	50	20	DHGD	
Cc1c(C(=O)NNc2cc(F)c(F)cc2F)ccn1C(C)C	815856706	XKYAOKOJOOQWBA-UHFFFAOYSA-N	311.307	3.552	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	817005165	HOXBMTXMSLLNCN-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
COC1(CNC(=O)CCCC[C@H]2CCSS2)CCCC1	832956936	DPCRFOAXDDYAIV-ZDUSSCGKSA-N	317.520	3.776	50	20	DHGD	
CC[C@H](C)[C@@H](C=NNC(=O)c1c(Cl)cccc1Cl)OC	834953841	OBZARFWFRQLPCQ-JOYOIKCWSA-N	317.216	3.770	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1c(C)noc1C1CC1	836507775	CLVDKVXOEAZWGG-UHFFFAOYSA-N	320.780	3.971	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@@H]1CCCC1(F)F	838671586	DAHOXYDSWAAWKI-JTQLQIEISA-N	317.767	3.710	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c(C)c1	841126095	ASGGQBAMUXVSCW-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1ccc(NNC(=O)C2CC(c3ccc(F)cc3)C2)cc1F	856226021	RFYLRFDSDSODKJ-UHFFFAOYSA-N	316.351	3.910	50	20	DHGD	
Cc1cc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)ccn1	856759475	OUGPVSJWVXLENR-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(Cl)c1	861914295	AFFLMYJJTBWFHJ-RRQGHBQHSA-N	312.800	3.677	50	20	DHGD	
COC(=O)c1csc(/C=C(/C#N)C(=O)C2CCCCC2)c1	864366712	YSBDXTQDEKZICL-GHXNOFRVSA-N	303.383	3.591	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(F)cc1Cl	885138790	KNTIUTWBOILGDP-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cncn2CC)cc1	901426295	FUMLEVUSBKAGEE-KWZJRMENSA-N	322.412	3.962	50	20	DHGD	
CCCCOc1ccc(C(C)=NNC(=O)CC(C)C)cc1OC	915952432	ZTJXZRLGACNLPV-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	916583480	GMQVEQSFABHHPX-QCPCCJPKSA-N	319.836	3.791	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2nc3ccccc3o2)c1	917154173	BZOBZWHCEFYKRR-UHFFFAOYSA-N	309.369	3.521	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cn(C(C)(C)C)nc1C	928337549	RINIBGRTRRYBJO-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CSSCCNC(=O)Nc1c(C(C)C)nc2ccccn12	933759315	QDACOUPECKASDP-UHFFFAOYSA-N	324.475	3.590	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNC(=S)NC(C)C	1116132775	PNVIURIACDPCRA-MRXNPFEDSA-N	315.527	3.667	50	20	DHGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC(=O)CCl	1253963025	IYKUICQXTRBZNS-MRVPVSSYSA-N	312.797	3.674	50	20	DHGD	
CC(C)(C)c1cnc(C=NNC(=O)c2ccccc2Cl)s1	1261234925	AORONCSPYYVUJW-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)n(CC3CC3)c2C)c1	1319596548	DAAHSUMVORGLFT-UHFFFAOYSA-N	311.429	3.889	50	20	DHGD	
Cc1cc(C(=O)OC[C@H](C)CBr)c(C)n1C1CC1	1324064820	SEKKDJBWLUKNKO-SECBINFHSA-N	314.223	3.628	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCCCC2)c1	510613	HOWCRACOKQJFNH-UHFFFAOYSA-N	302.418	3.934	50	20	DHGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)c1ccco1	17700548	NWPYHZSWUZJAFH-DHZHZOJOSA-N	307.227	3.968	50	20	DHGD	
CCOc1ccc(C(=O)NNc2cccc(Cl)c2)cc1OC	67848735	UDAWOJJHDOJIID-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
O=C(NNc1ccccc1)[C@H](OC1CCCC1)c1ccccc1	111550277	VLBGKAQCUAGJFC-GOSISDBHSA-N	310.397	3.830	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1csc(C2CC2)n1)C1CCCCC1	112224568	AYAQPJXQWGKXIE-LCYFTJDESA-N	315.442	3.719	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc2c(F)cccc2[nH]1	120158930	NGXHNYBSQUJGDO-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C)nc2)c1C	125021866	PAHPYFVMFLSWAX-YVLHZVERSA-N	322.412	3.764	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@H](c1ccccc1)C1CC1	130240457	CDYWMSHTVWKNLG-LJQANCHMSA-N	317.392	3.872	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1O	171389962	WZODGMQJXLTJJD-OQLLNIDSSA-N	307.349	3.808	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)CCc2cccc(F)c2)c1	175227113	FWKSETUTPODBBP-AWEZNQCLSA-N	300.377	3.846	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)c3nc4ccccc4[nH]3)ccc21	178886951	REQIIUVADDAZKN-RVDMUPIBSA-N	300.365	3.619	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1	178960069	ALLJHECLEXYCAN-MLJWKTOOSA-N	312.369	3.786	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1nc2ccccc2cc1C	181289035	CQANIAGHHOYAEG-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2c(F)cccc2Cl)CCO1	184660118	CYJNRAAZYTUFOS-GHMZBOCLSA-N	314.788	3.518	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(OC(F)F)cc1	245973159	WICNEQOSZHGJGF-SDDRHHMPSA-N	310.344	3.557	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(OC3CCC3)cc2)c1	268413349	MRLFMEPNJDKKQB-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
C=C(CBr)CN(C)Cc1ccccc1N1CCCC1	279501204	QLHYRDPENCPUNI-UHFFFAOYSA-N	323.278	3.670	50	20	DHGD	
COc1ccc(CCC=NN(C)C(=O)OC(C)(C)C)c(C)c1	496686693	VAXXCPFJLWJIIE-UHFFFAOYSA-N	306.406	3.789	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2c(F)cccc2F)o1	735701585	YAIOPURPIVMJGY-CMPLNLGQSA-N	320.339	3.757	50	20	DHGD	
C/C(=C\C(=O)NNC(=O)Cc1cccc2ccccc12)C(C)(C)C	742503475	ORVMDGNBXNHITM-WYMLVPIESA-N	324.424	3.522	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1cc(Cl)sc1Cl	744526472	ZCQRTISYWSJFJC-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1ccc(C#N)cc1	754273973	HCUURVAKKOWALW-ZBFHGGJFSA-N	319.408	3.991	50	20	DHGD	
CC[C@@H]1CC[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)O1	757420991	ABBQNLYTEGOMED-BZNIZROVSA-N	315.325	3.611	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C	763912467	SGDGQXIWUQSZDD-NSHDSACASA-N	313.785	3.764	50	20	DHGD	
CC(CC1CCC1)=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	764789928	MSOYRQGBVYPFOK-UHFFFAOYSA-N	324.428	3.989	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C[C@@H](C)CCC#N)cc1	765995717	YKLVVAITNJJYOB-HNNXBMFYSA-N	315.417	3.767	50	20	DHGD	
C#C[C@@H](CC)OC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	768048835	LRAGJKFCSHYNLW-WQJNHMDYSA-N	312.413	3.767	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCCSC(C)(C)C	770397833	DQMAXJDOZNHPHG-JTQLQIEISA-N	311.285	3.873	50	20	DHGD	
CCCc1ccccc1NC(=O)NNc1cnc2ccccc2n1	775475410	LCUQMJHMCCHPRJ-UHFFFAOYSA-N	321.384	3.731	50	20	DHGD	
COc1cccc2c1CCN(/C(=C\C#N)c1ccc(F)cc1)C2	782528101	ZFKFYVSQAKVQGP-NVMNQCDNSA-N	308.356	3.757	50	20	DHGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1cc2ccccc2o1	788020371	MGSFDTLTLPDSFI-UHFFFAOYSA-N	312.369	3.642	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cncc(F)c1	799011762	ATFKSFHLBNZSCO-LBPRGKRZSA-N	300.424	3.873	50	20	DHGD	
C[C@@H]1CC[C@@H](C=NNC(=O)c2cccc(Br)c2)C1	800813061	RBGKXKBAYKRMPO-GHMZBOCLSA-N	309.207	3.601	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1ccc(C(F)(F)F)cc1	808248287	JDPCQFWZFZPVNP-UHFFFAOYSA-N	314.134	3.510	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3c2OCCO3)cc1C	809145692	DCKXMQWUMZAXQR-BOPFTXTBSA-N	319.360	3.865	50	20	DHGD	
CC1CCN(CCNCc2ccc(OCCCCl)cc2)CC1	811474355	YWIDYOFHMBIDLF-UHFFFAOYSA-N	324.896	3.516	50	20	DHGD	
CC[C@]1(C)CN(Cc2ccc(OCCCCl)cc2)CCO1	811494649	VQWJJVYNHRDHRX-QGZVFWFLSA-N	311.853	3.695	50	20	DHGD	
O=C(NN=Cc1scnc1C1CC1)Nc1ccc(Cl)cc1	815004639	MXOYIOKSROYQDB-UHFFFAOYSA-N	320.805	3.830	50	20	DHGD	
CC1(C(=O)NNc2cccc(C(F)(F)F)c2)CC(F)(F)C1	821142579	FWBVOXOTPVDNLT-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1ncnc2ccsc12	827031814	GAZBQLFVMVDLTK-NSHDSACASA-N	306.435	3.597	50	20	DHGD	
O=C(CCCC1CCCC1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	833097855	XCMKXHSHBWCIJD-UHFFFAOYSA-N	321.329	3.559	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cnn(C(C)(C)C)c2)cc1	837055535	HSYABTJNDGFDBO-UHFFFAOYSA-N	300.406	3.518	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)C(C)(C)C)s2)cc1C	848403228	PKXMPJUXJZIZJO-UHFFFAOYSA-N	315.442	3.923	50	20	DHGD	
Cc1noc([C@H](C)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	852522413	JSTRXZUICMVUPZ-AAEUAGOBSA-N	311.502	3.535	50	20	DHGD	
C[C@@H]1C[C@@H](c2cccnc2)N(C[C@H](CBr)C2CC2)C1	859252926	PVPJXBNPWJQPGI-KCXAZCMYSA-N	323.278	3.886	50	20	DHGD	
CCN(C[C@H](CBr)C1CC1)[C@H]1CCOC(C)(C)C1	859307000	IBMIIZDWMYOMLV-KBPBESRZSA-N	318.299	3.687	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2cccc(F)c2Cl)CCO1	862506990	QKQRZQNLIQADMW-WDEREUQCSA-N	314.788	3.518	50	20	DHGD	
CCc1nc2cc(NC(=O)[C@]3(C)C[C@@H]3Br)ccc2o1	906328508	BSIUVQJJBVQARM-SMDDNHRTSA-N	323.190	3.502	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)C1CCCCC1	916295996	LPXZCMMLMAJWES-UHFFFAOYSA-N	302.418	3.755	50	20	DHGD	
CCOC(=O)NN=C(CC)c1ccc2cc(OC)ccc2c1	916588409	VJLMOJQNXVHSBC-UHFFFAOYSA-N	300.358	3.709	50	20	DHGD	
CCOc1ccc(C(CC)=NNC(=O)[C@@H](C)CC)cc1OCC	920830053	WMNIKWLQYCRPPB-ZDUSSCGKSA-N	320.433	3.760	50	20	DHGD	
Cc1ccc(NNC(=O)c2cn(C(C)(C)C)nc2C)cc1Cl	1320946047	MROLHMGKVFQNLN-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C)c(Cl)c1Cl	1323844011	HIXZCMJPXRRRLX-ZETCQYMHSA-N	318.204	3.501	50	20	DHGD	
CCn1ccnc1[C@@H]1CCCCN1C(=O)C1CCC(Cl)CC1	1352159814	PGZKBWBBRPZYAS-NRXISQOPSA-N	323.868	3.754	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC[C@@H](CCCC(=O)O)C2)c1	1600648066	NTVCFOGDPKTESZ-LBPRGKRZSA-N	322.430	3.587	50	20	DHGD	
CCCC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1CC1(C)C	1776045942	UCJVJZGUPZIADY-ZDUSSCGKSA-N	317.389	3.709	50	20	DHGD	
Cc1nn(-c2cccc(Cl)c2)c(Cl)c1C=C(C#N)C#N	3518650	LNZLGAKFWFHJKQ-UHFFFAOYSA-N	303.152	3.918	50	20	DHGD	
N#C/C(=C/c1c(F)cccc1Cl)C(=O)NC1CCCCC1	40889393	GVRPAEHIFNCTPI-LUAWRHEFSA-N	306.768	3.835	50	20	DHGD	
CC(C)(C)c1ncc(C(=O)NNc2cccc(Cl)c2)s1	49032762	HTWHAHZDDZILIR-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
C[C@H](Sc1ccccc1Cl)C(=O)NNc1ccccc1	111551232	GKBCEWIKAWDPKT-NSHDSACASA-N	306.818	3.964	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C(C)(C)C1CCCC1)c1ccccc1	120258197	HYIWRVXXVMUSQK-MRXNPFEDSA-N	316.445	3.544	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)c1	134713122	LIFWUYKVTMYESC-UHFFFAOYSA-N	324.211	3.949	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)N2CCCC2)o1	172043672	POTQMCGZYYNACP-SDNWHVSQSA-N	324.355	3.924	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(F)c(F)cc1F	182637945	OUSRODRBVBFQOR-BJMVGYQFSA-N	320.245	3.789	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	192546482	HRNFKGKTTYJNIC-VUFYJBQKSA-N	321.376	3.839	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC(C)(C)C)c1ccccc1	269507144	ZLZXYAAYJFVAFI-MDJJKAFGSA-N	300.402	3.724	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)s1	269600382	HXNWCGMPZIILQT-UHFFFAOYSA-N	319.386	3.711	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)C)c(C)n1CCC(C)C	301244256	XSFRMTPBRCGBBQ-ZDLGFXPLSA-N	315.461	3.830	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1C	588597096	LYWWKANDVJVOHM-JQFNYASXSA-N	320.392	3.788	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1ccccc1)c1ccc(F)cc1	734267224	YUCNFUOBHNZGNG-INIZCTEOSA-N	301.365	3.849	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC/C=C\c1ccccc1	750666639	QCQCNKXJOKHCMY-MQTGGHADSA-N	305.333	3.556	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cnnc2ccccc12	752621362	BIXSKWHOWWKHLL-CYBMUJFWSA-N	312.417	3.679	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(C(C)C)C2)c1C	753748142	OIWVGYNUEBVHQR-MFOYZWKCSA-N	313.445	3.536	50	20	DHGD	
C[C@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccccc1	759975591	LLGGJUOOQLYUGM-GFCCVEGCSA-N	316.788	3.692	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)Cc2ccc(Cl)cc21	762446002	COFOSEDQRAGJDW-LFYBBSHMSA-N	307.180	3.598	50	20	DHGD	
C[C@H]1c2ccccc2CCN1C(=O)[C@H](Br)C(C)(C)C	767980299	DKWWTKLULBYNEP-FZMZJTMJSA-N	324.262	3.942	50	20	DHGD	
COc1ccc(NNC(=O)CCCCCC(C)C)c([N+](=O)[O-])c1	768338382	IVWLLCAOORXZBE-UHFFFAOYSA-N	323.393	3.653	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1cc(C#N)cc(Cl)n1)C(C)C	768712405	LCXSUYKTPSPAQK-ZDUSSCGKSA-N	322.840	3.902	50	20	DHGD	
CCn1nc(/C=C(/C#N)c2cc(SC)ncn2)c2ccccc21	773177360	VTXYAJWBOGQQAY-WQLSENKSSA-N	321.409	3.632	50	20	DHGD	
N#CSCCCNC(=O)CCSc1ccccc1Cl	773587525	YDIGUAVXRGGJHU-UHFFFAOYSA-N	314.863	3.543	50	20	DHGD	
CCc1coc(NC(=O)CCCC[C@@H]2CCSS2)n1	774248039	ZTLWNHAOBVLRJB-LLVKDONJSA-N	300.449	3.890	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC[C@H](COc2ccccc2)C1	780366588	UDSPUTCVYVFBJT-BCUAHEQISA-N	304.393	3.952	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=C1CCC[C@H](C(F)(F)F)C1	783510345	YLXJSZVNWSJTRY-NSHDSACASA-N	316.298	3.593	50	20	DHGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(Br)c1	783850237	QHMRAURUAJUEKF-MNOVXSKESA-N	323.234	3.991	50	20	DHGD	
CN(CC1CCCCC1)C(=O)/C(C#N)=C/c1ccc(F)cc1	785153458	AYTINELVQRZLMO-LFIBNONCSA-N	300.377	3.771	50	20	DHGD	
ClCCCOc1ccc(CN2CCOC3(CCCC3)C2)cc1	788846134	GSHKFLWNBOHWQD-UHFFFAOYSA-N	323.864	3.839	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccn1C)c1ccc(C(F)(F)F)cc1	788980822	NWYFPIPVFQEYEG-LLVKDONJSA-N	323.318	3.563	50	20	DHGD	
C=C(CBr)CN(C)[C@@H](C)Cc1ccccc1OC	791469845	CMKGXGKWFPNTGN-ZDUSSCGKSA-N	312.251	3.509	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC2(CC1)CC2	792635310	QJSKLWDCHWDLRL-UHFFFAOYSA-N	318.442	3.614	50	20	DHGD	
CCCN(N=Cc1ccc(C#N)c(C)c1)C(=O)OC(C)(C)C	794995642	LTOBIFFXCOWOPV-UHFFFAOYSA-N	301.390	3.848	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@H]1CCC[C@@H](O)C1	795279703	DGQXMNHDZMFKNW-BFHYXJOUSA-N	318.504	3.795	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1ccnc2cc(Cl)ccc12	800688262	RZPXVQAAXKHLGG-UHFFFAOYSA-N	323.849	3.721	50	20	DHGD	
COc1cc(C(=O)NN=C[C@@H](C)C(C)(C)C)ccc1OC(C)C	800808399	RWRQYFYOYHRSCE-CYBMUJFWSA-N	320.433	3.880	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2Oc2ccncc2)cc1	801602711	VYHHCNZDPKYWMM-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)C(C1CCC1)C1CCC1	802826664	KDXKFSROPZWWLX-UHFFFAOYSA-N	312.335	3.763	50	20	DHGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-c2ccccc2)c1	806760389	HMFMNRNECBJXBQ-ZDUSSCGKSA-N	311.385	3.552	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C2CC(C(F)F)C2)c1	814992934	SPVYBKUYPXRPLM-UHFFFAOYSA-N	317.723	3.501	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCC1(CSC)CC1	821010594	DBFHVFNHEBEVBJ-UHFFFAOYSA-N	321.490	3.717	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1cccc(Br)c1	827505914	FZRRLSIYZRKPQC-HZMBPMFUSA-N	311.223	3.719	50	20	DHGD	
O=S(=O)(CCl)N1CCC(c2cccc3ccccc23)CC1	830297617	DOPDAWCVQGQVIR-UHFFFAOYSA-N	323.845	3.545	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@@]2(CCSC2)C1	832510734	CYAQGCHUAYDXFP-LTFKWQPMSA-N	302.418	3.909	50	20	DHGD	
CCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(C)(C)C	836819681	SBRJFDFNIFXTNQ-SYCZXOQXSA-N	300.402	3.630	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c(F)c1	844274637	FKGNUGKXMIVYLA-UVTDQMKNSA-N	316.376	3.532	50	20	DHGD	
CC[C@H](COC(=O)/C(C#N)=C\c1ccc(OC)cc1)CC(F)F	845769511	PUDUWPBOMPEMBO-QENILXLESA-N	323.339	3.827	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(C)c(F)c1)c1nc(C)cs1	853688111	FVCSZPDHEYWDEP-ZDUSSCGKSA-N	322.409	3.676	50	20	DHGD	
Cc1nsc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1C#N	853897377	FJENQZFUAGLGIS-GFCCVEGCSA-N	323.538	3.924	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc(N2CCCC2)c1	854336138	MSONDPIJJGIQPK-UHFFFAOYSA-N	323.440	3.915	50	20	DHGD	
CC1(C)CC(C(=O)NNc2nc3ccc(Cl)cc3s2)C1	856234970	NHKNKMGNNBRBQJ-UHFFFAOYSA-N	309.822	3.829	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc([C@H]3CCCN(C)C3)c2)c1	856848085	AHXCPQJAQZFQOL-SFHVURJKSA-N	323.440	3.561	50	20	DHGD	
N#CC1(CC(=O)NNc2ccc(F)cc2Cl)CCCCC1	885139008	QRWNHTBPPHNUQT-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)c1cnc2ccccc2n1	899368810	MRAYWQHZUQUYPW-PXNMLYILSA-N	315.380	3.691	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)[C@]1(C)C[C@@H]1Br	907588940	COGBDZNGTHABDN-GXTWGEPZSA-N	307.191	3.588	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2C[C@@H]2C)c1C	915289700	BISMPAUAUDIWDH-CXMYXGCOSA-N	313.445	3.584	50	20	DHGD	
Cc1cc(C=NNC(=O)CSc2ccc(Cl)cc2)c(C)[nH]1	917572500	YBNBACIQWNLLHM-UHFFFAOYSA-N	321.833	3.527	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1nnc(C2CC2)s1	929231822	KHTGVVFCAFEPHX-UHFFFAOYSA-N	323.809	3.526	50	20	DHGD	
Cn1nccc1[C@H]1CCCCN1C(=O)c1cccc(CCl)c1	1120647068	GYIXBNYFGKNCTR-MRXNPFEDSA-N	317.820	3.526	50	20	DHGD	
CCCc1nc(C)c(CNC(=O)c2cccc(CCl)c2)o1	1337289247	MQAQNNZJFCFXSG-UHFFFAOYSA-N	306.793	3.604	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)CC(C)(C)C)cc1C(=O)O	1600462879	QFXFABNUHDUEEH-LLVKDONJSA-N	306.406	3.599	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2ccccc2)cc1	5712579	HYUQOUXJEBXUHZ-QGOAFFKASA-N	320.392	3.651	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1	33594651	IOLBPLLWDJBTJM-VDJHTXBNSA-N	304.305	3.941	50	20	DHGD	
CC(C)[C@@H](C)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	112478508	UTEVKXKDCJMLBX-CYBMUJFWSA-N	317.882	3.523	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1c(F)cccc1F	118513591	IHWSYCRZRWTYCE-LLVKDONJSA-N	322.380	3.730	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Br)cc1	141252269	ZPIZVJHLRNAMRO-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
CC(C)(C(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	152411197	PNPHTNKZDTZKJJ-UHFFFAOYSA-N	308.303	3.525	50	20	DHGD	
C[C@H](CBr)CN[C@H](C)c1cccc(OC(F)F)c1	152772497	RZSYNXOHIOEEEC-NXEZZACHSA-N	322.193	3.970	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2ccccc2OC(F)F)c1	158717221	JAOIZJLHMINGLL-UHFFFAOYSA-N	320.339	3.591	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccc(F)c1Cl	175488983	ZELVODKOROPGPM-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(F)cc(Cl)c1O	178463726	MWVUMOYUDKHOHZ-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CC(C)(C)Sc1ccc(NC(=O)NNC(=O)C2CCC2)cc1	272426749	CEJNJIPJCMUDTH-UHFFFAOYSA-N	321.446	3.530	50	20	DHGD	
C=C(CBr)CN[C@H](C)c1ccc(OC(F)F)cc1	279835635	ZIQYCTDCCBOODT-SNVBAGLBSA-N	320.177	3.890	50	20	DHGD	
COC(=O)N(C)N=C1CCCc2cc(SC(F)F)ccc21	496599757	KCLRXQVUKMVGGC-UHFFFAOYSA-N	314.357	3.740	50	20	DHGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	727944454	GDXDXGVJGBZPNL-HOCLYGCPSA-N	300.406	3.543	50	20	DHGD	
C[C@H](CCC1CCCCC1)NC(=O)NNc1cccc(C#N)c1	734677008	GXCTWJPQDHHABU-CQSZACIVSA-N	314.433	3.933	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CCC[C@@H]1Cc1ccccc1	739031416	FYMHZRAWLFNKBU-SJLPKXTDSA-N	309.413	3.724	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc3ccccc23)[C@@H]2CCCO[C@H]21	743441677	MCGODHBEQVIWPO-FUHWJXTLSA-N	322.408	3.761	50	20	DHGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2ccc(Cl)c(F)c2)C1	746696940	FESJHRZIFNUXFQ-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@@]12CCc1ccccc12	749284313	QWJOCWUHNLPEQL-SJLPKXTDSA-N	312.800	3.687	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2c(C)nc3ccccn23)CC1	751515868	FZDDUQVOXBYDPW-UHFFFAOYSA-N	312.417	3.719	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Cl)cn1	752811719	AUDMUPDQFDEIIS-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)Nc1ccccc1-c1ccccc1	755391022	IORUINMXIZKZDJ-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)COc2cccc(Cl)c2C)c1	760147989	XICJNEAPQZQWBC-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CC(C)O[C@@H]1CC(=NNC(=O)c2cc3c(s2)CCC3)C1(C)C	764896456	ORXMOXNPGWFANG-OAHLLOKOSA-N	320.458	3.546	50	20	DHGD	
O=C(NN=CC1Cc2ccccc2C1)c1cc2ccccc2o1	766456111	WUYHWVMOJSEJQL-UHFFFAOYSA-N	304.349	3.563	50	20	DHGD	
CCc1nc(COC(=O)[C@H](Br)C(C)(C)C)cs1	766748098	CFRJOIJWUOPVCV-JTQLQIEISA-N	320.252	3.558	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)C1CCCCC1	768249932	FFIJHTGSMWVBJF-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)OC[C@H](C)CBr	770417781	KHLZNBRBCMZLDI-UPJWGTAASA-N	321.255	3.546	50	20	DHGD	
CCC1CCC(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	776634724	MGQZGOLZRVAUSQ-GZTJUZNOSA-N	312.413	3.632	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2ccccc2OC(F)(F)F)C1	779201349	GEOFTHVZDHYXGV-RGAIUGGKSA-N	314.307	3.775	50	20	DHGD	
O=C(NN=Cc1ccc(SC(F)F)cc1)c1ccccc1F	781575562	JTPZSBCRIRRAOL-UHFFFAOYSA-N	324.327	3.904	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C#N)C2CCCCC2)c1	782449599	VWJKEBZCSIAVND-FJJYYWMZSA-N	324.380	3.618	50	20	DHGD	
Cc1ccccc1/C=C(/C#N)C(=O)NCc1cccc(Cl)c1	786055163	CDOGHQNNVVGHIW-YBEGLDIGSA-N	310.784	3.872	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccnc2C(F)(F)F)c(C)c1	788588563	VUBFZQRMOUMYQM-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
N#C/C(=C/c1ccsc1Cl)c1nnc2n1CCCCC2	790100770	IEPXXQMXHXQQCH-FLIBITNWSA-N	304.806	3.784	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc2occc2[nH]1	791719985	NMFYHUUXDCOSND-UHFFFAOYSA-N	310.140	3.825	50	20	DHGD	
Cc1ccc2c(c1)CCN(/C(=C/C#N)c1cccc([N+](=O)[O-])c1)C2	792312817	OXYLIGVRPKFJJR-FBCYGCLPSA-N	319.364	3.826	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C1(CC(C)C)CCCC1	798312062	RMCXFWPOUFUHNU-UHFFFAOYSA-N	317.433	3.754	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1cccc(O)c1	799587076	NYWXKLXPFJWTAZ-ZDUSSCGKSA-N	313.401	3.650	50	20	DHGD	
C/C(C=NNC(=O)C1CCCC1)=C/c1ccccc1OC(F)F	811638470	OZZQIKRABBBZQB-NYIGFVHDSA-N	322.355	3.984	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)CC2CCCCC2)cc1C	812721600	YNLWVOMAFJSYJC-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
CCCc1[nH]ccc1C(=O)NNc1ccccc1C(F)(F)F	817518930	SFEDTKJYZSVZBR-UHFFFAOYSA-N	311.307	3.743	50	20	DHGD	
C/C(=C/C(C)(C)C)C(=O)NNc1cc(Cl)nc(Cl)c1	819746543	AMEBTBDSFSOLQT-FPLPWBNLSA-N	302.205	3.824	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3ccc(Cl)nc3)CCC2)cc1	819886291	SBNGUOVJALNCGT-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNc1ccc(F)cc1	825313826	FXWPPLRDCISGGC-XYPHTWIQSA-N	322.424	3.746	50	20	DHGD	
COC(=O)c1ccc(NNC(=O)C[C@@H](C)CC(C)(C)C)cc1F	837051398	HGXVDQYAQNUBDQ-LLVKDONJSA-N	324.396	3.518	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1cccc(Cl)c1Cl)OCC	838350691	YKXVXVFMKPRIQS-LBPRGKRZSA-N	317.216	3.808	50	20	DHGD	
CC1(C(=O)NNc2cc(F)ccc2Br)CCCC1	840532797	XDUWOWWQCDERMO-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	855468698	HFDCURMVLJEZGS-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2ccc(C)c(F)c2)cc1C	856230554	UXOKYIRZDIGGFR-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc(C=O)cc1	861791115	AOROVLVOBOTARX-UHFFFAOYSA-N	310.397	3.617	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2C)CCO1	885126627	CJFOQPRUPQVZDL-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cn(CC)nc2C)c1C	899341629	GBJZLAQGKRQVJU-MHWRWJLKSA-N	322.412	3.606	50	20	DHGD	
CCOc1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)c(C)c1	906341823	PJLJPQZFOCKADY-GXTWGEPZSA-N	312.207	3.506	50	20	DHGD	
CCCOc1c(C=NNC(=O)C2CCCC2)cccc1OCC	914835206	BVIZEXSTIVHMCS-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
O=C(COc1ccc(F)cc1)NN=C1CC[C@@H]2CCCC[C@H]2C1	916331198	HWUGVVKTBHXDLZ-KBPBESRZSA-N	318.392	3.667	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccccc1OCc1ccccc1	916342891	SWXZSDJQXXRMNA-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CC(C)[C@H](CNC(=O)NNc1cccc(C#N)c1)c1ccccc1	916625927	TWTCXIPWSLFJDG-SFHVURJKSA-N	322.412	3.624	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNC(=O)c1ccc2ccccc2c1	918622446	MWCUKCFBVNJELI-CQSZACIVSA-N	312.413	3.817	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1scnc1Cl	920080544	GLZONXCWTQUAEV-UHFFFAOYSA-N	312.734	3.541	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1csc2ccccc12	1334089445	MSVDIGZJXDSZRG-LWMMSDEHSA-N	300.383	3.522	50	20	DHGD	
C[C@@H]1OCC[C@H]1c1nnc(CCCC[C@@H]2CCSS2)o1	1349376414	OKDYEKWBIZOTNG-QJPTWQEYSA-N	314.476	3.829	50	20	DHGD	
C[C@@H](CCCc1cccnc1)NC(=O)c1cccc(CCl)c1	1353716717	MLYNBBXQKQEYSN-AWEZNQCLSA-N	316.832	3.962	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CCCCC1	1592253542	ZGWSRBYYKYERQD-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccccc2F)c(C)c1	92430806	MMFDUSVTLDZSNL-UHFFFAOYSA-N	303.337	3.681	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)NNc2ccc(F)cc2)c1	92930349	UTCXCDBNDDRARV-UHFFFAOYSA-N	301.321	3.567	50	20	DHGD	
C[C@H](OCc1ccccc1)C(=O)NNc1cccc2c1CCCC2	120122125	WFTJSVPLMLMARY-HNNXBMFYSA-N	324.424	3.614	50	20	DHGD	
O=C(/C=C/c1ccccc1F)NNc1ccc(Cl)c(F)c1	130494799	BNCYVNRIAGZLRA-VMPITWQZSA-N	308.715	3.775	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)C)cc(Cl)c1OC	171020276	ONLJIQZTJBNKRB-WUXMJOGZSA-N	307.777	3.879	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccc(F)cc2Cl)c1	193510129	SMZVEVRENFSKQG-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CC[C@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	193934545	KMWQREBVHDRICP-UWCCDQBKSA-N	320.392	3.609	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1)c1c(Cl)cccc1Cl	727781177	GJBZSLIJQAUCIB-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)OC2CCCCC2)c1C	728287856	YZALPLDEOWRDQC-LFIBNONCSA-N	300.402	3.908	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc(Cl)cc1	734249719	IUGVQZCULNKYIA-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc3ccccc23)C1	741582438	XWDRBPVOHPPFFO-CABCVRRESA-N	324.424	3.817	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(F)cc1F)c1cccc(Cl)c1	743336648	NSZHSZKXMRRQAL-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2ccccc2Cl)c1C	748303199	XRKAIENHAVPBQY-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)COc1ccc(Cl)cc1C	748544897	WLQZXIKDWBTCJG-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
Cc1c(NNC(=O)[C@H](C)CC2CCCC2)cccc1[N+](=O)[O-]	748684519	CZJLATHXDRKEQX-LLVKDONJSA-N	305.378	3.563	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)/C=C\Sc2ccccc2)c1	748785065	KOOBWAABNIGNDI-KTKRTIGZSA-N	302.374	3.883	50	20	DHGD	
O=C(NCC1(C2CC2)CC1)NNc1ccc(Cl)cc1Cl	752699557	VNNQAFMJELVWJI-UHFFFAOYSA-N	314.216	3.810	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)c1ccc(Br)cc1Cl	755702125	ZATHXJHFQVRCPD-MRVPVSSYSA-N	317.614	3.864	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)COc2cccc(C(C)C)c2)c1	760148002	XWHICCUKELSSHS-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1cc(C)ccc1C	768311994	RVMVLNCTMBLTCY-DOTOQJQBSA-N	304.434	3.732	50	20	DHGD	
C[C@@H](CBr)COC(=O)/C=C\c1ccc(Cl)s1	770315170	AULNUBOGVQQFNI-NHLYECAPSA-N	323.639	3.989	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCc2ccc(F)cc21	771319848	OYIKBHKMHJMBBV-OAHLLOKOSA-N	317.339	3.587	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1OC1CCC1	771689014	MSUBSWUCWYCLBN-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(=O)C3CCCCC3)ccc21	773914130	DBLXPUOWTPGGSH-SFQUDFHCSA-N	322.408	3.652	50	20	DHGD	
N#C/C(=C\c1nc2c(s1)CCCC2)c1nc2ccccc2[nH]1	776264205	WPLKXNLVOSMQKC-PKNBQFBNSA-N	306.394	3.962	50	20	DHGD	
CC1CCC(N(C)C(=O)[C@@H](Br)C(C)(C)C)CC1	781073413	JPUIIZAVONAOET-HTAVTVPLSA-N	304.272	3.833	50	20	DHGD	
C[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	785760093	UXHMEBIMGGMORD-NCWWNVCXSA-N	300.377	3.818	50	20	DHGD	
CCc1ccc(N(CC)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	786922092	XISHTTLGHZEILA-LGMDPLHJSA-N	320.392	3.915	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(F)c1[N+](=O)[O-])C1CCCCC1	790593875	ANOKULPVZPGJBO-LLVKDONJSA-N	323.368	3.784	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1cc(C)sc1C	790667369	KVMVJDIWISLXBZ-SECBINFHSA-N	304.506	3.736	50	20	DHGD	
CSSCCNC(=O)/C=C(/C)c1cccc(Cl)c1	791099403	HEFCECXOTUVEOL-NTMALXAHSA-N	301.864	3.871	50	20	DHGD	
Cc1cccnc1NNC(=O)C(c1ccccc1)c1ccccc1	791210833	BZEUETWBWMJIPH-UHFFFAOYSA-N	317.392	3.665	50	20	DHGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccccc1-n1ccnn1	794730306	AADJMVZIFODVCD-HJWRWDBZSA-N	323.783	3.902	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2c(C)cccc2CC)s1	799758156	ZIABGOXVXIZQHG-UHFFFAOYSA-N	303.431	3.642	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1sccc1Cl	806904193	YCEMHZPNFYFUSP-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CCCC(=NNC(=O)COc1ccccc1O)C1CCCCC1	814952152	MYSUGEYZXPKLON-UHFFFAOYSA-N	318.417	3.624	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2ccc(Cl)s2)cc1	814999793	OEWDKVUOFHLDEC-UHFFFAOYSA-N	323.805	3.956	50	20	DHGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1cccc(Br)c1	824209671	VBBREYXZYFPVBX-GWCFXTLKSA-N	311.223	3.719	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cnn(CC3CC3)c2)cc1	836439327	SZLZHHHYZVTVSN-UHFFFAOYSA-N	313.405	3.565	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(C)cc2Cl)o1	836935688	SOWFEFNCLVUBGR-UHFFFAOYSA-N	307.781	3.654	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C(F)(F)F)cn1	844262959	ICUCTUUCWDXARZ-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)on1	844347547	JROLQOYCOSBHOU-AWEZNQCLSA-N	310.514	3.969	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@@H]1CCCC(F)(F)C1	853874144	ALNCQHKQHKFEFR-SNVBAGLBSA-N	321.730	3.683	50	20	DHGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNc1cc(F)cc(Cl)c1	854036025	JYYDWLFTTRHLPS-MRVPVSSYSA-N	321.730	3.541	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)[nH]1	865226000	NNNTYZLTAXOIQF-XFFZJAGNSA-N	313.382	3.589	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)cc1	915917686	HVBSAIVIJNEREX-HZPDHXFCSA-N	313.445	3.869	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1cc(C)oc1C	916315445	SQIXAYVNHHHMEV-UHFFFAOYSA-N	302.399	3.601	50	20	DHGD	
O=C(NN=Cc1cc(F)ccc1F)c1ccc2ccccc2c1	917545684	XAQQQGAVLFGBTI-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OCC)c(OCC)c1	920991403	STMOFMSDODLJHJ-RVDMUPIBSA-N	317.385	3.734	50	20	DHGD	
C=CCCO[C@H](C)C(=O)NN(c1ccccc1)c1ccccc1	921145912	QTLKGFSNQARPGR-MRXNPFEDSA-N	310.397	3.837	50	20	DHGD	
C[C@H](c1ncccn1)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	931001097	UTPOEKSWKLGESW-ZIAGYGMSSA-N	307.514	3.634	50	20	DHGD	
O=C(CCl)N1CCC[C@H](Oc2ccc(Cl)c(Cl)c2)C1	1116438422	PQRZMONTOBBUCM-JTQLQIEISA-N	322.619	3.602	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(Cc2ccc3ccccc3c2)o1	1327885417	QOZVXYRSNLODOA-FOWTUZBSSA-N	305.337	3.715	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccc(O)c3)n2)cc1	7212279	LCFSVKWIUVWZDH-OQLLNIDSSA-N	303.321	3.815	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)c(F)c1)c1ccccc1	7746894	DEKZUDMUJHHKRI-KMHUVPDISA-N	312.319	3.749	50	20	DHGD	
O=C(NCc1ccco1)NN(Cc1ccccc1)c1ccccc1	53494463	LNJSBSDLXNAFAP-UHFFFAOYSA-N	321.380	3.701	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(OCC2CC2)CC1	79327376	HYEYQFPGXUQPCG-WSVATBPTSA-N	300.377	3.581	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2c(F)cccc2F)c1	84632091	CKOOPDFGPXTPFA-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccnc1Cl)c1cccc(F)c1	85681595	YJPBEDMBBIFSSB-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
CN(C)c1ccc(NC(=O)NNc2ccc(F)cc2)cc1Cl	92760621	XWKFXZJNOVWQDO-UHFFFAOYSA-N	322.771	3.694	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cccc(OCCF)c1	92929089	XEWHBXPHXFKGKY-UHFFFAOYSA-N	323.755	3.837	50	20	DHGD	
CCOc1ccccc1[C@@H](CC)NC(=O)NNc1ccccc1	114952231	OAYDDYDNIVOWTM-MRXNPFEDSA-N	313.401	3.863	50	20	DHGD	
CC1(C(=O)NNc2nc(C(F)(F)F)cs2)CCCCC1	121679039	JFBTVSOIWRMKOQ-UHFFFAOYSA-N	307.341	3.575	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)c3nc4ccccc4n3C)ccc21	129720498	WHABSCUQNCFVAA-VBKFSLOCSA-N	314.392	3.630	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2ccc(F)cc2Cl)c1	132771185	RUDJIQSUSFUQAS-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@H]1c1cccc(F)c1F	159741662	JDGYERQZLDQBPL-QWHCGFSZSA-N	322.742	3.865	50	20	DHGD	
O=C(CCCc1cccs1)NNc1cc(F)c(F)cc1F	172089412	GHISIBJKVOERKZ-UHFFFAOYSA-N	314.332	3.631	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccccc2)C1	177082070	VLRYGOSGVYHFHD-KLSKMWHSSA-N	319.364	3.949	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(F)cc2cccnc12	184361248	IZQAAGKEKDPQOA-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccc(OC)c1)c1ccccc1	194866337	ORGMUFLEKYDTLY-WPNIOXTASA-N	320.392	3.870	50	20	DHGD	
CSCCCCC(=O)NNc1cc(Cl)ccc1Cl	267847763	PFUNUGWFSNALKE-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1	490784255	YIPDDWQGGARPIG-CXUHLZMHSA-N	319.339	3.860	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	588534491	GISKBDSRAPJEOX-KMKOMSMNSA-N	316.710	3.790	50	20	DHGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1ccc[nH]1	725854356	NEEPPHCEHYDQIE-UHFFFAOYSA-N	303.365	3.562	50	20	DHGD	
C=CCOc1ccc(C=NNC(=O)CC(C)(C)C)cc1Cl	728429756	OQLRTRPIGJUMEC-UHFFFAOYSA-N	308.809	3.791	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)c1ccccc1	728437393	BQEBKYWDNGNKQP-YFHOEESVSA-N	306.152	3.517	50	20	DHGD	
COc1ccc([C@H]2CCCCC2=NNC(=O)C2CCC2)cc1F	732712057	OAXXZAQNRXQJSG-CQSZACIVSA-N	318.392	3.764	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ncc(C(C)C)o2)cc1	733396145	UGONCPQNQXWDAH-NVNXTCNLSA-N	310.353	3.757	50	20	DHGD	
C[C@@H]1CCC[C@H](CNC(=O)NNc2cc(F)c(F)cc2F)C1	734665565	ZPYGZLISKQTSMX-ZJUUUORDSA-N	315.339	3.556	50	20	DHGD	
COc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1C	741465612	QIPSMMUMGIKIKD-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(C2CC2)C2CC2)cc1	742819716	CYNIUPLQIAZVRX-GZTJUZNOSA-N	324.424	3.545	50	20	DHGD	
COCc1cccc(C=NNC(=O)c2cccc3ccccc23)c1	743441995	SOIKSJICHDAJCD-UHFFFAOYSA-N	318.376	3.750	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(C)cc1O	747646947	VZJTUSSXJSYJBA-UHFFFAOYSA-N	320.751	3.647	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)CSc1nc2ccccc2s1	755511804	WQNQGAUQQBYRDR-SNVBAGLBSA-N	307.444	3.537	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-]	761255643	VNFKWMHCZPQZTC-NSHDSACASA-N	321.377	3.674	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(F)c(Cl)c1Cl	761745325	VIPPTNDXWACTQS-UHFFFAOYSA-N	307.152	3.991	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NNc1ccccc1Cl	768312359	YIKYSEVRIAUHOL-SNVBAGLBSA-N	319.630	3.593	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cnn(C(C)C)c1C	771262873	YUOJXESNYSCTKO-UHFFFAOYSA-N	317.345	3.517	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CC(C)(C)c1ccccc1	771707639	SRGGMYPLEMTALT-UHFFFAOYSA-N	300.377	3.945	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccccc1C(F)(F)F	772009907	NTCOWPBSVWFHSY-NSHDSACASA-N	300.324	3.975	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cccc(OC(F)F)c2)[C@H]1C	781122189	LORQEASDKZRVPB-QWRGUYRKSA-N	310.344	3.830	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)cc(Cl)c1O	781556244	VVODQHRRUYKIFB-WUXMJOGZSA-N	305.761	3.720	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(SC(F)F)cc1	781571137	HHBQOLPILFCLTA-UHFFFAOYSA-N	302.346	3.860	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Cl	783710760	NKYWHKHIYQRESO-JLATVTFTSA-N	305.761	3.950	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790096867	JHGVUDUTAITNSV-CSKARUKUSA-N	303.264	3.695	50	20	DHGD	
O=Cc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cs1	791713041	BCLKZERBUBHFGV-UHFFFAOYSA-N	315.181	3.624	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2c(F)ccc(O)c2F)ccc1[N+](=O)[O-]	794947543	XURDGUJRKUGXHV-YRNVUSSQSA-N	316.263	3.951	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](CC)Cc1ccccc1	795509672	LPRJCAHNQFWTIL-CQSZACIVSA-N	311.219	3.750	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OC)cc1Cl	797342822	VPMUHCAUVDIDKM-LCYFTJDESA-N	306.793	3.562	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)CCc1ccco1	799528296	ZGXQRKKYGLSGIV-CQSZACIVSA-N	315.417	3.798	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1ccc(C#N)cc1	799757578	CIUUEVNMBPXGKP-UHFFFAOYSA-N	307.397	3.505	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccsc2)c(C)c1OC	806554251	OHELIVZPTBTQOM-ZSOIEALJSA-N	313.378	3.864	50	20	DHGD	
C[C@H]1CC(NCc2ccc(OCCCCl)cc2)C[C@H](C)O1	811486320	LQIIKJOGSNIXQQ-KBPBESRZSA-N	311.853	3.740	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)C)[nH]n1	812768722	DDFXDRLOZXZMSD-UHFFFAOYSA-N	300.406	3.722	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1ccccc1F	813460262	ADWDTEANOXOOHR-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	827181072	UVHVYXZRFCNTJY-FZMZJTMJSA-N	312.360	3.948	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NCC(C)(C)CCC#N	838591030	CJAOJRFYGHPLGI-UHFFFAOYSA-N	308.813	3.605	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(O[C@@H](C)COC)cc1	853006936	YWIYYVMHSXPJNC-UDKOXHGFSA-N	301.386	3.622	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NN[C@H](C)C(F)(F)F)cc1	862313366	GAQMLXLAJWBODI-VXGBXAGGSA-N	316.367	3.875	50	20	DHGD	
N#C/C(=C/c1cccnc1Br)C(=O)C1CCCC1	865220985	BOKXHTTXBQLUFD-WQLSENKSSA-N	305.175	3.510	50	20	DHGD	
N#C/C(=C\c1ccc(F)c2ccccc12)C(=O)C1CCOCC1	865223930	NANONQWPVZSZQN-RVDMUPIBSA-N	309.340	3.882	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccc(C(C)C)nc1	885124673	BJECEXLFSLXKGM-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C1(C(F)(F)F)CCC1	885126748	FIGPHGGWBJUANJ-UHFFFAOYSA-N	306.715	3.824	50	20	DHGD	
CCCc1nc(C)c(NC(=O)[C@]2(C)C[C@H]2Br)s1	907509818	AMNOATVXPICSTR-PRHODGIISA-N	317.252	3.516	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(OCC#N)c2)c1	918735328	HSOVQWMGFCDBHE-WQRHYEAKSA-N	316.360	3.996	50	20	DHGD	
COc1ccc(C(=O)NCC(Cl)Cl)cc1-c1ccccc1	1324703000	JERLNGLJLUTMTH-UHFFFAOYSA-N	324.207	3.896	50	20	DHGD	
CC(C)(C)[C@H](Br)c1nnc(Cc2cccnc2)o1	1331909508	YQINJVKMKOBZHN-LLVKDONJSA-N	310.195	3.538	50	20	DHGD	
N#C[C@]1(NC(=O)c2cccc(CCl)c2)CCc2ccccc2C1	1346993837	VHIMGODAYCBDCC-IBGZPJMESA-N	324.811	3.606	50	20	DHGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)c1cccc([N+](=O)[O-])c1	1350915871	CRVMYIPQSGEJHI-XSRFYTQQSA-N	310.781	3.570	50	20	DHGD	
N#C/C(=C\c1ccc(Br)cc1F)C(=O)c1ccco1	16882610	AXTCOLARTZNYRH-UXBLZVDNSA-N	320.117	3.971	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccccc2)cc1OC	70716814	JSLASUKUCWRVBA-UHFFFAOYSA-N	314.385	3.631	50	20	DHGD	
C[C@@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(CCl)cc1	88925325	CKTBGPHOTSHSOF-GFCCVEGCSA-N	321.829	3.565	50	20	DHGD	
CC(C)(C)c1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1	91984259	OGDJQEAPTMICQZ-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
CN1/C(=C(\C#N)C(=O)CSc2ccccc2)Nc2ccccc21	103763626	GKKKORJJYQRNGG-NBVRZTHBSA-N	321.405	3.645	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccc(O)c2)c(C)c1	111677297	ISTMZJWGYWLVQT-SXGWCWSVSA-N	306.365	3.863	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C)cc1C	111677322	ORGLZONNHXXXIG-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	131604295	QHKMEBKGGUMSRM-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccnc(F)c1	155275035	SNOZXDOVJKLWBX-UHFFFAOYSA-N	312.256	3.501	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cccc(-n2cccc2)c1	184365068	JWVZHPHYAGCWIP-UHFFFAOYSA-N	309.344	3.682	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	193581462	VLTYFUCLHOLFHV-AWNIVKPZSA-N	320.352	3.721	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	207912583	BFEHVNMUHDYICM-PDGQHHTCSA-N	319.360	3.902	50	20	DHGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)c1ccccc1	215954372	HBWOBCAYGXVQCW-FOWTUZBSSA-N	305.333	3.638	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	490587820	KWGSZQWKOFLIQE-GDNBJRDFSA-N	316.364	3.725	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)Cc2c(Cl)cccc21	728697802	WHPYNTMILVQDHA-IZZDOVSWSA-N	307.180	3.598	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)c1cc2c(s1)CCC2	729635805	NGZQOFVMAMRSDT-UHFFFAOYSA-N	310.488	3.874	50	20	DHGD	
CC[C@H](Cc1ccc(Cl)cc1)NC(=O)NNc1ccccc1	734952921	HYTINLJTSUHAOI-OAHLLOKOSA-N	317.820	3.987	50	20	DHGD	
COc1ccccc1-c1ccc(C(C)=NNC(=O)C(C)C)cc1	741455657	LRGFIJGPQZVERG-UHFFFAOYSA-N	310.397	3.858	50	20	DHGD	
O=C(CSc1nc2ccccc2s1)NN=CC1CCCC1	741838649	WFBNDSAQVICNNT-UHFFFAOYSA-N	319.455	3.681	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=CC1CCCCCC1	741838901	XUHQDQFVECBYFU-ZDUSSCGKSA-N	306.381	3.665	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1OC1CCCC1)C1CCC1	743442214	TZOOKWWTLUJGTO-UHFFFAOYSA-N	320.820	3.912	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H]1C[C@H]1C1CCCCC1	745857964	NHYYAGBJBFGNQI-WFASDCNBSA-N	307.825	3.935	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc2cccnc12	746695088	AMHCXQBTSJKIJT-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCC(=NNC(=O)c1cccc2cccnc12)c1ccc(F)cc1	747362115	NJLKPXGBCJXGOH-UHFFFAOYSA-N	321.355	3.918	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1[nH]c(-c2ccccc2)nc1C	749447058	NPYBSNHIPSKTGR-UHFFFAOYSA-N	324.428	3.806	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1cccc(C(F)(F)F)c1	752172733	BOOLMKGHUSLHND-UHFFFAOYSA-N	310.275	3.761	50	20	DHGD	
Cc1ccc2c(c1)CCN2C(=O)[C@H](Br)C(C)(C)C	768387729	WNPYGMZLALUILV-ZDUSSCGKSA-N	310.235	3.694	50	20	DHGD	
CC[C@H](CC(F)(F)F)NC(=O)[C@H](Br)C(C)(C)C	768448076	PAEQJDBODAOFPZ-SFYZADRCSA-N	318.177	3.643	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1cccc(Br)c1	769605620	LYJHWZZWUGEYNU-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
CN1CC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771858964	JBJTYYICCWKMRA-UHFFFAOYSA-N	316.251	3.742	50	20	DHGD	
N#CC(C#N)=CNCc1ccc(Sc2ccc(F)cc2)cc1	773149033	JXFAHQNZTXAEGY-UHFFFAOYSA-N	309.369	3.998	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	774182273	XIXBCIQBTFEUFL-MELADBBJSA-N	320.408	3.884	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])cc1	775422516	RDYBDHNGEYYTDN-UHFFFAOYSA-N	314.345	3.867	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc(Cl)c1O	775781448	CLPXMNLHKSARRG-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)C1CCCC1)O[C@H](C)C2	781554315	MIRGFHCLZADNEA-VJMCZWTHSA-N	311.381	3.685	50	20	DHGD	
CCOCCC=NNC(=O)c1cc2c(s1)CCCCCC2	788421417	SOKNLDXSVBJEQM-UHFFFAOYSA-N	308.447	3.549	50	20	DHGD	
C[C@@H](CBr)CN(Cc1c(F)cccc1F)C1CC1	792322505	FSYVZZRNYAPSPR-JTQLQIEISA-N	318.205	3.960	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@@H](F)CC1CCCCC1	793779616	NRWCQFRWHASWHH-HNNXBMFYSA-N	315.392	3.986	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc3c[nH]nc3c2)cc1	793800245	QVMCJQNAJRQSSN-UHFFFAOYSA-N	322.412	3.546	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)nc1	797787605	WQZDZWGIBHHWHI-WJDWOHSUSA-N	305.381	3.982	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1ccccc1F	799520717	LMYKMBJZKSYBAJ-UHFFFAOYSA-N	301.365	3.523	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)cc1O	799755271	ASDCCJLLWPWVOO-UHFFFAOYSA-N	304.777	3.673	50	20	DHGD	
CCCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802091798	VSCNOROYGSVDPC-UHFFFAOYSA-N	318.204	3.726	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1cccc2c1CCCC2	802828027	TUECXWSAJYWAOT-UHFFFAOYSA-N	304.434	3.604	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1nccnc1C1CCC1	805472965	HURWTTOPPSKJFJ-ZDUSSCGKSA-N	304.438	3.794	50	20	DHGD	
CCc1cc(NC(=O)NNc2c(C)cccc2C(C)C)n(C)n1	812941713	LTIBYEXBNQBPPB-UHFFFAOYSA-N	315.421	3.563	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)C[C@@H]1CCOC1	813100631	IMMFXGUIVCERKY-GJZGRUSLSA-N	319.449	3.560	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)[C@H](C)CCCCC(=O)O	814732481	NVOQTQUFOPFAJZ-LLVKDONJSA-N	324.808	3.727	50	20	DHGD	
N#C[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2Cl)C1	814761795	CTDVQFOSMRDAEK-SECBINFHSA-N	310.184	3.793	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cc(F)c[nH]1	814800968	VIOTZKUKTFWEFF-UHFFFAOYSA-N	309.344	3.505	50	20	DHGD	
C[C@@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CC1(F)F	817441207	IVNNPQIWWYMQQR-JTQLQIEISA-N	313.106	3.621	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](CC)CC(F)(F)F	831243775	WLRHJLLVTHYMQR-GFCCVEGCSA-N	302.340	3.979	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)n2cnc3ccccc32)cc1	837053577	UREFHCRMVVDCKE-CQSZACIVSA-N	322.412	3.864	50	20	DHGD	
CC(C)OCCC(=O)NNc1ccccc1Cc1ccccc1	846464883	UIXMVUQISAGQDB-UHFFFAOYSA-N	312.413	3.536	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ncc(C#N)cc2F)C1	853897580	MCRNOFRRYJQZKB-CYBMUJFWSA-N	321.472	3.693	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCc1cccnc1	854577441	AGRPMNNWDJEKIU-UHFFFAOYSA-N	311.429	3.979	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(F)c(Cl)c1	863082670	QFQMWIMKEPZWBF-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2cc(Cl)ccc2F)CCO1	871271500	QEHWABPHZGKDOT-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@@H](C)c1c(C)noc1C	885125528	SVYMZPWBIMJIFQ-SNVBAGLBSA-N	321.808	3.890	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)CC)c1cccc(Br)c1	915975232	TZZWGQGMDPTQII-JTQLQIEISA-N	311.223	3.726	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCCC[C@@H]2C)c1C	916337090	YOBZSTZKBRYNRR-ZFWWWQNUSA-N	302.418	3.753	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)Cc2ccc(Cl)cc2)c(C)c1	916350981	UXLPELYPPCTVPB-UHFFFAOYSA-N	314.816	3.958	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C[C@H]3CC=CCC3)cc2C1	916353608	QZGKMBGIGHZMMQ-STQMWFEESA-N	302.443	3.945	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)cc2)n1	920387322	KOXHKOQLKWJCDJ-YRNVUSSQSA-N	302.330	3.523	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1F	1319572409	OHMGSWMXWIETDU-GXDHUFHOSA-N	316.376	3.532	50	20	DHGD	
Cc1csc([C@H](C)NC[C@@H](CBr)C2CC2)n1	1329791917	FZPCNHJGCVCOQS-GXSJLCMTSA-N	303.269	3.523	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCSC2(CCC2)CC1	1337266865	DMGRPNFEJOOJQS-UHFFFAOYSA-N	309.862	3.927	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2ccc(Cl)cc2)C1)c1ccon1	1552335981	VFFNCXBCNSSIHF-GFCCVEGCSA-N	317.776	3.772	50	20	DHGD	
CCCC(=CC(=O)NNc1cccc(C(=O)O)c1C)CCC	1595522033	JJNGQPQMTNQYBG-UHFFFAOYSA-N	304.390	3.663	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNc1ccc(C(=O)O)c(F)c1	1595666281	HNVRHXHRKQGTOP-QGZVFWFLSA-N	324.396	3.964	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccc(O)c1)c1ccccc1	41723733	ZFYFLYIQOHSMQS-FYXHJSOBSA-N	306.365	3.567	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1csc2c1CCCC2	66326056	ORKPQNRHAUULGG-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccnc(Cl)c1	71062505	MLKCEPAONNOFIW-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CSCc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	92603289	UAQMHAUXCXJICM-UHFFFAOYSA-N	305.378	3.837	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1cc2cc(F)ccc2[nH]1	106925584	VDNKGVLMEZDQPR-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(C(F)(F)F)c2)ccn1	120473384	LIWZFVBSRKVMPB-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1	132602420	RTMBSYVQBNTQEG-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2cccc(C(F)(F)F)n2)c1	152902782	VQUOKHBXCPHFGN-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)CCc2cccc(F)c2)cc1	158687141	SAUXURUUHFTNFI-AWEZNQCLSA-N	300.377	3.846	50	20	DHGD	
CCOCCC1(C(=O)NNc2cc(C)cc(C)c2)CCCC1	158851322	LNZPKKKNJPGXGA-UHFFFAOYSA-N	304.434	3.734	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CC=CC2)c1C	161073849	UNUDBQVREVEPED-ATVHPVEESA-N	311.429	3.647	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2c(C)cccc2F)cc1	184344474	KAQPDZQYLJCPMP-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
CSc1cc(C(=O)NNc2c(C)cccc2F)ccc1F	184391044	WUZXYZJNRYJPER-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cccs2)cc1	188604535	IXHHZPVRTAJVDD-GVIGZQTCSA-N	312.394	3.541	50	20	DHGD	
O=C(Cc1cccc(Cl)c1Cl)NNc1ccc(F)cc1	193758402	ZHTIEZPGQSXPHO-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1F	195501976	FOZOPWDGYAIKMW-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
N[C@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1	237966718	WKKZTHPJCUWJBQ-LSDHHAIUSA-N	324.515	3.517	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)nc1	291207221	GRKVGSINDSETIY-UHFFFAOYSA-N	321.327	3.563	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1scnc1C)c1ccccc1	490696129	NYJIWYVXDPSQSW-HNRFISLBSA-N	311.410	3.626	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	588555305	JZGXEFZVBIPMMM-ZROIWOOFSA-N	321.398	3.853	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(N(C)C)cc2)cc1	729809457	LUYPPZQMAUPAIH-PDGQHHTCSA-N	320.392	3.711	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)C1CCCC1	732924902	NFCSRWCEDPNNEO-UHFFFAOYSA-N	316.735	3.582	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2cccc(OC(F)F)c2)CC1	735971790	WWVWFQBZYPIYDQ-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
CC[C@@H](NNC(=O)c1ccccc1C)c1ccc(F)cc1F	738414815	AIQPPEWASQQLRA-MRXNPFEDSA-N	304.340	3.659	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CCC[C@H]2c2ccc(F)cc2)c1	741164736	YCUZJAKFSQKSHB-KRWDZBQOSA-N	321.355	3.751	50	20	DHGD	
O=C(NN=Cc1cccs1)Nc1ccc(OC(F)F)cc1	741772044	RYNRNFBNVJUCQI-UHFFFAOYSA-N	311.313	3.505	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CC[C@@H]2CCCC[C@@H]2C1	747051697	RMCGGYOVAVRQPL-JKSUJKDBSA-N	314.429	3.918	50	20	DHGD	
CC(=NNC(=O)COc1ccc(Cl)cc1Cl)C1CCC1	747624057	IPJHLDKCMGNNDP-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
N#Cc1csc(C=NNC(=O)c2c(Cl)cccc2Cl)c1	748075249	GUUAOEKHAMFHNI-UHFFFAOYSA-N	324.192	3.690	50	20	DHGD	
CC(C)(C)C=NNC(=O)COc1ccccc1-c1ccccc1	755506700	LRYBWLIHNSSLHX-UHFFFAOYSA-N	310.397	3.881	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2s1)c1ccc(Cl)nc1	758372126	IAIKCZPCZUMPAB-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)c1	760140625	JFPRGMGJMCPBQB-JSGCOSHPSA-N	316.376	3.926	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)c1ccc(F)cc1	767035758	NPBHNLVXSRCOBR-NSHDSACASA-N	302.187	3.598	50	20	DHGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)O1	767402990	SQTHUFLFAZIWET-KCJUWKMLSA-N	321.179	3.533	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)OC1CCCCC1	767716447	CPCPGTPUYHDSEK-WDZFZDKYSA-N	309.287	3.887	50	20	DHGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1cccc(C#N)c1	768209615	RTHVWGAICMMZPU-ZWNOBZJWSA-N	323.234	3.545	50	20	DHGD	
Cc1ccc(F)c(NC(=O)NNc2nc3ccccc3s2)c1	769926079	WDZOQYCVWISFPU-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2Cl)ccc1N(C)C	769959285	ZOBOQJJXOKSYGR-UHFFFAOYSA-N	318.808	3.863	50	20	DHGD	
Cc1ccc(Br)c(NC(=O)NNc2ccccc2)c1	770079592	MJZSEAKYRCPHFT-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CC[C@H](C)[C@@H](NC(=O)NNc1c(C)cccc1F)C(F)(F)F	772533110	SGZJPYREWPWWEU-QPUJVOFHSA-N	321.318	3.737	50	20	DHGD	
CC[C@H](C)[C@@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	779536088	FCEDMMQNRIOSCT-VHSXEESVSA-N	319.327	3.646	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@](C)(c3ccccc3)C2)c(O)c1	780210837	BCHAYDFVCPUQOD-FQEVSTJZSA-N	322.408	3.928	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(Br)c(C)c1	780516278	LXYWIDMQHRWZSP-MWLCHTKSSA-N	313.239	3.883	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ccn(C2CCCC2)n1	785345593	QNVYRWYFQIKVTA-FOWTUZBSSA-N	321.380	3.649	50	20	DHGD	
CN(C)C(=O)NN=C1CCC[C@H]1c1cccc(C(F)(F)F)c1	789000093	DMHVTDKHEOCOEE-LBPRGKRZSA-N	313.323	3.600	50	20	DHGD	
COC1(CC(=O)NNc2c(Cl)cc(F)cc2Cl)CCC1	790837448	WQXSVCMYYHCACJ-UHFFFAOYSA-N	321.179	3.535	50	20	DHGD	
Cc1cccnc1NNC(=O)CCCCCc1ccc(F)cc1	791223164	WYMBPWNWJBIOPW-UHFFFAOYSA-N	315.392	3.775	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	795115993	DWQKYFDOECVNGP-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccn(C2CCCC2)n1	799757131	VXLVBRUICXUUHO-UHFFFAOYSA-N	312.417	3.626	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cccc(CCl)c2)c1	799893676	VCFRBRPHVLWLKS-VCHYOVAHSA-N	324.811	3.957	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1nccnc1C1CCC1	805462758	DKOKLVGPEIFCDP-UHFFFAOYSA-N	304.438	3.794	50	20	DHGD	
C[C@@H](CBr)CN1Cc2ccccc2OC(C)(C)C1	808791483	ZRJQGORJUPHKLF-LBPRGKRZSA-N	312.251	3.691	50	20	DHGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	812539367	KIVHXBWUPACZAG-PSASIEDQSA-N	304.287	3.724	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1ccc(Cl)cc1Cl	815850670	XGRGKPSUDMLZQC-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C[C@H](C)CC(C)(C)C)c1F	837058674	VWSYPQIHXLCQRQ-NSHDSACASA-N	324.396	3.518	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)C2CC(C)(C)C2)cc1	838147497	ZUGGHRSRMCJFBX-XNTDXEJSSA-N	312.413	3.639	50	20	DHGD	
O=C(C=C1CCSCC1)NNc1cccc(Cl)c1Cl	838345617	KFVVCOPMQSJSCK-UHFFFAOYSA-N	317.241	3.890	50	20	DHGD	
O=C(CC[C@H]1CCCCO1)NNc1cccc(Cl)c1Cl	838346347	SQXXTEQWOVFOFM-SNVBAGLBSA-N	317.216	3.786	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@H](C)CC(F)(F)F)c(C)c1	840432609	FNLJJQCDMKWZQX-SNVBAGLBSA-N	317.355	3.826	50	20	DHGD	
CCOc1ccc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)cc1	854656064	BIMVAWBFMQRHFE-SNVBAGLBSA-N	317.216	3.502	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1cc(F)cc(Cl)c1	855619896	HGRWLIYETYKJAY-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
C[C@H]1CN(C[C@@H](CBr)C2CC2)C[C@@H](C)C1(F)F	859415478	VCPUKYXWAZCNFH-JFGNBEQYSA-N	310.226	3.631	50	20	DHGD	
CCCCN(C)C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	902965032	XNFVVABKHALCQI-ATVHPVEESA-N	301.434	3.680	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccc(F)c1	913188039	WPGBIMIRWPKHIO-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	915974587	MWYXDDSZWAHAPC-NSHDSACASA-N	320.339	3.937	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)C1CCCCC1	916340323	SBYCYGDCTNMCQW-CYBMUJFWSA-N	306.381	3.665	50	20	DHGD	
CSCCOC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	916602578	YPZBBJFOSIEKML-CXUHLZMHSA-N	320.458	3.574	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(Cl)c(C)c2)cc1C	928339894	NSYLWPOXRKSIND-LLVKDONJSA-N	320.824	3.881	50	20	DHGD	
O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)C1CCC(Cl)CC1	1123753807	ANLDTPWVOHCUCO-CVSAEHQPSA-N	311.853	3.534	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1)c1ccccc1Cl	1340910572	IVECBOVMYIMPCI-KMMPQYOHSA-N	302.736	3.908	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(Cl)c2)c(Cl)n1	1347783198	HKJKOLUQNIIBNO-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ccc(F)cc2F)s1	80024829	QSMQCPBHTBPYHZ-UHFFFAOYSA-N	310.369	3.801	50	20	DHGD	
CCCCN(c1ccccc1)S(=O)(=O)CCCCCl	88958510	QSKCNIYQYWSOIA-UHFFFAOYSA-N	303.855	3.642	50	20	DHGD	
N#CC(C#N)=CNc1ccc(-c2nc3c(F)cccc3[nH]2)cc1	107531818	MWWGPVWFCYPZFN-UHFFFAOYSA-N	303.300	3.712	50	20	DHGD	
CC(C)CCSCC(=O)NNc1cccc(C(F)(F)F)c1	110963757	YQYXVCCQXVAXQC-UHFFFAOYSA-N	320.380	3.928	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)n1	124784046	AZIYIAJTUBCDQM-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)c(C)n1C1CC1	128042889	GZKXNJHELLSNNB-UHFFFAOYSA-N	323.318	3.614	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cncc(OC(C)C)c2)c(C)c1	128538871	ZSXWKSNGNLAFPT-UHFFFAOYSA-N	313.401	3.551	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1cccnc1Cl	132721509	FXJCNIZFGXJFJL-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NN(C)c1ccccc1	149630953	AKJULNNWRDNUGQ-UHFFFAOYSA-N	303.431	3.530	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2csc(CC(C)C)n2)c1	158965144	DFODDABAKUQNRR-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1coc2ccccc12	160200172	KGRFKTANKMHFJW-JLHYYAGUSA-N	318.332	3.987	50	20	DHGD	
CCn1nccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	178865519	HCHFUVZMPPHOGK-YRNVUSSQSA-N	324.771	3.828	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	178961057	FAQBNQFSROKVLU-OKACTXMXSA-N	316.376	3.617	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc(C(F)F)c1	179818455	KRQFKOADJBFULV-UHFFFAOYSA-N	322.271	3.681	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1ccc2ccccc2n1	181155368	HSHCSRVPHOFQDX-UHFFFAOYSA-N	317.458	3.990	50	20	DHGD	
CCc1ccccc1C(=O)NNc1nc2ccccc2cc1C	181275950	NAVAODDYXSFOIY-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccc(O)c1)c1ccccc1	188582099	ZFYFLYIQOHSMQS-MUMAZLPKSA-N	306.365	3.567	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	207833674	DQABRAFWARXMCK-MZJNGDHJSA-N	312.413	3.687	50	20	DHGD	
Cc1sc2nc(/C(C#N)=C/c3cncs3)nc(O)c2c1C	254944226	SFQBRSIWAAJTOR-YCRREMRBSA-N	314.395	3.534	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cccc2ncccc12	730146483	YBJQFQWIQSQVPE-WVZRYYJFSA-N	319.408	3.777	50	20	DHGD	
CSc1ccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)o1	732731985	UMXNZFAERMEYRF-UHFFFAOYSA-N	307.327	3.746	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2cccnc2)o1	734295808	KVWMIQZFWNDXST-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2cc(F)c(F)cc2F)C1	734552392	VTPYBDRYHOKKEA-ZJUUUORDSA-N	300.324	3.763	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)cc1	735614307	SRVZRTZKFCGEBJ-GOSISDBHSA-N	317.392	3.687	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CSc3ccccc32)c(C)c1	743764547	MSQGUWAWHBQKPF-HNNXBMFYSA-N	312.438	3.944	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2ccc(F)cc2)cc1C	746583131	DKTACAHRAFONRK-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
CCC(CC)CC(=O)NNc1ccc(F)cc1Br	748076037	YMJPXOFNZRXEKN-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CC[C@H](C)C=NNC(=O)c1ccc(Br)cc1Cl	755702126	ZATHXJHFQVRCPD-QMMMGPOBSA-N	317.614	3.864	50	20	DHGD	
C[C@H](C=NNC(=O)CC12CC3CC(CC(C3)C1)C2)CCC#N	765995131	PRGKPFWPAVJUMV-IILDEKEXSA-N	301.434	3.635	50	20	DHGD	
Cc1c[nH]cc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768010242	YMWPSEMXUNFMMH-UHFFFAOYSA-N	302.136	3.526	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)[C@H](Br)C(C)(C)C	768276527	MLLZMSNBSRRYMY-ZDUSSCGKSA-N	312.251	3.729	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@H]1CCCc2sccc21	768513784	NQESXMOHDUGYSL-ZDUSSCGKSA-N	305.378	3.591	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@@H]1CCCc2ccccc21	770334952	BMSLARNUNJVMQG-SMDDNHRTSA-N	311.219	3.681	50	20	DHGD	
Cc1cc2cc(NC(=O)NNc3nccnc3C(C)C)ccc2[nH]1	770417996	AQQZAQZNMMHNGJ-UHFFFAOYSA-N	324.388	3.538	50	20	DHGD	
N#CC1=CCN(C(=O)CCc2ccc(-c3ccccc3)o2)CC1	780688381	GNOISAMDFJVCRS-UHFFFAOYSA-N	306.365	3.561	50	20	DHGD	
Cc1cc(NC(=O)NN=c2cc[nH]cc2)ccc1-c1ccccc1	782071537	GKCAOOFCIHUVNI-UHFFFAOYSA-N	318.380	3.628	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)C1CCC(F)(F)CC1	788700394	MTUCZXNHFQNDHV-UHFFFAOYSA-N	323.387	3.684	50	20	DHGD	
C=CCC[C@@H](NC(=O)NNc1ncccc1C)c1ccccc1	791033307	PVYJUSOVKXMGSN-MRXNPFEDSA-N	310.401	3.724	50	20	DHGD	
C=C(CBr)CN[C@@H](c1ccc(OC)cc1)C(C)C	791489375	FVCNFVKZKIAJBI-OAHLLOKOSA-N	312.251	3.933	50	20	DHGD	
Cc1csc(C(=O)OC[C@@H](C)CBr)c1Cl	791598648	FMTUGTJZWTUYKT-LURJTMIESA-N	311.628	3.898	50	20	DHGD	
Cc1ccccc1C(=O)NN=C[C@H](OC(C)C)c1ccccc1	792943975	PNAHLKNBTOORCJ-SFHVURJKSA-N	310.397	3.877	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)cc1Br	794691338	NHSPIKMXIVSPKS-VPMLRQHESA-N	322.202	3.980	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3nc4ccccc4[nH]3)sc12	809741780	WGHOZMIHFSBMEK-UHFFFAOYSA-N	322.393	3.843	50	20	DHGD	
CC(C)c1scnc1C(=O)NNc1cccc2cnccc12	810687572	QZBOXOKSHZFUKN-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2c(C)cc(C)cc2C)o1	815853578	QZKBBUPBIPXHIO-UHFFFAOYSA-N	301.390	3.618	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(F)c(SC)c2)cc1	817921316	RAJNOLNEDWPKBM-UHFFFAOYSA-N	320.389	3.703	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cc2cc(Cl)cnc2o1	834952908	PGZAITZTLIEWPS-UHFFFAOYSA-N	305.765	3.512	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(C(C)C)n2)c(Cl)c1	836937711	JXDSQIBEAAOTAS-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2c[nH]nc2C(C)(C)C)cc1	837053800	SRVGGEBGTZAZJH-UHFFFAOYSA-N	300.406	3.588	50	20	DHGD	
CCOCCC1(C(=O)NNc2cc(Cl)ccc2F)CCC1	871270933	AQRZINLOIMMVMW-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
C=C(C)CN(CC)C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	875122292	LJWCFYUFMSVGLH-WOJGMQOQSA-N	313.445	3.847	50	20	DHGD	
CCC(=O)[C@@H]1CCCN1C(=O)CCCC[C@H]1CCSS1	909339549	QPOTXESOGCDLEF-STQMWFEESA-N	315.504	3.671	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccnc3cc(Cl)ccc23)c1	913187712	LMOVZQZYIHCJOB-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC1(CCC(=O)NNc2ccc(OCC(F)(F)F)cc2)CC1	935025115	FUBVVFJIDRRUAU-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)n(C3CC3)c2C)cc1F	1329428509	OLHINPSDTZDKJX-UHFFFAOYSA-N	301.365	3.644	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1F)c1ccc(F)cc1	104130732	KILROLMKVNWGCC-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccc(C)cc2)cc1OCC	120471410	JRHYVWXVCVKQLI-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc(F)c(F)cc1F)c1ccccc1	128796149	SUQZAYZIJKNZGK-KPKJPENVSA-N	316.282	3.674	50	20	DHGD	
COc1cccc(SCC(=O)NNc2ccccc2Cl)c1	158285340	VTRJWMDIYDZRSW-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2ccccc2n1	181074312	PZSDQDLXNWKHCT-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)c1cnc2ccccc2n1	191358687	KWTJGDNKTXGBSS-VZUCSPMQSA-N	309.275	3.678	50	20	DHGD	
Cc1nc2ccccc2cc1C(=O)NNc1ccccc1Cl	192472264	KYEPDGUNPAFHKJ-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C\c1ccccc1	205568690	YAOAYSCBRQEZDO-GDNBJRDFSA-N	322.364	3.598	50	20	DHGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1ccccc1Cl	255377912	IKFWPHZYRXQRBK-FLIBITNWSA-N	318.163	3.934	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C\c1ccc2[nH]ccc2c1	492731494	DQXDJIDTPGSZOK-VURMDHGXSA-N	309.344	3.772	50	20	DHGD	
CCS[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(F)cc1	588431097	QRLNXQAQRMSSSZ-ROCUKZSVSA-N	318.417	3.523	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(C2CC2)C2CC2)cc1	742819714	CYNIUPLQIAZVRX-BOPFTXTBSA-N	324.424	3.545	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(F)cc2F)CCc2ccccc2C1	743336905	QHWHZPGTIAASQA-GOSISDBHSA-N	316.351	3.603	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2ccc(Cl)cc2)c(C)c1	743761349	BIHJYMRHKSLNPL-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753297279	IYBZJOOQHONDGY-GFCCVEGCSA-N	313.788	3.767	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(C#N)s1	762449543	OYTNKUBWAOBUJT-UHFFFAOYSA-N	319.389	3.927	50	20	DHGD	
CCC[C@H](C(=O)NNC(=O)c1cccc2ccccc12)C(C)C	763583168	RJLPRVCKHKWGFX-HNNXBMFYSA-N	312.413	3.673	50	20	DHGD	
Cc1nc(CC(C)C)c(NC(=O)NNc2ccccc2F)s1	770065348	DVCDQVSHHJYGFO-UHFFFAOYSA-N	322.409	3.938	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NNc2c(F)cccc2Cl)c1	770197920	RLYKEHSUGODVMX-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccsc1Cl	790162275	UQOOGVVBIRGJSF-UHFFFAOYSA-N	317.801	3.507	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)c1nc(-c2ccccc2)no1	794872639	KVIJZEHCXSITLJ-GXDHUFHOSA-N	305.341	3.578	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc2occc2c1)c1ccccc1	794908726	IUFYXAWRBLINBZ-UHFFFAOYSA-N	306.365	3.861	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1OCC1CC1)C1CCCC1	797402305	XIVRWTGTTUOFMS-UHFFFAOYSA-N	320.820	3.769	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cnn(CCCl)c2)s1	797405829	JFWPCKGRWHNDMD-WUXMJOGZSA-N	320.849	3.940	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)cc1C	809160474	QNFQQUXCWWOPJE-MLPAPPSSSA-N	311.362	3.853	50	20	DHGD	
CC[C@H](C)CONC(=O)NNc1cc(Cl)cc(Cl)c1	813825406	WLXMETNPBMFQQP-QMMMGPOBSA-N	306.193	3.597	50	20	DHGD	
CSCCC=NNC(=O)Nc1ccc(Cl)cc1Cl	814996346	XKPHDTQCMPLRPZ-UHFFFAOYSA-N	306.218	3.854	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@H]1CC[C@H](C(C)C)CC1	816338532	NNBWCIMAVCRNAZ-JOCQHMNTSA-N	308.397	3.740	50	20	DHGD	
Cn1c(NNC(=O)CC/C=C/c2ccccc2)nc2ccccc21	816577799	ANUYTFAOFANQEW-VZUCSPMQSA-N	320.396	3.510	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cccc(Cl)c1Cl	817005001	ZYFCYFZGWHOVAW-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@@H](C)c2ccc(F)cc2)cc1	817911394	QHNGMWSHGFOPOE-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
Cc1cc(N2CCCC[C@H]2C)ccc1NC(=O)NN(C)C1CC1	824233932	QGXDICRAKAWTTC-CQSZACIVSA-N	316.449	3.505	50	20	DHGD	
CC(C(=O)NNc1ccc(OC(F)(F)F)cc1)=C1CCC1	827515863	HSYSOBLWUOVELL-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc(C(F)(F)F)n1	831243808	XEUHYWPFTUQCFM-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)nn1C(C)(C)C	837056259	WJDRQJIIJKMTMO-UHFFFAOYSA-N	314.433	3.827	50	20	DHGD	
O=C(CCc1cccc(C(F)(F)F)c1)NCC(Cl)Cl	837646773	SJLPDKRLIMQYPH-UHFFFAOYSA-N	314.134	3.558	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCc1cscn1	844344856	KLFPUJYEFHVOOG-UHFFFAOYSA-N	300.544	3.639	50	20	DHGD	
COCC(C)(C)C(=O)NNc1ccccc1Oc1ccccc1	846460733	FRODORTYAFVCOV-UHFFFAOYSA-N	314.385	3.595	50	20	DHGD	
Cc1nccc(N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	853896852	MMZABYLQMDLLMS-AWEZNQCLSA-N	307.514	3.776	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856094416	ILYJNILKZPQSOF-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
COc1cccc2cc(CNC[C@@]3(C)C[C@@H]3Br)oc12	856807391	NWDIKTYFGBWPGA-DZGCQCFKSA-N	324.218	3.705	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc3ccccc3c2)C[C@@H]1Br	857405176	PRWPRCAXSFPQLX-GOEBONIOSA-N	318.214	3.743	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCCC(F)(F)CC1	859537259	XBJKQKJXQAZRDJ-MKMNVTDBSA-N	307.300	3.580	50	20	DHGD	
Cc1ccsc1C=NNC(=O)Cc1ccc2ccccc2c1	915976598	OHJWVRWZPFSIHU-UHFFFAOYSA-N	308.406	3.903	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccc(F)cc3)cc2C1	916356527	GLKHRKNIKQAHDF-NSHDSACASA-N	316.401	3.776	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1csc2ccccc12	920375915	ISKCMZDAFFJOEK-UHFFFAOYSA-N	324.405	3.603	50	20	DHGD	
CCc1ccc2nc([C@H]3CC[C@H](Br)C3)nc(O)c2c1	1116796988	LMONHOXTMIORKP-QWRGUYRKSA-N	321.218	3.929	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(O)c(C)c1	1326231687	QVGMMWWQFFBZTH-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	1337198387	OVUNJRPCSUYGNX-SECBINFHSA-N	317.216	3.642	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNC(=O)c1cccc(Cl)c1	1339064361	BLKZRHWOOIEVTJ-LBPRGKRZSA-N	322.836	3.708	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ncc(Cl)s1	1344360188	OMSAOMGUEOHXKD-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)o1	1777477210	JMKAMTOPHYXNOQ-LSHNQJRFSA-N	313.334	3.537	50	20	DHGD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(CCCl)cc1	20190871	UGCYSUFSKIHYCB-UHFFFAOYSA-N	323.845	3.683	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1cc(-c2ccccc2)on1	92765591	ARHYVDZWEUDXOF-UHFFFAOYSA-N	312.304	3.629	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)Nc1cccc(F)c1	102437945	XGMQAUVITWFBQQ-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
Cc1cccc(NNC(=O)c2sc(C)cc2OC(F)F)c1	114537161	CLTQWHUGVMTCFZ-UHFFFAOYSA-N	312.341	3.723	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cnc(C(C)C)s1	123474673	VALKAPPMTAMINH-UKTHLTGXSA-N	305.447	3.870	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccccc1F	152840104	YBYRZPJMKTZHRB-CQSZACIVSA-N	322.767	3.780	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCc2sccc21	155496067	ASOPICRKJJCRDW-NSHDSACASA-N	308.353	3.590	50	20	DHGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1ccc(F)cc1	158649562	IEERHAZVHCSSFM-VZUCSPMQSA-N	302.255	3.650	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	182988293	QICCSNGVXWTVFM-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc2ccccc2c1	193792700	JUJOECYLUGDBOV-UYRXBGFRSA-N	322.408	3.678	50	20	DHGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1	215877129	FMXCMXFZWOCASF-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1ccc(F)cc1	257354048	VKMRMHXKYSEDFI-UHFFFAOYSA-N	322.339	3.508	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OC(F)F	263657971	ITQWBUHVSBRWJL-CAXXOGMASA-N	324.283	3.718	50	20	DHGD	
CSCCc1ccc(NC(=O)NCCSSC)cc1	284863849	PHANDZOQMWMZHI-UHFFFAOYSA-N	316.517	3.725	50	20	DHGD	
CN(Cc1cccc(F)c1)C(=O)/C(C#N)=C/c1ccc(F)cc1	490842277	KZHZBTRULBUSRV-OQLLNIDSSA-N	312.319	3.530	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CSc2ccccc21	490977155	SJJDWZPCBQBGHZ-RCBBPTIPSA-N	324.380	3.696	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C	491102342	HNOZZDIMFSDZQX-VOMSXAGXSA-N	306.793	3.597	50	20	DHGD	
CC1=CC(=NNC(=O)COc2ccc3ccccc3c2)CCC1	727255340	IJFGEGFQDKHOTC-UHFFFAOYSA-N	308.381	3.821	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(C)c(C)c1O	728155267	IRENFXAFSXQOJU-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1scnc1Cl	728717145	VMTJJIISZSVEOP-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	733947651	BXCFEYXPYGZMFD-ZDUSSCGKSA-N	305.378	3.644	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cc(F)c(F)cc1F	734552046	JONXHTOFRWAWRU-NXEZZACHSA-N	300.324	3.763	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC(c2ccccc2C)C1	743441733	MYGNBVKWDHLVEK-UHFFFAOYSA-N	308.381	3.667	50	20	DHGD	
CCc1nc(C)c(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)s1	747635066	UEEDDAUYFPVVLA-UHFFFAOYSA-N	320.370	3.758	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	752809998	KKMHNMGMZMDXAS-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)/C=C(/C)C1CC1	753184823	NFXWSYMQTZKNLD-NTMALXAHSA-N	323.234	3.811	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	753683554	UTCUHRFWVWXUNW-POHAHGRESA-N	315.678	3.995	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)c1cccc(Cl)c1	755407164	URDFZFXWZVJYEQ-WUXMJOGZSA-N	301.704	3.975	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C)cc1Cl	755761625	OGHGEIQOOKMLCM-UHFFFAOYSA-N	321.716	3.784	50	20	DHGD	
CC[C@@H]1CC[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)O1	756906862	BIHXTSAFTYQOCX-MSOLQXFVSA-N	310.397	3.814	50	20	DHGD	
Cc1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1C#N	766434357	XNVGPRYDMCPGOL-UHFFFAOYSA-N	321.424	3.533	50	20	DHGD	
Cc1cccc(Cl)c1NC(=O)NNc1nccnc1C(C)C	770739675	KZNOPJMVJPJKHT-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1cc(Cl)ccn1	778449316	HOXVQYMBSKGYCO-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
CC[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)c(OC)c1	789085256	DSHMDSHCQLZGNM-GWCFXTLKSA-N	311.813	3.553	50	20	DHGD	
O=C(NCc1cccs1)NNc1cc(Cl)cc(Cl)c1	790096580	GPRVPTKCMIVFQJ-UHFFFAOYSA-N	316.213	3.881	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](Cc2ccccc2)[C@H]1C	790894940	LRXNPEPVDCNMQM-HIFRSBDPSA-N	324.515	3.660	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccc(C)s1	794781132	FWVBAFKGEQIXCN-UHFFFAOYSA-N	322.817	3.873	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc3occc3c2)c(C)c1	794877742	BIMGCDHLLOUJDS-UHFFFAOYSA-N	321.380	3.612	50	20	DHGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)C1CCOCC1	798187874	ULBOONLHVDNANP-CQSZACIVSA-N	311.853	3.599	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	803055290	XZRDIVRVGOWLDM-IACUBPJLSA-N	307.825	3.785	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C1CCC(C)(C)CC1	805373521	RWFIFGSWQUVMTR-UHFFFAOYSA-N	305.378	3.563	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1ccc(F)c2ccccc12	806554031	IAOWIPIQKBPUNM-OWRWYXLESA-N	312.344	3.600	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc2[nH]ccc2c1)c1ccccc1	811642165	HBKYSLWOHOGCED-UHFFFAOYSA-N	305.381	3.596	50	20	DHGD	
C[C@@H]1SCCC1=NNC(=O)c1cc2c(s1)CCCCC2	814767130	CISFTGKXJYPKAN-JTQLQIEISA-N	308.472	3.628	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCCC23CCCC3)cc1	814814226	CFKNPBSHMPSVJB-UHFFFAOYSA-N	314.429	3.844	50	20	DHGD	
O=C(NN=Cc1cccc2cc[nH]c12)c1ccc(Cl)cc1F	814862021	ARZVBKCJSMJCPY-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
CC[C@@H](C=NNC(=O)Nc1ccc(OC)cc1)c1ccccc1	814997613	WUOHUFKKGXLTBW-AWEZNQCLSA-N	311.385	3.996	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccnc(F)c1)c1ccc(Cl)cc1	831919402	YQWYHTJPGYDAKK-CQSZACIVSA-N	321.783	3.901	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H](c1cccnc1)C(C)C	836937136	VMHRGCWFPGBSKR-HNNXBMFYSA-N	317.820	3.926	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856812320	UHNBNWKSUGXPET-SMDDNHRTSA-N	311.223	3.598	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@H]1C	861791145	BSLIRCFXLXMVCP-NYTXWWLZSA-N	304.434	3.621	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cn(C)nc2C2CC2)ccc1[N+](=O)[O-]	899366647	OZXXGRDKPOMLOH-ZSOIEALJSA-N	308.341	3.578	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)c1ccc(C(=O)O)cc1	1776099550	MPUKDUBAZWANNL-UHFFFAOYSA-N	324.380	3.513	50	20	DHGD	
COc1cc(C(=O)NN=C2CCC(C)CC2)ccc1OC(C)C	6687207	NHECXJBCOSBIJV-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3)[nH]c12	44550285	UYPAZIMXACNKIU-LCYFTJDESA-N	304.309	3.844	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)c(C)c1	127206661	XAGGTHOVWVOQAG-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	131715888	OBWQESFGOGYZOQ-CYBMUJFWSA-N	323.318	3.737	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NOC(C)(C)C)c(C)n1CC(C)C	156090332	ICIXNDNZXBGJKW-SXGWCWSVSA-N	317.433	3.514	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccccc1Cl)c1nc(C)cs1	171719865	OVQBNQUNOZNAFL-LLVKDONJSA-N	324.837	3.882	50	20	DHGD	
CC(C)(C)CC(=O)NNc1c(F)cc(F)cc1Br	174178196	DUYHIZIOKIDIMF-UHFFFAOYSA-N	321.165	3.607	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(C)n(C(C)C)c1C	184305163	VYWFAVXVYWEGTK-UHFFFAOYSA-N	303.381	3.890	50	20	DHGD	
CCc1sc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1C	269615699	QEFJKITWZSDABG-UHFFFAOYSA-N	319.386	3.592	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cn1	588578298	AQHMUEITKGFUGE-YBEGLDIGSA-N	322.368	3.899	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)c1cccc2ncccc12	730146220	KWVUMLPPEQKHIA-UHFFFAOYSA-N	317.392	3.973	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)C(C)(C)c1ccccc1	731151346	WVDSUSQDUPPRFY-UHFFFAOYSA-N	300.427	3.761	50	20	DHGD	
C[C@H](CCNC(=O)NNc1c(F)cccc1F)c1ccccc1	735754772	BRPYJQLJKNKCCP-GFCCVEGCSA-N	319.355	3.785	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNC(=O)c1cccnc1	742465174	HMEGKFOXXNMONN-GOSISDBHSA-N	319.449	3.619	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1ccc(OC)cc1	746885581	AGRPNAHANLOGSZ-COXVUDFISA-N	320.433	3.512	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1F)c1cc2ccccc2o1	753709618	OITGMMPUDJOATF-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
Cc1cccc(OCC(=O)NN=CC[C@@H](C)c2ccccc2)c1	755498612	JZHGLGXYRNHGOK-MRXNPFEDSA-N	310.397	3.670	50	20	DHGD	
CC(CC1CC1)=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	756821617	XGKFLMUADYLXPN-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCCC[C@H]2C(C)C)c1	764666257	KCUFPXNWDTWJQF-INIZCTEOSA-N	318.417	3.636	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	769567675	TUVNMWIERUHSKL-NWDGAFQWSA-N	303.362	3.527	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)OC[C@@H](C)CBr	770359775	QIIZVYWICPPFMK-QWRGUYRKSA-N	317.198	3.579	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccccc2)C[C@H]1OCc1ccccc1	776758066	GLWGWQRLZPCKDC-GOSISDBHSA-N	322.408	3.788	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F	783508559	YGZPAXHRANSEFH-SECBINFHSA-N	302.271	3.664	50	20	DHGD	
Cc1cc(C)c(C(=O)COC(=O)/C(C#N)=C/C2CC2)c(C)c1C	786672764	BQQURYKMFXCXLA-LZYBPNLTSA-N	311.381	3.506	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CC[C@@H](c2cccc(F)c2)C1	793474170	JSVGONQTAXWKGJ-PBHICJAKSA-N	313.376	3.788	50	20	DHGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NCC(Cl)Cl)c2c1	808131049	FVFSLKZVKVMTIR-UHFFFAOYSA-N	323.223	3.954	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811627785	GYTNQYIMYXZDRE-POHAHGRESA-N	316.348	3.980	50	20	DHGD	
O=C(NCc1ccco1)NN=Cc1ccc(C2CCCC2)cc1	812227181	TYXVCNWSSNVLQD-UHFFFAOYSA-N	311.385	3.771	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1c(C)noc1C	812767033	BGHWZAQFPZCZPZ-UHFFFAOYSA-N	315.417	3.799	50	20	DHGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1cccc2ccccc12	814854743	WCTYEDYIUIPKRP-UHFFFAOYSA-N	324.380	3.591	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)CSc1ccccc1O	814970965	LCAYEHQNUDHWQT-CHWSQXEVSA-N	320.458	3.803	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)c1cc2c(s1)CCC2	829734251	VGVFLINCKUIWGY-UHFFFAOYSA-N	322.474	3.748	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCCCO2	834448136	WWKZKVLDNRTJHE-IZZDOVSWSA-N	323.751	3.725	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1Cl)C(=O)OC1CCCCC1	840734714	KBYQDEIADJWXAH-FMIVXFBMSA-N	305.761	3.828	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2ccnn2CC2CC2)ccc1[N+](=O)[O-]	849249444	IHWUAMDECYRJDG-OQLLNIDSSA-N	308.341	3.574	50	20	DHGD	
Cc1ccnc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1C#N	853897643	NXNJEZSUKZINBX-AWEZNQCLSA-N	317.509	3.862	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccccc1CN	904635516	ZUXLFOMZLUEWHQ-UHFFFAOYSA-N	312.417	3.726	50	20	DHGD	
Cc1cc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)co1	912582089	LDRNTPKGWSJHQJ-CQSZACIVSA-N	309.482	3.824	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CSCc3ccccc32)cc1	915948672	YKEBDFFIEHUWRB-UHFFFAOYSA-N	310.422	3.630	50	20	DHGD	
CC(C)c1nn(C)c(Cl)c1/C=C(\C#N)C(=O)c1ccccc1	915981146	JWXMOBPIIWKHHU-UKTHLTGXSA-N	313.788	3.987	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCC2(c3ccccc3)CC2)c(C)c1	916234558	JNNMIFZZUQQNSZ-UHFFFAOYSA-N	323.440	3.970	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	920991325	RCPDBYZAZOJPOU-GHRIWEEISA-N	316.360	3.553	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2csc(C(C)C)n2)cc1	1251189110	VRLGMPUPECHPHD-UHFFFAOYSA-N	301.415	3.593	50	20	DHGD	
Cc1csc([C@H](NC(=O)C2CCC(Cl)CC2)C2CC2)n1	1346540501	RJJLUIMWZCVIKH-WXRRBKDZSA-N	312.866	3.816	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC([C@@H]2CCCCO2)CC1	1348872511	LCYKXRPCQFDNLT-GPANFISMSA-N	313.869	3.592	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1ccc(F)cc1Cl	91984927	SGCDFESKEXYUOC-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1c(F)cc(F)cc1F	120009583	GEDMEGOUASCSOF-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
CCN(Cc1ccc(OC)cc1)C[C@@H](C)CBr	133640576	KKIARYNWSGUENR-LBPRGKRZSA-N	300.240	3.548	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCCC[C@H]1C(F)(F)F	154333382	AROCUNPOQUDVPV-VXGBXAGGSA-N	304.287	3.638	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cccc(Oc2ccncc2)c1	154560211	LZSDCASQKPVMSO-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
I[C@H]1CCCC[C@@H]1OCC1CCCC1	158496131	KIVWHCQSIPUXQO-RYUDHWBXSA-N	308.203	3.939	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1ccc(F)c(F)c1F	161104107	MJPZPJARLCIKHC-UHFFFAOYSA-N	320.380	3.859	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCOC1	170784988	QSFRHGIAMNSVHN-ZETCQYMHSA-N	323.607	3.517	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1c(F)cccc1F	178396664	LOVIMJVBSHHHOD-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
CCc1ccc(-c2ccc(C(=O)NNc3ccccn3)o2)cc1	181267199	NCEXBZPFWYRNPQ-UHFFFAOYSA-N	307.353	3.661	50	20	DHGD	
CCC1(C(=O)NNC(=O)c2cc3ccccc3o2)CCCCC1	185929502	LQBSDHQJCNZQSK-UHFFFAOYSA-N	314.385	3.554	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	193344373	PWXOMPMHJZKBJX-BUOZRGFLSA-N	320.392	3.951	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1	193377445	GAYXTRDCHPSCAT-RIYZIHGNSA-N	314.747	3.702	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cs1)c1nnc2n1CCCCC2	195222906	DDXBPVMRAFYMCU-UXBLZVDNSA-N	304.806	3.784	50	20	DHGD	
CCCn1c(C)cc(-c2csc(/C(C#N)=C(/C)N)n2)c1C	287259851	QCBXOANMEYOFAS-KAMYIIQDSA-N	300.431	3.852	50	20	DHGD	
O=C(NC[C@H]1CCCCC1(F)F)c1cccc(CCl)c1	390580209	XQVMMGLHWJKAPE-CYBMUJFWSA-N	301.764	3.981	50	20	DHGD	
CN(N=Cc1ccc(CSC(F)F)o1)C(=O)OC(C)(C)C	490809028	PRWCFLUEDCUEGE-UHFFFAOYSA-N	320.361	3.936	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(C(=O)O)c1	490878603	OUDMKVYROAXIOW-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1C	728287809	XIMJRZIQSUWBOK-GZTJUZNOSA-N	307.397	3.979	50	20	DHGD	
CC(=NNC(=O)Cn1ccc2ccccc21)c1sccc1C	733747876	VZNSKMPQLZMDKP-UHFFFAOYSA-N	311.410	3.552	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CCC[C@@H]1Cc1ccccc1	739031413	FYMHZRAWLFNKBU-AEFFLSMTSA-N	309.413	3.724	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1[N+](=O)[O-]	741469104	IGIKUMOPNYEMKY-QPEQYQDCSA-N	319.324	3.547	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cc(Cl)ccc1Br	743428443	XVPDZKYVVAMMAT-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCC2CC2)c1C	744283535	WEDQATLGNOSKSH-BOPFTXTBSA-N	300.402	3.765	50	20	DHGD	
Cn1cc(C(=O)NN=C2C[C@H]3C[C@H]2[C@H]2CCC[C@@H]23)c2ccccc21	744780367	LULFWXPVYVTEJM-NYTXWWLZSA-N	321.424	3.720	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)cc1	747050470	DQERQFFNFHQSCA-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(Cl)cc1Cl)N(CC)CC	748017640	HZRJHPLCJBZJCT-CYBMUJFWSA-N	318.248	3.557	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	748571753	OHSZYLVTOGHVLJ-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H](C)c2ccccc2)cccc1[N+](=O)[O-]	748681756	VANKINOBVWRHFQ-GFCCVEGCSA-N	313.357	3.540	50	20	DHGD	
CC(CCc1cccc(F)c1)=NNC(=O)CCc1ccccc1	749740055	JOSXGSHAWFGUDV-UHFFFAOYSA-N	312.388	3.883	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1cccc(C(F)(F)F)n1	750242042	NCAXCRUCAYYDBK-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCC(=NNC(=O)CNc1cccc(OC)c1)C1CCCCC1	750934643	GKJHSMCZHQWLCA-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c[nH]c(C(=O)OC)c2)cc1	753132688	IMYXZGMHXKPKGL-SXGWCWSVSA-N	322.364	3.544	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1cc(C)ccc1C	768312002	RVMVLNCTMBLTCY-RDJZCZTQSA-N	304.434	3.732	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1C	774560592	MGKRUBBOROHWHJ-OQLLNIDSSA-N	324.336	3.985	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1cnnc2ccccc12	776231645	LEZZZFNBWGABAI-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCc2c(Cl)cccc21	778446982	NDHQCUWZSKTDIC-LBPRGKRZSA-N	322.195	3.562	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)C(C)(C)C1CCCCC1	780739258	YHNPPUYZRBGELG-UHFFFAOYSA-N	318.417	3.523	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)c2c(c1)C[C@@H](C)O2	781554331	MTFDQBDGVFNLET-VJMCZWTHSA-N	311.381	3.685	50	20	DHGD	
C[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	785760091	UXHMEBIMGGMORD-FINCRHPDSA-N	300.377	3.818	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)c1	786055208	CSULIECMXMNWMN-SXGWCWSVSA-N	310.784	3.872	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc(OCC2CC2)cc1	790164516	BWHDCBODJGZRNP-UHFFFAOYSA-N	322.408	3.558	50	20	DHGD	
Cn1c(/C(C#N)=C\c2c[nH]c(C(F)(F)F)c2)nc2ccccc21	806565798	RXKLOLNDWXJWSF-WDZFZDKYSA-N	316.286	3.984	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1cccnc1F	808534213	IBERPLHGYZMMJB-UHFFFAOYSA-N	312.256	3.501	50	20	DHGD	
CCOC(=O)NN=C(C)c1sc(-c2ccccc2F)nc1C	814692480	HTKZTQBBXYIPIC-UHFFFAOYSA-N	321.377	3.728	50	20	DHGD	
COc1ccc(NNC(=O)CCC(C)(C)C)c(C(F)(F)F)c1	816704321	NTBPAQMCLRGVSI-UHFFFAOYSA-N	318.339	3.983	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2c[nH]c3cc(C)ccc23)cc1	817882367	KGTBFBWKILZWTM-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2scnc2C(C)C)cc1F	823694416	OWPFQXOGOZXYIH-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1cccc(Br)n1	837211997	HPBBQFHXURMNPP-ZDUSSCGKSA-N	314.227	3.504	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)[C@H]2CCO[C@@H]2C)c1	842552200	BEFWHIRJTVPNEH-BEFAXECRSA-N	322.408	3.537	50	20	DHGD	
Cc1oncc1CN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844337866	VLLCVIUUIOGZFA-OAHLLOKOSA-N	310.514	3.969	50	20	DHGD	
Cc1cc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nn1C	844338252	ZCLRKTJWHCWFHX-MRXNPFEDSA-N	323.557	3.715	50	20	DHGD	
Cc1noc(C)c1CCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852524625	MREMHXYMDIJFKP-HNNXBMFYSA-N	324.541	3.930	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(O)cc1Cl	865220864	RWNGHLJDSMURRW-OGGBREFQSA-N	307.777	3.966	50	20	DHGD	
CN(c1ccccc1)c1ccc(C=NNC(=O)C(C)(C)C)cc1	915966790	SBIWHURSFVXHAC-UHFFFAOYSA-N	309.413	3.951	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1cccc(F)c1	916244451	XQFHRTYGTPBAGS-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cccs1	916273936	WKUNFUNDIXSZTB-UHFFFAOYSA-N	310.831	3.644	50	20	DHGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1ccccc1O	917531757	CRXAGTCWAYCALE-UHFFFAOYSA-N	316.360	3.823	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)o1)NC1CCCCC1	917534226	VXWHIDQIJPZBST-UHFFFAOYSA-N	311.385	3.912	50	20	DHGD	
CCC1CC(=O)C(=CNc2ccc(SC#N)cc2C)C(=O)C1	920978955	XHDAXFZYPRCZLT-UHFFFAOYSA-N	314.410	3.822	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(Cl)cc2C)n1	928340115	MXVSOWZRJXHJFV-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccn2C2CC2)c(C)c1	1325239330	LBTLIMVZRNQUGB-PTNGSMBKSA-N	305.381	3.986	50	20	DHGD	
C[C@@H](NC(=O)c1cccc(CCl)c1)c1nc(C(C)(C)C)no1	1335799817	JOKJOQGNKBALSM-SNVBAGLBSA-N	321.808	3.597	50	20	DHGD	
O=C(N[C@H](c1ccccc1)[C@H]1CCCO1)C1CCC(Cl)CC1	1346389064	FWBVNVSYMQRSQB-BHUNQDJPSA-N	321.848	3.821	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2ccccc2C)cc1C(=O)O	1597791627	SJCXZFYTHNLXFZ-XYOKQWHBSA-N	309.321	3.639	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1cccc(N2CCCC2)c1	88774522	ACMZHPOCTYMFFT-HNNXBMFYSA-N	324.428	3.674	50	20	DHGD	
CC(C)(C(=O)NNc1ncccc1Cl)c1ccc(Cl)cc1	151832646	RXQQVEDBRKBUCU-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCCCF)c(C)n1CCC(C)C	154446807	DIHCZXSKVPZAKN-BOPFTXTBSA-N	319.424	3.534	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccncc1Cl)c1ccccc1F	154479548	FKXNIEBPQVGMSC-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1ccc(F)cc1	176002395	WOMBBGNIFJOWKO-AWEZNQCLSA-N	322.767	3.780	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)NNc2cccc(F)c2)c1	178924071	OGDGORLFTWSKED-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccc2[nH]ccc2c1	184387785	RQFCCODVLJINKM-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
CCOC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)C	190964971	RRQIAUZBUFBRGM-ZIAGYGMSSA-N	319.536	3.878	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1cccc(F)c1	194531961	JUGMTIHVBFPDBG-LFIBNONCSA-N	305.308	3.628	50	20	DHGD	
N#C/C(=C/c1cnc2ccccn12)C(=O)c1ccc(Cl)s1	588425901	UMAGEGHHIWVKRC-YFHOEESVSA-N	313.769	3.839	50	20	DHGD	
CCN(Cc1ccccc1)C(=O)/C(C#N)=C/c1ccc(F)cc1	588429160	HXCNFVQYIGHGIG-SFQUDFHCSA-N	308.356	3.781	50	20	DHGD	
CS[C@@H]1CC[C@@H](N(C)C[C@@H](CBr)C2CC2)C1	701863324	WSMZYESQXXGYKI-JHJVBQTASA-N	306.313	3.623	50	20	DHGD	
CCC(C=NNC(=O)c1cc(F)ccc1Br)CC	728435931	IUTZCNBPIYFRBQ-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(CC)CC)c1C	729433811	WIGZFJYBINZEFP-WOJGMQOQSA-N	315.461	3.974	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)c2ccncc2)c1	729631018	DCWSOYOPKHUZKZ-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)Cc1c[nH]c2ccccc12	729636432	IOXGIFACOWKYMX-UHFFFAOYSA-N	317.458	3.734	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1sccc1C1CC1	733758377	UEGZYEYHCVVQER-UHFFFAOYSA-N	319.338	3.762	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H](C)C(C)(C)C)ccc1Br	734550325	KMZLLFDOUHJCNE-SNVBAGLBSA-N	313.239	3.883	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C	746895829	KAOMUIQQIDJGGU-VIFPVBQESA-N	313.323	3.702	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2F)oc2c(F)cccc12	748049227	FWHCZYXOHJZRID-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@]1(C)CCc2ccccc2C1	748548633	DIURSPDDRVGTPA-IBGZPJMESA-N	312.388	3.772	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1ccc(C(F)(F)F)nn1	752659779	DNWGVVNHVXZQHV-JTQLQIEISA-N	318.343	3.545	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccccc2)c(Br)c1	753690262	DXUHUDAATKYVFH-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(F)cc2F)cc1	754056780	YCLBODBENPHQMW-NVNXTCNLSA-N	313.303	3.924	50	20	DHGD	
C=C[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	757013748	UZOWOXPTFGOSBO-XWAFYUISSA-N	313.445	3.749	50	20	DHGD	
CC(C)(C(=O)NN=c1cc[nH]c2ccccc12)C1CCCCC1	767145343	PNQDQZOUTHQVAH-UHFFFAOYSA-N	311.429	3.706	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H](F)c1ccccc1	769294903	SCQIVINTVIXCDL-OAHLLOKOSA-N	303.289	3.828	50	20	DHGD	
C#C[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	772976792	RPENDXGKZQDGHR-QCUKBLKESA-N	323.440	3.655	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc(O)c(Cl)c1	774386812	HJLLDXXJNCBZRN-UHFFFAOYSA-N	322.714	3.884	50	20	DHGD	
CC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCCCC1	780952114	OLOWBYTUSFTPGD-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)s1	787146652	AMTUKIOTOCKFQN-CJAAZZPWSA-N	312.394	3.547	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(C#N)c1)c1c[nH]c2ccccc12	787458529	NWKSWJGUOHZGTM-ZDUSSCGKSA-N	318.380	3.676	50	20	DHGD	
CCCNC(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788999773	AKULXTIFNUYQBZ-UHFFFAOYSA-N	322.821	3.507	50	20	DHGD	
C=CCSCCNC(=O)NNc1cc(Cl)cc(Cl)c1	790263722	PBAXFFLEGHRYSR-UHFFFAOYSA-N	320.245	3.539	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](Cc2ccccc2)[C@H]1C	790894943	LRXNPEPVDCNMQM-UKRRQHHQSA-N	324.515	3.660	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)c1cccc(Cl)c1	794871060	DPSNKKKHICULAB-CQSZACIVSA-N	313.788	3.789	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)C1CCOCC1	794957525	FKYHBAFPIRQYDV-WQLSENKSSA-N	310.180	3.896	50	20	DHGD	
CCCN(N=Cc1cc(F)c(O)c(F)c1)C(=O)OC(C)(C)C	794992571	DLTWITUMUDXARV-UHFFFAOYSA-N	314.332	3.651	50	20	DHGD	
CC1=C(Br)CN(/C(=C/C#N)c2ccccc2)CC1	797527635	QUJTZTBOEJRDDJ-VIZOYTHASA-N	303.203	3.926	50	20	DHGD	
CSc1ccc([C@@H](C)NC(=O)NNc2ccccc2)cc1	798528305	KGUDAGXCNZSWOV-GFCCVEGCSA-N	301.415	3.796	50	20	DHGD	
CC(/C=C(/C#N)S(C)(=O)=O)=C\c1ccccc1C(F)(F)F	799890699	VFCONFWFCQFFDU-NFZZJPOKSA-N	315.316	3.561	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc3ccccn23)cc1C	809160327	MTFBPKSTZIBBTI-YBEGLDIGSA-N	301.349	3.741	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCCCC1	826998618	HLTAEJJIPVACKF-UHFFFAOYSA-N	303.362	3.565	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc2ccccc2n1	827884048	XGLZZCZKWCDJSO-SNVBAGLBSA-N	311.307	3.657	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCCc2cccnc2)cc1	831900353	UMFHLINLHIMOMA-UHFFFAOYSA-N	311.429	3.845	50	20	DHGD	
Cc1ccc(NNC(=O)c2noc3c2CCCCC3)c(Cl)c1	836937954	SDJINEYTUJUWKE-UHFFFAOYSA-N	319.792	3.662	50	20	DHGD	
COc1cc(C)sc1C(=O)NNc1ccc(C(C)C)cc1	837054476	QULZODVIUFQABH-UHFFFAOYSA-N	304.415	3.945	50	20	DHGD	
CCc1nc(CC(=O)NNc2ccc(C(C)C)cc2)cs1	837055831	NCZIGTPTWAXZBO-UHFFFAOYSA-N	303.431	3.515	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(C(C)C)nc1C	855370325	VGZWGXXIVJQBSL-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
BrC[C@@H](CN1CCC[C@H]1c1ccccn1)C1CC1	859160393	IEIKLHPNBOXLMW-ZFWWWQNUSA-N	309.251	3.640	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OCc2ccccc2)cc1)C1CC1	862519094	RQYWTMFEOIMICF-AWEZNQCLSA-N	310.397	3.755	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1csc(C(F)(F)F)c1	863087264	ZCEWVNYTHVLNKN-UHFFFAOYSA-N	304.337	3.797	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cccc(OCc2ccccc2)c1	915977415	UGERSPYYKUQTLO-HNNXBMFYSA-N	310.397	3.762	50	20	DHGD	
O=C(CCN1CCCCCC1)NN=Cc1cccc2ccccc12	916355561	MBMDKXPBQMVEBH-UHFFFAOYSA-N	323.440	3.556	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)C)c1C	919872885	QOYJPYGQSIZFKY-GZTJUZNOSA-N	315.461	3.974	50	20	DHGD	
N#CC(C#N)=CNc1nc2c(s1)C[C@H](c1ccccc1)CC2	921298721	LWDYIBLUAPVAIM-CQSZACIVSA-N	306.394	3.759	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCCc2cccnc21	928336763	BTSKDPUFECOTHS-AWEZNQCLSA-N	315.804	3.607	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)cc1Cl	1262353918	QWVRUIPYUYXPJQ-WFASDCNBSA-N	310.825	3.543	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3ccc(F)cc3)ccc2c1	1337253068	FTXVFHWUCJADEY-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)[C@@H](C)C(C)(C)C	1589552481	GAMMPTKFHYWTGJ-VHSXEESVSA-N	323.345	3.517	50	20	DHGD	
CC(=C\c1ccccc1)/C=C(\C#N)C(=O)NCc1ccccc1	7156838	ZGDBXZSMDDKJEA-BLAZZTHISA-N	302.377	3.856	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1ccncc1Cl	132811300	XTCQLQIUPQYUEW-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
Cc1nc(Cl)ccc1C(=O)NNc1cccc2c1CCCC2	152933088	IJEPIPNUVSUDAR-UHFFFAOYSA-N	315.804	3.679	50	20	DHGD	
Cc1ccccc1[C@H](NS(=O)(=O)CCCCCl)C(C)C	154186093	HPBVRCAQLBPLPP-OAHLLOKOSA-N	317.882	3.631	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCOC1	170784987	QSFRHGIAMNSVHN-SSDOTTSWSA-N	323.607	3.517	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc2ncsc2c1	179747530	JDJZRDIMJLPLLC-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
CC(C)CCOc1ccc(NC(=O)NNc2ccccn2)cc1	180538969	POSFDCBIPSOCEB-UHFFFAOYSA-N	314.389	3.655	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccccc1Cc1ccccc1	183062255	OVIFHXPETJHVRU-UHFFFAOYSA-N	318.380	3.821	50	20	DHGD	
CCCc1csc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)n1	183862860	RKKYLWDONXOIRH-WQLSENKSSA-N	315.373	3.780	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1ccccc1OC(F)(F)F	190205128	KJXMGOIYYCRSGK-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1c1ccc(COC)o1	279761572	RLFBFLNNYPCZLV-ZDUSSCGKSA-N	314.223	3.514	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(C)nc1)c1ccccc1	490692692	HOBNAABWNUNPEC-UWKDKTGGSA-N	305.381	3.565	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1c(Cl)cnn1C	588534462	AWWJSEHMSDDFLI-XFFZJAGNSA-N	324.771	3.653	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)c2cnc3ccccc3n2)c1C	588581019	YXJBVHYQRFAOLK-GDNBJRDFSA-N	317.396	3.917	50	20	DHGD	
CCCCC(COC)=NNC(=O)c1cc2c(s1)CCCCC2	737428045	USYOFPFAGPAOLJ-UHFFFAOYSA-N	322.474	3.939	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1cnc2ccsc2c1	739401143	YQIDDMKMDGGFTM-UHFFFAOYSA-N	313.357	3.589	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1cc2ccccc2o1	747059762	XJNGKBMCDRIUGY-UHFFFAOYSA-N	322.364	3.742	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@H]2C(C)C)cc1	747753571	JEQLYCPTPFVEAF-INIZCTEOSA-N	302.418	3.556	50	20	DHGD	
C=CCOCC(=O)Nc1c(CC)cc(SC#N)cc1CC	748669182	CWFIPPQTHAFVSP-UHFFFAOYSA-N	304.415	3.526	50	20	DHGD	
C#CCCCCC(=O)NNc1ccc(Br)cc1CC	753172028	BHTZNEGFXPPIGS-UHFFFAOYSA-N	323.234	3.648	50	20	DHGD	
CC[C@@H]1CCCC1=NNC(=O)c1cccc(Br)c1	758378930	SJYRJEJBEUUJLE-SNVBAGLBSA-N	309.207	3.745	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCC[C@@H]1C(C)C	764657800	FRHLSFNZGZIJJS-CQSZACIVSA-N	312.417	3.575	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	765996239	UXCKOXDEWQTOIN-RBSFLKMASA-N	324.428	3.679	50	20	DHGD	
CC1(c2ccccc2)CCC(=NNC(=O)c2ccc(N)cc2)CC1	766677901	GSXUEMANKJFHRV-UHFFFAOYSA-N	321.424	3.887	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2CCC[C@H](C)C2)cc1	768359153	AKUIHHAFRIVGAP-GOEBONIOSA-N	302.418	3.556	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)COc1cccc(C(C)C)c1	771706293	GCCPLYLVVXXYSA-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3ccc(Cl)nc3)c2cc1C	771736880	NWYIQLRBESWPHQ-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)OC(C)(C)C	785450858	JDFPPAYQEGXTKT-UHFFFAOYSA-N	302.296	3.872	50	20	DHGD	
Cc1ccc(-c2cnc(COC(=O)/C(C#N)=C\C3CC3)o2)cc1	786680570	LAQVMTORRUNSIT-NVNXTCNLSA-N	308.337	3.553	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	787371779	XPUFGUZNDQJIOA-JFBHYCPVSA-N	312.413	3.632	50	20	DHGD	
O=C(Cc1cccc(C(F)F)c1)NNc1c(F)cccc1F	790744522	BAIZMJUJZOWXFL-UHFFFAOYSA-N	312.266	3.588	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)[C@H]3CCCOC3)co2)cc1	794955031	YJFLLZKDDVHTIK-WNLSXJKCSA-N	322.364	3.553	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C(C)(C)c1ccccn1	794955598	XFURSHHMSRVUOP-UHFFFAOYSA-N	311.429	3.934	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)Cc1cccs1	799543705	TYUWSAPUYYIDGU-CYBMUJFWSA-N	317.458	3.876	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1cc2c(Cl)cccc2s1	804771529	BNYQPNDAXSFHKB-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H](Oc1ccccc1)c1ccccc1	808129368	RDOFGGUJCWHZLA-HNNXBMFYSA-N	324.207	3.727	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccnc(SC(C)(C)C)c1	808249098	YSPUNSYDZVLLIV-UHFFFAOYSA-N	321.273	3.848	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)CSc2nc3ccccc3s2)C1	814723480	GOOZUILTAYERGE-JTQLQIEISA-N	319.455	3.681	50	20	DHGD	
Cc1[nH]c2c(C(=O)NNc3cccc(Cl)n3)cccc2c1C	817007565	HLDBIVHOLYISRA-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCC[C@@H](O)c2ccccc2)c1	830791741	MOCZOPXHGRPHLI-GOSISDBHSA-N	312.413	3.650	50	20	DHGD	
CC1(C)CCC[C@@H]1N(Cc1ccccc1)S(=O)(=O)CCl	830803941	SFXGUBKTCQZAQE-AWEZNQCLSA-N	315.866	3.593	50	20	DHGD	
CCC(=NNC(=O)c1ccc(CN(CC)CC)o1)[C@@H]1CC1(C)C	841622377	RKHVNOKQYRZHMP-AWEZNQCLSA-N	319.449	3.663	50	20	DHGD	
COC1(C(F)(F)F)CCN(/C(=C\C#N)c2ccccc2)CC1	842160566	KMYSLIWOWLBBFP-AUWJEWJLSA-N	310.319	3.594	50	20	DHGD	
CSCC1(CC(=O)NNc2ccc(C(F)(F)F)cc2)CC1	845856269	CEUSKZRWLDNLNW-UHFFFAOYSA-N	318.364	3.682	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	845856821	SAJOJDPXVQGQCG-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2cncc(Cl)n2)C1	853897483	INWFUFUNDYLGCI-NSHDSACASA-N	313.905	3.731	50	20	DHGD	
CC(=O)[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	854726395	NOAPTXVJXRQLAX-ZIAGYGMSSA-N	315.504	3.671	50	20	DHGD	
Cc1c([C@H](C)NC[C@@]2(C)C[C@@H]2Br)cnn1C(C)C	857082426	NROZVOYYNPEMMP-LEWSCRJBSA-N	314.271	3.597	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NC[C@]2(C)C[C@H]2Br)cc1	857393482	LFCOVNHHUUHHLG-CJNGLKHVSA-N	324.262	3.562	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cnsc1	861204632	MAZFFUQDOQPWEL-LLVKDONJSA-N	303.474	3.900	50	20	DHGD	
Cc1ccc([C@@H](C)C=NNC(=O)CCc2ccccc2O)cc1	863092289	NPZVIUQDKSVMBT-HNNXBMFYSA-N	310.397	3.539	50	20	DHGD	
C=CC(C)(C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	879252546	TWQVCIWFWGGBRS-UHFFFAOYSA-N	316.323	3.673	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Cl)nc1F	907095357	YOHSJCCNEURALC-UHFFFAOYSA-N	319.767	3.510	50	20	DHGD	
CCCN(CC)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	914528266	UCDQESVYDDXKTD-WOJGMQOQSA-N	315.461	3.926	50	20	DHGD	
Cc1cc(NNC(=O)NC[C@H](C)c2nccs2)ccc1Cl	921951590	KOLPUMLZVVMPOZ-JTQLQIEISA-N	324.837	3.535	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C[C@@H](C#N)C(C)C)cc1	1319381991	WYUOFKQTPLMDDE-MRXNPFEDSA-N	315.417	3.623	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc2c(c1)COC2	1329967682	SZOFSMYNVYEALD-UHFFFAOYSA-N	314.772	3.524	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)CC(C)(C)C)cc1C(=O)O	1600463039	MGEGAZFEIYOLJU-UHFFFAOYSA-N	306.406	3.599	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045298	QZAWDXSOLSZFNQ-CYBMUJFWSA-N	317.389	3.709	50	20	DHGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccc(F)cc1	57796757	OEARJLGWMRFVMT-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2c(Cl)cccc2Cl)c1	78240269	JGZBASUWLUSUQQ-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NNc2cccc(C)c2)cc1	109427585	JAVBHMIRUGKQOG-UHFFFAOYSA-N	311.429	3.988	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)s2)cc1	114992027	UMKGFRFCUUMIGW-MDWZMJQESA-N	316.813	3.933	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccccc2Cl)cc1	120767184	CPLANPWPPSCOCQ-UHFFFAOYSA-N	316.788	3.755	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Br)c(C)c2)cc1	123568351	MRMRZWBDGKGNKL-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=S(=O)(CCCCCl)N(CC1CCC1)c1ccccc1	154610647	GIRMBFIGMXEDFX-UHFFFAOYSA-N	315.866	3.642	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2cc(C)ccc2C)cc1	159011887	CTOIYWNALGSSHN-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CO[C@@](C)(C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	159437337	NKTVCHRBBZAUNV-LJQANCHMSA-N	312.413	3.617	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(C)cccc1F)c1c(C)noc1C	185606010	DLQXZRVEIJOFJQ-ZDUSSCGKSA-N	320.368	3.516	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	281714332	HZEQWXCFGBKCMO-DZGCQCFKSA-N	316.445	3.642	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1CCC[C@H](OC)C1	281810496	QDIMRPWYVFOFHF-ZBFHGGJFSA-N	304.434	3.596	50	20	DHGD	
CN(N=Cc1ccc(F)c2cccnc12)C(=O)OC(C)(C)C	493510390	JJXQHOCYWUSXNI-UHFFFAOYSA-N	303.337	3.575	50	20	DHGD	
CCCN(N=C(C)c1ccc(OC)c(O)c1)C(=O)OC(C)(C)C	496543125	PYBBNIPJVGSNOW-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CC2)c(C)n1CCC(C)C	726981858	DDBDOHJNRKVDDW-GZTJUZNOSA-N	313.445	3.679	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)CC(C)(C)C)cc1[N+](=O)[O-]	728431497	UZPULDPFHODSIQ-UHFFFAOYSA-N	305.378	3.605	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1sccc1C	733746343	LATVBTSFLZDDBM-LBPRGKRZSA-N	320.389	3.503	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)c2ccc(O)c(Cl)c2)CC1	734093674	PLBYXWPTTNFKTJ-UHFFFAOYSA-N	308.809	3.978	50	20	DHGD	
O=C(NN=C(CC1CC1)c1ccccc1)c1ccc(Cl)nc1	735972348	YGUPCLGQZAEBAS-UHFFFAOYSA-N	313.788	3.669	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc3ccccc23)[C@@H]2CCCO[C@@H]21	743441679	MCGODHBEQVIWPO-WMZOPIPTSA-N	322.408	3.761	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	745390188	DOMLMQXPZUXYQJ-JHJVBQTASA-N	322.840	3.720	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	745874703	COTKXXBAHMAABO-IJLUTSLNSA-N	309.360	3.560	50	20	DHGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNc1ccccc1F	748056706	NSJIVQPHZHTAHH-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
CC(C)CC1(C(=O)NNc2oc(C(C)C)nc2C#N)CCCC1	755255601	QAODUYJNNTZZDL-UHFFFAOYSA-N	318.421	3.719	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)C2CCC2)c1C	756097507	LMPVVHMJMFBUTA-DZBQEORWSA-N	313.445	3.727	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@](C)(CC)C2)cc1	758665725	POENKXJZXQWLGF-UIRWJGRMSA-N	312.413	3.641	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1	761573979	URXNEHLCNRGUEB-UHFFFAOYSA-N	320.751	3.829	50	20	DHGD	
COc1ccc(C(=O)NNc2c(F)cccc2F)cc1C1CC1	768092947	BBFUHRZHKKKHOQ-UHFFFAOYSA-N	318.323	3.608	50	20	DHGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)[C@@H](C)Oc2ccccc2F)C1	768349347	JXSVWLPMQVBTHA-MGPQQGTHSA-N	306.381	3.521	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2c(C)cccc2F)cc1C	771688508	CPRRGGXYYYJSCG-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc3c(c2)CCC(=O)N3C)sc1C	774132846	YAYROUQKCVNCBZ-OQLLNIDSSA-N	323.421	3.733	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2c(C)cc(C)cc2C)CCO1	780589337	HWPBEZBPMFJMFY-HZPDHXFCSA-N	304.434	3.650	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1F)C(=O)NC1CCCCC1	782196997	FCKIDTKNWBCFKD-XYOKQWHBSA-N	306.768	3.835	50	20	DHGD	
CSSCCNC(=O)c1cc(-c2ccccc2)ns1	791149946	DYAYUMMWHVNGOH-UHFFFAOYSA-N	310.469	3.551	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1ccc2ccccc2c1	794568854	WIEKSPOAFKHZQT-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1c[nH]c2ccccc12	794930159	BIDYKFXEWRLRMP-YFHOEESVSA-N	324.286	3.942	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)NCC(C)C)cc1	797330725	QHKUZOZRFJXHFQ-GZTJUZNOSA-N	314.429	3.791	50	20	DHGD	
CCSCC[C@@H](C)NC(=O)NNc1c(C)cccc1CC	799596152	BQQALBZQZNQBPT-CYBMUJFWSA-N	309.479	3.715	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1CCC[C@H]1CCCF	800813265	TWXPXCRPTVUCFZ-AWEZNQCLSA-N	315.392	3.663	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cc(F)c(F)cc2F)s1	810410091	LASJUNMZOXDCGI-UHFFFAOYSA-N	314.332	3.550	50	20	DHGD	
CCN1CCCC[C@@H]1CNCc1ccc(OCCCCl)cc1	811480139	QOWQGQLIWNOXCN-QGZVFWFLSA-N	324.896	3.658	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1)c1cccc(Br)c1	812457524	LQBOOTFOCSCXOQ-LLVKDONJSA-N	319.202	3.696	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)[C@H](C)Oc1ccccc1F	814747000	PSIVDMTZWKCAIC-ZDUSSCGKSA-N	306.381	3.832	50	20	DHGD	
O=C(NN=Cc1nccs1)c1cc2c(s1)CCCCCC2	814755666	IWBJTXRCTFEHRE-UHFFFAOYSA-N	319.455	3.628	50	20	DHGD	
CC[C@@H](C=NNC(=O)CCc1ccc(OC)cc1)c1ccccc1	814813564	SRISUGYNTGHABX-KRWDZBQOSA-N	324.424	3.924	50	20	DHGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1	815817972	RDXRWUZWHZMAKX-NXEZZACHSA-N	317.216	3.642	50	20	DHGD	
C[C@]1(C(=O)NNc2cccc(Br)c2)CC=CCC1	827506043	JMEQBHXKRUTHAS-AWEZNQCLSA-N	309.207	3.639	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OC[C@@H]1C[C@H]2CC[C@H]1O2	835845056	JOSXLGUUZXXQFZ-RFQIPJPRSA-N	316.488	3.811	50	20	DHGD	
Cc1ccc(NNC(=O)c2nnc(C(C)(C)C)s2)c(Cl)c1	836934661	DIHBDAJVYVRKFH-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1csc(C)n1	839427056	QMRRZICEDYMNDY-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
C[C@@H](Cn1ccc2ccccc21)C(=O)N(C)CC(Cl)Cl	848082985	FWGLZQCCOUAERV-NSHDSACASA-N	313.228	3.540	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1cc(F)ccc1C)c1ccccn1	853678510	JNZBFSIHPPGRFN-OAHLLOKOSA-N	316.380	3.697	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)c1cc2c(ccc3ccccc32)o1	858427650	FAQXEYAOYQCYFD-UHFFFAOYSA-N	322.364	3.537	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C#N)ccc1Br	899344730	WUVMYEMLAUPLOP-BNDQCTAISA-N	317.186	3.843	50	20	DHGD	
CCCn1cccc1/C=C(/C#N)c1nc(C(=O)OCC)cs1	920397628	BQOUPEDZMOBXFU-XFXZXTDPSA-N	315.398	3.595	50	20	DHGD	
CCc1cc(OCC(=O)NNc2ccccc2F)ccc1Cl	1253412086	XTEJNNACRUVZBI-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
C=CC[C@@H](C(=O)O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	1588728043	BHBGRKACVDOJPZ-KBPBESRZSA-N	313.514	3.502	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2cccs2)on1	30614955	ZRMXWQJTUNSUQB-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NNc1ccccc1	111554564	GXLLJHASALBXGV-CQSZACIVSA-N	308.303	3.866	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(Oc2cccnc2)c(C)c1	112224331	MMXMBAIBSZOKTB-LFIBNONCSA-N	321.380	3.616	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2)c1C	126423743	SJPSOUOODSWSLH-MHWRWJLKSA-N	305.333	3.792	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1c(F)cccc1Cl	133698243	BWHOUXUMOPXVPA-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	152763572	URSGQLNLFOEUMY-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3ccc(C#N)cc3)oc2cc1C	155312307	MWNOHBWQERODGX-UHFFFAOYSA-N	305.337	3.678	50	20	DHGD	
O=C(CCc1ccco1)Oc1ccc([N+](=O)[O-])c2ccccc12	176928931	PJJKSQDUIUCWAM-UHFFFAOYSA-N	311.293	3.879	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1F	212593799	DZULRALUOVNKKX-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(C#N)cs1	255330118	CASZQFZTVJDUAD-MDWZMJQESA-N	323.377	3.564	50	20	DHGD	
Cc1cccnc1NNC(=O)C1(Cc2ccccc2Cl)CC1	276660940	BWLLNAUTMUOSHG-UHFFFAOYSA-N	315.804	3.509	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)o1	588429905	NWDAXMZXEBHURP-DGGAMASNSA-N	312.344	3.820	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2c(Cl)cccc21	588516167	VTJRROSDZQFYET-RAXLEYEMSA-N	324.767	3.542	50	20	DHGD	
CCCCC/C(C=NNC(=O)COCC)=C/c1ccccc1	731154126	UXKKFGCWEWRJHU-OWMXDWKISA-N	302.418	3.789	50	20	DHGD	
O=C(Cc1ccccc1F)NN=C1CCC[C@H]1c1ccccc1	732532078	CWXBSHFZVUGAKS-INIZCTEOSA-N	310.372	3.808	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNc2c(F)cccc2F)o1	735759296	RXLIZNUXZTYLAN-ONGXEEELSA-N	321.327	3.508	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc(C#N)c(Cl)c1	753317938	XNTXXYRNINNJAI-NSHDSACASA-N	305.809	3.871	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@@H](CCc2ccccc2)C1	755267969	APRJZPGXCJXEID-DZSVRRGNSA-N	318.420	3.885	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)C1CCOCC1	755892241	QTZGQGGKSGNKQQ-UHFFFAOYSA-N	309.797	3.572	50	20	DHGD	
CC(CC1CCOCC1)=NNC(=O)C12CC3CC(CC(C3)C1)C2	757559705	HIJKETZITDMQME-UHFFFAOYSA-N	318.461	3.512	50	20	DHGD	
C/C(=C\C(=O)NNC(=S)Nc1cccc(C)c1C)C(C)(C)C	762795055	FZGPISANGAXIIO-ZRDIBKRKSA-N	319.474	3.613	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1	763356512	RTROISNLLADSDQ-GFCCVEGCSA-N	311.772	3.731	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@H](F)C(F)(F)F	764119869	QWNFQMHUUZJZMX-ZDUSSCGKSA-N	312.266	3.756	50	20	DHGD	
COc1ccc(F)cc1NC(=O)[C@H](Br)C(C)(C)C	768373440	DGPKUMYHWQFHJG-NSHDSACASA-N	318.186	3.582	50	20	DHGD	
C[C@H](CC(=O)NNc1nc2ccccc2[nH]1)C1CCCCC1	768495176	KHMLIJCOSFFKNY-GFCCVEGCSA-N	300.406	3.613	50	20	DHGD	
C=C[C@H](CC(=O)OC[C@H](C)CBr)c1ccccc1	770413598	VEFPBKUVLOZUCT-CHWSQXEVSA-N	311.219	3.921	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccn1)C1(c2ccccc2)CCCC1	773627939	IXQWTZVJEZYUPV-OAHLLOKOSA-N	324.428	3.608	50	20	DHGD	
CCOc1ccccc1COC(=O)/C(C#N)=C/c1ccccc1	785347606	ZLJWRMHTDKJSIN-SFQUDFHCSA-N	307.349	3.736	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(O)c2ccsc2c1	788273841	HDUJOTDSQIDBHH-UHFFFAOYSA-N	302.330	3.503	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2cnc3ccccc3c2)c1	792260380	WXHPMQDQSYPXBD-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
N#Cc1ccc(Cl)c(C(=O)NNc2ccc(Cl)cc2)c1	807120248	FANXNERLTBWSPG-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
O=C(CNc1ccccc1)NN=Cc1ccc(C2CCCC2)cc1	812222760	RGYMGWLFIHFVKI-UHFFFAOYSA-N	321.424	3.906	50	20	DHGD	
O=C(NNc1cccc(Br)c1)[C@H]1CC2CCC1CC2	815850491	OTZXYKAKOZGXSQ-MGULZYLOSA-N	323.234	3.719	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)N(C)CC(Cl)Cl)cc1	816629076	WYEGRRXHTOMEKG-UHFFFAOYSA-N	302.245	3.690	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(Cl)n2)oc2ccc(F)cc12	817009723	XBIHOAYXDLPDET-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747571	UPYGZPLNBCMCJS-MRVPVSSYSA-N	302.205	3.658	50	20	DHGD	
CCSc1cccnc1C(=O)NNc1cc(C)ccc1C	827180636	LHDYLKDSWMRIGC-UHFFFAOYSA-N	301.415	3.567	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@H]1CCCCC1(F)F	828828053	DVEJWRAWWHKNHS-QMMMGPOBSA-N	324.158	3.657	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Cc2ccccc2CC#N)cc1	837053885	XXPISXIJVDLWSK-UHFFFAOYSA-N	307.397	3.562	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccnn2CCC)c1C	853000506	CACIMFDWOVDUAU-VBKFSLOCSA-N	322.412	3.687	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)c1cc2ccc(C)cc2o1	853429018	DIWABWCTISHSAJ-UHFFFAOYSA-N	314.263	3.754	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)NC1CCC(F)(F)CC1	853926920	UHTQIEPMSXJTCY-UHFFFAOYSA-N	321.730	3.683	50	20	DHGD	
C[C@@]1(CNC2CC(c3cccc(F)c3)C2)C[C@H]1Br	857065340	MKEPPVAUCKJESW-AXVKAWJUSA-N	312.226	3.835	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNc1ncc(Cl)cn1	857729220	OAOVCMJRVMAUFG-GFCCVEGCSA-N	310.829	3.570	50	20	DHGD	
CC(C)(C)C#CC(=O)NNc1ccc(OCc2ccccc2)cc1	862518122	XUQHZSKKPQHWDZ-UHFFFAOYSA-N	322.408	3.758	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863180103	ZAKJDSMCEHMBGH-DHZHZOJOSA-N	316.348	3.980	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2cc[nH]c2)C1	897966132	NKFDVEPJYKBWFT-AWEZNQCLSA-N	308.498	3.641	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)C(C)C)c1C	915166977	SPKWGFYBGFUQGN-JQFNYASXSA-N	315.461	3.925	50	20	DHGD	
CCCC(CCC)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	916341138	YUVBIYJIQXYKRS-AWEZNQCLSA-N	320.433	3.925	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)CC(C)(C)C	916726368	MCGKCNYAWNAVIN-LLVKDONJSA-N	310.825	3.563	50	20	DHGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)C1CCCC1	920372512	OHXFCUSTPXILBW-UHFFFAOYSA-N	305.428	3.512	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H]1CCC[C@@H](F)C1	1261454359	GLIJETLCZKINBP-ZJUUUORDSA-N	319.302	3.612	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNc1cccc(F)c1C(=O)O	1595666311	IDYGPSLOLQUKKV-QGZVFWFLSA-N	324.396	3.964	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1C	6951642	LHXGVGLFJALRNN-VBKFSLOCSA-N	306.365	3.939	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)NNc2ccc(F)cc2)c1	45971612	PQSGCZQKTNQUGN-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccccc1C(F)(F)F	85682627	KNXFOGUMINJAQX-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)cc(C)c1F	127015578	QBEXMBDJZHGLNQ-UHFFFAOYSA-N	312.266	3.617	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	131604473	QHKMEBKGGUMSRM-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1	132659647	SWWQTOFEJZHXSL-ATVHPVEESA-N	312.413	3.531	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	154280157	OCRSPFUEBBGXCR-BOPFTXTBSA-N	305.333	3.572	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cc(F)c(O)c(F)c2)nc2ccccc21	175318927	WMHSSJSQFYTRPA-WDZFZDKYSA-N	311.291	3.621	50	20	DHGD	
CCCn1ccc2ccc(NC(=O)NNc3ccncc3)cc21	183082780	GBJUXXSVHSKTEM-UHFFFAOYSA-N	309.373	3.595	50	20	DHGD	
CN(NC(=O)Cc1csc(-c2ccccc2)n1)c1ccccc1	198378024	NKAPCABIKQOGGK-UHFFFAOYSA-N	323.421	3.520	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(OC[C@H]2CCCO2)cc1	255109063	JPUUDYHCSUYQNH-QIPHDZALSA-N	313.397	3.767	50	20	DHGD	
CCCn1c2ccccc2c2nnc(SC/C=C/C#N)nc21	268616367	NMQIFEHQCNERQD-AATRIKPKSA-N	309.398	3.561	50	20	DHGD	
COc1ccccc1[C@@H]1CCN(C[C@H](C)CBr)C1	274438283	AXGQJMJBVFHHDL-CHWSQXEVSA-N	312.251	3.516	50	20	DHGD	
CCCC(=NNC(=O)CC(C)(C)C)c1cccc([N+](=O)[O-])c1	728431336	RGITUBBJQZINBV-UHFFFAOYSA-N	305.378	3.651	50	20	DHGD	
CCCCCCCCCN(C)C(=O)NNC(=O)c1ccccc1	728943914	YVKVQZWNSVUSLM-UHFFFAOYSA-N	319.449	3.723	50	20	DHGD	
CCC(=NNC(=O)c1cccc2ncccc12)c1ccccc1	730146139	HVGUTVVDVTXUPR-UHFFFAOYSA-N	303.365	3.779	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cccc(Cl)c2)cc1	734304760	VQLNGXIPHGQUEI-SXGWCWSVSA-N	310.784	3.872	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(OC)c1	741474923	UFKCXPOEUABIRG-MLJKTZRHSA-N	323.396	3.998	50	20	DHGD	
O=Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)cs1	748510423	FEQJAVVTQHDHSO-UHFFFAOYSA-N	315.181	3.624	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748730697	RPYCKHZPRVWIHT-UWVGGRQHSA-N	311.769	3.518	50	20	DHGD	
Cc1c(C(=O)NNc2c(F)cccc2F)cnc2ccccc12	748853633	NXWZERFLXKVOKI-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	751069109	AHMITIYYDVBULE-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
CC(F)(F)CCC(=O)NNc1cc(C(F)(F)F)ccc1F	754148073	FKEJDGQPOPLGCY-UHFFFAOYSA-N	314.229	3.723	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1	760341173	XEQKCJLXHRUSOD-UHFFFAOYSA-N	302.761	3.690	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ncccc2C(F)(F)F)CC1	769124312	ZVXALYDENCQUIG-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cc(C)c(O)c(C)c2)ccc1[N+](=O)[O-]	774562272	SLTJIRARUDOVDZ-NVNXTCNLSA-N	324.336	3.990	50	20	DHGD	
COc1ccc(C)cc1NC(=O)[C@H](Br)C(C)(C)C	781067217	SOWUWDHYWDOFFS-LBPRGKRZSA-N	314.223	3.752	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2sccc2Cl)c1	782136155	QEMHDOPXNNGNFQ-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2c(c1)oc1ccccc12	782553995	WARSBBFMNBTMOK-UHFFFAOYSA-N	323.352	3.539	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)COC(=O)/C(C#N)=C\C2CC2)cc1	786676922	WECWTZSKKTZPRG-OMJMQIJPSA-N	311.381	3.786	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccsc2Cl)cc1	790151836	UGBOKMYDHDDGTF-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](c2ccc(C)cc2C)C1	790878806	LAFKMWGMTVLSPZ-AWEZNQCLSA-N	324.515	3.814	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(F)c(Cl)c1	795560145	VQLUFIYXWBRKNW-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
CCC/C=C\C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802089105	IHADZGZBUXBIML-PLNGDYQASA-N	316.188	3.502	50	20	DHGD	
CO[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)[C@@H](C)C1	811500547	GPNVDTUZUFXDPU-WMLDXEAASA-N	311.853	3.694	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2ccc(Cl)cc2[nH]1	816629239	CXTFIYBKRLKRRQ-UHFFFAOYSA-N	305.592	3.697	50	20	DHGD	
Cc1ccc(F)c(CC(=O)NNc2ccc(C(C)C)cc2)c1	837053374	NTGGESMQIYPDCK-UHFFFAOYSA-N	300.377	3.943	50	20	DHGD	
CC(C)(CCC(=O)NNc1ncc(F)cc1F)c1ccccc1	837209287	YWQNBWGZQNDRDX-UHFFFAOYSA-N	319.355	3.561	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3sccc32)C[C@H]1Br	857083431	WOIWWWPUJKGRLD-RAIGVLPGSA-N	300.265	3.889	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)CC)c1ccc(Br)cc1	915973700	DHEOKJJLOYPYCM-JTQLQIEISA-N	311.223	3.726	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)c2ccc(C)cc2)cc1	916618500	QAYBQONPPBFQGT-WQRHYEAKSA-N	319.360	3.637	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1	1115842739	IZCDANWRCNHKLR-KAMYIIQDSA-N	316.364	3.675	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(SC(F)(F)F)cc1	1337561751	DRVFIVDJVAKUQG-CMDGGOBGSA-N	316.304	3.681	50	20	DHGD	
CC[C@@H]1CCCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046267	IMRQHNCQHGVSHA-GFCCVEGCSA-N	317.389	3.853	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1ccsc1	92928529	OQQSLDKNTPAJBN-UHFFFAOYSA-N	301.293	3.916	50	20	DHGD	
CN(C)c1ccc(NC(=O)NNc2ccccc2)cc1Cl	120524306	JNVDOELBCMHEML-UHFFFAOYSA-N	304.781	3.555	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1nc(Cl)ccc1Cl	120810367	VDLXHJWXGKZQOM-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2Cl)c(C)n1C1CC1	126982181	XYOOOFWPHVLUAS-UHFFFAOYSA-N	303.793	3.850	50	20	DHGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2c(Cl)cccc2Cl)O1	133151826	IFACMRXAAZHXGU-UWVGGRQHSA-N	317.216	3.784	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cc(F)ccc1Br	161065049	JSQMVSGDIKEKJR-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccnc(C)c2)c1C	171239477	ODJDTQZYJNOVQI-GZTJUZNOSA-N	322.412	3.764	50	20	DHGD	
CS[C@@H]1CCC[C@H](NC(=O)NNc2ccccc2Cl)C1	172341025	QXBYLZMAXCHXSH-WDEREUQCSA-N	313.854	3.640	50	20	DHGD	
Cc1cccc(CC(=O)NNc2nc3ccccc3cc2C)c1	181322024	BKRRFMJBNUXBOA-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccncc2)c2ccccc2n1	183022424	XDXMAWRBIDKFCW-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
Cc1cscc1C(=O)NNc1ccccc1OC(F)(F)F	190231771	BFFZZJCVNJWIEI-UHFFFAOYSA-N	316.304	3.712	50	20	DHGD	
CC(C)(C)OC(=O)CCC(=O)NNc1ccc(C(C)(C)C)cc1	192444266	GYSBXWPEIROHSP-UHFFFAOYSA-N	320.433	3.549	50	20	DHGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12	205648886	PIAXZNWAUVHESQ-LCYFTJDESA-N	317.304	3.866	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1ccc(Cl)cc1	252637261	XQPBQSABSQQKDU-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cccc3ccccc23)cc1	254385332	WFSRNXKPCNBFAL-UHFFFAOYSA-N	317.392	3.710	50	20	DHGD	
CN(Cc1cnn(-c2ccccc2)c1)/C(=C\C#N)c1ccccc1	254999394	ZFZLZWGXWJUISK-NDENLUEZSA-N	314.392	3.869	50	20	DHGD	
C[C@H](c1ccco1)N(C)C(=O)[C@H](Br)C(C)(C)C	272594536	JERVEOKEDGKAQR-KOLCDFICSA-N	302.212	3.609	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	588588895	UJIJWWKKTKVDAJ-GHRIWEEISA-N	320.458	3.612	50	20	DHGD	
CC(C)CC[C@@H](NC(=O)NNc1ccc(F)cn1)C(C)(C)C	734545542	YOARMXVAIYNSED-CYBMUJFWSA-N	310.417	3.698	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cccc(OC(F)F)c1	737431805	NQFZFJBBWXKJOA-LBPRGKRZSA-N	322.355	3.974	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1)Nc1ccc(OC(F)F)cc1	741772525	YOFPXVUKGWTWTB-UHFFFAOYSA-N	323.274	3.583	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1cccc(C)c1	743301536	JJOHDWIPHNQWEJ-PVAVHDDUSA-N	304.434	3.812	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc2ccc(F)cc2s1	748089880	YPBCNWGUYXLKOO-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccc(Br)cc1F	748203047	IGKMXNGROOEMKP-VQHVLOKHSA-N	315.186	3.778	50	20	DHGD	
CC(C)c1ccccc1NC(=O)NNc1ccccc1[N+](=O)[O-]	758145373	YNBYKFFHGORSCM-UHFFFAOYSA-N	314.345	3.867	50	20	DHGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1cccc(Cl)c1	760336752	HSUUXDMMAHYAMM-GFCCVEGCSA-N	310.825	3.911	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)CC1	764785618	JTXOZMFNZZWBDM-UHFFFAOYSA-N	316.430	3.824	50	20	DHGD	
CC[C@@H]1CCCC1=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	764790365	QXEFSEMHXIESAC-CQSZACIVSA-N	324.428	3.989	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCCc3cccnc32)c(C)c1	768093143	DXQOPNXFYHDIFE-INIZCTEOSA-N	309.413	3.570	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H](C)c1ccccc1	771286303	CKFKZNGYOHYNIK-CYBMUJFWSA-N	301.365	3.564	50	20	DHGD	
CCCC(=NNC(=O)CCc1ccccc1O)c1ccsc1	785453533	KKNFMUQIERUUJF-UHFFFAOYSA-N	316.426	3.707	50	20	DHGD	
COc1ccc2nc(/C=C(\C#N)C(=O)c3ccoc3C)sc2c1	788691348	WAJXZJARULTHBV-YRNVUSSQSA-N	324.361	3.996	50	20	DHGD	
Cc1cccnc1NNC(=O)Cc1ccc(-c2ccccc2)cc1	791223381	BWZBBTREGWRNJB-UHFFFAOYSA-N	317.392	3.743	50	20	DHGD	
COC(=O)c1coc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1	797405940	LWJRIAAKHBBSIE-YHYXMXQVSA-N	316.382	3.884	50	20	DHGD	
Cc1cc2sc(NC(=O)NNc3ccccc3)nc2cc1F	797673921	ARCMHVQDINZAJY-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)/C=C\c1ccc(OC)cc1	799756955	NJTDHBCTJPBKHP-RAXLEYEMSA-N	310.397	3.723	50	20	DHGD	
COc1ccc2cc(NC(=O)NNc3ccccc3)ccc2c1	806613407	SVZDMJVIMOOCGB-UHFFFAOYSA-N	307.353	3.997	50	20	DHGD	
CC(C)N1CC[C@H](CNCc2ccc(OCCCCl)cc2)C1	811506899	JVLNICXENFDCFC-QGZVFWFLSA-N	324.896	3.514	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@H]2CC2(F)F)c1C	816418327	LRQVMNUVMHLUDI-KEQVLUGWSA-N	322.355	3.620	50	20	DHGD	
CCCc1cc(NC(=O)NNc2ccc(C(C)C)cc2)n(C)n1	836490658	IUUDPNOZYGSTKN-UHFFFAOYSA-N	315.421	3.645	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccnn2CC(C)C)c1C	843263613	KEQUFKBPYSGXBV-MHWRWJLKSA-N	322.412	3.702	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccc(C2CC2)c1	847754901	RJBCIIJKPVGVFI-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1ccc(C)c(F)c1	856229760	WDUCVHYRKYAHGR-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CC[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(F)cc1O	857083797	ZZCGNFOWAWAOFE-FPMFFAJLSA-N	316.214	3.746	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	860322631	LXNABNYORJKIFO-DFQSSKMNSA-N	318.420	3.594	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(OC)c(C(C)(C)C)c1	865224051	OIUUTHUXFHEDBV-GXDHUFHOSA-N	321.442	3.682	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(-c2ccccc2F)o1	920752774	PXDGMUBOBWNZQO-UHFFFAOYSA-N	303.337	3.519	50	20	DHGD	
CN(Cc1ccc(F)cc1F)C(=O)C1CCC(Cl)CC1	1263703737	ACIFOYLKAIIFEM-UHFFFAOYSA-N	301.764	3.721	50	20	DHGD	
COc1cc(C)c(NC(=O)C2CCC(Cl)CC2)cc1OC	1345505317	ALIIIFWCWOGOCG-UHFFFAOYSA-N	311.809	3.748	50	20	DHGD	
C[C@@H]1CCC(C)(C)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045645	BRQAYSAGWSEAEP-LLVKDONJSA-N	317.389	3.709	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	23217953	WRNFBAXJXKLTLA-NTEUORMPSA-N	315.373	3.541	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3o2)cc1OC	31909243	NAIJMNJEEQNSCL-LCYFTJDESA-N	306.321	3.909	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1csc(C2CC2)n1	63278143	IBFRFOCWGQXENF-LCYFTJDESA-N	303.431	3.624	50	20	DHGD	
COc1ccc(S[C@@H](C)C(=O)NNc2cccc(C)c2)cc1	76481035	JKMDSCPLGRETLU-ZDUSSCGKSA-N	316.426	3.628	50	20	DHGD	
CC(C)(C)OC(=O)n1cnc2cc(CBr)ccc21	85210380	YNJSMLGKVOCZRG-UHFFFAOYSA-N	311.179	3.714	50	20	DHGD	
CCC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCO1	89472771	GLVIWUHXZJOYTN-KGLIPLIRSA-N	317.520	3.728	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1ccnc2ccccc12	106924969	LEXHWXVKXZIKJS-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1cccc(Cl)c1	114111726	QQDHNJZTMQTULF-UHFFFAOYSA-N	312.200	3.644	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@H](C)c2ccc(F)cc2F)c1	161802076	LSBZWJRYSDBMRC-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2c(C)nn(C)c2Cl)c1C	171389858	QIVORVKCXRHYQR-MDWZMJQESA-N	313.788	3.789	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)C(=O)N(C)c2ccccc2)c1	171982190	NXSCHQJCKBZNKI-FOWTUZBSSA-N	306.365	3.655	50	20	DHGD	
C[C@@H](NC(=O)OC(C)(C)C)c1ccc(NC=C(C#N)C#N)cc1	174586178	ZLEAOIJHEBXSEA-GFCCVEGCSA-N	312.373	3.615	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	188574618	CWFCCCMUVIXNDL-XSVZSIDJSA-N	306.365	3.567	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@@H]2C)c1C	212382916	JAGVHZRPXMZNBM-QCUKBLKESA-N	313.445	3.823	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1nccnc1C1CCC1	286861222	CEDBZXXOZBWMII-UHFFFAOYSA-N	314.389	3.526	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)C(C)(C)c1ccccc1	728134358	KEDSDANWVIZAFZ-CYBMUJFWSA-N	315.392	3.818	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(Br)s1	728429127	TVFYQIAKUPMIFV-UHFFFAOYSA-N	317.252	3.787	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1cc(Cl)cc(Cl)c1	731486946	GJZIKDUPFCNFIL-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3csc([N+](=O)[O-])c3)[nH]c12	735619616	OJXRQIJGHYLHNG-VZUCSPMQSA-N	310.338	3.905	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC(C)(C)C[C@@H]2C)cc1OC	748244790	QECJCNJMMXBFSP-LBPRGKRZSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)c2ccccc2C)c1	756822690	CRQMNTVMUWLHQZ-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@](C)(CC)C2)cc1	758665718	POENKXJZXQWLGF-APEZIOSESA-N	312.413	3.641	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c(Cl)c1	769923026	PWSIQIJKTQMYHX-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccc(F)c(F)c2F)cc1	769923224	UDDLBCKLLFXOIH-UHFFFAOYSA-N	309.291	3.815	50	20	DHGD	
Cc1cccc(C2(C(=O)OC[C@H](C)CBr)CC2)c1	770349647	UPMUFEIHNMLEIZ-GFCCVEGCSA-N	311.219	3.601	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)Cc1ccccc1F	771301016	QKAOYCMEQUJSFN-GFCCVEGCSA-N	319.355	3.531	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)c3nc4cccc(C)c4[nH]3)n2c1	771861302	WCQLNNYINZEVML-ZSOIEALJSA-N	313.364	3.892	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1ccc(C2CC2)cc1	772568439	QWXODTZEKJYJRF-UHFFFAOYSA-N	302.765	3.761	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2nccnc2C(C)C)cc1	772867157	SNZFCKQIHVTNSM-CYBMUJFWSA-N	312.417	3.870	50	20	DHGD	
COC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCCCC1	773736463	OFLKRXLBZQIXNN-UHFFFAOYSA-N	304.434	3.777	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCCNc2ccccc21	774370388	VSIPFQVEUBGMLB-UHFFFAOYSA-N	308.385	3.727	50	20	DHGD	
O=C(NNc1ccccn1)c1cccc(Nc2ccccc2)c1	777474435	DULIWOLYZDLLBD-UHFFFAOYSA-N	304.353	3.582	50	20	DHGD	
C=CCCCCNC(=O)NNc1ccccc1OC(F)(F)F	779659999	FPSUJGCSUZNJQS-UHFFFAOYSA-N	317.311	3.568	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2cc(F)c(F)c(F)c2)C[C@@H](C)C1	780602518	YQBYGJJJEMWESG-IUCAKERBSA-N	300.324	3.619	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCC[C@@H]1CC1CCCCC1	780754784	JEBALMIDBBNTPM-OAHLLOKOSA-N	321.914	3.770	50	20	DHGD	
CC(C)(C)CN(CCC#N)C(=O)[C@H](Br)C(C)(C)C	781084026	MGFSRHZYJPXEGK-NSHDSACASA-N	317.271	3.584	50	20	DHGD	
CN(NC(=O)c1ncsc1-c1ccccc1)c1ccccc1	783882785	IVJPDDJVXHFBJX-UHFFFAOYSA-N	309.394	3.591	50	20	DHGD	
C[C@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)c2ccccc21	785291711	PXKVKKLJYZIVBT-OJNRTJSBSA-N	306.340	3.883	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1C	787486303	QCIIATFWICXQGF-LFIBNONCSA-N	306.365	3.809	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1ccc(Cl)c(OC)c1	790177488	JGFNLPABUOQKGA-UHFFFAOYSA-N	318.804	3.597	50	20	DHGD	
C=C(CBr)COC(=O)Cc1cccc2ccccc12	795341822	KERNGRVDTDLDOF-UHFFFAOYSA-N	319.198	3.877	50	20	DHGD	
O=C(NNc1ccccn1)Nc1cc(Cl)c(Cl)cc1F	799243293	XIMFNWPRRSODQX-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020060	GLWIKFPUQZMYMT-LLVKDONJSA-N	311.813	3.709	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccccc1Oc1ccccc1	804212960	FPDXOGZLKYXZIR-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CC(C)c1ccc(SCC(=O)NNc2ncccc2F)cc1	804218689	AZPHQOQQPLSEAX-UHFFFAOYSA-N	319.405	3.580	50	20	DHGD	
O=S(=O)(CCCCCl)Oc1ccc(C2CC2)cc1Cl	814404372	OXCLQGBTSYMTTQ-UHFFFAOYSA-N	323.241	3.945	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](OC(C)C)c1ccccc1	815853924	GSVZJJZAIRZWPH-KRWDZBQOSA-N	316.376	3.744	50	20	DHGD	
N#C/C(=C\c1c(Cl)ccc(Cl)c1Cl)C(=O)NC1CC1	817913939	TVEHIZIJMDTENB-FNORWQNLSA-N	315.587	3.832	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1ccc(OC(F)F)cc1	827180033	ABBAUQQCZMNJED-LLVKDONJSA-N	300.349	3.803	50	20	DHGD	
Cc1ncc(C(=O)NNc2ccc(C(C)C)cc2)c(C(C)C)n1	837054553	UNDJDIKIAHLWIG-UHFFFAOYSA-N	312.417	3.789	50	20	DHGD	
CCC(C)(C)OCC(=O)NNc1ccnc2cc(Cl)ccc12	839482249	YISAMDJTRSFFIR-UHFFFAOYSA-N	321.808	3.537	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCC1(C#N)CCCCC1	840260335	XVHGUVRSYGMZEA-FOWTUZBSSA-N	324.380	3.707	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COC[C@H](C)c2ccccc2)c1	845856645	NTCSYHOBXLCFIM-INIZCTEOSA-N	312.413	3.567	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CC12CCC2	846379086	SDQJPCNBWBVBMO-JTQLQIEISA-N	318.726	3.992	50	20	DHGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)NCCCSC#N	854362382	MGEAUVHPKQEEEU-HBWSCVEGSA-N	318.442	3.598	50	20	DHGD	
CC1(CC(=O)NC[C@@]2(C)C[C@@H]2Br)CCCCC1	857395425	XQXIDPWRNPXYHI-SMDDNHRTSA-N	302.256	3.637	50	20	DHGD	
O=C(NN=Cc1ccccc1OCc1ccccc1)C1CCCC1	914836625	SSUHYSGZECEODR-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
COc1ccc(Cl)cc1C=NNC(=O)Nc1ccccc1C	916661933	HKHVFRMJDOETER-UHFFFAOYSA-N	317.776	3.813	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1c(C)noc1C1CC1	928337751	URTYJVILZOIKSX-UHFFFAOYSA-N	305.765	3.579	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)ccc1F	1115989300	XKOARHYHLMFWOI-UKTHLTGXSA-N	304.328	3.724	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2cccc(Cl)c2)cc1Cl	1318268067	CTUBBIJHSGBWHK-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)n(CC3CC3)c2C)cc1F	1351104759	AMBGAQZULZXLEH-UHFFFAOYSA-N	315.392	3.719	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1ccc(C(=O)O)c(F)c1	1595668989	FOHUYLHURYGFJH-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
O=C(Cc1ccc(F)cc1F)NNc1cccc2c1CCCC2	120068942	FUSQBUGGCVMMNF-UHFFFAOYSA-N	316.351	3.529	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)ccc1O	124822094	FHZKXDGDZHYOFV-SXGWCWSVSA-N	307.349	3.808	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)c1c(F)cccc1F	133362273	JCPNZYJMNYTWGO-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cncc(-c2ccccc2)c1	155100641	HVDCETGIFQJKKC-UHFFFAOYSA-N	307.328	3.645	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-]	191359190	CMMJXZVUBIDADB-RIYZIHGNSA-N	316.320	3.911	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc2scnc2c1	194517327	PYHSUTFVBKMYOQ-KPKJPENVSA-N	321.361	3.548	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccccc1CCC(F)(F)F	276753335	QCUIJHGFQBVKBU-UHFFFAOYSA-N	323.318	3.642	50	20	DHGD	
Cc1c(C(=O)NNc2nccnc2C2CCC2)oc2ccccc12	287320366	WYPSJINZOGMKBI-UHFFFAOYSA-N	322.368	3.556	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1nc(C2CC2)cs1	490844563	QVGGWAJSIWDXQH-GHXNOFRVSA-N	313.357	3.705	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(-c2ccccc2)c(C)c1	490910125	PWGJGCKOHPEVKP-JXAWBTAJSA-N	320.392	3.722	50	20	DHGD	
CCCN(N=CCCc1cnccc1C)C(=O)OC(C)(C)C	495677334	NMZUOBMCPPCAGQ-UHFFFAOYSA-N	305.422	3.956	50	20	DHGD	
O=C(NNc1ccc(F)cn1)Nc1cc(Cl)ccc1Cl	731358278	MGSXXQAOWXZABC-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)ccc2F)cc1	734979891	DXJGAYHWZAYCAN-LICLKQGHSA-N	308.356	3.666	50	20	DHGD	
O=C(/C=C\C1CCCCC1)NNC(=O)c1cccc2ccccc12	741576726	ZDRRQYICVCPANI-YPKPFQOOSA-N	322.408	3.737	50	20	DHGD	
CCC(=NNC(=O)c1c(Cl)cccc1Cl)[C@H]1CCOC1	741844162	VTDHIQUVFCQWCU-VIFPVBQESA-N	315.200	3.526	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCC2)c(C)n1CC(C)C	742001085	SDBGJFNQFLBHQI-YVLHZVERSA-N	313.445	3.679	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)c1cccc(Cl)c1	742473101	YBWCHXDYVGRCBZ-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)CCc2ccccc2O)C1	743440048	WMUJBNWEEVAFRL-UHFFFAOYSA-N	322.408	3.683	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)c1cc2ccccc2o1	749478686	HQMVNJMUOIYKGJ-ZDUSSCGKSA-N	316.401	3.800	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C#N)c(Cl)c1	753307019	YVBGVUIPYMCGRV-NWDGAFQWSA-N	305.809	3.871	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)CCC(C)(C)C)c1ccccc1	754262239	MFAXPFCRADOBQE-GOEBONIOSA-N	318.461	3.790	50	20	DHGD	
CC(C)(C=NNC(=O)CCSc1ccc(F)cc1)CCC#N	755566416	KVQUTHWIHAJPCK-UHFFFAOYSA-N	321.421	3.740	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2nc(Cl)cs2)c1C	759069636	AENLVISPBLFLSZ-WDZFZDKYSA-N	317.801	3.959	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1Cc2ccccc2C1	762139476	HHHVMGNPLPFHKO-UHFFFAOYSA-N	320.314	3.564	50	20	DHGD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNc1ccc(F)cc1	763091106	MWYDGGDGNMFTBD-PXAZEXFGSA-N	313.376	3.775	50	20	DHGD	
CO[C@H](C)C(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	763155832	LFNOZLJFULCWKX-LLVKDONJSA-N	320.389	3.695	50	20	DHGD	
CCC[C@@H](C=NNC(=O)c1cccc(C#N)c1)c1ccccc1	769576290	VSRLCZLOJSFXDU-SFHVURJKSA-N	305.381	3.858	50	20	DHGD	
CCn1nc(/C=C(/C#N)c2nc3ccccc3[nH]2)c2ccccc21	769718391	LPGDDJYVICHAQU-QBFSEMIESA-N	313.364	3.997	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc(O)ccc1Br	769775962	JRRVRBLFHGPUBD-POHAHGRESA-N	308.175	3.677	50	20	DHGD	
CCc1cccc(OCC(=O)NNc2c(F)cccc2Cl)c1	770198201	YSZGOMRNXRAMCB-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCCN1CCCCC1	770321881	ATZFXGZMOCQAGG-CQSZACIVSA-N	317.520	3.730	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)[C@@H](C)C1	783822129	TXNUKRWCSDAURQ-STQMWFEESA-N	311.385	3.884	50	20	DHGD	
Cc1cccc([C@@H](C)OC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	784019628	GZCJPEAIJUXIPL-RQNDZEIBSA-N	307.349	3.912	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNC(=O)Nc1ccccc1C	784611220	AYCIIVPJDMRDFN-ZDUSSCGKSA-N	305.422	3.754	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)c1ccc(Cl)nc1)c1ccccc1	794493933	BNZILPQLTVSQCN-HNNXBMFYSA-N	315.804	3.890	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CCC(F)(F)C1	799632933	KPRCNSAYTTZHHS-GFCCVEGCSA-N	311.376	3.619	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cccc2cccnc12	799758810	CAAGIQBEQLCLRF-UHFFFAOYSA-N	319.408	3.791	50	20	DHGD	
C[C@@H](CBr)CN1CCCn2c(cc3ccccc32)C1	805841170	IJPPUNNCXHLSEH-ZDUSSCGKSA-N	321.262	3.878	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1OC1CC1	807121521	VWVYNKKSQMEXPL-UHFFFAOYSA-N	322.408	3.864	50	20	DHGD	
Cc1ccc(SCCC(=O)NCC(Cl)Cl)cc1C	808128866	HDFHVRMBJHKONT-UHFFFAOYSA-N	306.258	3.706	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cncnc1-c1ccccc1	810684141	QAMIIQLFWQDUKF-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)C=C2CCCCC2)cc1C	812720953	IBYAJCRYELVXGZ-UHFFFAOYSA-N	316.401	3.505	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2c(c1)OCO2	812768373	QDAHYBFPPDURJF-UHFFFAOYSA-N	312.369	3.604	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(Cl)n1)c1ccc(Cl)s1	817006180	ZMAJJCJLAHZYBO-SSDOTTSWSA-N	316.213	3.697	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2Cc2ccccc2)CC1(F)F	846462627	WCDJQQPJJDUZSZ-QGZVFWFLSA-N	316.351	3.766	50	20	DHGD	
C[C@@H](CC(=O)NNc1nc2ccc(Cl)cc2s1)C1CC1	856233810	BMMQMEFVAMVQMV-QMMMGPOBSA-N	309.822	3.829	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C(C)C	857182328	HVNSZKFABXPQEG-GFCCVEGCSA-N	311.357	3.639	50	20	DHGD	
N#C/C(=C\c1ccsc1C(F)(F)F)C(=O)[C@@H]1CCCOC1	863190277	QKBSLEWHJYEWPO-VUUNSECVSA-N	315.316	3.670	50	20	DHGD	
Cc1cc(O)cc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c1	863620054	SPDBSUIGAORKRW-PSOPSSQASA-N	324.218	3.593	50	20	DHGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1	916245499	CVTKMCGUKKMEJY-STQMWFEESA-N	315.373	3.671	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2c(c1)CCC2	916650312	CLVWJFLZDBHSMU-MHWRWJLKSA-N	306.340	3.860	50	20	DHGD	
CCCn1nc(C)c(C(=O)NNc2ccc(Cl)cc2C)c1C	928338807	ANHKVBWDWXIZPB-UHFFFAOYSA-N	320.824	3.629	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)CC2CCCCC2)cc1C(=O)O	1600463296	PXLMXYIZWCMVFG-ZDUSSCGKSA-N	318.417	3.743	50	20	DHGD	
O=C(O)c1ccc(C(=O)NN=C2CCC3(CCCC3)CC2)cc1	1776100986	LILJRBPKPWGDLO-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
C[C@H](CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776427211	CRXPTTSTOOTGDS-CYBMUJFWSA-N	323.509	3.881	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(F)c(C(=O)O)c1	1777477254	QTJLBOFWERXAFQ-WDZFZDKYSA-N	315.325	3.684	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1F	8199096	VRMXDUOMVMMQEF-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	131110662	SSWXMYRUNKILBI-AUWJEWJLSA-N	309.296	3.653	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C1=CCCCCC1	131892270	KCPJXCZDUZLGES-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccccc2Br)C1	153529548	DRPSVDKSPWXCCB-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
CC(C)[C@H](CC(=O)NNC(=O)CC1CCCC1)c1ccccc1	171481013	VFHRKOHRZYZPPI-KRWDZBQOSA-N	316.445	3.544	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ncccc1Cl	173603748	ZKWUVBLVCDJARI-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)CCc2cccc(F)c2)c1	175227129	FWKSETUTPODBBP-CQSZACIVSA-N	300.377	3.846	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cc(F)ccc2F)cc1	181120384	BJFVHQOGCCXASW-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)s1)NNc1ccc(F)cc1F	192755429	IRYSLSLVXYHSFM-ZZXKWVIFSA-N	314.744	3.836	50	20	DHGD	
O=C(NN=Cc1ccccc1[N+](=O)[O-])c1ccc2ccccc2c1	252596339	CIKIPBSGEKXDCN-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
CC[C@@H]1C[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)CCO1	272629119	AVYGLMLEENBZMN-GXSJLCMTSA-N	317.216	3.642	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)COc1ccc2ccccc2c1	727778161	ZZMNWJOZCYCCTP-AWEZNQCLSA-N	310.397	3.923	50	20	DHGD	
O=C(NNC(=O)C1CCCCCCC1)c1ccc2ccccc2c1	741672862	HYPZXRCSVALSFH-UHFFFAOYSA-N	324.424	3.961	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	741930318	PYZRLARZFCRARH-NVXWUHKLSA-N	318.461	3.934	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)Cc1ccncc1)c1ccccc1	747645639	GJHAEEIQEKGZHT-UHFFFAOYSA-N	309.413	3.581	50	20	DHGD	
C#Cc1ccccc1C(C)=NNC(=O)c1cc2ccccc2o1	753709265	NXYWYDZHHIYUMP-UHFFFAOYSA-N	302.333	3.568	50	20	DHGD	
Cc1ccc(Br)cc1NC(=O)NNc1ccccc1	762237196	CAPBOUFSXNZNER-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
O=C(NN=Cc1cnc(C2CCCC2)s1)c1ccccc1F	767747537	WJIHHGORBFDTDK-UHFFFAOYSA-N	317.389	3.704	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)OC1CCCCCC1	771707257	MTFGRHTXYIUOPD-CYBMUJFWSA-N	308.397	3.705	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2F)c1C	772807090	PFYUBHHOJBYTLX-CXUHLZMHSA-N	319.339	3.860	50	20	DHGD	
COc1cnc(NC(=O)CCCC[C@@H]2CCSS2)s1	774276870	VACMIKPGHIBPIV-SECBINFHSA-N	318.489	3.804	50	20	DHGD	
N#CC1=CCN(C(=O)c2c[nH]cc2-c2ccc(Cl)s2)CC1	780684312	CELBSCRYGXIWMT-UHFFFAOYSA-N	317.801	3.692	50	20	DHGD	
Cc1ccccc1/C=C(\C#N)C(=O)NCc1cccc(Cl)c1	786055162	CDOGHQNNVVGHIW-MHWRWJLKSA-N	310.784	3.872	50	20	DHGD	
C=CC[C@H]1N(C(=O)/C(C#N)=C\c2ccc(O)cc2)CCCC1(C)C	787582741	VCLMHMRQSKQKSR-BBLCHGJFSA-N	324.424	3.892	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc[nH]1)c1ccc(C(F)(F)F)cc1	788981943	YMVYIBAWYOWXSG-SNVBAGLBSA-N	309.291	3.553	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cccc(OC2CCCC2)c1	808247393	XSMQUGGYRDITAM-UHFFFAOYSA-N	316.228	3.884	50	20	DHGD	
OCC[C@H](NCc1ccc(OCCCCl)cc1)c1ccco1	811491079	ZLQMBIVNICUKEC-INIZCTEOSA-N	323.820	3.501	50	20	DHGD	
CCCc1cc(C(=O)NNc2c(C)cccc2C(C)C)n[nH]1	812769215	WYMYDJOWYGPOQI-UHFFFAOYSA-N	300.406	3.551	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)C[C@@H]1CCOC1	813100630	IMMFXGUIVCERKY-CABCVRRESA-N	319.449	3.560	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)c1cnn(-c2ccccc2)c1	814848385	JEMRRFKGTNTFKZ-UHFFFAOYSA-N	322.412	3.702	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)CSc1ccccc1O	814969262	SOCRADYBOGINQG-LBPRGKRZSA-N	308.447	3.803	50	20	DHGD	
C[C@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CC1(F)F	817441208	IVNNPQIWWYMQQR-SNVBAGLBSA-N	313.106	3.621	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2ccnc(F)c2)cc1	828123777	XXSCWCUPDLHHFL-UHFFFAOYSA-N	317.364	3.545	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1cc(C(F)(F)F)ccn1	832963052	QNYLRMPHLMXXFU-UHFFFAOYSA-N	303.328	3.616	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H]2CCO[C@H](C(C)C)C2)cc1	838533559	JKBDPWIORPKGPQ-SJORKVTESA-N	319.449	3.640	50	20	DHGD	
CC1(C)C[C@@]1(C(=O)NNc1cccc(Cl)n1)c1ccccc1	854602951	GNORRDYGTCKYJO-KRWDZBQOSA-N	315.804	3.546	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1	854952891	OQDIKRWHFNDDQN-QUSVSHMOSA-N	312.413	3.615	50	20	DHGD	
C[C@@H](NC[C@H](CBr)C1CC1)c1ccc(C#N)cc1	859229912	QQOIFPAHSLDPHD-ABAIWWIYSA-N	307.235	3.630	50	20	DHGD	
C[C@H](NNC(=O)C1(c2cccs2)CCCCC1)C(F)(F)F	862314371	ZZBFAXALFONWGP-JTQLQIEISA-N	320.380	3.522	50	20	DHGD	
C[C@H](NS(=O)(=O)CCCCl)c1cc2ccccc2s1	881868497	GRXGTDPAORRQHS-JTQLQIEISA-N	317.863	3.511	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C#N)ccc1Br	899344733	WUVMYEMLAUPLOP-SRMXYGTFSA-N	317.186	3.843	50	20	DHGD	
O=C(NN=C1CCCc2[nH]c3ccc(F)cc3c21)C1CCCC1	914835657	QSNYIPTYHSGTPG-UHFFFAOYSA-N	313.376	3.654	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1	916273587	LWLQTNAUJXUCLY-UHFFFAOYSA-N	304.802	3.582	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cccc(Cl)c1	916278262	LBLRDUXKKYQQQL-UNQGMJICSA-N	302.805	3.882	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)o1	916662397	LWFKRQVYWDLISV-UHFFFAOYSA-N	311.168	3.967	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(OCCC)c1	917144031	WLDZGGAZBDBGGN-VBKFSLOCSA-N	300.402	3.689	50	20	DHGD	
CC(C)(C)c1ncc(C=NNC(=O)c2cccc(Cl)c2)s1	920364493	DSEGYFRQHWECTR-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)c3ccccc3Cl)c[nH]c2c1	1337561766	FJFMKDMRXWCXRI-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
CN(C)CCc1ccc(NC(=O)c2cccc(CCl)c2)cc1	1353566373	ZZFNVDSGDWUYSV-UHFFFAOYSA-N	316.832	3.782	50	20	DHGD	
C[C@@H](Cc1ccc(N(C)C)cc1)NC(=O)C1CCC(Cl)CC1	1548636324	WXZNWDRXZCDFCI-JEYLPNPQSA-N	322.880	3.597	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)C(C)C	1605254313	XDUBWKZGCFZCCG-ZDUSSCGKSA-N	324.396	3.820	50	20	DHGD	
O=C(NN=C1CCCCCCC1)c1cc(-c2ccccc2)n[nH]1	7007920	VBVYBTCRNBIPSN-UHFFFAOYSA-N	310.401	3.907	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c1C	7164290	MAPGDLVJQFFFAC-OQLLNIDSSA-N	321.336	3.757	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(C(F)(F)F)c2F)c1	80001769	LIYGFXWOUSCDFC-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3c(F)cccc3F)cc2C1	118511098	MXHZNWBSGOYHDA-SECBINFHSA-N	322.380	3.908	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccc(F)c(F)c1F	119570042	XULBNWADGGVZON-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CCOCCC1(C(=O)NNc2cccc3c2CCCC3)CCC1	120260473	YATYMIWKXSTTIC-UHFFFAOYSA-N	316.445	3.605	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc3c2CCCC3)c(F)cc1F	120410546	CLTRJCSHSUVPDE-UHFFFAOYSA-N	316.351	3.909	50	20	DHGD	
CCc1c(C(=O)NNc2ccc(C)cc2)cnn1-c1ccccc1	128000820	FEKPAPCGIMHNIK-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1C	154285680	QRCMVKGWHBUPGN-UNOMPAQXSA-N	322.408	3.850	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ccc(Br)cc1	177392937	YDZHIYMWTNCVLF-UHFFFAOYSA-N	309.207	3.661	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccc(CCC(F)(F)F)cc1	180561420	YUNFCXCIKYJBQB-UHFFFAOYSA-N	324.306	3.725	50	20	DHGD	
CCc1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)s1	181121380	FZEMDOCHOBNZLB-UHFFFAOYSA-N	303.431	3.760	50	20	DHGD	
COc1ccc(C(=O)NNc2ccccn2)cc1-c1ccccc1	181180080	BIVNTACVUFHACN-UHFFFAOYSA-N	319.364	3.514	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCS2)cc1	181646513	DGKAHGQFEXLDDN-CQSZACIVSA-N	307.463	3.506	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCCc3c(O)cccc32)c1	190820609	OWSQFJMXIDBEDR-QGZVFWFLSA-N	310.397	3.572	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1	191754154	UWRQCFADSMLHON-LFIBNONCSA-N	315.394	3.944	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3cc(Cl)ccn3)CC2)c1	272403903	CGBPNABPRZEVLF-UHFFFAOYSA-N	315.804	3.527	50	20	DHGD	
C[C@H](C(=O)N1CC=C(C#N)CC1)c1ccc(Cl)c(Cl)c1	272666100	IXLCCQIKIIJZAQ-JTQLQIEISA-N	309.196	3.779	50	20	DHGD	
Cc1cccnc1NNC(=O)CCCc1ccccc1Cl	290326746	CDWNRGLIZWQYNX-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(c2)CCCC3=O)c1	293352776	LAMGCTYKFPOGCQ-UHFFFAOYSA-N	308.381	3.579	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCC1=CCCCCC1	588609120	XFZIDVUFQJASKU-LGMDPLHJSA-N	310.397	3.696	50	20	DHGD	
BrC[C@@H](CN1CCc2sccc2C1)C1CC1	701846310	UMJFOOHFFHQYOJ-LBPRGKRZSA-N	300.265	3.527	50	20	DHGD	
CC[C@@H](CC(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	730289188	BATIHUIMQFYVLK-HNNXBMFYSA-N	319.408	3.684	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ccc(F)cc3F)oc12	733364841	QBDKYQOUQKJSTC-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
Cn1ccc2c(C(=O)NNc3nccc4sccc34)cccc21	734250161	OUHJRVIVLNERRX-UHFFFAOYSA-N	322.393	3.545	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=CC1CCCCCC1	741837602	MSRMYAKXGFEXLO-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(OC)c(OCCC(C)C)c1	747611843	XNYFJXJTHOVPTL-AWEZNQCLSA-N	320.433	3.616	50	20	DHGD	
O=C(NN=Cc1csc(C2CC2)n1)c1ccc(Cl)cc1F	747646337	PFCZAKWGZJKBBZ-UHFFFAOYSA-N	323.780	3.577	50	20	DHGD	
Cc1cc(F)ccc1C=NNC(=O)Cc1ccc2ccccc2c1	750934661	NCNWGMLBKWPHHV-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
Cc1cc(NNC(=O)C23CCC(CC2)C3)ccc1Br	752635235	ZUFJLBULCPUPQA-UHFFFAOYSA-N	323.234	3.781	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)c1cnn(-c2ccccc2)c1	752733909	KWWUKLMDTJBNAI-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2cc(C)ccc2F)ccc1F	757142506	NTUDWIVIVTTWMO-UHFFFAOYSA-N	318.323	3.623	50	20	DHGD	
Cc1nc(C)c(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)o1	757424997	GQLSOTQATAHWKO-UHFFFAOYSA-N	312.281	3.572	50	20	DHGD	
CC(=O)NN=Cc1ccccc1Oc1ccc(F)cc1Cl	763406098	BICLQJAOIRFHDE-UHFFFAOYSA-N	306.724	3.741	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(F)cn1	763835378	YCIRZCWFZMGCLY-ZDUSSCGKSA-N	314.451	3.551	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2CCC[C@@H](C)C2)cc1	768359151	AKUIHHAFRIVGAP-GDBMZVCRSA-N	302.418	3.556	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C1CCC(C)(C)CC1)c1ccccc1	768567951	AVNKNPCXMYBJKI-INIZCTEOSA-N	316.445	3.544	50	20	DHGD	
CCNC(=O)N(C)N=Cc1ccc(-c2cccs2)cc1F	769593863	SBJNZRFEEOIISK-UHFFFAOYSA-N	305.378	3.549	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1C	771529783	JHYYYYNEBCWFKG-LFIBNONCSA-N	319.360	3.865	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCc2c(Cl)cccc21	775781250	GBODLFJCIYWJTH-LLVKDONJSA-N	322.742	3.791	50	20	DHGD	
Cc1ccc(F)cc1C=NNC(=O)Cc1cccc2ccccc12	777882147	OEIIIAWTUDGQTN-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
CCC1(C(=O)NNc2ccccc2OC(F)(F)F)CCCC1	779207281	OCGVRUMKUDZPCV-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc2cnccc2c1	779753100	VGUHRLCJLTVNRK-LLQVOFOBSA-N	319.408	3.837	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1OC	781098465	APDKIQGWXRNSON-GZTJUZNOSA-N	307.349	3.832	50	20	DHGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)c1ccccc1F	782218926	LBXFJPXQTYRQSA-UHFFFAOYSA-N	313.307	3.518	50	20	DHGD	
C[C@H]1C(=O)CC[C@H]1CC(=O)NN(c1ccccc1)c1ccccc1	792938281	ATZBQRKKEVLPCQ-CVEARBPZSA-N	322.408	3.861	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2c(F)cccc2Cl)cc1C=O	793838236	HRKBDHZTDWUWCC-UHFFFAOYSA-N	320.751	3.665	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](c1ccccc1)C(C)C	795530779	YCSBZTNJWFPPFF-AWEZNQCLSA-N	311.219	3.921	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC1CC1	797398192	LUYGLVOGLJOBIY-ZSOIEALJSA-N	318.804	3.562	50	20	DHGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)Nc2ccccc2)CC(C)(C)C1	801990314	DWZGHCAQXIAMMY-ZIAGYGMSSA-N	317.433	3.692	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccc(OC)cc1OC	807969775	LOMBCYLUGBHQIJ-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(Cl)n1	812769609	OZBJFKQEZYNLRB-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1cccc(C2CC2)c1	814840010	BOJISGAHKQKPFN-UHFFFAOYSA-N	322.408	3.743	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(Cl)cc2)cc1	814997795	GQTSOTQTJAHOEG-UHFFFAOYSA-N	303.749	3.504	50	20	DHGD	
O=C(NN=Cc1ccc2oncc2c1)Nc1ccc(Cl)cc1	815004264	CJCUDBPDQYPTNY-UHFFFAOYSA-N	314.732	3.637	50	20	DHGD	
C=CCC1(C(=O)NNc2oc(C(C)C)nc2C#N)CCCCC1	822858233	DLKGETLFKOIISX-UHFFFAOYSA-N	316.405	3.639	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC[C@H]2CCCO2)cc1	834675095	BARIVMRZYOHYLI-JBXOJTMHSA-N	313.397	3.767	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc3c(s2)CCCCC3)C[C@@H](C)O1	834933549	CWECYJSAGXLZOJ-TXEJJXNPSA-N	320.458	3.690	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842250497	JFBQPRPQBSKUIY-NSHDSACASA-N	311.357	3.639	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1CC(c2ccc(F)cc2)C1	848084024	TUXPXRHXQCQDSJ-UHFFFAOYSA-N	304.192	3.581	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccnc(Cl)c2)sc1C	855469355	BWTKVHCMGKSQOJ-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)c1ccn(C2CCCC2)n1	855618689	NSNYAJQZGUSBKF-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
Cc1cc(CNC[C@]2(C)C[C@H]2Br)cc2cccnc12	856808697	DDURXJBQJXTMEM-ZBFHGGJFSA-N	319.246	3.806	50	20	DHGD	
CC[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(C#N)cc1	857081551	GTSDDIAPJMNACA-KKUMJFAQSA-N	307.235	3.772	50	20	DHGD	
CCCO[C@@H]1CCCN(C[C@H](CBr)C2CC2)CC1	859135609	XJQIVLCSZUOUGH-LSDHHAIUSA-N	318.299	3.689	50	20	DHGD	
CC[C@@H](NC[C@H](CBr)C1CC1)c1nc(C)cs1	859247364	ULOSLEXKIWAEBZ-NWDGAFQWSA-N	317.296	3.913	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2ncccc2C)cc1C	861624389	RKDIGEXAZFGINX-UHFFFAOYSA-N	314.389	3.636	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(F)cc2Cl)CCO1	885137342	UQVWBMROMVSFEL-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(C)CCC(C)C)cc1OC	916347714	HYDZDUSEJVABFI-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
COc1cccc(NC(=O)NNc2ccccc2Cl)c1OC	916969377	QDMUMDUUFFAVNT-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ncoc2C(C)C)cc1	1319743789	VWQMBOSPEMEVNJ-OVCLIPMQSA-N	310.353	3.757	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2ncccc2C)c(Cl)c1	1347079232	DJOCZGKIEBQWNF-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
CC(C)c1csc(CNC(=O)C2CCC(Cl)CC2)n1	1521260356	GXHPQBCFUPPDKO-UHFFFAOYSA-N	300.855	3.680	50	20	DHGD	
CCc1cccc2c(/C=C(/C#N)C(=O)NCc3ccco3)c[nH]c12	33472268	XSKXJBBZJLYZRQ-ZROIWOOFSA-N	319.364	3.547	50	20	DHGD	
C[C@H](CC(=O)NNc1ncccc1Cl)c1ccccc1F	114883014	CCANCLRHJBDADW-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)nc2ccccc12	120069915	OTOGDXXOLIBZTJ-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2cc(C)ccc2F)cc1	150816849	LWOXRGLIZIRHIY-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2cccc(F)c2)CCCC1	153292871	WFAKBCSQWVWYJT-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1	158823418	NSAXKMLOQAYCKX-NZCCEVMUSA-N	320.392	3.531	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@]2(CCc3ccccc32)C1	255066969	BTIWEAOHYRRDDJ-TUJQNWBVSA-N	316.404	3.725	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1ccc(F)cc1F	255589447	ORDWCLVBOLRNIO-LUAWRHEFSA-N	318.323	3.520	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(OC)cc1	295261348	NOWQXLGZLYTZFL-UHFFFAOYSA-N	313.401	3.533	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@@H](C)C2)c(C)n1CC(C)C	725725540	KMXYJZBDMFOWHC-UHPUNMKFSA-N	313.445	3.536	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1ccc(C(F)(F)F)cc1	728293789	INCYJOYKDQHJAS-UHFFFAOYSA-N	322.286	3.565	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)c2c(c1)C[C@@H](C)O2	728438386	VZTBNTJBHBWMAV-ZLYHGVDXSA-N	319.360	3.808	50	20	DHGD	
C[C@@H]1CCCC1=NNC(=O)c1ccc(COc2ccccc2)o1	729143954	OTHISEVMHIKPEJ-CYBMUJFWSA-N	312.369	3.764	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](CC(C)C)c1ccccc1C	732747556	QPMVFENMWWDDAA-MLRPBERTSA-N	300.402	3.642	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2ccccc2C2CC2)cc1	751131521	WJBWNYDIUJWBGG-UHFFFAOYSA-N	322.408	3.656	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2C)c(C)n1CC(C)C	751991510	SSNXHAPWYPODNE-KPYNCUPYSA-N	313.445	3.679	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@H](c1ccccc1)C1CC1	766174306	NWVCOMCXNCTUDU-MRXNPFEDSA-N	323.421	3.933	50	20	DHGD	
COc1cc(/C(C#N)=C/c2ccc(F)cc2F)ccc1[N+](=O)[O-]	766778393	KBYHGJACMVXXJI-WUXMJOGZSA-N	316.263	3.946	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCC(C)(C)C2)o1	767779242	IRYVHRWQZVMMPH-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
Cc1cnccc1C(=O)NN(Cc1ccccc1)c1ccccc1	769723025	JBUDEVRFCXZXOK-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
O=C(NN=C1CC[C@H]1c1ccccc1)c1cc(Cl)ccc1O	769777464	KMJDLTJVTJBLFR-ZDUSSCGKSA-N	314.772	3.709	50	20	DHGD	
C[C@H](CBr)COC(=O)/C=C/SCc1ccco1	770395662	HLABLQRMPBMMKE-DFVUYQKZSA-N	319.220	3.601	50	20	DHGD	
C[C@@H](CBr)CN1CC=C(c2ccc(O)cc2)CC1	770645101	HHHIKTTZCOXPSH-LBPRGKRZSA-N	310.235	3.512	50	20	DHGD	
C=CCN(Cc1ccccc1F)C[C@H](C)CBr	770647801	MGZHHNHIZWOWAR-GFCCVEGCSA-N	300.215	3.845	50	20	DHGD	
CS[C@@H](CNC(=O)NNc1c(C)cccc1F)C(C)(C)C	771342813	QOQGFOYGSIZQQW-LBPRGKRZSA-N	313.442	3.538	50	20	DHGD	
N#CSCCCNC(=O)CCc1ccc(Cl)cc1Cl	773572513	SBEAPZAACXHEOS-UHFFFAOYSA-N	317.241	3.647	50	20	DHGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCCCSC#N	773589550	YZMMJBXURYDKEH-CQSZACIVSA-N	319.474	3.786	50	20	DHGD	
O=C(NN=CCSCc1ccccc1)c1cccc(Cl)c1	774332781	AGZNOVADVHKTJJ-UHFFFAOYSA-N	318.829	3.989	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2Cl)nn1[C@H](C)C1CC1	777418598	RZTSOJUEHOZLOH-LLVKDONJSA-N	318.808	3.573	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1ccc2ccccc2n1	777463816	SQDPKRQWFVSSJH-INIZCTEOSA-N	320.396	3.569	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1cc(Cl)ccn1	778448818	OOTCDDVJPZZTSY-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)c2ccccc2O)C1	780188579	NLZXGXNZJQOCDC-LJQANCHMSA-N	308.381	3.620	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780604472	MDIRDEVCEFCAPD-VHSXEESVSA-N	313.323	3.702	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(F)cccc2F)c(Cl)c1C	783589346	KGYPMICMCISJEI-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
CCCCC[C@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	787442711	MTAOKDMRABUWQJ-MAUBAPBLSA-N	312.413	3.870	50	20	DHGD	
CSSCCNC(=O)c1csc2c1CC[C@@H](C)C2	791116514	MEWLRFHOJCUXNE-SECBINFHSA-N	301.502	3.614	50	20	DHGD	
Cc1cnc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(C)c1	791732019	HRSCNEKMGJSBLN-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC2(CC1)CC2	792629907	CJFKYKHBIDNYGD-UHFFFAOYSA-N	306.793	3.789	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	797316816	BDZLKCLHPNPMKW-KAMYIIQDSA-N	322.355	3.891	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1OC	798230573	RXINCNUQXSESLN-DHDCSXOGSA-N	309.321	3.643	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)c3ncccc23)cc1	801176078	PKWNQXGGWXUXPP-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C(C)C)oc1C	803717674	GEDJAVRJHCQVJN-UHFFFAOYSA-N	301.180	3.819	50	20	DHGD	
O=C(NNc1ncccc1F)c1sccc1-c1ccccc1	804217264	VXCQTBYRLNXBJK-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
C#Cc1ccccc1CC(=O)NNc1c(Cl)cccc1Cl	810561958	CEHJWHBJNZNFNN-UHFFFAOYSA-N	319.191	3.661	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)c2c[nH]c3ccccc23)c1	814699499	NXXBSNFICVJFDU-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1F)c1ccc(Cl)c(N)c1	814700395	TYKIWQCLIGROOJ-UHFFFAOYSA-N	319.767	3.605	50	20	DHGD	
CCCC(=NN(C)C(N)=O)c1ccc(Oc2ccccc2)cc1	814891294	RTNABDVESUGROJ-UHFFFAOYSA-N	311.385	3.994	50	20	DHGD	
O=C(CC1CC1)NN=CC(Cc1ccccc1)Cc1ccccc1	814988278	YWWBMRUPXSUDNX-UHFFFAOYSA-N	320.436	3.990	50	20	DHGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1cccc(Cl)c1Cl	828559544	BCIZBTHKQKSJCV-APPZFPTMSA-N	320.245	3.514	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(OC)c2ccccc2c1	834400222	BFJVLIMQMPDBDF-WJDWOHSUSA-N	308.381	3.672	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(F)cc1F	839424423	OLRJOABWBPSUCH-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)Nc1cc(F)cc(F)c1	842535146	DAUXAEKVECTOCA-UHFFFAOYSA-N	303.259	3.652	50	20	DHGD	
C=C(CBr)COC(=O)CCCc1ccc(F)cc1	848843097	KBRUAPUXRJXOKO-UHFFFAOYSA-N	315.182	3.643	50	20	DHGD	
Cc1cc(C)c([C@H](C)NC[C@]2(C)C[C@@H]2Br)c(O)c1	857082871	REAOQYMIMWXPTN-WHOFXGATSA-N	312.251	3.833	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NC[C@@]1(C)C[C@H]1Br	857398540	RXSOTVGKVWUYPM-IIAWOOMASA-N	324.262	3.545	50	20	DHGD	
N#CC1(CC(=O)NNc2cc(Cl)ccc2F)CCCCC1	871269490	DITSSOCHGJEWPP-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1F)[C@@H]1CCCC(F)(F)C1	871271453	PGGHFVPFJQWVSM-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
CC(C)(C#N)C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891544715	DBWJETGWAFZJEO-CYBMUJFWSA-N	310.514	3.549	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CC(F)(F)F)C1	912581030	XMOCUGWCNLXOBE-SNVBAGLBSA-N	311.420	3.562	50	20	DHGD	
Cc1ccc(NNC(=O)COc2cc(C)ccc2C(C)C)cc1	912596642	QQIRBUACUMZIRT-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CCC(=O)NN=Cc1sc(Nc2ccc(C)cc2)nc1Cl	915916573	JREGCISLGMHHTL-UHFFFAOYSA-N	322.821	3.709	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)C(=O)c1ccccc1	917143563	KMWMDNNCKWNMHH-WOJGMQOQSA-N	311.344	3.933	50	20	DHGD	
O=C(NN=C[C@H]1CCOc2ccccc21)c1ccccc1Cl	1318981399	MHUZVSUQNUQNIE-GFCCVEGCSA-N	314.772	3.622	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	1330060241	WILLCDVQDCNNBK-IZZDOVSWSA-N	320.270	3.879	50	20	DHGD	
CCn1cc(COC(=O)CCCC[C@@H]2CCSS2)cn1	1346339228	SMJWYOATTAKOHV-CYBMUJFWSA-N	314.476	3.660	50	20	DHGD	
CCc1nc([C@@H](C)NC(=O)C2CCC(Cl)CC2)cs1	1348831673	UUGIIAUPNPDCMU-KPPDAEKUSA-N	300.855	3.680	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cccc(C(=O)O)c1F	1593904296	APWURNBMAFGFLL-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccnc2c(C(=O)O)cccc12	1605010519	LULINLDDECPRBX-GXDHUFHOSA-N	322.364	3.845	50	20	DHGD	
COCC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	112314057	YIMFGIYZGDDUMG-AWEZNQCLSA-N	317.520	3.586	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)c1	176754485	PMXQHJOGULJWPY-MSOLQXFVSA-N	317.392	3.790	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)ccc1Oc1cccnc1	112224257	AXRYDZVZXDCKPP-YBEGLDIGSA-N	321.380	3.614	50	20	DHGD	
C[C@@H](CC(=O)c1cccs1)NC(=O)c1cccc(CCl)c1	1346931925	AHHDSDBIXMZNMZ-NSHDSACASA-N	321.829	3.878	50	20	DHGD	
N#C/C(=C\c1cnc2ccccn12)C(=O)Nc1ccccc1Cl	133164851	XOTSWXJBOJNSRE-FMIVXFBMSA-N	322.755	3.533	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cccc3nccn23)ccc1[N+](=O)[O-]	255866163	HDPDRAFCXLCQSW-UVTDQMKNSA-N	304.309	3.615	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)[C@@H](C)CC)cc(Cl)c1O	263718362	XRUXPVRAYYFDCS-PQTFEYQYSA-N	307.777	3.966	50	20	DHGD	
Cc1ccccc1[C@H](NC(=O)NNc1ncccc1F)C(C)C	805107438	SYEQVGZRFCWYCC-OAHLLOKOSA-N	316.380	3.553	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@@H]1C[C@@H]1c1cccc2ccccc12	804768190	RDMMMFQFJXUCEG-HZPDHXFCSA-N	321.355	3.621	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CC1(C)CCCCC1	805381758	JOGRDIZSAJVICV-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CC(C)O[C@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	814268950	MMUNNNVOGTXCLW-INIZCTEOSA-N	318.804	3.949	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCC(=O)C[C@H]1C	812765781	UUBQCCKUUXAJAY-CZUORRHYSA-N	302.418	3.567	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3nc(C)ccc3c2)cc1	817895497	AWAWPLAMKRNGJO-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)C12CC3CC(CC(C3)C1)C2	729636207	XADPQPCALPSSDK-UHFFFAOYSA-N	316.470	3.999	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(F)c2F)c(C(C)C)n1	827526207	MKIBMGANVUADOC-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
CCCCn1ncc(NC(=O)NNc2ccc(C)c(F)c2)c1C	822051791	XMFUOKYHSQTGAM-UHFFFAOYSA-N	319.384	3.588	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(F)c2F)c1	490610894	NTAVNGZHNSPVKL-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@H](Cc2ccccc2)C1	588387948	PWRAMBMIGTXIAT-DKLCPLSMSA-N	322.383	3.634	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(-c3nn[nH]n3)cc2)n1	820197822	NSRKMEAQXFNMBT-NTUHNPAUSA-N	322.397	3.511	50	20	DHGD	
C[C@]1(C(=O)Nc2cccc(C(F)F)c2)C[C@H]1Br	906500996	KBKZBDCHMHSWOA-SKDRFNHKSA-N	304.134	3.736	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(OCC#N)cc3)[nH]c12	735669414	MOICPKWJXRHJSD-PTNGSMBKSA-N	314.348	3.838	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CCC[C@H]1c1ccccc1	732528787	YYLBNHIINILTMV-KRWDZBQOSA-N	322.408	3.678	50	20	DHGD	
COCc1ccccc1/C=C(C)/C=C(/C#N)C(=O)NC1CCCC1	491079822	BSFKTRNUTBWXTG-YGPCBGHTSA-N	324.424	3.745	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)cc1	830776692	SQTPIANXXLOFRK-PKOBYXMFSA-N	319.408	3.660	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C(=O)c2ccc3c(c2)CCC3)cc1	837056401	OVZQGRSBEMMQIT-UHFFFAOYSA-N	322.408	3.625	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cc(F)c(F)cc3F)CC2)c1	734552557	WXZIWCWTBGJCPP-UHFFFAOYSA-N	320.314	3.587	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccccc1)c1ccc(Cl)cc1	734269381	IXWIGEWZDAASCE-UHFFFAOYSA-N	317.820	3.944	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C(F)(F)c2nccs2)cc1	837058741	PIJRAIXVKNVQIO-UHFFFAOYSA-N	311.357	3.502	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H](O)C(C)C	839861856	LKNUKRBOGSKUJI-YDHLFZDLSA-N	319.536	3.612	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccccc1)O[C@H](C)C2	916545345	GJAPQWOZNDKBDR-LFMVTYOGSA-N	319.360	3.808	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)c1cccc(Cl)c1	742473102	YBWCHXDYVGRCBZ-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
CCC[C@@H](CCc1ccccc1)NC(=O)NNc1ccccn1	743638181	PHVUPCQBPLVWCW-INIZCTEOSA-N	312.417	3.509	50	20	DHGD	
CC(C)[C@H](C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387970	CLCYIZHZFSMKRW-VIFPVBQESA-N	324.837	3.594	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ccc(Cl)nc3)oc12	743816880	WLKQCPIYIKNHNR-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCCc2csc(C)n2)c(C)c1	750239375	LMRAUFVKFJTKHN-UHFFFAOYSA-N	317.458	3.843	50	20	DHGD	
CCOC1CC(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)C1	852525344	XZKGHFYZNKVENU-PCKAHOCUSA-N	313.558	3.898	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=CC[C@@H](C)c1ccccc1	755507171	QJYADNVQUAWNMP-CQSZACIVSA-N	320.396	3.552	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(Cl)cc2C)cc1C	928340613	WRUIBLWTFSPTRD-LLVKDONJSA-N	320.824	3.881	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@]1(C#N)CC12CCCC2	928336741	AWQZZFICXWMBDJ-INIZCTEOSA-N	303.793	3.566	50	20	DHGD	
O=C(NN=C[C@H]1CCc2ccccc21)c1cccc2ncccc12	755698242	BHIXDPMFCNDELV-OAHLLOKOSA-N	315.376	3.680	50	20	DHGD	
N#CC[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	855260236	UGADDZWDWSCKTI-KBPBESRZSA-N	312.504	3.853	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCCC(C)(C)C1	755840936	KXHLMWZXDRIHAD-NSHDSACASA-N	307.346	3.725	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)Cc1ccccc1F	764909671	KACKSFRKEUGISL-UHFFFAOYSA-N	304.390	3.555	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc2ccsc12	768717535	ZNYXOSOLFNCFCO-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(F)c1F	771136818	PSZXRFWHZMPZIQ-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
Cc1ccc2[nH]cc(C(=O)OC[C@H](C)CBr)c2c1	770416291	VVMCENHUINOSES-SNVBAGLBSA-N	310.191	3.664	50	20	DHGD	
Cc1ccc(NNC(=O)C2(CCOCc3ccccc3)CC2)cc1	771722858	LKFZRRYVQAAXOQ-UHFFFAOYSA-N	324.424	3.825	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)C1(c2ccccc2)CCCC1	774308913	IQFDPFVNGHVODG-UHFFFAOYSA-N	321.424	3.887	50	20	DHGD	
COc1cc(C(=O)NN=C2CCC(C)(C)C2)ccc1OC(C)C	783809225	ARQZPFHFITVYSH-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
N#CCC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	782054485	CCDOLVAAUNZNLI-CQSZACIVSA-N	312.504	3.853	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(OC(F)F)c2)[C@H](C)C1	783844483	AEDNYVVQYBYSIZ-WDEREUQCSA-N	310.344	3.830	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1c(Cl)ccc2cccnc12	786667606	XUBHSBIOHDBQJZ-MDWZMJQESA-N	312.756	3.791	50	20	DHGD	
Cc1cc[nH]c1C(=O)NN(Cc1ccccc1)c1ccccc1	797799477	JOTAUKLJKJQLCJ-UHFFFAOYSA-N	305.381	3.675	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](SC)c1ccccc1	795523037	XFEASTLYYIIAFX-LBPRGKRZSA-N	315.232	3.585	50	20	DHGD	
C=C(CBr)CN1CC=C(c2ccc(F)cc2)CC1	791441266	JLESCNGDOFNEBQ-UHFFFAOYSA-N	310.210	3.866	50	20	DHGD	
C[C@@H](CBr)CN(C)Cc1ccc(Cl)c(F)c1	688925692	MGCCUZZAGMAELA-VIFPVBQESA-N	308.622	3.942	50	20	DHGD	
CSSCCNC(=O)c1cc2c(s1)CC[C@@H](C)C2	791100894	XWWNYXWLJQYRLZ-SECBINFHSA-N	301.502	3.614	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(F)cc2)c1	794875740	YNRSYNYWDRHKTJ-ZROIWOOFSA-N	311.360	3.924	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1c1cccc(N(C)C)c1	791471533	RQDFOTTWEYQVQK-MRXNPFEDSA-N	323.278	3.841	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccsc1Cl	790150690	QBJDANFHAKQNRH-UHFFFAOYSA-N	317.801	3.576	50	20	DHGD	
COc1ccsc1C(C)=NNC(=O)c1ccccc1Cl	1320451440	PGBROOYMQJKUCF-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccn2C2CC2)c1C	1327377089	WNOOPNBBNMVZKH-RVDMUPIBSA-N	305.381	3.986	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1	1326050160	RLXUZIDKTDJDPJ-WJEYQPDNSA-N	315.398	3.824	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cn1cc(C)c2ccccc21	1320056241	QTNIUNGJRWFIMH-UHFFFAOYSA-N	311.360	3.541	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2c(F)cc(C(=O)O)cc2F)sc1C	1777489271	SSHUIVNDWOPBPM-XCVCLJGOSA-N	320.320	3.801	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnc(C(C)(C)C)s1	161024584	NACKJXIATFWWKI-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
CC[C@H](NNC(=O)c1cccc2ncccc12)c1ccc(F)cc1	160895976	SFMUNHWTLGQJDS-KRWDZBQOSA-N	323.371	3.760	50	20	DHGD	
CC[C@H](NC[C@H](C)CBr)c1ccc(OC)cc1	152763608	PDLAJXBSYWQBHF-RISCZKNCSA-N	300.240	3.767	50	20	DHGD	
O=C(Cc1ccc(C(F)(F)F)cc1)NNc1cccc(F)c1	154878412	LIIBFACKNHMAMI-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	17473317	FGGKAOQHIDYHNX-CSKARUKUSA-N	302.786	3.764	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cscn1	63450999	IHBDGEIAVFARNC-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
Cc1cccc(NNC(=O)c2c[nH]c(=S)n2-c2ccccc2)c1	66777994	XSASTGJHGSYLGB-UHFFFAOYSA-N	324.409	3.600	50	20	DHGD	
CC[C@@H](NNC(=O)c1cccc2ncccc12)c1ccccc1	112545172	SAJZWSDAZYRXCI-QGZVFWFLSA-N	305.381	3.621	50	20	DHGD	
Cc1ccccc1NNC(=O)c1ccc(F)cc1Br	123085286	KSGWCVKCABDVEC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	126671275	YBAUENGGEZNUAX-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
O=C(NNc1ccccc1)c1csc(-c2ccc(F)cc2)n1	132314991	GFPJBTXPQAUMFQ-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1F)c1cccc(Cl)c1	153355323	SSOLVWUHSIEDLZ-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc2cc[nH]c12	175217628	WFEQYHRGQHZCGO-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)c1ccc(Cl)cc1F	179608237	RSGUUEWHOOHOFP-YRNVUSSQSA-N	301.704	3.975	50	20	DHGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1ccccc1F	198300708	UYLQXCRFJRAXQT-GDNBJRDFSA-N	320.323	3.690	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)cc1	252467563	SAOIOEHRKYAQBI-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc(Cl)cc1	255037502	FDQWCOYWKNGNMC-ZROIWOOFSA-N	314.747	3.702	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(C#N)c2)cc1	490550055	LSQQMVQMPBXSMA-BOPFTXTBSA-N	301.349	3.666	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cnn(C(C)C)c2)c1C	732804544	PBTQARUAKUPBHP-MFOYZWKCSA-N	322.412	3.858	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1nccc2sccc12	734246955	OLQYPEAJOQVTHE-SDDRHHMPSA-N	301.415	3.566	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)c(C)s1	734551615	IGCWMMNSCUCETC-UHFFFAOYSA-N	300.305	3.539	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1occc1Br	735226824	BPDVZSWMLDCAEN-UHFFFAOYSA-N	322.162	3.506	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cnc2ccsc2c1	742042876	UJLDWLCPNLGMLC-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1cc(Cl)ccc1Cl	745823523	VGAFWDODWNSWCZ-URLRMUCDSA-N	313.184	3.615	50	20	DHGD	
COCCC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)C(C)C	756823688	LSJCPBMFJCXBFX-GFCCVEGCSA-N	322.474	3.651	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H]1c1ccccc1	767032528	NTEIMRCQYZSDPD-CHWSQXEVSA-N	310.235	3.770	50	20	DHGD	
COc1ccc(NNC(=O)C(C)(C)c2ccccc2Cl)cc1	769019460	JQPMUMMEJJSTCL-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
C[C@H](CBr)CNC1(c2ccc(F)cc2)CCC1	770665397	DLUPRKYTWLMXQR-LLVKDONJSA-N	300.215	3.826	50	20	DHGD	
Cc1ccc(SCCC(=O)NCCCSC#N)cc1C	773584286	DMPKDSMFWMSEMP-UHFFFAOYSA-N	308.472	3.506	50	20	DHGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNc1ccc(F)cc1	775765691	LHGBKFGPTTYJHX-LBPRGKRZSA-N	319.384	3.778	50	20	DHGD	
Cc1ccc(F)cc1C=NNC(=O)c1ccc(Cl)cc1F	777889745	XGMWIUNNZDTHTJ-UHFFFAOYSA-N	308.715	3.691	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2ccccc2OC(F)(F)F)C1	779201351	GEOFTHVZDHYXGV-SPQRFVMMSA-N	314.307	3.775	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1cc(Cl)cc(C(F)(F)F)c1	780149094	WFXJLXQMMMARER-ONNFQVAWSA-N	314.694	3.568	50	20	DHGD	
CC(C)c1ccc(SCC(=O)NNc2ccnc(F)c2)cc1	781362239	QESBKGKZTMPKQW-UHFFFAOYSA-N	319.405	3.580	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cc(C)c2ncccc2c1	783705980	MVQSSWQZWZUJTJ-SFQUDFHCSA-N	307.397	3.757	50	20	DHGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	783772803	JPIKYGOCYXDSKC-QWHCGFSZSA-N	303.362	3.527	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC[C@H](Oc2cccc(F)c2)C1	784493756	DTJAZAVIZHLCFH-ABQTWSPHSA-N	308.356	3.843	50	20	DHGD	
COC1(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CCCC1	790151592	OLRHMNHFEGSDNG-LBPRGKRZSA-N	320.458	3.548	50	20	DHGD	
COc1cc(NNC(=O)/C=C\c2ccccc2)ccc1Cl	790186836	LGXPXYIIJQXWRV-YFHOEESVSA-N	302.761	3.505	50	20	DHGD	
COc1cc(NNC(=O)[C@@H]2C[C@@H](C)C[C@@H](C)C2)ccc1Cl	790188363	ZYHQRNZAOXYZSS-GDNZZTSVSA-N	310.825	3.864	50	20	DHGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cccc(C2CCC2)c1	799100042	DZMZLVOAGGVNTQ-UHFFFAOYSA-N	317.392	3.681	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCCSC1	811448073	SIBZHORZWCZUDR-QMMMGPOBSA-N	305.230	3.580	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)/C=C(\C)C(C)(C)C)cc1C	812720302	BIFXURUKJMBGFC-ACCUITESSA-N	318.417	3.607	50	20	DHGD	
CO[C@](C)(CNC(=O)NNc1c(C)cccc1C(C)C)C1CC1	813202783	NHBYTAAFEJIGQE-GOSISDBHSA-N	319.449	3.560	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1cc2ccccc2cc1O	814694223	AHHDTUZBWKQJKV-OAHLLOKOSA-N	308.381	3.841	50	20	DHGD	
O=C(NN=C[C@@H]1CCCOC1)c1cc2c(s1)CCCCCC2	814755161	MNCHVFYWRSYUQI-ZDUSSCGKSA-N	320.458	3.549	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCSCc1ccccc1	816627979	CTSHWLFYGCGJAY-UHFFFAOYSA-N	306.258	3.572	50	20	DHGD	
CCCCSCCC(=O)NNc1cc(Cl)nc(Cl)c1	819743275	MVXIYUXVLKREKD-UHFFFAOYSA-N	322.261	3.755	50	20	DHGD	
CN(NC(=O)Nc1ccc(-c2ccc(Cl)s2)nc1)C1CC1	824332322	ZMUOQODWTVLYKB-UHFFFAOYSA-N	322.821	3.594	50	20	DHGD	
O=C(NNc1cccc(F)c1F)C1(C(F)(F)F)CCCCC1	830830725	ARLPMZJEYKTGAT-UHFFFAOYSA-N	322.277	3.921	50	20	DHGD	
CC(C)(C)Sc1ccc(NC(=O)NNc2ccncn2)cc1	836363859	NFKBGKXYTYVWMU-UHFFFAOYSA-N	317.418	3.516	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H](C)Cc2ccco2)cc1	837554789	HWNRFKMKZHLGRX-CYBMUJFWSA-N	301.390	3.660	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCC(Cl)Cl	837645107	GHGLTMWMQPEZQJ-QWRGUYRKSA-N	300.229	3.896	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCC2CC(F)(F)C2)c(C)c1	838733387	IXFXPOGIBDZVMC-UHFFFAOYSA-N	311.376	3.673	50	20	DHGD	
COC[C@@H](C)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844344967	CNUDAKKCNCLLLB-CQSZACIVSA-N	301.547	3.755	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCSC1	846378934	PKCGUGVZHQOXCN-ZETCQYMHSA-N	324.755	3.555	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1	848083792	OGQIKQAWQUDITQ-WDEREUQCSA-N	306.620	3.706	50	20	DHGD	
CCCOCCOC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	859060668	VOBGYSLUPNRHPD-UHFFFAOYSA-N	319.313	3.690	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccc(Cl)cc1F	885109825	FPKBOKYQKFBSAC-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cc(F)ccc1F	915959430	DQQRXCSXRDSVMS-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1F	1319571136	FOKZGGGUQHFXAZ-ATTDUZETSA-N	324.355	3.619	50	20	DHGD	
CCc1ccc(C(=O)NNc2cccnc2Cl)cc1CC	1319934783	LHFGFUHZRANUCA-UHFFFAOYSA-N	303.793	3.617	50	20	DHGD	
CCc1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	36900563	YGEOACYUJLCBOQ-UHFFFAOYSA-N	323.845	3.831	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2ccccc2Cl)cc1	120736943	JVRFOKQEUZOGOI-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
CC(C)(CC(=O)NNc1cccnc1Cl)c1ccccc1	128405078	HCXHWCRJEZSCRD-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)NNc2cccc(F)c2)s1	154836052	UQBNNGIUPCGDIJ-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
Cc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1F	162630286	VJPNUHCBDJOMMO-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CC(=O)CCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	178081188	ZBEHAHXIJNCSCH-UHFFFAOYSA-N	323.607	3.849	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cccc(F)c1Cl	178517028	MMPRFPADVVKVIQ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc(F)cc(F)c1)C1CCCCC1	179178501	WUDYIBRCFUQMCC-QPEQYQDCSA-N	304.340	3.663	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2ccc3ccccc3n2)cc1C	181146209	ILIUUZAQRBUUQV-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
Cc1cc(Cl)ncc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	183631070	OPOMIFDSCRRCFF-GHXNOFRVSA-N	315.735	3.728	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1cc(Cl)ccc1Cl	184755399	CEXVUGNDGIZCDS-UHFFFAOYSA-N	316.637	3.754	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OCCC)c(OC)c1	206063440	YPKOSXZEPVIMAY-RVDMUPIBSA-N	317.385	3.734	50	20	DHGD	
CCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(OC)cc1	254294988	SIDKOMGMNWREPJ-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)C1CCC(C(F)(F)F)CC1	278494321	WCWXXXKLJJLYAA-UHFFFAOYSA-N	321.730	3.547	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccnc1C(F)(F)F	281712090	HVBZSIINZQBGNO-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
CSSCCNC(=O)c1cc(F)c(Cl)cc1Cl	284245444	WQNLKSKTOQOBTJ-UHFFFAOYSA-N	314.234	3.874	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	588534613	SWZLNJMDVWOKMG-WMZJFQQLSA-N	316.710	3.792	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)ccc1C	588597049	BJJJNMBPKNXXOL-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
CC(C)C[C@H](C#N)NC(=O)CCCC[C@@H]1CCSS1	726559714	NRPJCUVDTWEDHO-CHWSQXEVSA-N	300.493	3.755	50	20	DHGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1cccs1	738540024	FKTLANLUDLKWTL-SECBINFHSA-N	303.412	3.605	50	20	DHGD	
O=C(NN=C/C=C\c1ccco1)Nc1ccc(OC(F)F)cc1	741770424	FEBMZGKWMCLXNZ-RMLADZPLSA-N	321.283	3.702	50	20	DHGD	
COc1ccc(NC(=O)NNc2cccc3c2CCCC3)cc1	747824811	SSACYTHTYMTKPB-UHFFFAOYSA-N	311.385	3.723	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H](C)C(C)C	753168692	JYBVCLRWSQTMEQ-JTQLQIEISA-N	313.239	3.747	50	20	DHGD	
CCc1ccc(CCC=NNC(=O)c2ccc(Cl)nc2)cc1	758114227	YDPJBSUORSKKDZ-UHFFFAOYSA-N	315.804	3.646	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccc(F)c(F)c1	766746606	HVAZYPZHDUBILF-LLVKDONJSA-N	321.161	3.818	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OC/C(Cl)=C/Cl	766747209	WCTDEBOYJISYJF-NGAMADIESA-N	304.011	3.658	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NNc1ccc(F)c(F)c1F	769926750	RQKYCTQREYCIKW-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC3(CCCCC3)C2)cc1	773723795	FPANZMDSTXKIFN-SFQUDFHCSA-N	324.424	3.785	50	20	DHGD	
CCCOc1ccccc1NC(=O)NNc1c(F)cccc1F	775448704	QGQGALCFODGGND-UHFFFAOYSA-N	321.327	3.902	50	20	DHGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1cccc(C(F)(F)F)c1	775882111	MOJBNANDNJASOH-GXTWGEPZSA-N	300.324	3.831	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccccc2Cl)cc1C	778391113	HVEORPUPCFWCPP-JTQLQIEISA-N	306.797	3.573	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)cc(Cl)c1O	781556242	VVODQHRRUYKIFB-SDQBBNPISA-N	305.761	3.720	50	20	DHGD	
CCC(CC)n1ccc(COC(=O)/C(C#N)=C/c2ccccc2)n1	785344502	KSTNDSMWYKAVLX-FOWTUZBSSA-N	323.396	3.895	50	20	DHGD	
CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)/C(C#N)=C\C2CC2)cc1	786668493	GYMQIESUBDTHNB-OMJMQIJPSA-N	311.381	3.784	50	20	DHGD	
CCCc1cccc(C(C)C)c1NC(=O)NNC(=O)C(C)(C)C	788311179	BNGNJBZTTRESDY-UHFFFAOYSA-N	319.449	3.961	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccnn1-c1ccccc1OC	797397879	IAPUXSMOGZWEOW-QINSGFPZSA-N	323.396	3.793	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ncoc1-c1ccccc1	799757274	OVNZABNGNXOXLU-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
CCCN(NC(=O)[C@@H](C)c1cccs1)C(=O)OC(C)(C)C	804592554	CADUZLYOFXQHFZ-NSHDSACASA-N	312.435	3.530	50	20	DHGD	
CC[C@H](NC(=O)NNc1ncccc1F)c1cccc(Cl)c1	804947741	FIMLYPGRJYMOST-ZDUSSCGKSA-N	322.771	3.652	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(F)c1Cl	806771167	ADFJIRFZZBYHTN-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
COCCC1(C)CN(C(=O)CCCC[C@@H]2CCSS2)C1	811579514	GSWRHCGZWJMHSE-CYBMUJFWSA-N	317.520	3.586	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	812242148	NKMJOIMQLQUMCN-UUILKARUSA-N	317.266	3.902	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccsc3C)n[nH]2)cc1	814804721	CEJHCVZSVGZURA-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
N#CSCCCNC(=O)CCc1ccc(-c2ccccc2)o1	816539303	AHDFUYGOXNQBLS-UHFFFAOYSA-N	314.410	3.600	50	20	DHGD	
COC(=O)c1cc(NNC(=O)CCC2CCCCC2)ccc1C	816688391	OXICQHULOHRFQM-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
Cc1cc(C(=O)NN(C)C2CC2)sc1-c1ccc(F)cc1	819647477	MVQXTYGDABJHKN-UHFFFAOYSA-N	304.390	3.602	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)C[C@H]1C	828827898	CNQHITLBYRITPI-MXWKQRLJSA-N	315.339	3.616	50	20	DHGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)CCCC[C@H]1CCSS1	837008378	NJKLQKOMBPQEQH-WHOFXGATSA-N	317.520	3.630	50	20	DHGD	
COc1ccccc1C1(C(=O)NNc2ccc(C(C)C)cc2)CC1	837057237	VJXQRLTZNCGLPS-UHFFFAOYSA-N	324.424	3.994	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@@]1(C)CC1(Cl)Cl	838158982	SBRFNHAFPUELQF-CBAPKCEASA-N	318.038	3.535	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Cc2ccc3c(c2)CCCO3)cc1	843902328	UVPLRSPZYTYZOA-UHFFFAOYSA-N	324.424	3.821	50	20	DHGD	
C=CCCO[C@@H](C)C(=O)NNc1ccccc1Cc1ccccc1	846463767	HMRKNRJRIQLFDW-INIZCTEOSA-N	324.424	3.702	50	20	DHGD	
Cc1cccc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	852524909	PNQYOUFDHBFFAN-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
CO[C@@H](C=NNC(=O)Nc1ccc(Cl)cc1Cl)C1CC1	853352228	MSCMBHNSMPPHKZ-LBPRGKRZSA-N	316.188	3.526	50	20	DHGD	
CC(C)(C(=O)NNc1nc2ccc(Cl)cc2s1)C1CC1	856234749	GBANRMHXKVOKHO-UHFFFAOYSA-N	309.822	3.829	50	20	DHGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNc1nc2ccc(Cl)cc2s1	856235585	BOSDRHFOPPIKNS-WCABBAIRSA-N	321.833	3.829	50	20	DHGD	
C[C@H](NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1)C(F)(F)F	862312753	SXGUVDWPPRHIDD-VQISRLSMSA-N	322.330	3.515	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(Cl)cc1)c1ccc(C)o1	916273466	FOXNTGZTMQQIST-UHFFFAOYSA-N	322.817	3.874	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cccc(OCc2ccccc2)c1	916342712	NJQIKQZMVSFZMQ-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)CC(C)C)cs2)cc1	918710378	LMGCHGMWOMRDQS-UHFFFAOYSA-N	301.415	3.615	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccccc2)c1	920154317	LWIGGSPKMFPLOZ-SWEABUAFSA-N	307.349	3.907	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1116553405	LUYLCFLABWODDW-ZDUSSCGKSA-N	306.454	3.824	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1ncc(Cl)cc1Cl	1116648106	SIXRLVSNFCZRAN-UHFFFAOYSA-N	314.216	3.658	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)Nc2c(C)cc(Cl)cc2C)n1	1337057203	HTWYMSLKHIXRPR-UHFFFAOYSA-N	319.796	3.512	50	20	DHGD	
CCCn1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(C)n1	1337680931	BGRSBOYUJXPCLW-NTEUORMPSA-N	305.385	3.850	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CC23CCSCC3)cc1Cl	1344062451	PSHGMRCYIGOYBW-LBPRGKRZSA-N	310.850	3.625	50	20	DHGD	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@@H](F)Cl)CC1	2088605661	KKUQUGNZZLFOEW-OAHLLOKOSA-N	308.784	3.717	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1	60422067	DZMHEYRPXGMDFH-WQRHYEAKSA-N	319.360	3.880	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C)cc2C)cc1	73116576	RTUXYPVSFHYKHV-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)c1c(C)cc(C)cc1C)c1ccccc1	90563554	LKNQQYWROMKCIR-QGZVFWFLSA-N	324.424	3.567	50	20	DHGD	
Cc1cnccc1NC(=O)NNc1ccc(Cl)cc1Cl	93098712	ZHZNMZLAVBVXBB-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	209239217	LGCHVUWXYKBYQA-VZUCSPMQSA-N	304.396	3.730	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1	248421122	XTCNDIACYRMDSZ-YWVIFJGQSA-N	319.449	3.566	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1CCC(C(F)(F)F)CC1	277677349	CKWVRPCDKXETPJ-UHFFFAOYSA-N	304.287	3.638	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	302914682	UUFDGHJRKDZRPZ-CSKARUKUSA-N	304.802	3.988	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1F	588619098	NQQJRYTYXYFBHL-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(C#N)c1	727944453	GDXDXGVJGBZPNL-GOEBONIOSA-N	300.406	3.543	50	20	DHGD	
O=C(NN=C1CCCOc2c(Cl)cccc21)c1ccccc1	733743228	LAXDWHIXYLOAGI-UHFFFAOYSA-N	314.772	3.647	50	20	DHGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1(C)C	734554577	GSCYWEVXJPMLGD-YMTOWFKASA-N	312.335	3.785	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCN(C)c2ccccc2)cc1	747178199	GJYVVHNPESOAQG-NBVRZTHBSA-N	320.392	3.582	50	20	DHGD	
O=C(NNc1ccccc1F)C(F)(F)c1cccc(Cl)c1	748050705	QYFAFJHJPQNUPE-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
CCS[C@H]1CCC[C@H](NC(=O)NNc2ccc(F)cc2)C1	748967948	LNOCYFFRSOUMMZ-KBPBESRZSA-N	311.426	3.516	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccnc2)C[C@H](c2ccccc2)C1	749853575	PCDCJAKODRWHPM-WMLDXEAASA-N	307.397	3.771	50	20	DHGD	
CN(Cc1ccccc1)[C@H]1CCN(/C(=C/C#N)c2ccccc2)C1	750801411	ZTIAQUXXJUBDDG-JLDPKJTDSA-N	317.436	3.757	50	20	DHGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2cc(Cl)ccc2Cl)O1	752806894	DZXLLNFQLDYAJD-MWLCHTKSSA-N	317.216	3.784	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)c1ccccc1	753174354	RCCPABKFOSBONZ-UHFFFAOYSA-N	319.202	3.768	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc(Cl)ccc2F)cc1	753690691	PLBTYFGDUOJHPG-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
Cc1ccccc1OCCCC(=O)NNc1c(C)cccc1F	771697361	NWHBSRNWGOQJHG-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)C(C)(C)C	777884842	POJQMJGIUKSEJZ-ZRDIBKRKSA-N	301.773	3.874	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c(Cl)c1C	783587124	GIZZKGTYAUFWRE-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)c(C)o1	786106741	PWWPUXCMHXIDSK-OVCLIPMQSA-N	314.772	3.773	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)C1CCC(F)(F)CC1	788713945	MWXHFOCVFNLFTI-UHFFFAOYSA-N	312.335	3.686	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-c2ccccc2)cc1	791212040	NSXSBBAAISAONY-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)NNc3ncccc3C)c2)cc1	791220799	NANKALOTDYGZFZ-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
C=C(CBr)CN(CCc1ccc(F)cc1)C1CC1	791461980	YWHROGIXIAFPAU-UHFFFAOYSA-N	312.226	3.784	50	20	DHGD	
O=C(Cc1cccs1)NNc1cc(Cl)cc(Cl)c1	791733928	YOWQUNRLCXUHJE-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1cc(Cl)cc(Cl)c1)OCC	791734014	ZXQAFTHRZUTLIE-CYBMUJFWSA-N	317.216	3.808	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)n1	794566413	GYTUWDLCLGQESS-INIZCTEOSA-N	307.397	3.519	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-n2ccnc2)cc1	799756399	BYSMTFVSAYZENC-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1nccnc1C1CCC1	805469452	NBUGRULZVMOMOV-UHFFFAOYSA-N	316.430	3.686	50	20	DHGD	
CCC(=NNC(=O)c1ccccn1)C12CC3CC(CC(C3)C1)C2	811628901	NPNJXGLOEWAWQI-UHFFFAOYSA-N	311.429	3.794	50	20	DHGD	
CSc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1	814525598	KGTQAQJHGRZHCN-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
CC(C)CCC=NNC(=O)COc1cccc(C(F)(F)F)c1	814717911	DBPLHLOKNDSVGQ-UHFFFAOYSA-N	316.323	3.622	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2oc(C(C)C)nc2C)c(C)c1	815853337	GHFBAYZXYMQIAA-UHFFFAOYSA-N	301.390	3.789	50	20	DHGD	
C/C(=C\C(=O)NNc1ncnc(Cl)c1C(C)C)C(C)(C)C	816485928	GMIXLYWKZJBFBX-JXMROGBWSA-N	310.829	3.689	50	20	DHGD	
CC(C)c1ccccc1C(=O)NNC(=O)CCCc1ccccc1	825744051	FVHASSIRSIRKAJ-UHFFFAOYSA-N	324.424	3.594	50	20	DHGD	
O=C(CCCC(=O)C1CC1)NNc1c(Cl)cccc1Cl	826970062	GSQWKBYMDWLFLG-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H]1CC[C@H]2C[C@H]12	827185541	AVFGNICMIMQJEH-GVXVVHGQSA-N	323.234	3.637	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CC[C@@H]1CC1(Cl)Cl	832364077	VXTFHLNZDPWNRB-SECBINFHSA-N	305.180	3.551	50	20	DHGD	
C=CCC1(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CCCCC1	836956647	JHZNIPJIWJZWEE-SSZFMOIBSA-N	310.397	3.694	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H]2CCO[C@@H](C(C)C)C2)cc1	838533554	JKBDPWIORPKGPQ-DLBZAZTESA-N	319.449	3.640	50	20	DHGD	
C=CCOCCCC(=O)NNc1ccccc1Cc1ccccc1	846464630	QHAXQDJTTWWVJA-UHFFFAOYSA-N	324.424	3.703	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2cc(F)ccc2C)cc1	855367740	ZYKILLBWPHUWAK-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
C[C@]1(CNCc2ccnc(Cl)c2Cl)C[C@@H]1Br	856808715	DJGOHYNESNKAJC-GZMMTYOYSA-N	324.049	3.652	50	20	DHGD	
C[C@]1(CNC/C=C/c2ccc(F)c(F)c2)C[C@@H]1Br	856810496	YKGWDVXHCBEGPX-AZBIDPCXSA-N	316.189	3.741	50	20	DHGD	
Cc1ccccc1NNC(=O)c1nc(-c2ccccc2)oc1C	865516801	DGVFIGBWYGZDRL-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1nc(-c2ccco2)ccc1=O	882996289	KGGTUMGXYUHKJC-UHFFFAOYSA-N	320.465	3.525	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	916337582	CHTWOGJQPBIYTK-UOJCXKCYSA-N	321.424	3.639	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)cc1	916337892	ICTHYVVBBWJTKQ-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	917214691	REDYEHOZFDGWPX-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)[C@@H](c2ccccc2)CO1	1123729511	LGRYMVQASRJUCF-LHUBUQBQSA-N	321.848	3.773	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)c(C)o2)cc1C	1600328241	WISVBAVRNKWPOF-AUWJEWJLSA-N	309.321	3.693	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)co1)c1nc(-c2ccncc2)cs1	1601045931	RVOJNBJTOIRHJI-VZUCSPMQSA-N	323.333	3.560	50	20	DHGD	
CC(C)(C)C1CCC(=NNC(=O)c2ccc(C(=O)O)cc2)CC1	1776098828	AHISHNWXRDEFFF-UHFFFAOYSA-N	316.401	3.707	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1ccc(F)cc1	8244661	VHENLJFGWVIWPN-MHWRWJLKSA-N	317.323	3.801	50	20	DHGD	
O=C(c1cccc(CCl)c1)N(Cc1ccncc1)C1CC1	37829504	BMSGSPGYNGKXKT-UHFFFAOYSA-N	300.789	3.625	50	20	DHGD	
Cc1cn2c(/C=C(/C#N)c3nc4ccccc4[nH]3)c(C)nc2s1	50934565	FZDKDXOTUFIHNA-GHXNOFRVSA-N	319.393	3.953	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)ccc1O	60422089	FHZKXDGDZHYOFV-CXUHLZMHSA-N	307.349	3.808	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@H]1C[C@H]1c1cccc(Cl)c1	64487548	WNYMABSNTNDIPE-GJZGRUSLSA-N	304.752	3.726	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H](c1ccccc1)c1nccs1	114958338	HUIRAEWTEVEDEB-OAHLLOKOSA-N	324.409	3.559	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCn1ccc2ccccc21	119072598	IPPKIMFXSCCACI-UHFFFAOYSA-N	311.360	3.622	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OC(F)(F)F)cc2)c1	126673778	ZQBCWZUAWODTBK-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CSc1cc(C(=O)NNc2cc(C)ccc2F)ccc1F	128377466	UAEUDKCHADTMRQ-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cc(C(F)(F)F)ccc2F)o1	128585903	IMRNXWMTAQHZDC-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
COc1csc(C(=O)NNc2c(Cl)cccc2Cl)c1	133155930	MDRHASKLSOMKMR-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
CSCCCCC(=O)NNc1ccc(C(F)(F)F)cc1	153606217	GZKKQQKMMMKETG-UHFFFAOYSA-N	306.353	3.682	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccn2Cc2ccccc2)c1	159216717	LHBLXLPJXQQAAF-UHFFFAOYSA-N	319.408	3.910	50	20	DHGD	
COc1cccc(-c2nn(C(C)(C)C)cc2C=C(C#N)C#N)c1	159864709	LELXFHSAWNLLRN-UHFFFAOYSA-N	306.369	3.744	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)nc1	184308311	YPLSRUYVGYLMKE-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
N#C/C(=C/c1cccnc1)C(=O)Nc1cc(Cl)cc(Cl)c1	213362404	RVKWEBPFMFFYJJ-WCIBSUBMSA-N	318.163	3.934	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OC(F)F	263657972	ITQWBUHVSBRWJL-VKRGWIQLSA-N	324.283	3.718	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCCCCCc2ccccc2)c1	727942932	LAZQMVPSFLRPJV-UHFFFAOYSA-N	322.412	3.597	50	20	DHGD	
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)Nc3ccccc3)c2O1	737443795	MJXDLWGWNFUBMI-LFIBNONCSA-N	318.376	3.946	50	20	DHGD	
CCC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)C1CC1	741163928	RGTWZLTVKBTDRS-UHFFFAOYSA-N	313.426	3.645	50	20	DHGD	
Cc1cccc(C)c1OCC(=O)NNc1ccc(Cl)c(F)c1	746698977	RQTMTMIPZHRBEO-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@@H](C)C(=O)c2ccccc2)c1	748401682	WLVHQTQMCGCUJM-OAHLLOKOSA-N	310.397	3.656	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1cnn(-c2ccccc2)c1C	749446645	GJCMHAXZOAMUSK-UHFFFAOYSA-N	324.428	3.601	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	750897168	XPVTXPKRAHUIKM-RAXLEYEMSA-N	312.369	3.763	50	20	DHGD	
CC1=C(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCC1	754147410	MXPJXXFHMHFMPH-UHFFFAOYSA-N	302.271	3.788	50	20	DHGD	
Cc1nc(CC(=O)NN=C[C@H](C)CC2CCCCC2)cs1	758086296	WNGKCDARRDTJNG-GFCCVEGCSA-N	307.463	3.703	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761387938	ZUVFSYWFKUIHFZ-BAQGIRSFSA-N	303.214	3.734	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])CC	764889936	QLUSWVLXHUPKRR-IKJNXXLOSA-N	309.753	3.604	50	20	DHGD	
C[C@@H]1CCC[C@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)C1	767028438	BOXUASNBMYZULT-GRYCIOLGSA-N	304.272	3.833	50	20	DHGD	
CCCc1ccccc1NC(=O)NNc1ncccc1Cl	769952730	ZQAJARDAHWDZEV-UHFFFAOYSA-N	304.781	3.836	50	20	DHGD	
CCCCOc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	775547401	RNCSJBHHVBCTBJ-UHFFFAOYSA-N	324.384	3.886	50	20	DHGD	
Cc1ccc(F)cc1C=NNC(=O)Cc1ccc2ccccc2c1	777882604	COSDKAPZMQNDSO-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
CCC(=NNC(=O)c1ccncc1)c1cccc2ccccc12	780186493	NQGPGHGOXMTRSD-UHFFFAOYSA-N	303.365	3.779	50	20	DHGD	
C#CCCCCCC(=O)NNc1ccc(OC(F)(F)F)cc1	780636003	LGZPAIVGEYFRRH-UHFFFAOYSA-N	314.307	3.612	50	20	DHGD	
CC(C)COCCCNC(=O)NNc1ccc(C(C)(C)C)cc1	780816879	JTXZLIGFNFESRB-UHFFFAOYSA-N	321.465	3.673	50	20	DHGD	
C/C(C=NNC(=O)OC(C)(C)C)=C\c1cccc([N+](=O)[O-])c1	787148287	USDFJXDEIOFXGH-NKMVPJGKSA-N	305.334	3.509	50	20	DHGD	
C=CC[C@H]1N(C(=O)/C(C#N)=C/c2ccc(O)cc2)CCCC1(C)C	787582742	VCLMHMRQSKQKSR-IYICPGQYSA-N	324.424	3.892	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)[nH]1	797406061	AJIXDQBZHJXLLT-YFHOEESVSA-N	315.398	3.619	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	798344708	KJIKSTSZQCEWJU-YIXHJXPBSA-N	315.323	3.841	50	20	DHGD	
O=C(NNc1ncccc1F)[C@H]1C[C@H]1c1cccc2ccccc12	804214477	YNEAOPAUHVHOKV-HOTGVXAUSA-N	321.355	3.621	50	20	DHGD	
CCCN(NC(=O)[C@H](C)c1cccs1)C(=O)OC(C)(C)C	804592552	CADUZLYOFXQHFZ-LLVKDONJSA-N	312.435	3.530	50	20	DHGD	
COc1cc(C)c(NC(=O)NNc2ccccc2F)c(C)c1C	806770544	SNQFGBYKRWICJU-UHFFFAOYSA-N	317.364	3.908	50	20	DHGD	
FC1(F)CC[C@@H](NCc2ccc(OCCCCl)cc2)C1	811484121	PWKOEBSABVBOJF-CYBMUJFWSA-N	303.780	3.972	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1cc(Cl)nc(Cl)c1	819748210	YFJMEJZGGOHLEH-AMIZOPFISA-N	302.205	3.658	50	20	DHGD	
C=CCC1(C(=O)NNc2nccnc2C2CCC2)CCCCC1	832020973	RWRXRZORXXOFHH-UHFFFAOYSA-N	314.433	3.714	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(OC)cc2)c1	834430621	UIAHLXMNMPPAHU-FBKCMUNRSA-N	323.396	3.793	50	20	DHGD	
Cc1nn(C(C)(C)C)cc1C(=O)NNc1ccc(C(C)C)cc1	837052877	MNCPRHXYAFVMBS-UHFFFAOYSA-N	314.433	3.827	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccnc(C(F)(F)F)c2)cc1	837053331	NEGYBKQWAPWXAG-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@H](C)c2nccs2)c(Cl)c1	838551572	ZQOQPJPJVRCTNS-JTQLQIEISA-N	324.837	3.535	50	20	DHGD	
CCC[C@H](OC)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377170	ODXFDWMLQSDTSR-NSHDSACASA-N	324.730	3.617	50	20	DHGD	
Cc1cccc(NNC(=O)CCCC[C@H]2CCSS2)n1	862525078	DMWQGWUTYBQPEQ-LBPRGKRZSA-N	311.476	3.547	50	20	DHGD	
Cc1csc(C(=O)NN=C[C@@H](OC(C)C)c2ccccc2)c1	863156551	FESDTIPFFQKQTK-OAHLLOKOSA-N	316.426	3.938	50	20	DHGD	
CCCCCCOc1ccc(C=NNC(=O)CC)cc1OC	915916591	KCSXRLILJUWNML-UHFFFAOYSA-N	306.406	3.514	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)cc1	916281205	SHBUTQLLQGNHOC-UHFFFAOYSA-N	315.804	3.560	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c(C)c1	916336394	DMYBEDGYMPWEGD-QGZVFWFLSA-N	324.424	3.838	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	920064515	DKTOHBPPTXVNSQ-SSZFMOIBSA-N	312.413	3.831	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H]2CCCC[C@H]2C1	1320270345	CUFSOQXEEVGRMK-RWMBFGLXSA-N	316.283	3.835	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cncn1-c1ccccc1	1341570573	YREAWZOBENWJTD-LSDHHAIUSA-N	324.428	3.804	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCN(C2CCCC2)CC1	1346835802	JWMMMGQPJUYABJ-UHFFFAOYSA-N	320.864	3.516	50	20	DHGD	
C[C@@H]1OCC[C@@H]1c1nnc(CCCC[C@@H]2CCSS2)o1	1349376419	OKDYEKWBIZOTNG-TUAOUCFPSA-N	314.476	3.829	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1OC	1086724	FAIOKYKPSUIHIX-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1[N+](=O)[O-]	8202684	FVRTXTSKOHGAFY-RIYZIHGNSA-N	310.284	3.832	50	20	DHGD	
O=C(CSCc1ccc(Cl)cc1)NNc1ccccc1	70716721	LHIWSERSBOIILK-UHFFFAOYSA-N	306.818	3.717	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)C1CCCCCC1	74042599	IOFPTPHMJJVEPK-UHFFFAOYSA-N	311.857	3.534	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ncccc1Cl)c1ccccc1	114883058	VUVQXNNCERNNNT-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ncccc2Cl)cc1	114883676	ZZOJABYXPGAOJA-LLVKDONJSA-N	303.793	3.544	50	20	DHGD	
CCOc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1O	125437991	HYTFQAZCGBNFHS-QPEQYQDCSA-N	300.383	3.928	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccc(O)c2)c1C	133681972	LNARFHZOWDQEFR-YBEGLDIGSA-N	323.396	3.766	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccc2c(C)c(C)[nH]c12	160979168	JKAJJEYNFCGJAF-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCCOc1ccccc1F	161020464	ZYLNIRQHWWAIBI-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC	172692311	HNVKKHOYWUNPKB-GVIGZQTCSA-N	317.385	3.625	50	20	DHGD	
CSc1ccc(C(=O)NNc2nc3ccccc3cc2C)o1	181299186	NTHWVHCQVOBMLO-UHFFFAOYSA-N	313.382	3.615	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc(OCCF)c1	184503934	BTOCXCLCDGHBDW-UHFFFAOYSA-N	321.327	3.631	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NNC(=O)c2cc3ccccc3o2)c1	186350477	WAIBMXBWDFDDRM-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(-c2nc(C)cs2)cc1	195437343	QIKHGEUZWFWUBS-UKTHLTGXSA-N	313.382	3.501	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OC)c1OC(F)F	263674148	MZGWLSKBQDZQFL-ZDIKFAODSA-N	309.312	3.819	50	20	DHGD	
COc1ccc(NNC(=O)C2(c3ccccc3C)CCC2)cc1	276527527	CQKCZCOIXKUCNK-UHFFFAOYSA-N	310.397	3.569	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1F	490588567	UODXNMOOCNZZBF-YDRQLGOLSA-N	324.355	3.619	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(F)c2C#N)c(C)c1	490974963	OGVBDABWDWSPFR-OQLLNIDSSA-N	319.339	3.860	50	20	DHGD	
BrCc1cc2ccc(Br)cc2cn1	575623926	BFGHQIRNHYAYIR-UHFFFAOYSA-N	300.981	3.892	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(CC)CC)cc1	729433776	UKHBQSAQJGFVQX-WJDWOHSUSA-N	300.402	3.545	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)COc1cccc(C)c1	730946021	BWXDWAHHNFUAOD-UHFFFAOYSA-N	316.426	3.560	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cccc(C)c2C)cc1	734305016	FFOKQDPOOQKDIZ-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CC(C)c1ccc(OCC(=O)NNc2c(F)cccc2F)cc1	735692636	NJRRXFBLYNWVCY-UHFFFAOYSA-N	320.339	3.610	50	20	DHGD	
O=C(COCc1ccccc1)NN=C1CCC[C@H]1c1ccccc1	737438834	KUOORQZJGJRNAK-SFHVURJKSA-N	322.408	3.643	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ncccc1C(F)(F)F	740097768	QGVZITLKEJWAGN-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccccc2)cc(OC)c1O	747033115	OUUCXVROHNNCIK-BOPFTXTBSA-N	319.360	3.919	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1ccsc1	749105113	QXPJHMJJFFQKGO-UHFFFAOYSA-N	308.406	3.984	50	20	DHGD	
CN(NC(=O)NCCCc1ccc(Cl)cc1)c1ccccc1	749715627	VHGOAQOHXNFSCF-UHFFFAOYSA-N	317.820	3.623	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NNc1cc(Cl)ccc1Cl	752812072	STBAVDHPWMQXBK-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1c(NNC(=O)CC2(C)CCCCC2)cccc1[N+](=O)[O-]	753656696	QFSVQYSIUJCFII-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	756011709	CEIWQWVCVYGCRJ-SECBINFHSA-N	300.324	3.763	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	764692648	OSLMQKMOFOGIGK-KRWDZBQOSA-N	324.428	3.804	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)c1cccc2ccccc12	765577757	PUVBYTWVIWGWLL-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
CCO[C@@H]1CCCC1=NNC(=O)c1cc2c(s1)CCCCC2	766432385	RCFSBAITPUPWHU-CQSZACIVSA-N	320.458	3.692	50	20	DHGD	
CC(C)C(=O)NN=Cc1ccc(OCc2ccccc2F)cc1	767110448	USWDDXIDFTVXAN-UHFFFAOYSA-N	314.360	3.511	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccc(C(F)F)cc1	777464773	CCHWJIPYVFPVFK-UHFFFAOYSA-N	313.307	3.929	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)[C@H]1CCCO1	780846250	ZVWHXXSGCLKPMG-JKSUJKDBSA-N	319.449	3.568	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(Br)c(C)c1	780991816	HIJJJVRIWSRPFH-LUAWRHEFSA-N	311.223	3.947	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC=C(C)C)c1C	790999277	DELCHECIMAIUMX-LDADJPATSA-N	313.445	3.894	50	20	DHGD	
Cc1ccc(C(=O)C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791734237	KKBSFKWJAQRHLI-UHFFFAOYSA-N	323.179	3.628	50	20	DHGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)ccc1F)C(F)F	792281576	ZKRBSKAPADKHBW-UHFFFAOYSA-N	314.229	3.579	50	20	DHGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)c1ccoc1	798230148	MGDGASJEJGSGSO-MHWRWJLKSA-N	317.348	3.872	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccnc1NC(C)C	799759302	LPNUEWKGYMXAKL-UHFFFAOYSA-N	312.417	3.530	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)c(C)c1OC	806554332	QHAYKVGXBFPUCW-ZROIWOOFSA-N	311.337	3.704	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(OCC(F)(F)F)cc1)C1CC1	807121670	XOMGWZUCCWHXHC-UHFFFAOYSA-N	316.323	3.507	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1cc(C(F)(F)F)ccn1	832963458	ZNOTYQLAOLWBRL-SNVBAGLBSA-N	315.339	3.760	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2c(C)cccc2Cl)c1C	836932013	ILPZNYGCLPXRTQ-UHFFFAOYSA-N	319.792	3.553	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2ccc(Cl)s2)c1	839389225	CZYHCOJMPAPFJA-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)c1scnc1C1CCCC1	856091236	HOSGDUASSMJZIJ-UHFFFAOYSA-N	322.821	3.606	50	20	DHGD	
CC(C)(C)c1nc(CNC[C@]2(C)C[C@@H]2Br)cs1	856807411	NZBLQVQLWZOFJO-GWCFXTLKSA-N	317.296	3.704	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)CCCc2ccccc2)n1	862522939	MFPVQLULNHRZRB-UHFFFAOYSA-N	311.429	3.882	50	20	DHGD	
N#C/C(=C/c1csc(C(F)(F)F)c1)C(=O)C1CCOCC1	863189567	BRPFAIIWYSMSSN-WZUFQYTHSA-N	315.316	3.670	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(C)C)c1C	914527306	INIAPLPQRYATLA-WQRHYEAKSA-N	315.461	3.926	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2cc(Cl)ccc2O)cc1	916329351	FNOLPGBDTRMQRA-UHFFFAOYSA-N	316.788	3.762	50	20	DHGD	
CCC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(O)cc1	916350702	COLQTFOMMKHTIP-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(C2CC2)nn1-c1ccccc1	916551087	RRQUIRVPSBPOLV-UHFFFAOYSA-N	318.380	3.507	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)cc1	916658755	CUWIOMVIKVUISN-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccccc1	917143564	KMWMDNNCKWNMHH-WQRHYEAKSA-N	311.344	3.933	50	20	DHGD	
Cc1cnc([C@@H](C)NC(=O)NNc2cc(Cl)ccc2C)s1	921346748	PXYNKRINUJPZHG-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
CN(NC(=O)OCc1ccccc1)[C@H]1CCc2c(F)cccc21	1261803095	YTKUHEJXKSYDQF-KRWDZBQOSA-N	314.360	3.586	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H]([C@H]2CCCCO2)C1	1335982593	SOOLEWTUIVNUCK-IAGOWNOFSA-N	321.848	3.847	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)Nc1ccc(Cl)cc1	5068531	BNLZTCOJCUOFOS-NTEUORMPSA-N	307.740	3.757	50	20	DHGD	
O=C(/C=C/c1ccccc1F)NNc1cccc2c1CCCC2	120076214	GLKPBADXUXMUDR-OUKQBFOZSA-N	310.372	3.861	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(F)cc(F)c1	130591599	FGQKIOFFFSNNEE-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
CCCCCCCC(=O)NNc1nc(C(F)(F)F)cs1	152818309	OZDCLMWLRSWMJF-UHFFFAOYSA-N	309.357	3.966	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3cccc(F)c3)csc2C1	154139508	FXWWXGRICVNRST-JTQLQIEISA-N	304.390	3.769	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(C)cc1	154286032	VTRFRCQZHYFYTH-QGOAFFKASA-N	301.345	3.797	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1	174053423	JQINNFWKYHOXMJ-WOJGMQOQSA-N	320.392	3.996	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccc(C(F)F)c1	175474244	CWVAGZDJPMSHCY-UHFFFAOYSA-N	316.229	3.798	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCCCF)c(C)n1CCC(C)C	178079747	DIHCZXSKVPZAKN-GZTJUZNOSA-N	319.424	3.534	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)NNc2ccccc2F)c1	178898606	UJTVCDQDYYMKIJ-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(C)cc2Br)c1	178977968	OXKLPQZHOIGCNH-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2c(F)cccc2[nH]1	184296395	WJIUVXHMWVSASM-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1C1CCCCC1	188226028	LWAGKIFTZYPYCR-XEYRCQSKSA-N	324.424	3.870	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc(C)c1O	206854140	KFVFVVBPUJKLPH-JQFNYASXSA-N	320.392	3.793	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cccnc2C)c(C)c1	255033665	ILQSSJIOQRZBHR-YVLHZVERSA-N	305.381	3.861	50	20	DHGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)Nc1ccccc1	490969094	CXSZWEFFNWJCEV-LCYFTJDESA-N	309.394	3.956	50	20	DHGD	
CCCN(N=Cc1cn(C(C)C)nc1C)C(=O)OC(C)(C)C	495749660	XQZUWHXOHYWOGX-UHFFFAOYSA-N	308.426	3.753	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cccc3ncccc23)c(C)c1	730146421	VRSLOLLJTQEWLC-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1sccc1C	733747832	UIRDNZYLDKCHSP-UHFFFAOYSA-N	300.427	3.875	50	20	DHGD	
O=C(NN=Cc1cccc(F)c1)Nc1ccc(OC(F)F)cc1	741769837	ARQDAQQGTWQRDI-UHFFFAOYSA-N	323.274	3.583	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc2c(s1)CCCCC2	743819011	WXIBDBAUZWTWHF-UHFFFAOYSA-N	321.833	3.822	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1cccc(F)c1	746672879	RWYSOSZODYODGQ-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C#N)c(Cl)c2)C1	753316943	HWTKYZSUQNDODD-NEPJUHHUSA-N	305.809	3.871	50	20	DHGD	
C[C@H](CC=NNC(=O)CCc1ccccc1O)c1ccccc1	755701154	ZNGOSMMSMYEYBJ-OAHLLOKOSA-N	310.397	3.621	50	20	DHGD	
C=CCCC(C)=NNC(=O)Cc1nc(-c2ccccc2)cs1	758104885	QKUPHRCGKYMEJI-UHFFFAOYSA-N	313.426	3.811	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1cccc(Cl)c1	767026683	JMGCFZLCOKXHNA-DOMZBBRYSA-N	310.825	3.769	50	20	DHGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1cccc2c1OCCO2	771529307	DZJDMEDPQFLHFX-PTNGSMBKSA-N	319.360	3.865	50	20	DHGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)c3cccc(F)c3)n12	773173718	YVHWOJNITMNNGT-NTEUORMPSA-N	305.312	3.572	50	20	DHGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	775638995	JVPXMWZAXVCBLH-FLIBITNWSA-N	303.264	3.979	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)nn1C1CCCCC1	776456839	PMCBOLWHTLUEPG-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1	777464988	SVLBYZJSLUQWRQ-UHFFFAOYSA-N	321.380	3.779	50	20	DHGD	
C[C@H]1CC[C@H](NC(=O)NNc2cc(C(F)(F)F)ccc2F)C1	780798714	YQVABQZYTFUUEP-WPRPVWTQSA-N	319.302	3.659	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC[C@@H](Oc2cccc(F)c2)C1	784493761	DTJAZAVIZHLCFH-KDCXGNEQSA-N	308.356	3.843	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1nc(-c2ccccc2)cs1	786670397	QQBKQZXXVBHWIO-ZSOIEALJSA-N	310.378	3.713	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1cc(Cl)ccc1O)C1CC1	787151554	GZNMUCSKVIVVPP-UHFFFAOYSA-N	308.809	3.978	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1	791100237	OLFZTQYMQJKZBO-VIFPVBQESA-N	323.405	3.936	50	20	DHGD	
C=C(CBr)CN1CC[C@@H](c2c(F)cccc2F)C1	791493933	OXLOXNKEMJBTBL-LLVKDONJSA-N	316.189	3.705	50	20	DHGD	
Cc1cc(C(=O)NN=C[C@]2(C)CCCS2)c2ccccc2n1	792889957	LLHVAWGTTYXEKL-KRWDZBQOSA-N	313.426	3.545	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)CSc1nc(C)cc(C)n1	807945999	KMIJXYOTXWMVQR-NSHDSACASA-N	322.478	3.504	50	20	DHGD	
CC(C)n1ccc(CNCc2ccc(OCCCCl)cc2)n1	811481265	UCGDMMAOWJDOCE-UHFFFAOYSA-N	321.852	3.762	50	20	DHGD	
CC[C@H](CSC)NC(=O)NNc1c(C)cccc1C(C)C	813126081	AZKZXOWWVCBBCK-CYBMUJFWSA-N	309.479	3.886	50	20	DHGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)C1CCCC1	814219104	VIIJDHPLLRPXSV-QUVZVDGRSA-N	300.402	3.529	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1cc(Cl)nc(Cl)c1	819742958	IFXGTZZVONAKSC-QMMMGPOBSA-N	322.261	3.753	50	20	DHGD	
CNc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1F	821796110	DLTPVTBASQAGJW-UHFFFAOYSA-N	315.392	3.922	50	20	DHGD	
CC(C)C[C@]1(C)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	834329296	MLOCXXSUAUYWQC-QMDZLVRISA-N	312.413	3.726	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1F	849179254	PWYQSIWPYIOUOD-GHXNOFRVSA-N	303.333	3.525	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccnc(Cl)c1)c1ccccc1	855468521	ZSSSCNKJUSTDRA-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2ccc(C)c(F)c2)c1	856230267	KOPCJPLBGMXXSB-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(Cl)cn1	857081812	IUCOBUPEUNYOHE-XXILOJSOSA-N	303.631	3.559	50	20	DHGD	
CCc1nc([C@H](C)NC[C@@H](CBr)C2CC2)cs1	859250662	MXJVGWSTJHZEGP-GXSJLCMTSA-N	317.296	3.777	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863180327	KUMBJPYLDBWGRM-YFHOEESVSA-N	302.321	3.590	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2CCC2)c1C	915158634	AASGBYGVTSIHNW-WQRHYEAKSA-N	313.445	3.728	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)cc1	915917684	HVBSAIVIJNEREX-HOTGVXAUSA-N	313.445	3.869	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1c[nH]c2ccccc12	916288170	YULVWTJRLLBBIH-CXTNEJHOSA-N	307.397	3.710	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1ccncc1	916359865	DNIHXNOTGCVOKR-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H](C)c1c(C)noc1C	918660238	ZSACLTKZCHYGCW-VIFPVBQESA-N	322.796	3.641	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)CCCc1ccccn1	928340662	YVGYBQXYXFSIJG-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C	1318246424	AVBXXKFMVGSTGD-YFHOEESVSA-N	320.179	3.825	50	20	DHGD	
O=C(CCl)N(Cc1cccs1)c1ccc(F)cc1F	1319684417	WFRUSQRESGMELN-UHFFFAOYSA-N	301.745	3.798	50	20	DHGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1c(F)cccc1Cl	1325710301	PBHLTQKVOAZYLL-SNVBAGLBSA-N	314.788	3.660	50	20	DHGD	
CCCn1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c(C)n1	1336370350	QSLPAQMSGANJQI-YBEGLDIGSA-N	322.412	3.764	50	20	DHGD	
Cc1cc2cc(CNC(=O)C3CCC(Cl)CC3)ccc2[nH]1	1346984311	RFHSZIJGOBTJMS-UHFFFAOYSA-N	304.821	3.890	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1595542254	SWYZVFAGJJFHAA-HNNXBMFYSA-N	312.797	3.698	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)o1	1777477211	JMKAMTOPHYXNOQ-OCJIRGAFSA-N	313.334	3.537	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(F)cc(C(F)(F)F)c2)c1	124920039	RBKZPWXZIUNTKV-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2coc(-c3ccccc3)n2)c1	150844696	MDPORBPBVFXMQR-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cn(C)nc2C)cc1	158739305	UXMJSXDTMDEGRP-BVTUPMQUSA-N	322.412	3.788	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(C(C)C)c2)c(C)c1	171981334	IYYHCKUFXMSMTM-LZYBPNLTSA-N	308.385	3.627	50	20	DHGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(SC(C)(C)C)cc1	184768654	VXTUMUGVGKTIJG-LLVKDONJSA-N	323.462	3.776	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C2(c3ccc(N(C)C)cc3)CC2)c1	293234962	CMNINCZJBQJGLW-UHFFFAOYSA-N	323.440	3.544	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(Cl)c1)C(=O)c1ccccc1	732754166	QQPDGPDDLFUNOG-GFCCVEGCSA-N	316.788	3.692	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2C)o1	734306814	TXGDUHRSTZIAIZ-JLHYYAGUSA-N	310.328	3.603	50	20	DHGD	
CCCCC[C@H](NC(=O)NNc1nc(C)cc(C)n1)C(C)(C)C	734536514	MKRYKXWOBVKJEG-AWEZNQCLSA-N	321.469	3.715	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNc1nccnc1Cl	734550397	NBXKKUMRVXGHBJ-CYBMUJFWSA-N	324.856	3.816	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1Cl)NC1CCCC1	743539164	VJRIJTYONGDZFN-UHFFFAOYSA-N	300.189	3.569	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	747643621	LHQVJSGEVQKMCW-NSHDSACASA-N	304.752	3.998	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ccccc1Br	748066070	IMIQBNOJTHRKCW-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1cc(Cl)ccc1O	748251549	XPDBGWXLGVJBGV-JTQLQIEISA-N	308.809	3.978	50	20	DHGD	
CCC(CC)(CC)C(=O)NNC(=O)c1ccc2ccccc2c1	760395494	RTDVZTPMWOIQTB-UHFFFAOYSA-N	312.413	3.817	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC(C)(C)C[C@H]1C	766010845	OJVOHIPKQYVZOM-SNVBAGLBSA-N	308.809	3.891	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)cn1	774338165	YQRVLBJISUTHBS-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(CC)CCC)cc1OC	776185691	OCJCRRYTOSCYOB-UHFFFAOYSA-N	306.406	3.780	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCCC(F)(F)F)cc1	780837954	NXPOEJSVTYQMBL-UHFFFAOYSA-N	303.328	3.563	50	20	DHGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)c1ccccc1F	783508566	YGZPAXHRANSEFH-VIFPVBQESA-N	302.271	3.664	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1F)c1cc2c(s1)CCC2	783512259	XXRDDAYBBMOEKA-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
CC(C)CCc1nc(COC(=O)/C(C#N)=C/C2CC2)cs1	786674929	YMYOOFRZOLUDQI-NTUHNPAUSA-N	304.415	3.635	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)COC(=O)/C(C#N)=C\C2CC2)cc1	786676920	WECWTZSKKTZPRG-NWRYFCBHSA-N	311.381	3.786	50	20	DHGD	
N#C/C(=C/c1ccsc1Cl)C(=O)NCCc1ccccc1	790102131	YIIJMIUZBWUWMD-UVTDQMKNSA-N	316.813	3.667	50	20	DHGD	
Cc1nc2c(C(=O)NNc3ccc(Cl)cc3)cccc2o1	792652041	ZEKHWGPPCIGBLD-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CC[C@@H]1CCc2nc(NC(=O)NNc3ccccc3)sc2C1	799431784	CGSUXVXRRKONAW-LLVKDONJSA-N	316.430	3.807	50	20	DHGD	
CC(C)(C)CCCC(=O)NNC(=O)Nc1ccc(Cl)cc1	802022583	NRHUZLXZVZUDDN-UHFFFAOYSA-N	311.813	3.709	50	20	DHGD	
N#Cc1ccc(Cl)c(C(=O)NNc2ccc3ccccc3n2)c1	803040592	WRWBWKDPZSKOFZ-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CCCOc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c1	812244201	FXGRGFFFJNCRPS-NTEUORMPSA-N	309.325	3.843	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1c(C)cccc1C(C)C)OCC	812769289	ZYYLXKFZCGUJQC-MRXNPFEDSA-N	304.434	3.933	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(Cc2ccccc2Cl)CC1	819843538	OXIUACFJFBPBIH-UHFFFAOYSA-N	320.647	3.925	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@@H]1c1ccccc1	825855608	XQPLYHOTQKDMBR-ZIAGYGMSSA-N	315.804	3.762	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1OCC	834446612	BXTKECCTLOCGOF-UKTHLTGXSA-N	305.349	3.708	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC[C@@H]2CCCO2)cc1	834675092	BARIVMRZYOHYLI-HKBKRHGFSA-N	313.397	3.767	50	20	DHGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@@H]1C	834914245	NNMSWSVRTOGJQS-NHYWBVRUSA-N	303.362	3.527	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCC[C@@H]1CCOC1	837067329	WOKLSZJVSXSTCR-ZIAGYGMSSA-N	317.520	3.633	50	20	DHGD	
CCCCCCO[C@H](C)C(=O)NNc1cccc2cnccc12	839709437	QBUOBLRHMBGRSR-CQSZACIVSA-N	315.417	3.663	50	20	DHGD	
C[C@@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179322	NMGYXDJEPNBISS-ZETCQYMHSA-N	319.299	3.813	50	20	DHGD	
CC(Cc1coc2ccccc12)=NNC(=O)OCC(F)(F)F	853428437	GPUWOVCBUGYDHA-UHFFFAOYSA-N	314.263	3.640	50	20	DHGD	
C[C@@]1(CNC(=O)CC2CCCCCC2)C[C@@H]1Br	857394979	VCUXUVHUDOMFGZ-JSGCOSHPSA-N	302.256	3.637	50	20	DHGD	
COCc1c(C(=O)NNc2cc(C)cc(C)c2)oc2ccccc12	857494556	ZDOZWEBWHYMVIW-UHFFFAOYSA-N	324.380	3.953	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cc(C)cc(C)c2)cc1	857497127	ZLLQAXMCUYOENI-UHFFFAOYSA-N	300.427	3.847	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1	857830906	GXLHPHMORPEOEA-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cn(C)nc2C2CC2)ccc1[N+](=O)[O-]	899366645	OZXXGRDKPOMLOH-RIYZIHGNSA-N	308.341	3.578	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2ccccc2)cc1	916285502	ORNSHNKEIQSQQZ-UHFFFAOYSA-N	310.397	3.875	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1)c1cc2c(s1)CCC2	916315444	SNZPXPNADICQIN-UHFFFAOYSA-N	304.802	3.654	50	20	DHGD	
CCCCC(C)=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	916340359	HWDVZWUHJCFONE-CQSZACIVSA-N	306.406	3.535	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1cncc(Br)c1	1256347449	RRGQPAVEFGRKFL-CYBMUJFWSA-N	314.227	3.504	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1F	1319574032	VDUJQIWDSMSZLR-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C2(Oc3ccccc3)CC2)c(C)c1	1325448552	JHPJOFMYPAMMSD-UHFFFAOYSA-N	310.397	3.667	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=CCCc1ccc(F)cc1	1344744734	OWINPKTXNLIEMK-UHFFFAOYSA-N	323.371	3.515	50	20	DHGD	
COc1ccccc1COC(=O)/C(C#N)=C/c1ccc(C)cc1	7765922	AXPRSOAWRWOTJU-GZTJUZNOSA-N	307.349	3.654	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)c1	104115440	PKLTVZZVKTVLPK-CVEARBPZSA-N	300.789	3.895	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)N(C)c1ccccc1	112224497	RXNVLEJVNVLLFW-SSZFMOIBSA-N	306.365	3.655	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cnc(-c2ccccc2)nc1	138289876	MQSPNZVZBZPSBP-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1cccc(NNC(=O)c2oc3ccccc3c2CN(C)C)c1	175226953	JNTGNDIUGRALHA-UHFFFAOYSA-N	323.396	3.560	50	20	DHGD	
COc1cccc([C@H](C)C(=O)NNc2ccc(Cl)c(F)c2)c1	175415606	ZTFJZINRDAHYGS-JTQLQIEISA-N	322.767	3.735	50	20	DHGD	
Cc1cc(C(=O)NNc2nc3ccccc3cc2C)ccc1F	181294000	TULGDOWBSTUQOE-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1	255910803	OMWYJCUUTFLBEZ-GIJQJNRQSA-N	305.337	3.518	50	20	DHGD	
OB(O)c1ccc(-c2ccc(-c3ccccc3)c3ccccc23)cc1	261508061	PHTHDGVFFOKUHT-UHFFFAOYSA-N	324.188	3.854	50	20	DHGD	
C=C(CBr)CN1CCC(C(=O)c2ccccc2)CC1	279329596	HCVKYJCZLXLUJZ-UHFFFAOYSA-N	322.246	3.532	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(F)(F)F)nc1	281697990	GRFCXTVKLDXFSS-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
COc1cccc([C@H](C)CCCC(=O)NCC(Cl)Cl)c1	297120737	PCVUBPLIPGSORO-LLVKDONJSA-N	318.244	3.889	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)NCCCC)cc1Cl	727264729	ZDVAIROMEDAGKW-GXDHUFHOSA-N	318.804	3.728	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(O)c(F)c1)c1ccccc1	731932075	YAXIMUVGIVNDJQ-HNNXBMFYSA-N	314.360	3.565	50	20	DHGD	
CCc1ccc(C(=O)NN=C2C[C@H](OCC(C)C)C2(C)C)cc1	737425633	YMBSVCHGNCHPHW-KRWDZBQOSA-N	316.445	3.806	50	20	DHGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)c2ccc(N)cc2)cc1	741838615	XVXJEMWQFWMGKT-QGZVFWFLSA-N	307.397	3.631	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cccc(F)c1Cl	743332203	OEVZSLUBLMGARZ-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(NN=C1CCCc2c(O)cccc21)c1cccc(Cl)c1	743426349	NZRNKWGGLHAJPI-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	743815851	KMJAFQDLNIKNEP-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)c(C)n1C	748511192	JEVCTUAXPUGABZ-UHFFFAOYSA-N	312.200	3.706	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC)c(O[C@H](C)CC)c1	749451909	LKBBQVHBRKXCGJ-NWFCWYBLSA-N	315.369	3.509	50	20	DHGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)c1cc2ccccc2o1	752169775	ZGPOJHRCPLQZSK-AWEZNQCLSA-N	320.348	3.715	50	20	DHGD	
COC1CCC(CC(=O)NNc2cccc3c2CCCC3)CC1	759660782	MFKQTLLZSROISN-UHFFFAOYSA-N	316.445	3.604	50	20	DHGD	
Cc1nc(NC(=O)NNc2c(Cl)cccc2Cl)oc1C	763263907	VQZLQNOZPPOYDM-UHFFFAOYSA-N	315.160	3.747	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1	766778562	MPGJWAMOFVYNDX-NTEUORMPSA-N	310.309	3.676	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1c(C)nc2ccccn12	769567103	MPUNGZBTNKXKBD-JSGCOSHPSA-N	312.417	3.575	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccnc(-c2ccccc2)c1	770081247	LAVGEWXJCAFTKI-UHFFFAOYSA-N	304.353	3.897	50	20	DHGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1ccc(Cl)cc1Cl	773456689	YIKRTCAFEOACGP-VIFPVBQESA-N	318.248	3.603	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCC1CCCCCCC1	776632682	ARRZLPKUWOLHED-SFQUDFHCSA-N	312.413	3.776	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1cc(Cl)ccn1	778448624	DLMRBSMNGGAVPO-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(Cl)cc1C	795555105	DJYXKHFQGDDCRN-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
CC[C@@H](C)[C@@H](OC)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	796790964	AMTXNCMGJKPICO-BDJLRTHQSA-N	317.341	3.715	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)cc1C	809146731	TWTVGCJYGSGBOC-PDGQHHTCSA-N	316.360	3.996	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2nc3ccccc3cc2Cl)cc1	810680769	BCFCELQALNQCGL-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@H]1CCO[C@H](C)C1	813122159	GMPQRTKTMCAMQP-CABCVRRESA-N	319.449	3.560	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1ccc(OC(C)C)c(Cl)c1	814988573	MIFSNHYHVNHYCT-UHFFFAOYSA-N	308.809	3.768	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(-n3cccc3)cc2)cc1	817880341	ZZQFJUMEZDWFIW-UHFFFAOYSA-N	321.380	3.633	50	20	DHGD	
C[C@H](CC(N)=O)NCc1cccc(S(F)(F)(F)(F)F)c1	840892860	JAIRRTLFWHNQEK-MRVPVSSYSA-N	318.311	3.698	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1ccc(Cl)cc1F	842528877	WGTVFSXWGCGEKA-UHFFFAOYSA-N	304.699	3.774	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@H]1c1ccc(OC)cc1	854337100	TYZVTYZNFFJSCU-ZWKOTPCHSA-N	324.424	3.813	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	855365973	YEBRLVFHRBUNCM-WFASDCNBSA-N	316.376	3.926	50	20	DHGD	
Cc1csc(C(=O)NNC(=O)Nc2cccc(C(C)C)c2)c1	860307829	RXVUYMCDZSWSTJ-UHFFFAOYSA-N	317.414	3.646	50	20	DHGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNc2cccc(C)n2)cc1	860513740	PJUCZJFYOBYBOC-CYBMUJFWSA-N	314.389	3.716	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)C2(C#N)CCCC2)C1	912585335	RWJTXPFBKCKUNZ-AWEZNQCLSA-N	322.525	3.693	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCC[C@H](C)C3)n[nH]2)cc1	915968201	XGRDDRAEHFCCRM-ZDUSSCGKSA-N	310.401	3.681	50	20	DHGD	
COc1ccc(C=NNC(=O)OC(C)(C)C)cc1OCC(C)C	916266865	KCTKCRQBLCFMAJ-UHFFFAOYSA-N	322.405	3.589	50	20	DHGD	
O=C(NN=Cc1c(F)cccc1Cl)c1cc2c(s1)CCC2	916315537	UULHUUYQXBBGMD-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
C[C@@H]1CCC[C@@H](C)N1NC(=O)CCCC[C@H]1CCSS1	920425696	SPIZBXMVTPWJRP-MCIONIFRSA-N	316.536	3.995	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)c(C)c1	935022722	XXCGRVTTWWLBJI-JKSUJKDBSA-N	304.434	3.506	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccccc1Cl	1115812927	GKINGCPZDLQFKS-BYNQJWBRSA-N	302.805	3.882	50	20	DHGD	
O=C(CCl)N[C@H](c1cccc(F)c1)c1cccc(Cl)c1	1253968372	OWRVTPPDSHRNAG-HNNXBMFYSA-N	312.171	3.924	50	20	DHGD	
C[C@@H](CC(=O)c1ccccc1)NC(=O)C1CCC(Cl)CC1	1348102282	PNAZHCZNEVXLBN-GRTSSRMGSA-N	307.821	3.562	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1c(OC)ccc2ccccc12	40889382	WAKJPKHBVQTVQQ-QINSGFPZSA-N	308.381	3.672	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2cccc(Cl)c2)cc1	55185988	DVJGHUBXCLDLIP-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NNc1ccccc1	78426936	KPQPACQKFDZSFT-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc(C)c1O	111677239	UEPICVWFJRPQFS-ZROIWOOFSA-N	310.328	3.694	50	20	DHGD	
N#CC(C#N)=CNc1cccc(C[S@@](=O)C2CCCCC2)c1	116709664	YGEHDHSTFBEUEJ-QFIPXVFZSA-N	313.426	3.611	50	20	DHGD	
N#CC(C#N)=CNCc1cc(Cl)cc(Cl)c1OC(F)F	129572578	WJIIWNHKYZVTRO-UHFFFAOYSA-N	318.110	3.615	50	20	DHGD	
C[C@H](CBr)CN1CCC(c2ccc(O)cc2)CC1	133525516	LTGHHJBKGRFTBY-GFCCVEGCSA-N	312.251	3.603	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc(OC)c1	180571716	DJVQREXJIZZRID-VIZOYTHASA-N	324.336	3.985	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ccnc(F)c2)cc1	182483697	BXLYKTBSJFBWNH-ZDUSSCGKSA-N	315.392	3.981	50	20	DHGD	
CCCn1c(C(=O)NNc2ccc(C#N)cc2)cc2ccccc21	188497548	LYPMRDFBRVPBMF-UHFFFAOYSA-N	318.380	3.680	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F	211668244	UTJPLJZFGRNTKC-XFFZJAGNSA-N	302.255	3.650	50	20	DHGD	
CC(=C\c1ccccc1OC(F)F)/C=C(\C#N)C(=O)NC(C)C	290440434	BWDVFQNBUAFYJY-MXOVAJDFSA-N	320.339	3.666	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)Cc2ccccc2F)cc1	294489548	WYIOWVYSLYNVOF-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
CCN(CC)CCC(=O)NN=C1CCCC[C@H]1c1ccccc1	725812600	TWSNTIVTZAMOMQ-KRWDZBQOSA-N	315.461	3.548	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	727776694	BIRPHSPNEMRNOP-CYBMUJFWSA-N	318.417	3.800	50	20	DHGD	
CCC(=NNC(=O)C1CCC1)c1ccc2cc(OC)ccc2c1	731933532	JGGSVPYDWFSEMD-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc3ccccc23)C1(C)C	741462591	KNVAZODEAUPWSH-QGZVFWFLSA-N	310.397	3.761	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H]1CCCc2ccccc21	746703767	CRFOIBQGMLBVCM-ZDUSSCGKSA-N	320.314	3.667	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)c1ccoc1C	753177047	JTRASBBMRLILAD-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cccc(-c2ccc(C)cc2)c1	757524732	BPGPWGXFHJMGLV-UYRXBGFRSA-N	302.377	3.871	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)c1ccc(CC(C)C)cc1	760531379	OTUFOQZSHKPIQJ-HNNXBMFYSA-N	311.429	3.835	50	20	DHGD	
CC[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ncc[nH]1	771580301	MHAFBFATAJTRFP-VXGBXAGGSA-N	313.492	3.691	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2cnc(C3CCC3)s2)ncn1	773175425	DTNURMOJWSGXDA-VZUCSPMQSA-N	314.439	3.987	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1cc2ccccc2o1	782241702	AEVQLEHRSGAECW-UHFFFAOYSA-N	304.758	3.912	50	20	DHGD	
COC1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	783809172	ZJBNYSSGRALDSP-UHFFFAOYSA-N	315.200	3.668	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)c1cc2ccccc2o1	784062212	YUQQSSXMXWNSKD-CYBMUJFWSA-N	316.401	3.800	50	20	DHGD	
CCc1sc(C(=O)NNc2ccc(F)cc2OC)cc1C	788185392	WNCHMRRXLPMJRV-UHFFFAOYSA-N	308.378	3.524	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1[C@@H](C=C(C)C)C1(C)C	788193055	NLJVDUZWLKFTPF-DOMZBBRYSA-N	306.381	3.516	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cc(Br)c(Cl)s1	790157545	FOIZWUAIRXSBCV-UHFFFAOYSA-N	323.643	3.660	50	20	DHGD	
CSSCCNC(=O)c1cc(C)ccc1N(C)C(C)C	791152368	LIPGBORYTLPAPP-UHFFFAOYSA-N	312.504	3.581	50	20	DHGD	
C=C(CBr)CN[C@@H](CC)c1cc(F)ccc1F	791493573	SXBCLZMVUVLDAO-ZDUSSCGKSA-N	304.178	3.957	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)nc1	792360098	PYJURFWHUBAPFI-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	794690672	INIAOMPWCBZBHP-WZUFQYTHSA-N	320.179	3.825	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)/C=C\c1ccccc1C#N	799759320	LYPWYFJIWZLLIT-QXMHVHEDSA-N	305.381	3.586	50	20	DHGD	
C[C@@H]1CC[C@@H](C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)C1	800816525	MMNPYWOASCZKAY-JHJVBQTASA-N	308.809	3.646	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCOc2cccc(F)c2C1	801584087	ZZDBPWKUTBFUDM-CAOOACKPSA-N	312.319	3.724	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1nccnc1C1CCC1	805463053	KFIJMDTVMIYPFN-CQSZACIVSA-N	316.449	3.794	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2nccnc2C2CCC2)c1	806109716	JJYPJRDQGOHLJK-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)c(C)c1OC	806553837	AFEPRCOEYZXYPW-NTEUORMPSA-N	301.386	3.925	50	20	DHGD	
CSSCCNC(=O)NC1(c2ccc(F)cc2)CCC1	806727718	BPBNKTZLEVUEFZ-UHFFFAOYSA-N	314.451	3.515	50	20	DHGD	
N#C/C(=C\c1cnccn1)C(=O)c1cc(Cl)cc(Cl)c1	809153650	AVQFCQLDKZXJAK-BJMVGYQFSA-N	304.136	3.573	50	20	DHGD	
Cn1c(/C(C#N)=C/c2cccc(F)c2C#N)nc2ccccc21	811685935	IBCULDBTISNWDA-UKTHLTGXSA-N	302.312	3.648	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(CC(C)C)c1	812770547	SNOGGBKMRJAMAW-UHFFFAOYSA-N	314.433	3.728	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccc2ccccc2c1OC(F)F	814744253	GRIPXAIPACSVRU-UHFFFAOYSA-N	320.339	3.937	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(Cl)c(N)c2)cc1	814745017	FDWUJDMVTQHMBF-UHFFFAOYSA-N	315.804	3.639	50	20	DHGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)CSc2ccccc2O)C1	814968761	DKDHUPDQEQMKQG-ZIAGYGMSSA-N	320.458	3.803	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cccc(Cl)c1C	816338474	KZGGMTYRUQFAEL-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(F)F)c1C	818257760	SVRSZAAVBHUHEC-OQLLNIDSSA-N	323.387	3.583	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)c1	827180780	MMGCWRLYLXZRAO-ZDUSSCGKSA-N	301.217	3.721	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCC(OC2CCCC2)CC1	834934803	OSUNSHIFKLTLQQ-UHFFFAOYSA-N	314.429	3.983	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	836937177	VWNOHLQQQGMJPK-VXGBXAGGSA-N	322.836	3.733	50	20	DHGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)N1CC=C(C#N)CC1	837504465	NMDXFSHJSYJRLP-UHFFFAOYSA-N	302.805	3.591	50	20	DHGD	
Cc1nn(C)c(Cl)c1/C=C(\C#N)c1nc(C2CC2)cs1	843263101	AJOOZSOQDMGHLQ-BJMVGYQFSA-N	304.806	3.780	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCC[C@H]1c1ccccc1	848083674	KDTYPDSPTMZILU-QWHCGFSZSA-N	300.229	3.832	50	20	DHGD	
CCCCC(=O)NNc1ccc(Cl)cc1Br	856233562	SGCNDNKYQVHMEH-UHFFFAOYSA-N	305.603	3.736	50	20	DHGD	
CC(C)c1ncc(CNC[C@]2(C)C[C@H]2Br)s1	856806867	ILTLTENECDYFMM-PWSUYJOCSA-N	303.269	3.530	50	20	DHGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2cc(Cl)ccc2C)n1	885123940	KNLCYGUASXXOSF-CYBMUJFWSA-N	320.824	3.556	50	20	DHGD	
CSc1ccc(N(C)C(=O)[C@@]2(C)C[C@@H]2Br)cc1	906663247	DLOJVEOKIVYHHH-AAEUAGOBSA-N	314.248	3.545	50	20	DHGD	
Cc1cccc2cc(C=NNC(=O)C3CCCC3)c(Cl)nc12	914836425	LIOMCVPQQLHKOQ-UHFFFAOYSA-N	315.804	3.837	50	20	DHGD	
CCc1cccc2c(C=NNC(=O)Cc3ccc(F)cc3)c[nH]c12	916350802	JIVGCRWMNGSDIU-UHFFFAOYSA-N	323.371	3.562	50	20	DHGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1ccncc1	917528698	DJSAZJSFTVCHSO-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
CN(NC(=O)NCc1cc2ccccc2s1)c1ccccc1	920419667	JDDNLRYIJQVCSI-UHFFFAOYSA-N	311.410	3.752	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)c1ccc(F)c(F)c1	1320358722	QWPGFOYLLDLTMK-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)ccc1F	1341111722	MVZXBCPQQHVAIA-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)c1ccc2c(c1)CCCN2	1580740076	VNWQDJFWVHWIGR-UHFFFAOYSA-N	319.767	3.594	50	20	DHGD	
O=c1[nH]c(CCCCCl)nc2sc3c(c12)CCCS3	48412325	XKHWVFFJTIERPH-UHFFFAOYSA-N	314.863	3.584	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccccc1OC(F)F	120355791	NOJJNGICYJTLGS-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
CSc1ccc(Cl)cc1NC(=O)NNc1ccncc1	121915100	QZYOAPDGNADWBY-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)Cc2ccccc2F)c1	150772917	QNJMLHXTKZMLNG-LBPRGKRZSA-N	304.340	3.595	50	20	DHGD	
C[C@H](NC[C@@H](C)CBr)c1cccc(OC(F)F)c1	152772395	RZSYNXOHIOEEEC-UWVGGRQHSA-N	322.193	3.970	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3ccncc3Cl)[nH]c2c1	154514711	LWJZLOWQQPCRHR-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CCNc1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)s1	181131884	XPFGZLAGECGOTH-UHFFFAOYSA-N	318.446	3.629	50	20	DHGD	
CSCCCCC(=O)NNc1ccccc1OC(F)(F)F	190228653	OIZNPROJCINEOA-UHFFFAOYSA-N	322.352	3.562	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)N3CCCC3)o2)cc1	193339575	XYKUWFQBICEVKM-FOWTUZBSSA-N	306.365	3.784	50	20	DHGD	
CC(C)(C)Sc1cc(C(=O)NNc2ccccc2)ccn1	272348366	QCOCBBWVWPIFKH-UHFFFAOYSA-N	301.415	3.729	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cccc(O)c1Cl)C1CCCCC1	295963828	PSUFNRGETQHIEH-JLHYYAGUSA-N	318.804	3.744	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2C)cc1	734304832	XPGJPSGUTOIEEX-YVLHZVERSA-N	308.356	3.666	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)[C@H](CC2CCCCC2)C(C)C)n1	734422411	VRQPUNWWRQRNBZ-MRXNPFEDSA-N	318.465	3.779	50	20	DHGD	
CN(C)C(=O)NN=Cc1ccc(-c2cccc(Cl)c2)s1	745601522	DPZCACFVWCARFY-UHFFFAOYSA-N	307.806	3.674	50	20	DHGD	
Cc1cccc([C@@H](C)NC(=O)NNc2ccc(Cl)nc2)c1C	745828728	TZVPXRXAPDEVKV-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
O=C(NN=Cc1cccc(OC(F)F)c1)c1cccc(Cl)c1	747046055	UGFXFQKSCNQJGA-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCOc1cccc(C)c1C	748549264	UQNSOONAQZATKV-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1CC12CCCC2	748743753	JTETVXVUDCNQJM-LBPRGKRZSA-N	323.234	3.781	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccc1[N+](=O)[O-])C1CCCCC1	751281651	SXGYNGRLNKDEJZ-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC(C)(C)C[C@@H]2C)o1	766012908	KTONKUPFGQGLLK-ZDUSSCGKSA-N	319.449	3.663	50	20	DHGD	
CSc1ccsc1C(=O)OC[C@@H](C)CBr	770374254	XQNSZNDHOMABHF-ZETCQYMHSA-N	309.250	3.658	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(F)c(C#N)c2)ccc1[N+](=O)[O-]	774558301	AQVBZWXHNTWEIK-MLPAPPSSSA-N	323.283	3.678	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(OC)c1	774562178	SAGUXFGKRRFKOF-DHDCSXOGSA-N	324.336	3.985	50	20	DHGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)C2CCCC2)c1	781554299	LSXYGRVIEMVFIM-ATVHPVEESA-N	313.397	3.768	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](c2ccccc2)[C@@H]1C	790880169	RFTANVCOBVRMAT-GXTWGEPZSA-N	310.488	3.585	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cccc(Nc2ccccc2)c1	791222660	OTOJFAMZQQROMQ-UHFFFAOYSA-N	318.380	3.891	50	20	DHGD	
C=C(CBr)CN1CC[C@@H](Cc2ccccc2)[C@H]1C	791472895	IKBVQAGYNSBGHA-ZBFHGGJFSA-N	308.263	3.891	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccccc2)C[C@@H](C(F)(F)F)O1	795066488	ULPDJUVPOGUBDC-CZAWJFPGSA-N	310.319	3.593	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)c1cccc(F)c1	799758481	NHNIHFAGRJDRLS-CYBMUJFWSA-N	300.377	3.943	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(C(F)(F)F)s1	802825859	WFSJRHNALOFVNO-UHFFFAOYSA-N	304.268	3.663	50	20	DHGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)c1nc2ccccc2[nH]1	806565727	QMWDLRVSICWLTM-BJMVGYQFSA-N	302.259	3.974	50	20	DHGD	
Cc1ccc(C(=O)NN=C2[C@H]3CCC[C@@H]2Cc2ccccc2C3)o1	807977753	YXABZMWIWHBRAS-CALCHBBNSA-N	322.408	3.889	50	20	DHGD	
C=C(CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1	813623219	WOHXVMHNRQOAOD-GZTJUZNOSA-N	306.340	3.562	50	20	DHGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1ccc(O)cc1	814691432	AYNZRXYDVZNQNW-UHFFFAOYSA-N	324.380	3.541	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCOc2ccccc2C)c1	821867467	HUXZPFBZDOJDTI-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1cc(C(F)(F)F)ccn1	832967736	BGHLTSRVNRBTFX-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
Cc1cnc([C@@H](C)NC(=O)NNc2c(C)cccc2Cl)s1	838507557	LWRAWTCIVGFZCB-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
CO[C@@](C)(C1CC1)[C@H](C)NC(=O)NNc1ccc(C(C)C)cc1	840424539	PYDYJZAWHZRERS-SCLBCKFNSA-N	319.449	3.640	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C2CCOCC2)c(C)c1	849248228	NOSJEKMEQAMLPO-SFQUDFHCSA-N	313.397	3.687	50	20	DHGD	
CSc1ccc(CNC[C@]2(C)C[C@H]2Br)s1	856809017	IIZHAJMVVJNRGE-KOLCDFICSA-N	306.294	3.733	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)COc1ccccc1F	916300354	ARTPTVAVRHVHGX-RJAGYNMQSA-N	318.392	3.999	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cc(C)ccc1C	916339036	YJIRLTKKMZEBLB-UHFFFAOYSA-N	319.408	3.868	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	920756285	XZUPCFZUOZRVDB-WDZFZDKYSA-N	311.728	3.679	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(-c2ccc(C)cc2)s1	920988915	WCICZKRQTOAJTO-UHFFFAOYSA-N	301.415	3.767	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@]2(C#N)CC23CCCC3)cc1Cl	1347781442	DFXRWZVMOXHULT-INIZCTEOSA-N	303.793	3.566	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccc(C)cc2)cs1	7067386	UHXDISFIGIOJSE-UKTHLTGXSA-N	313.382	3.501	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1	78686077	WDBHQMXTELWYKO-SZVPOVDMSA-N	308.356	3.764	50	20	DHGD	
O=C(NCCCc1ccc(Cl)cc1)NNc1ccccc1	114950934	FYMHYSXNNJKQQL-UHFFFAOYSA-N	303.793	3.599	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc2[nH]ccc12	120351371	BNEFHRNDLIPMQF-UHFFFAOYSA-N	305.381	3.804	50	20	DHGD	
Cc1cnc(NC(=O)NNc2ccccc2C(F)(F)F)s1	125639749	UPNFRGMSZWTSTG-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc(C(F)(F)F)cn1	132278607	RQUKZRXKXHSMHT-SNVBAGLBSA-N	315.339	3.760	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2cccc(F)c2)CCC1	153117238	WRWVXUNDAMXOAU-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)Nc1ccc(F)cc1	163237977	ARDLCJFGUWGOAT-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	172692599	NSNOKCAZTILRLZ-BFERYNQYSA-N	307.397	3.844	50	20	DHGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1ccc(Cl)c(F)c1	175420882	NTGMSKVCVGJIIJ-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
Cc1noc(C)c1CCC(=O)NNc1ccc(C(C)(C)C)cc1	181146629	NPCDOXUAKYGOEF-UHFFFAOYSA-N	315.417	3.665	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccn1	181394883	DFYWHCPESFRUHC-ZDUSSCGKSA-N	312.417	3.766	50	20	DHGD	
O=C(/C=C\Sc1ccccc1)NNc1c(F)cccc1F	255080388	OCJAVWWDMMZUSE-KTKRTIGZSA-N	306.337	3.714	50	20	DHGD	
CN(Cc1ccccc1[N+](=O)[O-])/C(=C\C#N)c1ccc(F)cc1	255397567	PTLVSBOWVVCRCK-YBEGLDIGSA-N	311.316	3.730	50	20	DHGD	
CN(C)[C@@H]1CCCN(Cc2ccc(OCCCCl)cc2)CC1	365664654	WILPGZUNUFSHHR-QGZVFWFLSA-N	324.896	3.610	50	20	DHGD	
COc1cc(C=NN(C)C(=O)OC(C)(C)C)ccc1SC	490539943	FDKLKEUEDUIGQO-UHFFFAOYSA-N	310.419	3.618	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	490727197	YWDBUJXZSCPFNC-CSKARUKUSA-N	318.785	3.956	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)c1	490811292	FCKBJBZBCXZYMY-LFIBNONCSA-N	301.349	3.724	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc2ncsc2c1	491163232	VSOVNWZRRMAAQH-GHXNOFRVSA-N	321.361	3.548	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(F)F)c1C	729074647	CSBDRBPXTQLZPO-RIYZIHGNSA-N	310.344	3.620	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	734367947	NOIKPUXRKHDYIT-LUAWRHEFSA-N	315.275	3.861	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cccc(N(C)C)c2)cc1	744182102	JTZMYDWATKAMMU-WOJGMQOQSA-N	320.392	3.711	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCC2CC2)c1C	744283536	WEDQATLGNOSKSH-GZTJUZNOSA-N	300.402	3.765	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2ccccc2F)CCCC1	748057046	DCXACTSWYURSAP-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)CC1CCCCCC1)c1ccccc1	749990094	LVXDDNJFRGVSTQ-KRWDZBQOSA-N	316.445	3.688	50	20	DHGD	
Cc1ccccc1CN(C)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	750033763	UVISQHRCKNMUEY-WQRHYEAKSA-N	307.353	3.900	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H]1CCCC[C@H]1C	751165193	OLQVQZWXHYIRNO-NEPJUHHUSA-N	307.346	3.725	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2ccccc2)cc1OC	751443440	JKFHIXKPXRDEHY-MHWRWJLKSA-N	307.349	3.802	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)C1CC(F)(F)C1	757421072	BQBQUQSMBJHAGT-UHFFFAOYSA-N	307.252	3.699	50	20	DHGD	
COCCC1(C(=O)NNc2cc(Cl)ccc2Cl)CCC1	761574198	ZSJGUPNGKRYCJM-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	761595064	INVFKQUAKUEUNP-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)C2CCCCC2)c(-c2cccnc2)n1	767715428	VWNZRASJXBORQE-MHWRWJLKSA-N	320.396	3.538	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc(O)cc2)C[C@H]1c1ccccc1	768476487	NQVBGDCHLDTSCO-INIZCTEOSA-N	308.381	3.692	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	770319201	SZLFORILBVNARU-JIMOISOXSA-N	315.182	3.503	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ncc[nH]1	771580298	MHAFBFATAJTRFP-NEPJUHHUSA-N	313.492	3.691	50	20	DHGD	
Cc1c(COC(=O)/C(C#N)=C/c2ccccc2)cccc1[N+](=O)[O-]	785343134	BMIYADNNPUFCNZ-MHWRWJLKSA-N	322.320	3.554	50	20	DHGD	
Cc1ccc(CCCOC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	785362803	JTHGOJKVGHCULH-AQTBWJFISA-N	321.376	3.784	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cccc(C)c2C)c1	786052105	YTBJLBMTDWRPOE-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CC(C)c1cccc(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	787532391	DUFODMSSMVJWMF-ZDLGFXPLSA-N	320.392	3.739	50	20	DHGD	
CSSCCNC(=O)N(C)[C@H](C)c1cc(F)ccc1F	790880640	VQSVLGJNELPSBG-SECBINFHSA-N	320.430	3.678	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1cccc(F)c1	794945306	ZBRMBKCGPJDIOL-JXMROGBWSA-N	303.239	3.599	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C(C)(C)C2CCOCC2)c(C)c1	795140937	BOZPDFLWTZQFIB-UHFFFAOYSA-N	304.434	3.508	50	20	DHGD	
C=CCC1(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)CCC1	802047372	CAJSUUMMCLDWNJ-UHFFFAOYSA-N	321.808	3.548	50	20	DHGD	
CC(C)(C)c1ccc(CCC(=O)NCCCSC#N)cc1	816540526	OCJISZQQGPVNGU-UHFFFAOYSA-N	304.459	3.637	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1cccc(Cl)n1	817006533	NLJKJEXOICARCP-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	848081247	PETBOCZTFYVHLX-HTQZYQBOSA-N	306.155	3.617	50	20	DHGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)c1nccn1C	851582430	YTSKYHIWGYWSNT-NWDGAFQWSA-N	314.476	3.738	50	20	DHGD	
CC(C)c1ccc(/C=C\CC(=O)NCCCSC#N)cc1	854360837	CONGXTZXMSBNRS-HYXAFXHYSA-N	302.443	3.934	50	20	DHGD	
CC(C)c1cnc(CNC[C@]2(C)C[C@H]2Br)s1	856808705	DFRMBVDHATYEAD-PWSUYJOCSA-N	303.269	3.530	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)n1	862520443	ZQOVVLYZGJHIPE-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
CC(C)CC=NNC(=O)Cc1nc(-c2ccccc2)cs1	863968061	AGYWTLOWTDEZGX-UHFFFAOYSA-N	301.415	3.501	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1c(Cl)cncc1Cl	865217741	OESAMUQHGLLYHX-POHAHGRESA-N	312.200	3.602	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc(F)cc2)c(C)c1	912709875	NJBZRIATSBOUAQ-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1ccc(N2CCCCCC2)cc1	916342574	GFQCCKQNRDRABG-UHFFFAOYSA-N	315.461	3.953	50	20	DHGD	
CCCNC(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	920989636	OYJHVCSOHSVOBJ-UHFFFAOYSA-N	322.821	3.507	50	20	DHGD	
C#CC[C@@H](CO)NCc1cccc(S(F)(F)(F)(F)F)c1	922141402	RYTCTEMDORAVQS-NSHDSACASA-N	315.307	3.818	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@@H]2CCCC[C@@H]2C)cc1Cl	1321785788	HDAINRNYAMNYRB-SWLSCSKDSA-N	310.825	3.687	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(c2ccc(O)cc2)CC1	1528003043	ZQDUKNMOTIAYAV-UHFFFAOYSA-N	321.848	3.896	50	20	DHGD	
C[C@H](CC(C)(C)C)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1592439483	KQLPFTFQYXRHJW-SECBINFHSA-N	312.797	3.554	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1ccc(C(=O)O)c(F)c1	1594959290	PYQSQLCZATXFQK-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
COc1ccc(COc2cccc(F)c2)cc1NC=C(C#N)C#N	63633795	IUOHSRUHLWTVPE-UHFFFAOYSA-N	323.327	3.756	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ncccc2Cl)s1	80028315	UTVUEASRFNJGLD-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CSCCCCC(=O)NNc1cc(C(F)(F)F)ccc1F	128834606	RDHQUDNMIMIGAG-UHFFFAOYSA-N	324.343	3.821	50	20	DHGD	
O=C(CSc1ccccc1Cl)NNc1ccccc1F	152779463	LERNWYNYYPSPEA-UHFFFAOYSA-N	310.781	3.715	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2cccc(F)c2)c1	154133468	AKEJXDBTHLCIOF-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
CCOc1ncc(C(=O)NNc2cc(C)ccc2C)cc1Cl	159137909	XNYRNVPHAXXQSF-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)o1	176939969	LEJAAUXKZKZDOL-UXBLZVDNSA-N	302.355	3.710	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1	178961066	FAQBNQFSROKVLU-VMEIHUARSA-N	316.376	3.617	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2CC)cc1	179725087	OOORFAIMJINFKV-WJDWOHSUSA-N	307.397	3.725	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccc2c(c1)Cc1ccccc1-2	180677274	VCKVSAFMZPNGTJ-UHFFFAOYSA-N	316.364	3.801	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)[C@@H](C)c1ccccc1	193027213	MBQKRPWAAGYMHF-ZDUSSCGKSA-N	319.836	3.572	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2c(F)cccc2Cl)ccc1C	194508774	UVDFVTAMFUSOEO-UHFFFAOYSA-N	320.751	3.747	50	20	DHGD	
Cn1nccc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	195271067	CBYWVTAMHWTEOX-UXBLZVDNSA-N	306.152	3.517	50	20	DHGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)[C@@H]1CCCOC1	279968812	DBUBAXMWAIKLEU-WJQTUHTMSA-N	324.405	3.713	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1cc(C(F)(F)F)ccn1	295389768	QHSMQEFAXVWJCX-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
COC(=O)N(C)N=Cc1sc(Nc2ccccc2)nc1Cl	496369715	OZDIGVJXZLABRI-UHFFFAOYSA-N	324.793	3.572	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cnn(C(C)C)c3)n2)cc1	732714518	URODXVCEMNFFBE-PXNMLYILSA-N	319.368	3.887	50	20	DHGD	
CC(CCc1ccccc1F)=NNC(=O)CCc1ccccc1	734096222	KQLRFILXHJISQD-UHFFFAOYSA-N	312.388	3.883	50	20	DHGD	
C[C@@H]1[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)CCC[C@H]1C	734651792	ACPCFWSFNVUNJK-ZDMBXUJBSA-N	315.339	3.555	50	20	DHGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)c2ccccc2O)cc1	741838237	QODNOQZBAYGDPZ-HNNXBMFYSA-N	308.381	3.754	50	20	DHGD	
Cc1ncsc1C=NNC(=O)CC12CC3CC(CC(C3)C1)C2	743426520	RNCNMOCGFRMREH-UHFFFAOYSA-N	317.458	3.508	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2C[C@@]23CCc2ccccc23)ccc1[N+](=O)[O-]	744036515	AUEZFKRXVMKLLE-QFBILLFUSA-N	323.348	3.713	50	20	DHGD	
CCC(C)(C)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	744459215	YOAAJJSWKWRWAJ-UHFFFAOYSA-N	317.216	3.581	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1cccc(F)c1	748089885	ZFIRZMAINKVBJS-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1ccccc1Cl	748333961	VYOQECCKTATYSC-GFCCVEGCSA-N	310.825	3.911	50	20	DHGD	
Cc1cccc2ncc(/C=C(/C#N)c3nc4ccccc4n3C)n12	748994209	KGAORDDVBFOFBD-UVTDQMKNSA-N	313.364	3.594	50	20	DHGD	
C[C@@H]1CC(NC(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@H](C)C1	752436913	AHDJJLBIFVZMAF-LPZKWCNCSA-N	300.377	3.674	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2C[C@H](C)c3c(C)cccc32)nc(C)n1	754247955	OYSBETIGUBFLJT-WFASDCNBSA-N	324.428	3.526	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cccc(C(C)C)n1	762066643	ANDCSZLRQUUHLR-UHFFFAOYSA-N	314.341	3.949	50	20	DHGD	
Cc1sc(Cl)nc1C(=O)NNc1cccc(Cl)c1	762844253	ZCHIJZWKSKATMU-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
O=C(NN=C1CCCCCC1)c1cc(-c2cccs2)[nH]n1	764786986	VFYDVCNFBVAXLI-UHFFFAOYSA-N	302.403	3.578	50	20	DHGD	
C[C@H](CBr)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C	770669415	WCVTUXGZXAUSAO-UTLUCORTSA-N	302.178	3.680	50	20	DHGD	
CCc1ccccc1NC(=O)NNc1ccc(C(F)(F)F)cn1	775449064	CLRSLSGFOCYVHI-UHFFFAOYSA-N	324.306	3.811	50	20	DHGD	
CC(C)CCn1nccc1NC(=O)NNc1ccccc1Cl	779469581	PIHNDALKJYVUHJ-UHFFFAOYSA-N	321.812	3.731	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1nc2ccc(OC)cc2cc1C	781021359	PFCPSVZNNWNKSP-ACCUITESSA-N	313.401	3.741	50	20	DHGD	
CCO[C@@H]1CCCN(Cc2ccc(OCCCCl)cc2)C1	788840132	GOWIYIHVXXFJAA-QGZVFWFLSA-N	311.853	3.695	50	20	DHGD	
N#CC[C@H](CC(=O)NNc1cccc(Cl)c1)c1ccccc1	792942775	OXDGMMJMJUIMDV-CQSZACIVSA-N	313.788	3.871	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(C)nc2sc(C)cn12	794951317	CVXISYXJXXAOCP-KPKJPENVSA-N	301.415	3.925	50	20	DHGD	
N#C/C(=C\c1cc(Br)ccc1F)C(=O)c1ccoc1	798230310	OZQSJYFLLZDXAF-VZUCSPMQSA-N	320.117	3.971	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(CC#N)c1	812766192	BJJXNZOEMRTMNW-UHFFFAOYSA-N	307.397	3.941	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@H](C3CC3)C2)cc1	813843524	SVUJWWFCCANHHB-BOFQVRIASA-N	324.424	3.641	50	20	DHGD	
C[C@H](NC(=O)NNc1cccc(Cl)n1)[C@H](C)c1ccccc1	814308340	KVLBZZUCUKYOSK-RYUDHWBXSA-N	318.808	3.553	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCCCSC#N	854360034	ZQHFFJHUANEWSL-UONOGXRCSA-N	302.443	3.697	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3cccc(F)c3)CCC2)cc1F	856231390	ZKBZCUUCYHZDMR-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCc1cnccc1[C@@H](C)NC[C@H](CBr)C1CC1	859247678	XYQPKTWVEQQKME-RISCZKNCSA-N	311.267	3.716	50	20	DHGD	
CCc1cnccc1[C@H](C)NC[C@@H](CBr)C1CC1	859247679	XYQPKTWVEQQKME-SMDDNHRTSA-N	311.267	3.716	50	20	DHGD	
COC(=O)c1csc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	864366185	MNPNCXFZDMDYFX-WMZJFQQLSA-N	316.407	3.933	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnn(C3CCCCC3)c2)c1	1116347078	BDGQKRLSFBWRFP-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3cccn3C)o2)cc1	1326061088	RBFCYEFGRWQLEK-KAMYIIQDSA-N	320.352	3.538	50	20	DHGD	
COc1cc(C(=O)O)ccc1/C=C(\C#N)c1nc(C)c(C)s1	1777269736	FENVMWRGZVMTDU-AWNIVKPZSA-N	314.366	3.531	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccco2)cc(Cl)c1OC	8200925	KXDHEMPZRSXUPQ-IZZDOVSWSA-N	317.728	3.740	50	20	DHGD	
CCCOCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	49178367	YLVFPEBUPJNMHY-UHFFFAOYSA-N	311.596	3.517	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc([N+](=O)[O-])c2)c1	53102617	YTUKRYJHQFVMTC-WUXMJOGZSA-N	313.338	3.510	50	20	DHGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)C(=O)c1ccc(F)cc1	53106349	QUPQYKITAVLPEK-VZUCSPMQSA-N	302.286	3.585	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H](C)C2)c1C	69197617	NZBCNUOZZYUSBU-DZBQEORWSA-N	313.445	3.680	50	20	DHGD	
CC(C)COc1ncccc1C(=O)NNc1cccc(Cl)c1	103067277	URWAKSBVMGKDNM-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@@H]1c1cccc(F)c1F	119157170	XULQULBZXUDPNM-CHWSQXEVSA-N	320.314	3.659	50	20	DHGD	
Cc1cnccc1NC(=O)NNc1cccc(C(F)(F)F)c1	120513352	FXIRFMYJYBLMEU-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1ccccc1C(F)(F)F	154839948	UCMJCJINPZYDGM-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3cccc(Cl)c3)ccc2n1	157649177	AGDGBSKNABLHIA-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
ClC[C@H](Br)[C@@H](CCl)OCc1ccccc1	158133091	LDLUQWSHLINSBI-WDEREUQCSA-N	312.034	3.813	50	20	DHGD	
Cc1ccc(-c2cccc(/C=C(\C#N)C(N)=C(C#N)C#N)c2)cc1	177011751	PMEMOHLTXUUMHP-VCHYOVAHSA-N	310.360	3.829	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1cc(Cl)cc(Cl)c1	178320232	UHOMHIKYLVVWRQ-QPIMQUGISA-N	324.192	3.996	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)/C=C/c2ccc(Cl)nc2)c1	179488069	MCDBBZAGKYEPIV-SOFGYWHQSA-N	301.777	3.508	50	20	DHGD	
COc1ccc2oc(C(=O)NN(C)c3ccccc3)c(C)c2c1	198156327	SVTALPSEDHCSCA-UHFFFAOYSA-N	310.353	3.531	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)N2CCCC2)cc1	208032128	NZJPBXLNEKOSGS-LGMDPLHJSA-N	312.413	3.641	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1ccc(C(C)(C)C)cc1	293526833	QVNLJUNAXFGINL-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1COC(C)(C)CC	490847608	YABXWFQWWDDYRP-QINSGFPZSA-N	316.401	3.774	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1F	588619144	XMNHYSPTJFHGMO-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC[C@H]2CCCO2)cc1	726430036	WZWALVJHHKMNDP-QDDJLWQGSA-N	313.397	3.767	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(OCc2cccc(C)c2)cc1	727650923	XGWYHGIKVSVXEP-UHFFFAOYSA-N	322.408	3.824	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)C(C)(C)c1ccccc1	731150343	GISGJJYKZMFWEN-UHFFFAOYSA-N	306.475	3.988	50	20	DHGD	
Cc1cc(C(=O)NNc2nccc3sccc23)ccc1F	734249193	NPGRRFBHIIJIFX-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
O=C(NCCC1=CCCCC1)NNc1cc(F)c(F)cc1F	734652171	IHNAZCLRGUGQCL-UHFFFAOYSA-N	313.323	3.621	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CCC[C@H]1Cc1ccccc1	735610389	PIEDZPGNTDACQD-KRWDZBQOSA-N	321.424	3.614	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NNc2ccccc2F)c1	748057446	XNCORDJYENMPEK-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
N#C/C(=C/c1cc(C#N)cs1)c1nc(-c2ccccc2)no1	748441316	XJLGSHVSXNUMHM-QPEQYQDCSA-N	304.334	3.734	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cccc([N+](=O)[O-])c1	752142031	BCLCUIICDLYKGN-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1cnnc2ccccc12)C(C)C	755801863	AONMNWHRSZABQV-CQSZACIVSA-N	314.433	3.925	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OCC2CC2)c(C)n1CC(C)C	763862690	GJWUUQJAKANXNL-CAOOACKPSA-N	300.402	3.621	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cnn(C(F)F)c1	767894430	INCJYSPCOAMGSN-JTQLQIEISA-N	321.418	3.931	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	773092931	CGXIXFWSNBXOQK-ZDUSSCGKSA-N	316.788	3.566	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccn2)c(F)c1Cl	790016381	WFQANUQUIFNHNS-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc(Cl)cc1Cl	790596432	GMGYVTVAJNQNBF-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CSSCCNC(=O)Cc1coc2cc(C)c(C)cc12	791096063	VYWQSLURYDJTJP-UHFFFAOYSA-N	309.456	3.720	50	20	DHGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccccc1	793704944	MYEWKLCRVWGSRJ-UHFFFAOYSA-N	307.353	3.661	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc(-c2ccccn2)cc1	810332573	XBBUMQPZDZZKHZ-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1cccc(C2CC2)c1	814835910	DEDCXTQZDDPOFN-UHFFFAOYSA-N	303.365	3.590	50	20	DHGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCC(Cl)Cl	816605996	UGOBTTOSHUMAFA-NSHDSACASA-N	318.244	3.806	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C)nc3ccccc23)cc1	817882323	IVVHJKMPTNIKIJ-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
CCCCCC(C)=NNC(=O)Cn1c(CC)nc2ccccc21	818238494	JSRYHNKBZSTNOB-UHFFFAOYSA-N	314.433	3.671	50	20	DHGD	
COC[C@]1(C)CCN(Cc2ccc(OCCCCl)cc2)C1	824583768	QIJANLABWKVEBF-QGZVFWFLSA-N	311.853	3.553	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc2ccccc12	834438096	GVNNMYJCFGHWOG-FCNRDGCESA-N	321.376	3.751	50	20	DHGD	
O=C(NN=C1CCCC12CCCCC2)c1ccc(Cl)nc1	834942863	NAIVYZYZAYLPRX-UHFFFAOYSA-N	305.809	3.955	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cc(O)nc(C(C)C)c1	836932991	FOUZHCAOQZMEPS-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1cccc(Cl)c1Cl	838344831	GPQYPGSLNFKYRY-MRVPVSSYSA-N	307.246	3.968	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccnc(Cl)c1	855468321	TYTYGXJKRXOTNB-HNNXBMFYSA-N	317.820	3.693	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CCC[C@@H]2Cc2ccccc2)cc1	857115423	IHSFUYYILJJYIZ-APWZRJJASA-N	324.424	3.797	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1scnc1C	915972588	PZUJTTVLFMLJMK-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)c2ccccc2F)cc1	916290966	FZFZZDCLMAAXOB-UHFFFAOYSA-N	314.360	3.769	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1	917530888	HRCXFMBPKAJJHQ-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
COc1cccc(C[C@@H](C)CC(=O)N(C)CC(Cl)Cl)c1	936000348	KCZQRZCOUITNFO-LLVKDONJSA-N	318.244	3.526	50	20	DHGD	
O=C(Cc1cccnc1)NN=CC1CCC(c2ccccc2)CC1	1116915470	GIOOUUBRDAUHBR-UHFFFAOYSA-N	321.424	3.700	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2ccc(Cl)cc2Cl)[nH]1	1320050382	DLQQHQNALQZNQC-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](Cl)CS1	2048532465	UAPSOKRVEPQQFQ-HNRZYHPDSA-N	306.855	3.645	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	6854431	SEXIYBWEUJRLEG-AQTBWJFISA-N	320.392	3.699	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(SC)c(OC)c1	63867070	HLUUNHZXEBQBIV-LCYFTJDESA-N	305.399	3.667	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2cccc(Br)c2)c1	127199796	NOYCUVMMGAKQJZ-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127720532	XCBNYRDYNPAGEH-LDADJPATSA-N	305.381	3.572	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccs1	128937892	HMQMLUGLZVGLFQ-UHFFFAOYSA-N	304.268	3.663	50	20	DHGD	
O=C(/C=C/c1cccs1)NNc1cccc(Br)c1	152216293	LSPZEGWPCOYIQZ-VOTSOKGWSA-N	323.215	3.667	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1CSc2ccccc21	158400450	ZXANYWNNHFWCLS-NSHDSACASA-N	304.802	3.673	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CC1(Cl)Cl	178880576	NGYBQZIMXXIZBF-LURJTMIESA-N	313.999	3.630	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(Br)c(Cl)c1	191604670	MXTLFPQRFFHASU-UITAMQMPSA-N	314.566	3.573	50	20	DHGD	
N#C/C(=C\c1ccccc1C#N)C(=O)c1c[nH]c2cc(F)ccc12	255573187	DHJMYEKGDSKUNR-VGOFMYFVSA-N	315.307	3.969	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(N(C)CCC#N)cc1	281282067	XOCIWGXXWHKFQB-SSZFMOIBSA-N	309.413	3.949	50	20	DHGD	
CC(C)CCCNS(=O)(=O)c1ccc(CCCCl)cc1	303171929	ROCXXMCBHWWUDI-UHFFFAOYSA-N	317.882	3.573	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1F	490842636	LUNMDQTYEJRXKQ-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
N#C/C(=C\c1ccnc(Cl)c1Cl)C(=O)Nc1ccccc1	490906875	FLZFSVSJTBEERQ-DHZHZOJOSA-N	318.163	3.934	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1cccc(C(F)(F)F)c1	492421897	GPWSOEPCBYOICG-AATRIKPKSA-N	321.302	3.565	50	20	DHGD	
CS[C@@H]1CC[C@H](N(C)C[C@H](CBr)C2CC2)C1	701863327	WSMZYESQXXGYKI-RWMBFGLXSA-N	306.313	3.623	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC[C@H](C)C2)c(C)n1CC(C)C	725725531	KMXYJZBDMFOWHC-RMNBPEERSA-N	313.445	3.536	50	20	DHGD	
CC(=NNC(=O)NCc1ccc(Cl)cc1)c1ccsc1	732927394	LDWWMSDRYZXOIZ-UHFFFAOYSA-N	307.806	3.625	50	20	DHGD	
CC(C)=C[C@H]1[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1(C)C	734554574	GSCYWEVXJPMLGD-LKFCYVNXSA-N	312.335	3.785	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ccccc2Br)C1	748065435	BEZXEBFJVBGVMJ-QLWWJYNRSA-N	309.207	3.639	50	20	DHGD	
CN(NC(=O)c1ccc(Oc2ccccc2)o1)c1ccccc1	748839079	ZJSBXRPAKWXLIP-UHFFFAOYSA-N	308.337	3.853	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccccc2C2CC2)cc1	751133512	PFKBRZKVFCMFBF-UHFFFAOYSA-N	322.412	3.786	50	20	DHGD	
CC[C@H](C(=O)NN=C[C@H]1CCOc2ccccc21)c1ccccc1	752166868	ZOZBYJGHTFRYGN-SJORKVTESA-N	322.408	3.849	50	20	DHGD	
C=C[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	757013745	UZOWOXPTFGOSBO-BGARDKSCSA-N	313.445	3.749	50	20	DHGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)C(=O)C(C)(C)C)c1Cl	758909175	BQQKYLKMVISIOW-FNORWQNLSA-N	319.714	3.614	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)c1	759321767	NMRSLBWFVXKILO-HUUCEWRRSA-N	306.381	3.516	50	20	DHGD	
Cc1ccc(NC(=O)NN=CCCC2CCOCC2)c(Cl)c1	764909746	LGMGBRIRDUJHCE-UHFFFAOYSA-N	323.824	3.963	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1Cl	766449655	ABCKVVMAVOYIEY-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)CC[C@H]1C	767388726	VYHPGFOYSBDDHW-MNOVXSKESA-N	316.430	3.680	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1cc(C)cc(C)c1	768311299	MEODHTMKYVTKSV-DOTOQJQBSA-N	304.434	3.732	50	20	DHGD	
CCOC(=O)NN=CCCCc1cccc(C(F)(F)F)c1	769763998	UGARQYIRRIDDGA-UHFFFAOYSA-N	302.296	3.760	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCCc1cccs1	770326963	PBUNTMJCAXWROK-JTQLQIEISA-N	305.237	3.645	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)CCCc1ccccc1	779774586	YNBJMUVTLDNURF-UHFFFAOYSA-N	309.413	3.507	50	20	DHGD	
COC1(C=NNC(=O)Cc2cccc3ccccc23)CCCCC1	790153781	KGSBXEOLQBWTRP-UHFFFAOYSA-N	324.424	3.834	50	20	DHGD	
Cc1csc(C(=O)NNc2cc(F)c(F)c(F)c2)c1Cl	790808652	NVVYGKDHAOAWPU-UHFFFAOYSA-N	320.723	3.884	50	20	DHGD	
CSSCCNC(=O)C[C@H](C)c1ccc(F)cc1F	791099483	FBUBSHCUAXYBIF-VIFPVBQESA-N	305.415	3.586	50	20	DHGD	
CC(C)(C(=O)NN=C1CCC[C@H]1c1ccccn1)c1ccccc1	794910470	ZQDUGXQLXZJYAB-INIZCTEOSA-N	321.424	3.799	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cccc(C2CCC2)c1	798981914	WNTBRYXFAXFLIN-UHFFFAOYSA-N	302.324	3.989	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)ccc1C#N	799494460	BZUKCQJCIVJISU-OVCLIPMQSA-N	305.293	3.539	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCC1CCCCC1	805381860	VWEICELQAWWIPU-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(C)cc(O)nc3c2)c1	809594571	ZADMAJCVGKNWEX-UHFFFAOYSA-N	321.380	3.623	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)c1c(C)n[nH]c1C	812768735	DPSMJDLUKTZVCU-GFCCVEGCSA-N	314.433	3.705	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cc(C)n(C(C)C)n2)c(Cl)c1	817359785	DNPNXQMCSSXCPM-UHFFFAOYSA-N	321.812	3.883	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@@H](C)c2nccs2)cc1	838551455	XTONGRIQQPQYMM-GFCCVEGCSA-N	318.446	3.696	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843857670	XCKPICLGVPONTO-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
CCS[C@@H](C(=O)NNc1cccc(F)c1Cl)C(C)C	862510081	SDOKOSMVKKRMSO-GFCCVEGCSA-N	304.818	3.700	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCCC(F)(F)C1	863082324	HZWNNNOMQFURLI-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
Cc1ncc(C=NNC(=O)c2ccc(Cl)cc2Cl)s1	917543412	IWZMIPHSXKGWKM-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
O=C(CC(F)(F)F)NN=Cc1sc2ccccc2c1Cl	917550642	LQJMIYCIGBYYFF-UHFFFAOYSA-N	320.723	3.957	50	20	DHGD	
O=C(CCNc1ccccc1)NNc1ccccc1C(F)(F)F	1115836944	DLZKFILHSRBUQV-UHFFFAOYSA-N	323.318	3.651	50	20	DHGD	
CC(C)c1nnc2ccc(NC(=O)C3CCC(Cl)CC3)cn12	1263783396	CNXINPPKGCNJOI-UHFFFAOYSA-N	320.824	3.589	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ncnc2ccsc12	1324009196	LXOCMPIKMIGWKB-LLVKDONJSA-N	318.446	3.741	50	20	DHGD	
COc1cccc(C=NNC(=O)c2cccc3ccccc23)c1	15854296	KIRAHVSUBPUWRO-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(OCCCCCC)cc1	16436034	ASCYMMNWNAMNOW-SAPNQHFASA-N	312.413	3.855	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1ccc(Cl)cc1Cl	28805079	FQCQHLPAXNNSQD-WKMLFNHBSA-N	313.184	3.615	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC([C@@H](O)c2ccccc2)CC1	78670500	VDGZWXLVYCLPEQ-IOAQBMTJSA-N	318.420	3.997	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cccc3c4c([nH]c23)CCCC4)c1	88423141	WUUVRPSKMBHZIA-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
CCn1cc(CC(=O)NNc2cccc(C)c2)c2ccccc21	109426758	OLTOLMRWJHRVCA-UHFFFAOYSA-N	307.397	3.655	50	20	DHGD	
O=C(NNc1ccccc1F)c1c(O)cc(Cl)cc1Cl	119956033	KJBJANFHASIQQL-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)C1CCCCC1	128859817	IRCUENROJNFZDG-GZTJUZNOSA-N	305.381	3.929	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccccc2Cl)s1	130765045	AFCXTORPHPAFFW-UHFFFAOYSA-N	322.817	3.816	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc2cc[nH]c12	133018449	GDNKPABCSKPXBR-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Br)c2)ccc1F	152148160	ZZFJMQVUGTUUQS-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C=CCCO[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	155260456	PQWWPUJDNUXFCG-GFCCVEGCSA-N	315.325	3.635	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1Br	174594491	AXTJJNFJJZIVAX-WEVVVXLNSA-N	314.566	3.573	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)C12CC3CC(CC(C3)C1)C2	181150585	HACVTLKBBVWWFY-UHFFFAOYSA-N	321.424	3.894	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1scnc1C1CCCC1	183282155	HJMPHSQHXVHZAC-UHFFFAOYSA-N	305.378	3.697	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cn1	194520388	IAUWFUKUGWXKTC-RIYZIHGNSA-N	302.337	3.563	50	20	DHGD	
BrCc1nccc2c(Br)cccc12	307000517	BAXKIRYZIJMOHP-UHFFFAOYSA-N	300.981	3.892	50	20	DHGD	
CC(C)C[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	588606339	JIJFVBXGELAMLD-PCJMVEANSA-N	312.413	3.584	50	20	DHGD	
CC(C)C[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588607341	LFFCUHCHPHGORJ-MOKGIYGOSA-N	312.413	3.726	50	20	DHGD	
CCc1cccc(CC)c1NC(=S)NNC(=O)CC(C)(C)C	728445991	PJUPIBVTSKADME-UHFFFAOYSA-N	321.490	3.565	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)Cc1ccccc1OC)c1ccccc1	731932188	AZVXUGQKMYTGRR-GOSISDBHSA-N	324.424	3.924	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1F	733909292	HYDSIDACFBVABQ-CQSZACIVSA-N	320.408	3.583	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(N(CC)CC)c(F)c1	739427560	UUSZZMYUXMZYTQ-RVDMUPIBSA-N	318.392	3.922	50	20	DHGD	
CC(C)CCCCCC(=O)NNC(=O)c1cc2ccccc2o1	749476112	FFOXXSYKEAOXJY-UHFFFAOYSA-N	316.401	3.800	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)c1nc(C)c(C)s1	751513081	JSALXEGZRMPCLE-XNTDXEJSSA-N	314.410	3.849	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)Nc2ccc(C3CC3)cc2)cc1	757882352	MXBFPBXHXYXFTF-UHFFFAOYSA-N	323.396	3.593	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c(Br)c1)c1ccncn1	758912447	NFULIICKELNWJN-YHYXMXQVSA-N	320.577	3.957	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccccc2)c(-c2cccs2)n1	769551208	JJPZLEGDSNSISJ-GXDHUFHOSA-N	319.389	3.938	50	20	DHGD	
CSc1cc(C(=O)OC[C@H](C)CBr)ccc1F	770407923	QKRFZQPGAQGZRT-MRVPVSSYSA-N	321.211	3.735	50	20	DHGD	
C[C@@H](CBr)CN(Cc1ccccc1F)C1CC1	770646727	RRACYCGYQWQSLB-NSHDSACASA-N	300.215	3.821	50	20	DHGD	
C[C@H](CBr)CN1CCS[C@H](c2ccccc2)C1	770652241	GNBJXQDGQWLJGT-OCCSQVGLSA-N	314.292	3.808	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])s3)[nH]c12	782180809	RXFCLTILXKHJNP-JXMROGBWSA-N	310.338	3.905	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@](C)(c2ccccc2)C1	790877498	ZIOBVSUEHBIGFJ-MRXNPFEDSA-N	324.515	3.761	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Cc1cccc(Cl)c1	791100273	OZYKTMCZLRRCHJ-SNVBAGLBSA-N	303.880	3.646	50	20	DHGD	
C=C(CBr)CN(C)[C@@H]1CCCN(c2ccccc2)C1	791474198	UGLJVHUDKVFKBE-MRXNPFEDSA-N	323.278	3.538	50	20	DHGD	
C=C(CBr)CN[C@@H]1CCC[C@@H]1Cc1ccccc1	791543393	NXEVHDNMSLJXFY-HZPDHXFCSA-N	308.263	3.939	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)[C@H]1CCCOC1	794883371	LAJQJKXCHPNPCT-CMWXKVOJSA-N	315.316	3.670	50	20	DHGD	
CC(C)CCC(=NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	802710848	HXWBAHNPMGOHDY-UHFFFAOYSA-N	324.428	3.804	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2)cc1C	809160161	IKWPXRCUPBARKT-LICLKQGHSA-N	305.333	3.792	50	20	DHGD	
COCCC(C)(C)CNC(=O)NNc1c(C)cccc1C(C)C	813139025	OQHVHQGBOCAXOL-UHFFFAOYSA-N	321.465	3.807	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1csc(-c2csc(C)n2)c1	814988653	QIOFDNOGDHGCQH-UHFFFAOYSA-N	319.455	3.820	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)Nc1cc(OC)c(Cl)cc1OC	814994877	DPPRQHTVMZDSEM-SECBINFHSA-N	313.785	3.511	50	20	DHGD	
CCCN([C@@H](C)c1cc2ccccc2o1)S(=O)(=O)CCl	830161365	QEBRHMMHODQZIX-NSHDSACASA-N	315.822	3.732	50	20	DHGD	
O=C(COC1CCCCC1)NNc1cccc(Cl)c1Cl	838343230	LMZRTGNZWQAGTJ-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)CCCC[C@@H]2CCSS2)CS1	839825564	JXESARIAAVDZBJ-IJLUTSLNSA-N	305.534	3.711	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccnn2CC(C)C)c1C	843266266	UBAOVAJRAGYZGE-YBEGLDIGSA-N	307.397	3.946	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844547537	GLLZQQVHKPNSEV-HKMIMPICSA-N	305.349	3.755	50	20	DHGD	
CSC1(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CC1	846378983	QEEIFLDRKPFEKN-UHFFFAOYSA-N	324.755	3.698	50	20	DHGD	
CO[C@H](C=NNC(=O)Nc1ccc(Cl)cc1Cl)C1CC1	853352227	MSCMBHNSMPPHKZ-GFCCVEGCSA-N	316.188	3.526	50	20	DHGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1cccc(Cl)n1	853410177	DJYQXTNJBRPBKY-UHFFFAOYSA-N	305.809	3.955	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccc(Cl)cn1	856093275	FIXNUTPWOVQNHR-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cnc(C(C)C)nc2C)c(C)c1	879016483	MDJOBBFIMUHSNY-UHFFFAOYSA-N	312.417	3.591	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cncn1C(C)C)c1ccccc1	901496652	XADOCGZSKRNWMW-BXBHGGAKSA-N	322.412	3.638	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(CC)c1cccc(C(F)(F)F)c1	910816932	GWAWSTGBNGPRTA-KHPPLWFESA-N	312.291	3.502	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)cc1	916278137	BSHVOAOTQAQEAJ-UHFFFAOYSA-N	321.424	3.615	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=CC1CCCCC1	916345725	CIZWFVIGNSOAEB-UHFFFAOYSA-N	308.422	3.990	50	20	DHGD	
CCN(C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C)C(C)C	917825974	KMCQWGVHHQAGDA-ZDLGFXPLSA-N	315.461	3.925	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1cccc2ccccc12	920375117	SIDDTKGXEFFQRE-UHFFFAOYSA-N	318.376	3.541	50	20	DHGD	
CC(C)(C)OCc1ccccc1NC(=O)NCC(Cl)Cl	932540663	SDVBEIIMGFJULI-UHFFFAOYSA-N	319.232	3.927	50	20	DHGD	
CCCC[C@@H](C)N(CCCC)C(=O)/C(C#N)=C/c1cnn(C)c1	1117816470	ZSOLMFJQSWSUPB-QAEAHILHSA-N	316.449	3.534	50	20	DHGD	
O=C(NCCCC(F)F)NNc1cccc(Cl)c1Cl	1262196294	GGTKDPUHYGLZOC-UHFFFAOYSA-N	312.147	3.665	50	20	DHGD	
CC[C@@H](COC(=O)/C(C#N)=C/c1ccc(O)cc1)CC(F)F	1333212072	PBPZTGYIPIEVDL-ZTFCMROMSA-N	309.312	3.524	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@H](C)C#N)c(C)n1CCC(C)C	5211686	PMUSDHZSDYBZDV-IREQLNLFSA-N	313.401	3.513	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(F)cccc2F)c1	16409839	VPHAVYIYEKORCC-DHZHZOJOSA-N	314.291	3.519	50	20	DHGD	
CC(C)(C(=O)NNc1ncccc1Cl)c1ccccc1Cl	151831056	GSSKXUDRWJSASG-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
O=C(NNc1ccccc1F)c1cncc(-c2ccccc2)c1	153371130	OWRIBIZKBATTPU-UHFFFAOYSA-N	307.328	3.645	50	20	DHGD	
O=C(CC1CCCCC1)NNc1cccc(C(F)(F)F)n1	155953870	LEJXJVAMWBJANJ-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(F)cc2cccnc12	179288095	JNEMGZHSXMXKJI-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1coc(-c2cc(NC(=O)NNc3ccncc3)ccc2C)n1	183087823	CLRLHFZUUYNAGW-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
COc1cc(C)ccc1NC(=O)NNc1c(C)cccc1F	184205728	XMVOQULOZLPRSZ-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
C[C@H](c1ccccc1F)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188149944	HHJYTUSRIZJKEV-LKKYZFDUSA-N	324.355	3.658	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	191766715	JZGXEFZVBIPMMM-NTEUORMPSA-N	321.398	3.853	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(Cl)c([N+](=O)[O-])c1	192755103	ZTKNZLPQWTXXCM-WDZFZDKYSA-N	316.700	3.940	50	20	DHGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)c1cccc(F)c1	193161284	ZXASMRGKSCNSJV-SXGWCWSVSA-N	305.308	3.934	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1O	207894689	BZBAUKDTJGGMGK-JYRVWZFOSA-N	318.332	3.672	50	20	DHGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1ncccc1C	276712523	KIOFROZNADTEEK-UHFFFAOYSA-N	319.792	3.589	50	20	DHGD	
CSSCCNC(=O)N(C1CC1)[C@H](C)c1ccco1	287755735	IUTHMRODRHTWCA-SNVBAGLBSA-N	300.449	3.526	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2[C@H]3CCC[C@H]2CC3)cc1	366644056	QBPDUKXDUXCJDH-LHGWUTHLSA-N	310.397	3.536	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)ccc1C	490978395	WEAQUQNZSWDDTP-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1ccccc1F	491006484	DJUOASQAUIBJAS-YRNVUSSQSA-N	313.357	3.705	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1scnc1C1CC1	491159197	HWRKAKYZGJGGKI-TVGBFMDESA-N	315.442	3.622	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1OC	588580614	LJDQKMNVRSXFLE-ZROIWOOFSA-N	317.348	3.711	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C)on2)c1C	726595110	UTWNZFUEGIVECY-UJFYRASASA-N	311.385	3.913	50	20	DHGD	
CCc1ccc(C=NNC(=O)C(C)(C)c2ccccc2)s1	731152696	PMTXFEUCKUUPMV-UHFFFAOYSA-N	300.427	3.738	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(F)c(F)c1)c1ccccc1	731931090	BOLSHIRAGUNETO-HNNXBMFYSA-N	316.351	3.999	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccccc1OC)c1ccccc1	731933669	ZUONSAZWHDDVKG-INIZCTEOSA-N	310.397	3.729	50	20	DHGD	
Cc1cccnc1[C@@H](NC(=O)NNc1ccc(F)cc1)C(C)C	734675114	CBERXZYNRSOXKL-HNNXBMFYSA-N	316.380	3.553	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2c(F)cccc2F)cc1	735698282	ZSAJZXBOPATWEI-UHFFFAOYSA-N	318.367	3.993	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1ccc(Cl)c(F)c1	746695610	MWGCJYUZYUPXHD-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(C(F)(F)F)c1)C1CCCC1	749521845	BVCMBFVGFCLCEB-SNVBAGLBSA-N	300.324	3.975	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1N1CCCCCC1)c1ccccc1	749806901	IECGBBVFZLTGCI-GOSISDBHSA-N	313.445	3.591	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C[C@H]1CCOc2ccccc21	752163646	AAVBAPXLHKKEBS-CQSZACIVSA-N	309.369	3.669	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cc3ccc(C(C)C)cc3[nH]2)c1	755854666	YLGRTKBFPWWUTF-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
CCCC1(CNC(=O)/C(C#N)=C/c2ccc(OCC)cc2)CC1	760026109	OGINTBJBLUEBDQ-FOWTUZBSSA-N	312.413	3.689	50	20	DHGD	
COc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(OC)c1	766777157	DMSZBANBSFBTEA-NTEUORMPSA-N	310.309	3.676	50	20	DHGD	
CCOc1cccc(NC(=O)[C@@H](Br)C(C)(C)C)c1	767291782	CSQGXHDBIZRBML-GFCCVEGCSA-N	314.223	3.833	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc([N+](=O)[O-])cc2)CCCC1	768249886	CEMORCVWOYBIAN-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)[C@H](F)c1ccccc1	769607110	ZURXPPGAGQQARS-CYBMUJFWSA-N	323.165	3.603	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@H](c2c(F)cccc2F)C1	770668719	PDTBEJBQKJGCEG-QWRGUYRKSA-N	318.205	3.785	50	20	DHGD	
N#C/C(=C/c1cccc(Br)n1)C(=O)c1ccsc1	777915730	QWHQEXQUYHBZBB-POHAHGRESA-N	319.183	3.695	50	20	DHGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2cc(C(F)(F)F)ccc2F)C1	780798684	YQVABQZYTFUUEP-PSASIEDQSA-N	319.302	3.659	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1nc2ccc(OC)cc2s1	788687355	FXIHDBATBWAAKD-DHZHZOJOSA-N	316.382	3.555	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)CSc1ccccc1	791096080	WRFCYASSNXTDPU-NSHDSACASA-N	301.502	3.542	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1nccc2sccc12	795099878	BWIZYLJHJYBVCU-UHFFFAOYSA-N	301.371	3.770	50	20	DHGD	
CC[C@H](C)[C@@H](OC)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	796790966	AMTXNCMGJKPICO-MEDUHNTESA-N	317.341	3.715	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(N(C)C)c1	797400383	ZLBMSAXVRZYGFC-ZIAGYGMSSA-N	301.434	3.685	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)nc1	797787138	CRKLGFLZBPQQQV-LFIBNONCSA-N	321.380	3.708	50	20	DHGD	
CCCCNC(=O)NN=C1CCC[C@@H](c2ncccc2C)C1	799110359	SHSBNZCCTUHBNI-CQSZACIVSA-N	302.422	3.503	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)ccc1C#N	799497684	YVDVWEWHLZAWIC-OVCLIPMQSA-N	314.348	3.816	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnc(C2CC2)s1	799756496	CFCMPFLMCNXCAM-UHFFFAOYSA-N	301.415	3.648	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2ccccc2)c1	814993009	VLPIZABPNJXJCE-UHFFFAOYSA-N	303.749	3.504	50	20	DHGD	
O=C(NN=C[C@H]1CCCOC1)Nc1ccc(Cl)cc1Cl	814996534	QZTVBLKGDFQMOC-SECBINFHSA-N	316.188	3.527	50	20	DHGD	
CCCC(=NNC(=O)Nc1cc(F)cc(F)c1)c1cccnc1	815006270	CCSPOUOZUYOJIR-UHFFFAOYSA-N	318.327	3.686	50	20	DHGD	
O=S(=O)(CCl)Oc1ccc(-c2ccccc2)cc1Cl	820774210	YIXUFYYWLDPTIR-UHFFFAOYSA-N	317.193	3.912	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(C(C)C)cc2)CCO1	837052418	DITRZEXRTABYIS-RDJZCZTQSA-N	304.434	3.848	50	20	DHGD	
N#CC1=CCN(Cc2cc(Cl)cc(Br)c2)CC1	839531566	KVSUHGBWYXIREQ-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C=C1CCCCC1	840550071	ZOHAFHYESIZWOW-UHFFFAOYSA-N	308.813	3.587	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Br)c1)[C@H]1C[C@@H]1C	841627011	XVKUSOPDTKAFEJ-CABZTGNLSA-N	309.207	3.601	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2c(C3CC3)cnn2C)ccc1[N+](=O)[O-]	849250507	VAXXWWGMRNVZSC-RIYZIHGNSA-N	308.341	3.578	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2cc(F)cc(Cl)c2)no1	855618683	NHQVKGHXUNSGNX-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
C[C@]1(CNC(=O)c2cc3ccccc3s2)C[C@H]1Br	857402363	JVPVNIRFQCLSNL-TZMCWYRMSA-N	324.243	3.805	50	20	DHGD	
CC(C(=O)NNc1nc2ccccc2[nH]c1=S)=C1CCCC1	862294038	VWHYATURRRDNRB-UHFFFAOYSA-N	314.414	3.626	50	20	DHGD	
O=C(NN=Cc1ccc(SC(F)(F)F)cc1)C1CCCC1	914835828	VFFNQIBQVNUTSW-UHFFFAOYSA-N	316.348	3.939	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cnc(C(C)(C)C)s1	920370428	IXSVGNHUOLDPCC-UHFFFAOYSA-N	301.415	3.513	50	20	DHGD	
O=C(NCCc1cccs1)NN=Cc1cccc2ccccc12	920831724	ZGQXESUMRUJTRX-UHFFFAOYSA-N	323.421	3.777	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cccc(OC(C)C)c1	921258393	SQKZVNCMUKVHMV-UHFFFAOYSA-N	311.385	3.938	50	20	DHGD	
O=C(C[C@@H]1CNc2ccccc21)NNc1ccc(Cl)c(F)c1	1580516485	AGOWVZBRNONOMH-SNVBAGLBSA-N	319.767	3.522	50	20	DHGD	
O=C([C@@H](F)Cl)N(Cc1cc(F)ccc1F)C1CCCC1	2088604424	JUNAOILBVHQQEM-CYBMUJFWSA-N	305.727	3.770	50	20	DHGD	
Cc1ccc(NNC(=O)CCCCOc2cccc(C)c2)cc1	98115973	MNYGYHJYNQNCJI-UHFFFAOYSA-N	312.413	3.996	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(F)ccc1F	120147998	LIHCIMQCRXWDMX-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1c(F)cccc1F	133527623	KCONKXWOHPRMQY-CQSZACIVSA-N	312.360	3.536	50	20	DHGD	
Cc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)c(C)c1	152999200	JKJKWBCGTHDXKL-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(-c2ccccc2F)o1	153025499	UIRBPJJZUMTMMF-UHFFFAOYSA-N	314.291	3.982	50	20	DHGD	
N#C/C(=C\c1sccc1Cl)C(=O)NCCc1ccccc1	195222874	DWPLPKXZDHSFMH-JLHYYAGUSA-N	316.813	3.667	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc(OCC#N)cc2)nc2ccccc21	195383012	WYRIPPVEMSDOGH-QINSGFPZSA-N	314.348	3.540	50	20	DHGD	
Cc1cc(OC(=O)/C=C\SCc2ccco2)ccc1[N+](=O)[O-]	254964837	TWXBKCHYTXSGFP-VURMDHGXSA-N	319.338	3.849	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cn1	255263868	XFUYJSIOGDQTFM-QPEQYQDCSA-N	314.776	3.663	50	20	DHGD	
CCN(Cc1c(F)cccc1F)C(=O)NCCSSC	284337991	XGKGGDOFKLBYIF-UHFFFAOYSA-N	320.430	3.508	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	293385835	NIFJQAOOZXIQRC-UHFFFAOYSA-N	302.296	3.631	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1O	588424579	BJHOPMGRQUQCMK-POHAHGRESA-N	319.769	3.906	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ncc(-c2ccccc2)[nH]1	588599442	XRNGYJNQVVVXBW-FOWTUZBSSA-N	322.412	3.680	50	20	DHGD	
CCOC(=O)c1cc(C(C)(C)C)sc1NC=C(C#N)C#N	732747616	SHROYPDAELAODL-UHFFFAOYSA-N	303.387	3.565	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	734093873	WOBBHKOFYAVXEU-NSHDSACASA-N	302.761	3.565	50	20	DHGD	
CS[C@@H]1CCC[C@H](NC(=O)NNc2c(C)cc(C)cc2C)C1	735385347	YEAZVDQGGQCXBP-LSDHHAIUSA-N	321.490	3.912	50	20	DHGD	
C=C(Cl)CNC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	736246668	FOCZAROJFNPSQC-SXGWCWSVSA-N	319.836	3.681	50	20	DHGD	
C/C(=C/C(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1	740136484	SDWLEUSDVIAVMN-KHPPLWFESA-N	321.302	3.647	50	20	DHGD	
CN(C)C(=O)NN=C(CCCc1ccccc1)c1ccccc1	745605265	NOWNDAUSEWBTGT-UHFFFAOYSA-N	309.413	3.685	50	20	DHGD	
COc1ccc(NNC(=O)c2occc2-c2ccccc2)cc1	746883731	UOSGZGDNZVHXFX-UHFFFAOYSA-N	308.337	3.712	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cccc2cccnc12	747362043	KELJVVDYDVTDPN-DLTWYDFYSA-N	319.408	3.777	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2cccc3cccnc23)c1	747362294	WFUIWWMIFKFHNZ-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])Nc1cccc(F)c1	747831544	RJHBWLALKNOTRO-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1cc(C)cc(C)c1	748365672	JIPLGHMOUUMBES-KRWDZBQOSA-N	312.413	3.913	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccsc1	749100052	ZBLAKNXZYQLAOV-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C	750895489	ICOVSXLUKNWFIU-MXBGREKESA-N	300.377	3.736	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@@H]2CCCCC2(C)C)o1	751780657	BRXQZZCKSPHADC-LBPRGKRZSA-N	318.421	3.719	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)C(C)(C)c1ccccc1	754255713	SZRXXWPJEGYDPB-AWEZNQCLSA-N	318.461	3.574	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccc(Cl)cc2)c1Cl	754274257	KHABMZHUIBJMEA-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1ccc(-c2ccccc2)o1	755873344	ZFXMBINXMXDOJF-UHFFFAOYSA-N	320.348	3.806	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cc(Cl)c[nH]1	767227531	SEXVXYHVCRARSV-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
COc1ccc(C)cc1NC(=O)NNc1c(F)cccc1Cl	771093925	BAIYJHCMROJMCY-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C2	776625469	PPMLPRDNZCZRLQ-AUDUEZSPSA-N	324.424	3.630	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])c(Cl)c1C	783027366	JOIKLRTUDDJRKJ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1cnn(-c2ccccc2)c1)C1CC1	787158900	ZSZBCZUTTVWZGT-UHFFFAOYSA-N	324.428	3.804	50	20	DHGD	
CSC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCC1	787577885	MSWXDYYCUWLRHW-UHFFFAOYSA-N	305.230	3.722	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cc(Br)c(Cl)s1	790151015	WCBWHLFSONSCLE-UHFFFAOYSA-N	323.643	3.660	50	20	DHGD	
C=C(CBr)CN[C@@H]1CCC[C@H]1Cc1ccccc1	791543394	NXEVHDNMSLJXFY-JKSUJKDBSA-N	308.263	3.939	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1C#N	799494702	FQLUCFQBYOTMMO-DHDCSXOGSA-N	314.348	3.518	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NNc2nccnc2C2CCC2)c1	806083899	RHUOUKGFHCONAO-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
CCOCCCCNC(=O)NNc1c(C)cccc1C(C)C	813042597	NEOKBNQCKQYQQU-UHFFFAOYSA-N	307.438	3.561	50	20	DHGD	
CC(C)OC1CC(=NNC(=O)c2c(Cl)cccc2Cl)C1	814833932	VIUWKZKPXPEPSD-UHFFFAOYSA-N	315.200	3.667	50	20	DHGD	
CCC(=NNC(=O)CSc1ccccc1O)C1CCCCC1	814971029	NPNPIUQPMYNMEF-UHFFFAOYSA-N	320.458	3.947	50	20	DHGD	
CN(NC(=O)C[C@@H](Cc1ccccc1)c1ccccc1)C1CC1	819648584	JSRSCMBQALSOSC-GOSISDBHSA-N	308.425	3.528	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)[C@@H]2CCCC[C@H]2C)c1	834925836	DZYMAYMIIXBIRZ-SJKOYZFVSA-N	318.417	3.636	50	20	DHGD	
CS[C@@H]1CC[C@@H](NC(=O)NNc2c(C)cccc2Cl)C1	838495332	OTDZFLAZBVFMOC-GHMZBOCLSA-N	313.854	3.559	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](OC)C1CC1	841025462	ZTLXJFXHQWQGCO-MRXNPFEDSA-N	318.442	3.748	50	20	DHGD	
CC[C@@H](C)OCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379485	WGNBSEOOBZHPLF-MRVPVSSYSA-N	324.730	3.617	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)c1cc2ccccc2cc1O	853258989	KXAFDQNOPQHZDE-UHFFFAOYSA-N	309.369	3.591	50	20	DHGD	
CCC[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)c1ccccc1	857408041	OMQJGBSZCJBFDM-SQWLQELKSA-N	324.262	3.860	50	20	DHGD	
Cc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)s1	916308922	ZJSRHMHGOLMGJJ-UHFFFAOYSA-N	302.443	3.723	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)o1	916353469	NSKXRKALIMQGFO-JTQLQIEISA-N	302.399	3.538	50	20	DHGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1	917623173	IUBJLCLZUFZIDP-GDNBJRDFSA-N	306.296	3.518	50	20	DHGD	
CC(C)(CCNC(=O)NNc1cccc(C#N)c1)c1ccccc1	920047901	YKODPXQXSSMTML-UHFFFAOYSA-N	322.412	3.552	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)cc1Cl	1262353917	QWVRUIPYUYXPJQ-SWLSCSKDSA-N	310.825	3.543	50	20	DHGD	
O=C(NN=C1CC2(CCCC2)C1)c1ccc(Br)cc1	1337763406	ZKNINQBQQFSMTE-UHFFFAOYSA-N	321.218	3.889	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1	44014056	GWFFVNJRJJGSEM-BRYHAGSVSA-N	320.392	3.870	50	20	DHGD	
COc1ccc(CCC(=O)NNc2cccc(Cl)c2)cc1F	53676327	BSPVECHUNARLOJ-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CCOc1c(OC)cc(/C=C(/C#N)c2ccccn2)cc1OC	65607076	RZPCTAUWTOTJEX-ZROIWOOFSA-N	310.353	3.562	50	20	DHGD	
FC(F)(F)c1cc(CBr)c(Br)cn1	95803734	BVLKJZHQFRSQPV-UHFFFAOYSA-N	318.918	3.758	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	115718913	NZCLPZTXDWOBMX-LLVKDONJSA-N	308.303	3.741	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(Cl)c[nH]1	124283214	OEGMPIIRXJMKHO-UHFFFAOYSA-N	322.554	3.871	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(Cl)c(Cl)[nH]2)c1	127790404	YAPDKXNRMXKSMI-UHFFFAOYSA-N	302.136	3.526	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2cccc(C#N)c2)cc1	152407153	WEQWJVUCUBLBBK-UHFFFAOYSA-N	307.397	3.723	50	20	DHGD	
CCc1ccsc1C(=O)NNc1nc(C(F)(F)F)cs1	152937434	UKJCBZYNXFKYLJ-UHFFFAOYSA-N	321.349	3.543	50	20	DHGD	
CCCc1sc(C(=O)NNc2ccc(C#N)cc2)cc1CC	155202587	FPYVFOOVQNLSOU-UHFFFAOYSA-N	313.426	3.892	50	20	DHGD	
N#C/C(=C\c1coc2ccccc12)C(=O)c1ccc2c(c1)OCO2	160226094	SXLSSMSTFIAKMN-NTUHNPAUSA-N	317.300	3.951	50	20	DHGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccncc1	163364232	CZZTZSQMHFCVEM-SSZFMOIBSA-N	321.380	3.806	50	20	DHGD	
CC(C)(CC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	172091414	ITYUDAVQSSSCHY-UHFFFAOYSA-N	322.330	3.915	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C1(c2cccc(F)c2)CC1	178500161	SGGUMEFWYSTMEB-UHFFFAOYSA-N	321.355	3.549	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)nc2)c1C	178611937	PAHPYFVMFLSWAX-LICLKQGHSA-N	322.412	3.764	50	20	DHGD	
CC(C)(C)C[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1	180502922	RTIKKSDEJIMGES-STQMWFEESA-N	319.536	3.614	50	20	DHGD	
Cc1ccccc1NNC(=O)Cc1nc(-c2ccccc2)oc1C	192516643	HDZCPBCMSFPQJU-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	194991639	CGQPXMUMQLBZOJ-OBNAIBOFSA-N	324.330	3.544	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1	211975628	ODRXDOCPTLHEJF-QOCWYBFNSA-N	306.365	3.626	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cnc1Cl	490725742	KCYIPRVKBBVKML-ZROIWOOFSA-N	311.772	3.613	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C/c2ccc(Cl)s2)cc1	493422979	QZLWFNXHMACNFA-CSKARUKUSA-N	322.817	3.957	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C/c2ccc3[nH]ccc3c2)cc1	493718063	GNXXQWXVOMQBKR-ONNFQVAWSA-N	321.380	3.723	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cccc(C)c1C	734299338	VBFGSHWMCYZSDY-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc4c3OCO4)[nH]c12	735618546	BNAACIYREMYVDR-JYRVWZFOSA-N	303.321	3.664	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	741470784	VVFLHCIGAJKHKK-GTUWVTDSSA-N	300.189	3.639	50	20	DHGD	
CC1=CC(=NNC(=O)c2cccc(Br)c2)CCC1	741767742	MPMCLQSYVXYVRE-UHFFFAOYSA-N	307.191	3.665	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2ccc(F)cc2)c(C)c1	743762380	SOZUMVGHYYEEGY-UHFFFAOYSA-N	300.377	3.827	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2nccc3sccc23)s1	746294655	XSAZSIGGRMEPPH-UHFFFAOYSA-N	318.427	3.633	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)C12CC3CC(CC(C3)C1)C2	747050879	JVVCOOQUSSXFPH-UHFFFAOYSA-N	321.424	3.880	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cc(C)ccc2C)c(Cl)c1	748415994	LJWUDXHOBUBJDA-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1ccc(F)cc1F	749530824	NOHYGEYBAVVGFB-HNNXBMFYSA-N	320.339	3.574	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCC[C@H](C)C2)c1	750093171	YUMYPZYODPWTPK-GXTWGEPZSA-N	319.474	3.529	50	20	DHGD	
CC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	752408795	QIJXUHIPLSLGJL-IZCBMXNHSA-N	300.377	3.771	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C[C@H]1CCCC(C)(C)C1	752719725	VHAPMGSGNZKNSD-AWEZNQCLSA-N	312.417	3.575	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1cc(Cl)nc(C)n1)C(C)C	755825459	VRYFMFXIIIFBPK-GFCCVEGCSA-N	312.845	3.734	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc3c(c2)ncn3C)c1	761200218	NVQURWIQAVFHBE-RQZCQDPDSA-N	315.376	3.980	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)COc1cccc(Cl)c1C	771689469	YLYDRTIDTJCYNP-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc3c(c2)CC(C)(C)O3)ncn1	773174826	YQERAUJVQCUEBT-AUWJEWJLSA-N	323.421	3.976	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C(C)(C)C)C(F)(F)F	775980414	GWWNYXQVIUHACP-LLVKDONJSA-N	321.318	3.737	50	20	DHGD	
C[C@H]1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	776488955	UPADRHCBYWPSJK-DTWKUNHWSA-N	304.287	3.724	50	20	DHGD	
C=CC[C@H](C(=O)OC[C@H](C)CBr)c1ccccc1	778430937	XHVGVMHZEXZBMG-OCCSQVGLSA-N	311.219	3.921	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(Br)cc1C	780992674	BAFCKTDMHJRMMD-PKNBQFBNSA-N	311.223	3.947	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1C=NNC(=O)C(C)(C)C	781122081	GCMYPGCXJRQIFJ-UHFFFAOYSA-N	310.397	3.858	50	20	DHGD	
COC(=O)/C(C#N)=C/c1ccc(Oc2ccc(OC)cc2)cc1	783684722	HZBSSYAFDAVVFJ-SDNWHVSQSA-N	309.321	3.567	50	20	DHGD	
COC1(C=NNC(=O)CSc2ccc(C)cc2)CCCCC1	790151338	GDDDIMWCAKWKFI-UHFFFAOYSA-N	320.458	3.538	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC[C@@H]2CCCF)c(C)c1	800808779	PINAULYJVRIXCK-OAHLLOKOSA-N	319.424	3.737	50	20	DHGD	
C/C=C(/C=C/C(=O)NNC(=O)Nc1ccc(C)cc1Cl)CC	802048667	WKEOATWQKOSZKO-ZMYUOXORSA-N	321.808	3.714	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(F)n1)c1ccc2ccccc2c1	804766244	CRAVBQMWVCKYNW-GFCCVEGCSA-N	309.344	3.621	50	20	DHGD	
O=C(NCC(Cl)Cl)C(c1ccccc1)c1ccccc1	808129119	MWZUEIYUIPJWFQ-UHFFFAOYSA-N	308.208	3.738	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(SC(F)(F)F)cc1	814987048	QRBIOVIPFKQAPV-UHFFFAOYSA-N	302.321	3.549	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)c1ccccn1	814995622	DIBJULDBQDUSNR-UHFFFAOYSA-N	323.183	3.934	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1Cc2cnn(-c3ccccc3)c2C1	815310833	MVPFITQNHPVTKS-YBFXNURJSA-N	312.376	3.753	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cc(C)ccc1F	815856515	OXJUFVPSITXBRH-UHFFFAOYSA-N	315.392	3.972	50	20	DHGD	
CCCN(NC(=O)c1ccn(C(C)C)c1C)C(=O)OC(C)(C)C	816650710	YIRMBCYWLHKHIM-UHFFFAOYSA-N	323.437	3.669	50	20	DHGD	
C[C@]1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC1(F)F	817439134	QNVLEBQWSGVEMC-CQSZACIVSA-N	307.252	3.699	50	20	DHGD	
Cc1c(CSC(C)C)cccc1NC(=O)NN(C)C1CC1	824205639	QXWLKJCNCUTHKS-UHFFFAOYSA-N	307.463	3.767	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)c(C(C)C)n1	827526425	PPPHPEUHFZVXGC-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCC[C@@H]1c1ccccc1	830609331	DBBAWTYAUWHAJN-CVEARBPZSA-N	324.428	3.627	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1[C@@H]1CCC[C@@H]1O	831167074	YQUCYTPAKOLFGW-XHSDSOJGSA-N	313.558	3.634	50	20	DHGD	
CCCC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCC1	832962522	BQNKPJNAZZVKII-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
COC[C@]1(C)CCN(C(=O)CCCC[C@@H]2CCSS2)C1	833544524	WXRGYRJNEIKJQY-UKRRQHHQSA-N	317.520	3.586	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(/C#N)C(=O)C1CCOCC1	834437816	BPMKRVWIUADXGK-WQRHYEAKSA-N	321.376	3.751	50	20	DHGD	
CCc1noc(CC)c1CC(=O)NNc1ccc(C(C)C)cc1	837054481	QYVPJOQDZZNGAV-UHFFFAOYSA-N	315.417	3.609	50	20	DHGD	
CSc1ccc(CCCC(=O)NNc2ncccc2C)cc1	843865385	MDUBNRGBJZYHPX-UHFFFAOYSA-N	315.442	3.578	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cccc(C(C)(C)C)c1	848374077	BSSZBSPUMDCRGP-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1ccc(-n2cncn2)cc1	853671016	YMDZUCWFPFGXGK-UHFFFAOYSA-N	319.481	3.668	50	20	DHGD	
FC(F)(F)C1=CCN(C[C@@H](CBr)C2CC2)CC1	859208380	MSSXUPDMHYBRPW-SNVBAGLBSA-N	312.173	3.602	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)[C@H]1CCCc2sccc21	885142765	ISSHSUKSZCDEAK-NSHDSACASA-N	308.353	3.590	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)C(C)(C)F)c(-c2ccccc2)n1	887282994	LYBFXIXXKTYMPX-GXDHUFHOSA-N	311.360	3.794	50	20	DHGD	
CC(C)(C)C(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21	915968896	BAJREUXGTYIWKQ-UHFFFAOYSA-N	301.365	3.510	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1c(F)cccc1F	915971068	BPLVHRBRWMPCLG-UHFFFAOYSA-N	303.312	3.819	50	20	DHGD	
CC(=NNC(=O)CSc1nc2ccccc2s1)C(C)C	916304321	MFYDNFOWEXGFLZ-UHFFFAOYSA-N	307.444	3.537	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1\COc2ccc(F)cc21	918154358	KYFBPJHXNIATNV-FOCLMDBBSA-N	322.339	3.751	50	20	DHGD	
Cc1cc(NNC(=O)c2noc3c2CCCCC3)ccc1Cl	928339525	FXBMJEIJAVQUML-UHFFFAOYSA-N	319.792	3.662	50	20	DHGD	
CC(C)(C)Oc1cccc(NC(=O)NNc2ccc(F)cn2)c1	934059262	VAOUHPUSPJFZRH-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
Cc1cc(CNC(=O)CCCC[C@@H]2CCSS2)ccn1	1325231048	OEKBLYDBBXQFPK-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
CC(C)c1nc(CCNC(=O)c2cccc(CCl)c2)cs1	1357880450	LOKHITRXXDZUAB-UHFFFAOYSA-N	322.861	3.978	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNc1ccccc1C(=O)O	1605211291	JNHGKWMXGKOMLK-AWEZNQCLSA-N	318.417	3.825	50	20	DHGD	
CC(CCCCCCC(=O)O)=NNC(=O)CCc1ccccc1	1776041056	OUFMNXRMQSZNRN-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
C[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC(C)(C)O1	68538266	STDFXMMYUPDFIR-QWHCGFSZSA-N	317.520	3.726	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1C	112224697	VFLPMPRZNRSFAQ-ZSOIEALJSA-N	322.330	3.764	50	20	DHGD	
C[C@H](CC(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	118509775	IUAPMAZMILUJAQ-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1cc(Cl)ccn1	122326157	CCULKZKYSIKTAY-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCCC(CCC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	132067669	LIJBYZSRMNIQNL-MRXNPFEDSA-N	304.434	3.544	50	20	DHGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1ccccc1F	152984793	NPCSWVMTRAQEDN-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
Cc1ncc(C(=O)NNc2cccc3c2CCCC3)c(C(C)C)n1	179020308	NUIYWZYKADMBPO-UHFFFAOYSA-N	324.428	3.544	50	20	DHGD	
CCS[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	183446094	QRLNXQAQRMSSSZ-JYGGGOIPSA-N	318.417	3.523	50	20	DHGD	
CCOCCC1(C(=O)NNc2c(F)cccc2Cl)CCC1	184674826	GOAUJRNBXJQNRL-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
C[C@@H](Cc1cccs1)NC(=O)NNc1ccccc1Cl	193796653	GZGJNMMYNLTKPQ-JTQLQIEISA-N	309.822	3.659	50	20	DHGD	
C=C(CBr)CN1CCCC[C@H]1[C@@H](O)c1ccccc1	369139507	JQVUTMICHQVDTI-HOTGVXAUSA-N	324.262	3.526	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@@H]2CCCC[C@@H]2C1	731487846	GJFLGWYLHQVGRD-UONOGXRCSA-N	300.402	3.771	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(O)c(C)c1)c1ccccc1	731932763	RCEHVQPQFPHMLU-KRWDZBQOSA-N	310.397	3.735	50	20	DHGD	
CC1(C)C[C@@H]1CNC(=O)NNc1ccc(Cl)cc1Cl	732894553	YOURTCQOBYZAJL-MRVPVSSYSA-N	302.205	3.666	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1ccc(C)c(C)c1	747051503	PMRXHROLAAOOPA-UHFFFAOYSA-N	310.397	3.613	50	20	DHGD	
N#Cc1cccc(NNC(=O)C2(c3ccccc3F)CCCC2)c1	748045487	MJWCCOAEWCDHIN-UHFFFAOYSA-N	323.371	3.652	50	20	DHGD	
O=C(CNc1ccccc1)NN=Cc1cc(Cl)ccc1Cl	753692331	HZSKVQUUYBZKEG-UHFFFAOYSA-N	322.195	3.556	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl	753697639	RYTXGQLXRRMWLF-UHFFFAOYSA-N	306.715	3.855	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C[C@H]1C[C@@H]1c1ccccc1	755701470	ZODKECRYJUOWFR-QZTJIDSGSA-N	317.392	3.547	50	20	DHGD	
CC(CC1CCOCC1)=NNC(=O)Cc1cccc2ccccc12	757585604	GOUHJPRNZPQJBE-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
CC[C@H](C(=O)NNc1c(Cl)cccc1Cl)N(CC)CC	763616121	VAVJUARIYTVAHJ-GFCCVEGCSA-N	318.248	3.557	50	20	DHGD	
O=C(NN=C1CCSc2ccc(Cl)cc21)c1ccccc1	767012972	XJMBNGLLFQQVMJ-UHFFFAOYSA-N	316.813	3.970	50	20	DHGD	
CC(C)CC(Cc1ccc(Cl)cc1Cl)=NN(C)C(N)=O	767910221	ZZTWHINVHXQMFX-UHFFFAOYSA-N	316.232	3.949	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@H]1CC=CCC1	768085084	AHJDHBQFRJIRNJ-VIFPVBQESA-N	318.179	3.867	50	20	DHGD	
COc1ccc([C@H](NC[C@@H](C)CBr)C2CC2)cc1	770669156	SOHWVLPAGYLLBD-XHDPSFHLSA-N	312.251	3.767	50	20	DHGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1	772179434	PKUAKTILQWRPIQ-DHDCSXOGSA-N	306.296	3.518	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H](C1CCCCC1)C(F)(F)F	775996312	YJDGZKIQOYLLRH-CYBMUJFWSA-N	315.339	3.824	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)NC1CCCC1	776190838	ZNFZCHUVGXUBLA-LCYFTJDESA-N	302.805	3.923	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CC(c2ccc(Cl)cc2)C1	783833188	QXFWRAXMJHRZEU-UHFFFAOYSA-N	304.699	3.642	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(OCC2CC2)cc1	790164845	DKPXBHQELKECOA-UHFFFAOYSA-N	300.402	3.506	50	20	DHGD	
Cc1cc2cc(/C=C(\C#N)C(=O)[C@H]3CCCOC3)oc2cc1C	794884448	PJTVZOBQSAPHTD-FSEGOYHTSA-N	309.365	3.952	50	20	DHGD	
C=C(CBr)COC(=O)Cc1c[nH]c2cccc(C)c12	795492419	VPGLANMNAFMRQH-UHFFFAOYSA-N	322.202	3.513	50	20	DHGD	
C=C(CBr)COC(=O)Cc1ccc(F)cc1Cl	795559608	QLFREULSEYDEDJ-UHFFFAOYSA-N	321.573	3.516	50	20	DHGD	
C[C@H](CC(=O)NNc1nccnc1C1CCC1)C1CCCCC1	805463933	OHCAOFPHUGIKQF-CYBMUJFWSA-N	316.449	3.794	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(Cl)c(F)c2)s1	810466122	QYGMEFVIDWWDHJ-UHFFFAOYSA-N	312.797	3.925	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1cccc(Cl)n1)c1ccccc1	814270686	BYTIYGOKEGPTSC-OAHLLOKOSA-N	318.808	3.758	50	20	DHGD	
CCN(C(c1ccccc1)c1ccccc1)S(=O)(=O)CCl	830093492	WGEIJEHSRBCHOI-UHFFFAOYSA-N	323.845	3.624	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C)c3c2CCC3)cc1	832861806	HUNNBHNQZLCCTL-UHFFFAOYSA-N	310.397	3.639	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	833474105	LFVROPMLSJVLQI-SNVBAGLBSA-N	312.797	3.554	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C2C[C@@H]3CCC[C@H](C2)C3=O)cc1	837055484	HVKXJOCCMQXLMT-XYPWUTKMSA-N	314.429	3.649	50	20	DHGD	
Cc1nccnc1COC(=O)CCCC[C@@H]1CCSS1	869326208	OWIHJSVFQNSBQD-GFCCVEGCSA-N	312.460	3.542	50	20	DHGD	
Cc1cocc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912579147	QREXUJWJAKKZQG-CYBMUJFWSA-N	309.482	3.824	50	20	DHGD	
COc1ccc(C)cc1C=NNC(=O)c1ccc2ccccc2c1	917546610	BYIZZSNVFUEMEG-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
C[C@H](CNC(=O)NNc1ccccc1Cl)c1ccc(F)cc1	920055985	XHACBGPZKVSYTE-LLVKDONJSA-N	321.783	3.909	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H](C)c2ccncc2)ccc1Cl	928338146	BMQRFWGDEZDWPW-NSHDSACASA-N	303.793	3.680	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1C[C@H]2C[C@@]2(c2ccccc2)C1	1120692777	JTWZSYVHFQMKLU-MJGOQNOKSA-N	311.812	3.839	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1F	1319995052	WCBYQIIGVGWXOG-MDWZMJQESA-N	310.284	3.832	50	20	DHGD	
ClCCCOc1ccc(CNCCC2CCOCC2)cc1	1324623663	QGQKXUXMLDPVNJ-UHFFFAOYSA-N	311.853	3.601	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1	1334937111	RQYDYGZEZHHACA-LBPRGKRZSA-N	304.340	3.828	50	20	DHGD	
CCOc1cccc(C=NNC(=O)c2ccccc2Cl)c1	1337445933	DTNKYMTTWBCNBL-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2c(o1)CCCC2	1348139579	HTWYXILXQFCQAB-UHFFFAOYSA-N	322.311	3.517	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccc(O)c2)c1C	6608405	PJGJFRGGTDZVBN-MHWRWJLKSA-N	306.365	3.786	50	20	DHGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)Nc1ccccc1	95949612	QEJYLPGXWZSTNP-RAXLEYEMSA-N	314.291	3.834	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CSc2ccccc21	118310154	DXKISNMDJGHRSB-ZDUSSCGKSA-N	304.802	3.673	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2ccc(OC(F)F)cc2)c1	122171968	JKCPXSJPSOEBOE-UHFFFAOYSA-N	320.339	3.672	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)C(C)C	123149734	MZLBLISWBVIYOY-GFCCVEGCSA-N	318.389	3.509	50	20	DHGD	
CCOCCC1(C(=O)NNc2c(C)cc(C)cc2C)CCC1	129389842	WPCRQURGEUNLFM-UHFFFAOYSA-N	304.434	3.652	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc(C(F)(F)F)cn1	131783596	SRXRUUKRXDWEAZ-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(F)cc2Br)c1	153876509	MTKVKJRAJLBQRV-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCCn1ccc2cc(NC(=O)NNc3ccccn3)ccc21	180400069	AQVAJRCAIMEQIF-UHFFFAOYSA-N	309.373	3.595	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)c1	182603643	MZFAWWPTUVVSCU-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
CC(C)c1cnc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)s1	183360234	SQWJQQVJDBGTLD-GHXNOFRVSA-N	315.373	3.951	50	20	DHGD	
COc1c(C)ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	194193533	BJPUROKVMSNRFX-GDNBJRDFSA-N	322.364	3.563	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2c[nH]c3ccccc23)s1	254394075	ZHXCJSUYNKTRQE-UHFFFAOYSA-N	311.410	3.946	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1	270898624	FDIAAQVMNUDFDN-CHWSQXEVSA-N	321.207	3.779	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	728716105	STWLBEQACMZHFT-MDZDMXLPSA-N	306.287	3.651	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)CNc2ccccc2F)CC1	729633522	ONYZXFTUPHHQLF-UHFFFAOYSA-N	305.397	3.556	50	20	DHGD	
C[C@@H]1CCCC[C@H]1N1CCC(=NNC(=O)OC(C)(C)C)CC1	733901514	AGNRBBIAEKYXFK-UKRRQHHQSA-N	309.454	3.542	50	20	DHGD	
N#C/C(=C\c1ccoc1C(=O)O)c1nc2cc(F)ccc2s1	739062502	QXSJITTVAITDDA-WEVVVXLNSA-N	314.297	3.791	50	20	DHGD	
Cc1ccoc1C=NNC(=O)c1cc2c(s1)CCCCC2	743429756	YFQSUOBJHZFLJL-UHFFFAOYSA-N	302.399	3.682	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC[C@@H](C)C2)c(Cl)c1	743825478	NIXAAFYAJQPTEZ-PWSUYJOCSA-N	323.824	3.627	50	20	DHGD	
Cn1ccc2c(C(=O)NNc3ccc(Cl)c(F)c3)cccc21	746700343	KDBXKFNRBKRDGK-UHFFFAOYSA-N	317.751	3.728	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cccc2cnccc12	748758789	DEKVFJQIASYYGY-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CCC(=NNC(=O)CNc1ccc(OC)cc1)C1CCCCC1	750918798	PGCVIHWEZVELQM-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1ccsc1	753315319	IJGKIJXLTLKVJE-SECBINFHSA-N	305.790	3.520	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1c[nH]nc1-c1ccccc1F	755698495	HEETXUMXJLYOHD-WQLSENKSSA-N	321.311	3.907	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cnc(Cl)c(C)c2)c1	760212456	YEBRCNPFOPXRPJ-AUWJEWJLSA-N	312.756	3.842	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1C[C@@H](C)C[C@H](C)C1	761274898	WKLLOIKJPFJPFU-STQMWFEESA-N	320.458	3.716	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761392476	MTJJMGLWKZCZDY-YVMONPNESA-N	303.214	3.878	50	20	DHGD	
COc1cc(NC(=O)NNc2ccccc2)ccc1OC(C)C	767967359	BQECGNYQXZPJBV-UHFFFAOYSA-N	315.373	3.631	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2ccc(F)c(F)c2F)c1	769923041	QNZYAJMDONNSFX-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H]1CCCc2sccc21	770404116	OURVQHCIOVOTSY-MWLCHTKSSA-N	317.248	3.742	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1cnc2ccccc2n1	774780465	YBXSWKDMOYSCFT-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccccc1OC(F)(F)F	779210889	QGPKXFKTTAMTQD-MDZDMXLPSA-N	302.296	3.775	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	781943170	BIZBIVPBXMKEIZ-SECBINFHSA-N	311.769	3.518	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(C)nc(Cl)c1)c1ccccc1	788715557	LFEPBHHNMZFELD-OAHLLOKOSA-N	315.804	3.687	50	20	DHGD	
CC[C@H](C)C(=O)NN=C[C@@H](C)c1ccc(C(F)(F)F)cc1	788995261	UOAGUROVWXSUOT-WDEREUQCSA-N	300.324	3.957	50	20	DHGD	
CSSCCNC(=O)NCc1cccc2ccccc12	790699146	WQKUKCXGJHGQFV-UHFFFAOYSA-N	306.456	3.650	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)COCc1ccccc1)c1ccccc1	794514418	JUQKGNXLNCLBIY-IBGZPJMESA-N	324.424	3.745	50	20	DHGD	
Cc1cc[nH]c1C(=O)NN=C(c1ccccc1)c1ccccc1	797811750	OMMLADUETQWYND-UHFFFAOYSA-N	303.365	3.506	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)c1ccoc1	798230942	VHVBOPZAWGNAHX-WZUFQYTHSA-N	318.126	3.538	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)Nc1ccccc1C	798312937	OPZPFVKGNBVDPD-CQSZACIVSA-N	305.422	3.754	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc3ccccc3cc2Cl)cc1	810043747	DNCHXLJFMZCXQT-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C/C(=C/c1ccc(C)cc1)C(=O)NN=c1cc[nH]c2ccccc12	810361363	MHSUFVXMKSOOSZ-SQFISAMPSA-N	317.392	3.512	50	20	DHGD	
Cc1nn(C)cc1C(=O)/C=C/c1ccc(OCCCCl)cc1	811686776	AGFWWUDDBUNUQR-RMKNXTFCSA-N	318.804	3.632	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)C)nn1C	812766542	JBGRSIXWFVMDAV-UHFFFAOYSA-N	314.433	3.732	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC(c3ccccc3)C2)c(C)c1	814758232	MIDXZFMDKRPPMZ-UHFFFAOYSA-N	321.424	3.765	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CC[C@H]2CNc3cccc1c32	814806446	BDSDGUIXSMFCSD-ZDUSSCGKSA-N	320.396	3.824	50	20	DHGD	
O=C(NN=CCC1CCCCC1)c1cnn(-c2ccccc2)c1	814848208	DQGWCAAQRFEMJI-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
C[C@]1(CN[C@H]2CCCNc3ccccc32)C[C@@H]1Br	857062961	GTGFYBNTEYPRMF-SOUVJXGZSA-N	309.251	3.697	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl	864366088	KAGGOGWNVKAJLN-HAAVITCDSA-N	307.777	3.879	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)C1(C(F)(F)F)CCC1	885106793	IUBHOHFYGGCZEQ-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1	912580932	BWPRPNRSBVTWJN-GFCCVEGCSA-N	319.468	3.654	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(N2CCCCC2)cc1	915974324	JUUBHNLZJRXSIZ-AWEZNQCLSA-N	301.434	3.563	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1c(F)cccc1F	916315533	USUUGUSICVJAGX-UHFFFAOYSA-N	320.364	3.669	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1scnc1C(C)C	928337350	POALGMBWRFXYJX-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-]	1122406330	JPHVVNOOHIXJFS-SNVBAGLBSA-N	321.279	3.891	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)NNc1ccc(F)cc1F	1319598672	KRQWKDYROSWJJK-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
Cc1cc(C)cc([C@@H](O)CNC(=O)c2cccc(CCl)c2)c1	1347069565	PDKCSPRNIPKOMG-KRWDZBQOSA-N	317.816	3.506	50	20	DHGD	
O=C(Nc1cccc2c1OCCCO2)C1CCC(Cl)CC1	1350224612	QENDNHYTQSWMGW-UHFFFAOYSA-N	309.793	3.584	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc3[nH]c(C(=O)O)cc3o2)cc1	1777433627	LIOYXXZKHBSTQT-WUXMJOGZSA-N	320.304	3.557	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	45150420	SYTGPKUYNWPJGL-KRWDZBQOSA-N	308.385	3.582	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(F)c(F)c2F)c1Cl	123643072	TXPFIKNEEYIRKN-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H](c1ccccc1)C1CC1	130446726	ZAJZZPIWBQNLLI-INIZCTEOSA-N	300.789	3.977	50	20	DHGD	
Cc1cccc2c(CCC(=O)NNc3ccccc3F)c[nH]c12	152833577	HPQWFXCDXVGIDR-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
COCc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	153755222	NQRBNWRMIIUQHC-UHFFFAOYSA-N	324.302	3.609	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(F)c1)c1ccccc1Cl	154421473	WMJNIVBYQGFEHM-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccncc1Cl	154487317	ZSUFKGIEGIFZDB-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2nc3ccccc3cc2C)c1	181270415	TUZXISHBBKDROQ-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)Nc1cccc(C#N)c1	181410717	QOEABNHDYUQTNR-UHFFFAOYSA-N	317.352	3.564	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cc(Cl)ccn1)c1ccccc1	182993346	PHBUTWNCJQVJAW-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
COc1ccc([C@@H](C)N(C)C[C@H](C)CBr)cc1	248673691	CCSXREYYPALTTJ-VXGBXAGGSA-N	300.240	3.719	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1	252620702	MKCUCKLRQJKGTM-UHFFFAOYSA-N	309.394	3.654	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C#N)cs2)c(C)c1	255092597	QSBDHOIBELOVHC-VGOFMYFVSA-N	307.378	3.782	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)C(C)C)c1C	255710634	BTUDQUWBLNGYLF-BOPFTXTBSA-N	301.434	3.679	50	20	DHGD	
CC(C)[C@H]1C[C@H](CC(=O)NNc2cccc(Cl)c2)CCO1	272990776	MRPBSOSRKYOWAO-IUODEOHRSA-N	310.825	3.624	50	20	DHGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1-c1cccs1	273379345	ZMZBHESNLZDHDG-UHFFFAOYSA-N	317.414	3.614	50	20	DHGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1	280955293	KAVUYXLLFZPBKL-KFXAOSDLSA-N	313.397	3.624	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(Cl)nc1	294832776	DLIMFDZVKQOXFO-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1scnc1C1CC1)C1CCCCC1	491100938	BZDWEODFHBNEOR-UKTHLTGXSA-N	315.442	3.719	50	20	DHGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)N1CC=C(C#N)CC1	492580338	JMWLXHZNCAADDV-WHLNPGIBSA-N	310.397	3.559	50	20	DHGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1ccc[nH]1	725855325	YNPCYMFUEFFKTN-UHFFFAOYSA-N	303.774	3.647	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(C)c(C)c1O	728156713	MPVOUDRQZWSKLI-UHFFFAOYSA-N	324.424	3.872	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cccc(OC(F)F)c1	728434422	IVEYDISQAYPFGJ-UHFFFAOYSA-N	322.311	3.620	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1oc(C(C)C)nc1C#N	735272242	ZNGIQRUWBYCWAS-GFCCVEGCSA-N	306.410	3.719	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1occc1Br	735305842	XUTOUDOJTKUBBZ-TWGQIWQCSA-N	306.115	3.733	50	20	DHGD	
N#C/C(=C/c1nccc2ccccc12)C(=O)Nc1ccccc1F	740764465	WGOFYXFRLGGATM-KAMYIIQDSA-N	317.323	3.920	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccc(Cl)cc2)cc1	741767237	PLWBCOPGVGVYEM-UHFFFAOYSA-N	316.792	3.562	50	20	DHGD	
C/C(=C/C(=O)NNC(=O)c1cccc2ccccc12)C(C)(C)C	742706365	VAHYWTQKBHUDPK-SEYXRHQNSA-N	310.397	3.593	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	747007078	QITPIGDNOJANGL-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
CCN(CC)c1ccc(C=NNC(=O)CC2CCCC2)cc1	749452519	OLWFVBZPDUYGEY-UHFFFAOYSA-N	301.434	3.563	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C(C)CC1CCCC1	752721228	BBRAYGHNRPHONI-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2ccc(-c3ccccc3)nn2)C1	756780309	BKWRJYSLTUNWOG-OAHLLOKOSA-N	324.428	3.803	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cnc1Cl	760211629	NXAPUROYHITOOH-MDWZMJQESA-N	308.772	3.994	50	20	DHGD	
COc1ccc(N(C)C[C@H](C)CBr)cc1Cl	770658542	YGUZEBOXUSTWIT-SECBINFHSA-N	306.631	3.816	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(C2CC2)cc1	775708277	SNGKHXDTOFZMRS-UHFFFAOYSA-N	303.312	3.991	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1cc(Cl)ccn1)c1ccccc1	778589604	CMHPJYJJDRQMGH-HNNXBMFYSA-N	318.808	3.758	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)on2)[C@@H]1C	781123743	HOETWIOUOIYVLB-CHWSQXEVSA-N	311.385	3.884	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788992420	ZQNURZVPVPUJLV-UHFFFAOYSA-N	321.833	3.960	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@H](C)O2	794874418	KYIDIBGTOFDDBU-IYVNWDGISA-N	313.397	3.931	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CCC(F)(F)C1	795192861	ODMIIADSPMLLBX-SSDOTTSWSA-N	309.143	3.872	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](c3ncccc3C)C2)o1	799111859	WILCONSDCJEJED-AWEZNQCLSA-N	311.385	3.735	50	20	DHGD	
COCC1(CNC(=O)CCCC[C@@H]2CCSS2)CCC1	800344330	FCMHJQFVODRVEX-CYBMUJFWSA-N	317.520	3.633	50	20	DHGD	
CSSCCNC(=O)NC(C)(C)CCc1ccccc1	806714591	DKTCCYJBMHXCAW-UHFFFAOYSA-N	312.504	3.708	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccccc1OC1CC1	807120920	UTNYVWAGBRKYDM-UHFFFAOYSA-N	302.761	3.638	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)N(C)CC(Cl)Cl	808248984	VGSQWGNFXMTENA-JTQLQIEISA-N	324.635	3.760	50	20	DHGD	
C[C@@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@H](C2CC2)O1	811498374	STPUHVFCBRKXSE-RDTXWAMCSA-N	323.864	3.694	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nc(C)c(C)s1	812767681	PHCAIRPISLRJAD-UHFFFAOYSA-N	303.431	3.949	50	20	DHGD	
CC(C)OC1CC(=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C1	814759937	SZRUFFXAAZVFLM-YNODCEANSA-N	320.458	3.546	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)c2ccc(C)o2)c1	814991597	OXXRBIDJBLOGFH-UHFFFAOYSA-N	321.764	3.796	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(Cl)n1)c1ccccc1F	817007929	WEUOOOHINICPGR-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(C#N)c(Cl)c1	828352353	HIQKQLDBJIHWOD-MRVPVSSYSA-N	319.714	3.633	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCO[C@@H](C(C)C)C1	830096716	IUMUTSFEJLEVIV-SWLSCSKDSA-N	310.825	3.543	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(OC)cc2)c1	834430623	UIAHLXMNMPPAHU-KWZJRMENSA-N	323.396	3.793	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccncc1F	836003691	GQLKDTHFJBVJOG-LBPRGKRZSA-N	315.435	3.978	50	20	DHGD	
CN(NC(=O)c1cc2cc(F)ccc2s1)C(=O)OC(C)(C)C	838364546	LDLFAWCVCXXNAX-UHFFFAOYSA-N	324.377	3.552	50	20	DHGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1ncnc(Cl)c1C(C)C	840544673	HXMNCZZFOUGWDP-GHMZBOCLSA-N	310.829	3.523	50	20	DHGD	
COc1cc(F)c(/C=C(/C#N)C(=O)CC(C)(C)C)cc1OC	844274411	BPFOODROQIKDGG-SDQBBNPISA-N	305.349	3.755	50	20	DHGD	
CC1CC(C#N)(C(=O)NNc2ccccc2Oc2ccccc2)C1	846462990	LCOQCBNZEKVCCL-UHFFFAOYSA-N	321.380	3.862	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2cccc(Cl)c2)C1)c1cc[nH]n1	853391890	ZFZGQIIQKLYGOT-GFCCVEGCSA-N	316.792	3.507	50	20	DHGD	
CC(C)(C(=O)NCCCSC#N)c1ccc2ccccc2c1	854361930	SMWIQOITZVCPEW-UHFFFAOYSA-N	312.438	3.838	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccnc(Cl)c2)CCC1	855465156	IMDGCPVFNVKPTK-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
C[C@@H](C(=O)NNc1nc2ccc(Cl)cc2s1)C(C)(F)F	856234904	LDVBWCGLLFTHID-LURJTMIESA-N	319.764	3.684	50	20	DHGD	
Cc1cnc(C(C)(C)NC[C@H](CBr)C2CC2)s1	859249265	WWGGHKWIAQGXAJ-NSHDSACASA-N	317.296	3.697	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1ccc(Cl)cc1F	885106626	CWKVBTBRBUXZLC-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
Cc1cnccc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583660	YZSFHLYJZHRIKG-CQSZACIVSA-N	320.509	3.626	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cc(C)sc1C	915928671	OLJIBNUVPBGDPX-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(Cl)cc1)c1ccco1	916273755	RWKQWBGUWBOXFP-UHFFFAOYSA-N	308.790	3.566	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1	916336752	OEAYQHKCTKIYDW-QGZVFWFLSA-N	324.424	3.838	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(Cl)c1)CC(C)(C)C	916724589	GRDQYVGMGWPFSG-NSHDSACASA-N	310.825	3.563	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	1318605618	QFSHXBGHYXDPBR-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
Cn1cccc1C(=O)NN=CC1CCC(c2ccccc2)CC1	1321652909	ONDPDJBEDIUZFF-UHFFFAOYSA-N	309.413	3.715	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2ccc(-c3cnn(C)c3)cc2)n1	1325016308	OIVWLQBNFSJUDT-CHHVJCJISA-N	306.394	3.916	50	20	DHGD	
CN(C)[C@H]1CCCC[C@H]1NCc1ccc(OCCCCl)cc1	1327574293	WYNIZQFHRMGBSJ-MSOLQXFVSA-N	324.896	3.657	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)c2ccncc2)cc1Cl	1348460391	ZNPIIDTZYJQHJJ-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
O=C(NC[C@H]1CCOC2(CCC2)C1)c1cccc(CCl)c1	1358268254	WOMZBMCBJOQUEP-AWEZNQCLSA-N	307.821	3.505	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3o2)ccc1C(=O)O	1777285451	ASVJHFDRBGAXJV-XYOKQWHBSA-N	320.304	3.599	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1OC	5130864	OSJJNOHPNBVAKX-RVDMUPIBSA-N	322.364	3.558	50	20	DHGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1	6828089	QIBHQXGRWILRPG-LDADJPATSA-N	320.392	3.697	50	20	DHGD	
Cn1cc(C(=O)NN=C2C3CC4CC(C3)CC2C4)c2ccccc21	7917102	FJFUKPZPVHPVTM-UHFFFAOYSA-N	321.424	3.720	50	20	DHGD	
N#C/C(=C/C1=Cc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1	78350963	KPGDXHMJGWMBMC-YBEGLDIGSA-N	304.305	3.978	50	20	DHGD	
CC(C)(C)OC(=O)NCc1cccc(CCBr)c1	95930291	FOEGCHILPJMDRT-UHFFFAOYSA-N	314.223	3.649	50	20	DHGD	
CO[C@H](C(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1	103277131	DGVLWWMWAIHMEF-AWEZNQCLSA-N	324.302	3.536	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccccc1Cl	120006533	IPNUJYVLFYYQEZ-UHFFFAOYSA-N	300.789	3.976	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1ccc(OC(F)F)cc1	122782115	DLKPQNWCGGWEBB-UHFFFAOYSA-N	320.339	3.754	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1COc2ccccc21	133055984	ZDXNOOAMTTUIQV-SNVBAGLBSA-N	323.179	3.613	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1cccc([N+](=O)[O-])c1	151516024	ILWXWVDSYYLDSX-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
COc1ccc(C(=O)NNc2cccc(F)c2)c2ccccc12	155030443	KEMRGLLDJULGLF-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
O=C(NNc1ccccc1)C1(c2ccc(F)cc2F)CCCC1	155225826	MVEYPLAAIJPEHB-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2ccccc2Cl)cc1	158375988	GDBXMFJWFBXAPO-UHFFFAOYSA-N	302.761	3.662	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1	158747880	VMDYHCVOGGYHFK-CVEARBPZSA-N	300.789	3.895	50	20	DHGD	
CC1(C)C[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	163291904	MJCYZHCRWRQSLJ-OAHLLOKOSA-N	319.449	3.568	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)Nc1ccncc1	180565725	SKVHPPXKIOGIHY-JLHYYAGUSA-N	303.321	3.682	50	20	DHGD	
Cc1nc(-c2cccc(NC(=O)NNc3ccccn3)c2)oc1C	180687050	OAOBVADGEOPCMM-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@@]2(C1)OCc1ccccc12	186598417	OWSLBRHEEHTPGV-WGKANWEYSA-N	320.367	3.822	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)C(=O)NC1CCCCC1	275223586	RMFBNPRVGFZISO-DHZHZOJOSA-N	324.211	3.744	50	20	DHGD	
C=C(CBr)CN(C)[C@H]1CCCc2nc(C)sc21	279822966	YHSABFWLVLVVCX-LBPRGKRZSA-N	315.280	3.712	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)c(F)c2)C1	280113759	AXBRIOYUQJFYKB-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F	295814729	FZFPSTKUOKRSOU-JXMROGBWSA-N	301.239	3.809	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC(C)(c2ccccc2)C1	731486952	GUKPMMARKBMTHK-UHFFFAOYSA-N	308.381	3.533	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cccc(-c2ccncc2)c1	741451035	JOIWBWYQUFNFNE-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	741930320	PYZRLARZFCRARH-WBVHZDCISA-N	318.461	3.934	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cn(C)c3ccccc23)cc1C	744780356	LMBRNLGPYIOMNW-UHFFFAOYSA-N	319.408	3.867	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@@H]2C[C@H]3CC[C@H]2C3)c1	747576491	REECOIKEGKNOPZ-QNCGWQGWSA-N	311.381	3.582	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C(F)=C1CCCC1	748502336	VYHYURWXNWKZJV-UHFFFAOYSA-N	318.270	3.826	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2nccnc2C(C)C)c(C)c1	770073642	ODQJWQFCHNFRCD-UHFFFAOYSA-N	313.405	3.674	50	20	DHGD	
O=C(/C=C\c1ccccc1F)NNc1c(F)cccc1Cl	770198214	MTPUDPJWULZBPY-HJWRWDBZSA-N	308.715	3.775	50	20	DHGD	
CCC[C@@]1(C)CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	776667075	YFLXHHYFMIRFPG-UIRWJGRMSA-N	312.413	3.728	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)C[C@@H](C)CC)cc1	791085793	CGZBQLBYFGNMCJ-ZDUSSCGKSA-N	321.490	3.783	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1C#N	799497106	HJAQOLAFHSUNAH-MFOYZWKCSA-N	302.333	3.665	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)CCCCC(C)(C)C	804534803	FMTBESYMZLPENI-UHFFFAOYSA-N	306.406	3.523	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cc(OC)cc(OC)c1	807951035	DXGZVFMWZULRTD-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
CN(C)[C@H]1CCC[C@@H](NCc2ccc(OCCCCl)cc2)C1	811483001	ZSUCFGXKXDYYKG-SJORKVTESA-N	324.896	3.657	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1CSCCS1	812765411	HYKVINDGJQBAHU-CYBMUJFWSA-N	324.515	3.800	50	20	DHGD	
CO[C@](C)(C=NNC(=O)c1ccc(C(C)(C)C)cc1)C1CC1	814741684	KONNFSOZQGVTSV-GOSISDBHSA-N	302.418	3.515	50	20	DHGD	
CCCc1[nH]ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	817551795	VDFOVLCASFMBRY-UHFFFAOYSA-N	311.307	3.743	50	20	DHGD	
C/C(=C\C(C)(C)C)C(=O)NNc1cc(Cl)nc(Cl)c1	819746542	AMEBTBDSFSOLQT-BQYQJAHWSA-N	302.205	3.824	50	20	DHGD	
Cc1cccc(NNC(=O)c2cn(CC(C)C)nc2C(F)F)c1	824220944	GHARYIVUHHOXLV-UHFFFAOYSA-N	322.359	3.542	50	20	DHGD	
C=CCC1(C(=O)NNc2cccc([N+](=O)[O-])c2)CCCCC1	827169183	IMXFSYRGSOBEFP-UHFFFAOYSA-N	303.362	3.565	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cnc(-c2ccccc2F)s1	834918804	INYHCZUSXXFLKX-UHFFFAOYSA-N	321.377	3.808	50	20	DHGD	
CC(=O)[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	854734149	NOAPTXVJXRQLAX-KGLIPLIRSA-N	315.504	3.671	50	20	DHGD	
C[C@@]1(CNCc2cc(F)cc3cccnc23)C[C@@H]1Br	856806761	HWJCBPQYEZTFPM-ZFWWWQNUSA-N	323.209	3.637	50	20	DHGD	
Cc1cccc(C(=O)NC[C@]2(C)C[C@H]2Br)c1Cl	857393576	LMGVVAMHDVXDCU-MFKMUULPSA-N	316.626	3.552	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)C1(C(F)(F)F)CCC1	863082536	MRTYZOPRPLRUCG-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2C2CC2)cc1C	899345935	YQTFBVWRAHPFNM-CXUHLZMHSA-N	305.381	3.704	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccccc2C(F)(F)F)c(C)n1	905842753	FSOAAMRTRUMDJU-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1	916201789	BAEYFPURCKNECQ-INIZCTEOSA-N	319.355	3.988	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1cc(C)ccc1O	916254506	YHYGEMPECKOUCJ-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(C)c(C)c1	916281211	SMSNOZGIVAKLNF-UHFFFAOYSA-N	309.413	3.523	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(Cl)s1	916326722	MANNHJAEWJOXGA-UHFFFAOYSA-N	322.817	3.629	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(Cl)cc2)cc1	916345531	DOWPGOZLZFQRMD-UHFFFAOYSA-N	318.829	3.891	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCCC2)NNc1ccccc1Cl	916555851	PWQOXGFYHVDOCF-UHFFFAOYSA-N	314.816	3.905	50	20	DHGD	
Cc1cc(OC(=O)c2cncc3ccccc23)ccc1[N+](=O)[O-]	917615501	UTGBKEOPOMTECQ-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1C[C@H]1c1ccncc1	1141543349	XNIDWYGDQVHIIF-DLBZAZTESA-N	309.413	3.760	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)ccc1F	1319571926	LFCFKYVMSYYDKZ-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCC[C@@H]([C@H]2CCOC2)C1	1336113721	HIYYYGNHFLPJDX-SJORKVTESA-N	321.848	3.704	50	20	DHGD	
CC(C)N1CCC(CCNC(=O)c2cccc(CCl)c2)CC1	1336602774	ZMRZZNHQUUFGAL-UHFFFAOYSA-N	322.880	3.666	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)cc1	1777465240	ZXEZAEDPPDFUQI-SXSSDGSKSA-N	317.344	3.883	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2ccc(F)cc2F)c1	84631709	AALOYOGHGPDEFX-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)NCc1ccc(C)cc1	114992076	ZUJYRBVGWWINFP-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1csc([N+](=O)[O-])c1	125630522	HASZCXPNQYCWGE-WMZJFQQLSA-N	304.352	3.816	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ccc(C#N)cc2)c(C)s1	155162946	HSAHPWUDYMBFLX-UHFFFAOYSA-N	313.426	3.703	50	20	DHGD	
CCSc1cccc(/C=C(\C#N)C(=O)NC2CCCC2)c1	184548413	XIBVFAWOFHPKCB-GXDHUFHOSA-N	300.427	3.764	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	192098750	KGZJSDBSVUSBBF-LCYFTJDESA-N	317.332	3.785	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(OC(F)F)c1	192724554	VPMHOMGDFMYJTM-UKTHLTGXSA-N	308.328	3.501	50	20	DHGD	
COc1ccc(C(=O)NNc2cccc(C)c2)c2ccccc12	194543320	UGXRRUMZXXBGRD-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1ccccc1F	212683209	QXYRYAHWLNZAJH-QINSGFPZSA-N	305.308	3.628	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OC(C)C)c(Br)c1	255588736	JKFCADCNENDSAP-GHXNOFRVSA-N	308.175	3.616	50	20	DHGD	
COc1cccc(F)c1C(=O)NNc1ccc(C(C)(C)C)cc1	272803403	JORPKEOEBGBBLQ-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c1	272885283	WDZICJYOWAGYLQ-RDJZCZTQSA-N	304.434	3.588	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2ccc(Cl)cc2Cl)CC12CCCC2	295600512	YBIFYXYWRPDZEB-OAHLLOKOSA-N	324.211	3.911	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)nn2C)cc1	491102337	HNKILJRRRYZTSQ-XDUBLRSXSA-N	322.412	3.788	50	20	DHGD	
COC(=O)N(C)N=Cc1ccc(Oc2ccc(OC)cc2)cc1	495613009	ORLVBMXFIOJXTH-UHFFFAOYSA-N	314.341	3.520	50	20	DHGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1ccc(C(C)C)cc1	725857288	HBVOTUHLXUDQEP-UHFFFAOYSA-N	315.442	3.658	50	20	DHGD	
N#C/C(=C/c1cn(-c2ccccc2)nn1)c1ccc2ccccc2n1	728699725	WABHGVRPYCVQKP-VBKFSLOCSA-N	323.359	3.880	50	20	DHGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)c1ccc(Cl)nc1	731925549	JNTCCSFLMKKGOL-UHFFFAOYSA-N	315.804	3.782	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(N(C)C)cc1)c1ccccc1	731932086	YFACVTXTBZQGLP-LJQANCHMSA-N	323.440	3.787	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@@H]2C[C@H]3CC[C@H]2C3)c1	747576493	REECOIKEGKNOPZ-VFUDRUDDSA-N	311.381	3.582	50	20	DHGD	
CCCC1(C(=O)NNC(=O)c2cccc3ccccc23)CCC1	759223599	JSQRASVDKBIOBV-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)c1	759321765	NMRSLBWFVXKILO-CABCVRRESA-N	306.381	3.516	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1ccc(F)c([N+](=O)[O-])c1	771596641	YBCBWGFAIZCIDG-UHFFFAOYSA-N	323.368	3.928	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCOc1cccc(Cl)c1	771706866	GYPSCKBTJBACDH-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
N#CSCCCNC(=O)C1(Sc2ccccc2)CCCC1	773592120	BCLVZBYLKZKEGW-UHFFFAOYSA-N	320.483	3.812	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)Cc1ccccc1F	774385655	POXVSVLVUPAQEZ-UHFFFAOYSA-N	304.287	3.593	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC[C@@H](C)C2)c1C	781615150	OQBKLRZQQLSURT-GOYIASJBSA-N	313.445	3.727	50	20	DHGD	
COc1ccc(C)cc1COC(=O)/C(C#N)=C\c1ccccc1	785362964	BGGQTRYKMIPLND-WJDWOHSUSA-N	307.349	3.654	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@H]1CCCc2c1cnn2C	788020828	IZULSFPWGCYYJD-HNNXBMFYSA-N	323.557	3.751	50	20	DHGD	
COc1cc(NNC(=O)C2C[C@H](C)C[C@@H](C)C2)ccc1Cl	790188369	ZYHQRNZAOXYZSS-GHMZBOCLSA-N	310.825	3.864	50	20	DHGD	
Cc1nc(Cl)ccc1NC(=O)[C@H](Br)C(C)(C)C	790238835	OYPOGOKSVOAVKZ-JTQLQIEISA-N	319.630	3.792	50	20	DHGD	
CSSCCNC(=O)[C@H](C)CSCc1ccccc1	791093765	ANGATBCZEVINBN-GFCCVEGCSA-N	315.529	3.683	50	20	DHGD	
CSSCCNC(=O)CCc1ccc(C)c(Cl)c1	791114024	TUWGCNNPQNSOHG-UHFFFAOYSA-N	303.880	3.708	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(Cl)cc(Cl)c1)C(F)(F)F	791726536	IENYMTKZUXQDTD-YFKPBYRVSA-N	301.095	3.635	50	20	DHGD	
C=C[C@H](CC(=O)OCC(=C)CBr)c1ccccc1	795565352	DNUOCTQUJGKWHZ-CYBMUJFWSA-N	309.203	3.841	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC1CC1	797398445	NRMFKHFVGZBUCR-RIYZIHGNSA-N	317.772	3.765	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1cnccc1C	799615168	YNMGOWQMMDLXOB-AWEZNQCLSA-N	312.417	3.648	50	20	DHGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)NCCc1ccccc1	799888894	ITTKYORWRNNZGM-LDADJPATSA-N	324.811	3.691	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(Oc2cccc(F)c2)cc1	814990352	MVBPXVGSWUQTRJ-UHFFFAOYSA-N	312.344	3.868	50	20	DHGD	
COc1ccccc1CNC(=O)NNc1ccc(C(C)C)cc1	836243737	FZVBMJDBNXMSKJ-UHFFFAOYSA-N	313.401	3.645	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@@H](OC2CCC2)C1	847039540	ZDKRWDLKFMEJOM-RMFUMNGISA-N	300.377	3.724	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cn1)[C@H](C)c1ccccc1	852165949	ARNFLCURSHXHHP-NWDGAFQWSA-N	318.808	3.553	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccnc(Cl)c1)c1ccccc1	855468465	YLLTWGUDUMYCKG-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1ccc(C)c(F)c1	856229320	GOEBOPGVWZVLEF-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
COc1cccc(NNC(=O)CC(C)(C)C2CCCCC2)n1	857482641	FQHADAXNMDISJC-UHFFFAOYSA-N	305.422	3.530	50	20	DHGD	
CC[C@@H](c1ccncc1)N(C)C[C@H](CBr)C1CC1	859216447	JIPAJZLDZNECJF-GJZGRUSLSA-N	311.267	3.886	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NN[C@@H](C)C(F)(F)F)s2)o1	862316183	MLEKXBPNLQRVII-QMMMGPOBSA-N	318.320	3.502	50	20	DHGD	
COC(=O)c1csc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	864366184	MNPNCXFZDMDYFX-ONNFQVAWSA-N	316.407	3.933	50	20	DHGD	
C[C@@H](CCc1ccc(F)cc1)C(=O)N(C)CC(Cl)Cl	868373396	OCCLJURZZMEVKY-JTQLQIEISA-N	306.208	3.657	50	20	DHGD	
Cc1nc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)[nH]c1C	878939184	NCICDDMFAWQMJB-CQSZACIVSA-N	309.530	3.623	50	20	DHGD	
C[C@@H](NS(=O)(=O)CCCCl)c1csc2ccccc12	881866108	QCMGGRPEZMDJAS-SNVBAGLBSA-N	317.863	3.511	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)[C@H]1CCCC(F)(F)C1	885137507	ZROAYKXXPBEDHF-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](CC(C)(C)C)c1ccccc1	917600736	ABZABDBADZTKHD-QJPKHSJYSA-N	300.402	3.724	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)C2CCC(Cl)CC2)cc1[N+](=O)[O-]	1123657959	ZOQIOKMLEYUHGU-LKSINWNRSA-N	324.808	3.878	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)CC2CCCCC2)c1	1320209273	CQUOBGQDGPXLRJ-CYBMUJFWSA-N	318.417	3.523	50	20	DHGD	
CN1CCCN(C(=O)c2cccc(CCl)c2)c2ccccc21	1335806049	HMGGGHCNKPIOMK-UHFFFAOYSA-N	314.816	3.912	50	20	DHGD	
C=CC[C@@H](C(=O)O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	1588728044	BHBGRKACVDOJPZ-KGLIPLIRSA-N	313.514	3.502	50	20	DHGD	
COc1ccccc1Oc1ccc(NC=C(C#N)C#N)cc1F	67182347	AEYQGQAPDUMLME-UHFFFAOYSA-N	309.300	3.970	50	20	DHGD	
C[C@@H](c1ccccc1Cl)N(C)S(=O)(=O)CCCCCl	88949562	QGAZXYABIWLVSP-NSHDSACASA-N	324.273	3.682	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1cc(Cl)ccc1F	91991346	IIOQKGMFVQFMJS-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1cc(OCCCC(=O)NNc2ccccc2)ccc1Cl	97637572	KQZSVINOSRRGNE-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OCCOC)cc1	107099463	LBZDIGIDWQXKLV-VBKFSLOCSA-N	301.386	3.624	50	20	DHGD	
Cc1ccccc1NNC(=O)c1c(-c2ccccc2)noc1C	120285740	CAWKCWNTZLMMLA-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1ccoc1C(=O)NNc1c(Cl)cc(F)cc1Cl	124087961	SELXOKHPGIFZSK-UHFFFAOYSA-N	303.120	3.791	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1SCCc2ccccc21	158251315	SYEBALZVTPMGKS-HNNXBMFYSA-N	318.829	3.814	50	20	DHGD	
Cc1ccc(NNC(=O)c2oc3ccccc3c2CN(C)C)cc1	158778622	AQZQPSPGBBIKLQ-UHFFFAOYSA-N	323.396	3.560	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C[C@@H](C)c1ccncc1	159392862	ZUMPAJCVGADVEX-LLVKDONJSA-N	314.341	3.706	50	20	DHGD	
CC(=O)c1cccc(NC(=O)NNc2ccc(Cl)cc2)c1	170697125	IDAGJQOAVGXUQS-UHFFFAOYSA-N	303.749	3.691	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	173014791	LTPXFNPRHAMNOG-GZTJUZNOSA-N	306.365	3.687	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccc(Br)cc2)C1	175221005	DMRINOIUSVIJGF-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
O=C(NCc1nc(C2CC2)cs1)NNc1ccccc1Cl	178227904	KTDVKRBINBVZPM-UHFFFAOYSA-N	322.821	3.500	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(SCC)c1	192096247	PRTVCJDRICUUCV-RVDMUPIBSA-N	309.456	3.878	50	20	DHGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)c1ccco1	212645671	NHYPUMVMHHPDRX-XFFZJAGNSA-N	302.127	3.832	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCCO2	254990847	IPMKKFWYTCLUQN-WUXMJOGZSA-N	305.761	3.633	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3ncccc3Cl)CC2)c1	265171212	OTSICDIYCLKXDX-UHFFFAOYSA-N	315.804	3.527	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1c(F)cccc1Cl	727689643	XMSJADVRUYLHMO-UHFFFAOYSA-N	318.779	3.952	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	727777388	NSJUABGXUUSTHZ-XJKSGUPXSA-N	302.418	3.775	50	20	DHGD	
CCCCC1CCC(NC(=O)NNC(=O)CC(C)(C)C)CC1	728746815	OPLSXUHDDBHHPW-UHFFFAOYSA-N	311.470	3.502	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(CC)CC)cc1	729433775	UKHBQSAQJGFVQX-LFIBNONCSA-N	300.402	3.545	50	20	DHGD	
CCCCCCCCC(=O)NNc1cnnc2ccccc12	733811682	NGRYEJFTMNHPGK-UHFFFAOYSA-N	300.406	3.824	50	20	DHGD	
O=C(NCC1(c2cccc(Cl)c2)CC1)NNc1ccccc1	740484109	NDQDUTFUWMSYFM-UHFFFAOYSA-N	315.804	3.698	50	20	DHGD	
COc1ccccc1C1(C(=O)NNc2cccc(Cl)c2)CC1	749165252	PRMBMGYFHSVXMK-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1cc(C)ccc1O	749823486	LBRGMNSRLCZACR-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ccc(Cl)nc2)s1	751069738	RXHUNJYARQURHZ-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
Cc1cccc2c1CC[C@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1	752030252	PQAFOKMVNCITBO-FERCGXDMSA-N	320.367	3.845	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2ccc3ccccc3n2)o1	752157764	PXUPCPIQFAPQQH-UHFFFAOYSA-N	307.353	3.544	50	20	DHGD	
CCC[C@@H](C)C(=O)NNc1ccc(Br)cc1CC	753170797	WDSCWPPVHJHYJV-SNVBAGLBSA-N	313.239	3.891	50	20	DHGD	
C[C@H]1c2cc(F)cc(F)c2CCN1C[C@@H](C)CBr	770657424	PGQZGGOZISHILK-UWVGGRQHSA-N	318.205	3.915	50	20	DHGD	
N#C/C(C(=O)c1cc(F)cc(F)c1)=C1/COc2ccc(F)cc21	773171743	OSUDMQQHMPHACM-CCEZHUSRSA-N	315.250	3.656	50	20	DHGD	
N#CSCCCNC(=O)c1ccccc1Nc1ccccc1	773587485	WDLOYOMSHFHYML-UHFFFAOYSA-N	311.410	3.764	50	20	DHGD	
O=C(NNc1ccccn1)c1sccc1-c1ccc(F)cc1	777473376	FJZXQWOHARFDMV-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCc2ccccc21	781063211	HEBIDLORMQYUEG-ZDUSSCGKSA-N	310.235	3.775	50	20	DHGD	
C=CCN(CC1CCCCC1)C(=O)/C(C#N)=C/c1ccc(O)cc1	787347415	FWUXDCVGSHVXCR-QGOAFFKASA-N	324.424	3.894	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H](Cc2ccccc2)C1	790881059	TWRLURIAWLNEGM-OAHLLOKOSA-N	324.515	3.662	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	800520926	QVNONPNFAJPPJU-JTQLQIEISA-N	313.323	3.846	50	20	DHGD	
CCOC1CC(N(C)C(=O)CCCC[C@H]2CCSS2)C1	807820567	XZMWMAQJZOGCLK-RUXDESIVSA-N	317.520	3.726	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)c1cccnc1	813029388	BCWUHEBQIXKUPL-AWEZNQCLSA-N	312.417	3.901	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1cc(Br)c[nH]1	814780321	OCDFXECCAKWTDF-UHFFFAOYSA-N	312.211	3.629	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@@H]1c1ccccc1	826786588	ASLQEHOACCDLKV-ZIAGYGMSSA-N	315.804	3.762	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2c(C)cccc2Cl)s1	836933569	GOQFAOBVSZDMJC-UHFFFAOYSA-N	309.822	3.733	50	20	DHGD	
C#Cc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)c1	837103774	LSRNMTUVURFASY-MRXNPFEDSA-N	319.495	3.998	50	20	DHGD	
CC(C)(C)C#CC(=O)NNc1c(Cl)cc(F)cc1Cl	837509411	WZEYTHFCERHXGJ-UHFFFAOYSA-N	303.164	3.625	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	841635752	PETVLJHQVBAVSS-ZDUSSCGKSA-N	321.808	3.683	50	20	DHGD	
CN(C)C(=O)c1ccccc1/C=C(\C#N)c1nc(C2CC2)cs1	843272340	KBMKVEHOQKTZOD-NTEUORMPSA-N	323.421	3.786	50	20	DHGD	
C[C@@H]1SCC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	844115863	PFWCAWLFYYVCPF-QJPTWQEYSA-N	305.534	3.711	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2cc(Cl)ccn2)c1	847677377	DBRAREMTFWOWFZ-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC([C@H]2CCCCO2)CC1	852594129	LWJKPHIXCBMOFB-VPDFPHFYSA-N	314.404	3.971	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccccc1OCC(C)C	855367373	SMQREOATLSDZTH-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
Cc1csc(C(=O)NN=C(CC(C)C)c2ccccn2)c1	863155705	VXJXBEBRSGVQIE-UHFFFAOYSA-N	301.415	3.632	50	20	DHGD	
CCC(=NNC(=O)Nc1ccccc1C)c1ccc(OC)cc1	915971456	WHIBRTNAXWPRAW-UHFFFAOYSA-N	311.385	3.939	50	20	DHGD	
O=C(NN=Cc1ccc[nH]1)c1ccc(-c2ccc(F)cc2)s1	917029863	PHAQCWQXQGLPOG-UHFFFAOYSA-N	313.357	3.646	50	20	DHGD	
CC(C)[C@H]1C[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	935302477	KQIGLIZCVULKLN-WMLDXEAASA-N	318.461	3.878	50	20	DHGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@H](c2ccccc2)O1	1123511419	CFVFSNXZBGVCEN-YJNKEBTESA-N	321.848	3.773	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)c3ccc(C)c(O)c3)C2)cc1	1333197575	DIPJVZFYTSPPQA-UHFFFAOYSA-N	308.381	3.672	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)NNc1cccc(C(=O)O)c1C	1605265259	JBKFPZYAZGAMLU-GFCCVEGCSA-N	321.421	3.678	50	20	DHGD	
COC[C@@H](C)O[C@H](CBr)c1ccc(Cl)cc1	69735669	ZPPSXIUCFIYFLL-BXKDBHETSA-N	307.615	3.828	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ncccc1C(F)(F)F	92768308	YHXIOTOKFYMHBM-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NNc2cccc(C)c2)cc1	109427589	GYXDLAWOIAVEDX-UHFFFAOYSA-N	311.429	3.988	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc2c(c1)CCCC2	118510266	JYZVJGCZZCWZQH-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)o1	153736593	XFKPNFHQLGLXQD-UHFFFAOYSA-N	316.304	3.777	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	157215062	YZGFTKGNDGMNEI-XCVCLJGOSA-N	301.239	3.703	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	161063504	MGIPZKWAHBXYQA-QWRGUYRKSA-N	318.314	3.946	50	20	DHGD	
COc1ccc2cccc(CC(=O)NNc3cccc(F)c3)c2c1	161091730	PWYMLEGCNJFJRR-UHFFFAOYSA-N	324.355	3.673	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)c2c(F)cccc2F)c1	163787512	KASVBPSSZLNQJK-LBPRGKRZSA-N	304.340	3.828	50	20	DHGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1cccc(F)c1	178928305	PZSRODPZTRCTET-UHFFFAOYSA-N	323.371	3.677	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3sccc3C)n2c1	254916587	QZNUUOXESVMZAK-QPEQYQDCSA-N	307.378	3.803	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(Br)cc1Cl	384074570	RNPYIFSGRPYBGH-UITAMQMPSA-N	314.566	3.573	50	20	DHGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNc1ccc(F)cc1F	492315129	AAIBFURVWFOKBE-KXFIGUGUSA-N	313.307	3.603	50	20	DHGD	
COC(=O)N(C)N=C1CCCC[C@H]1c1ccc(OC)c(F)c1	496852969	CNVIZVJUOXVSAK-LBPRGKRZSA-N	308.353	3.546	50	20	DHGD	
COC(=O)NN=C(C)c1sc(-c2ccc(C)cc2)nc1C	727650662	PXFYFFLPGDJIRI-UHFFFAOYSA-N	303.387	3.507	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1ccc2c(c1)CCCC2	728784885	NDGOVBSDXUZCTO-UHFFFAOYSA-N	317.392	3.591	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c1	728785089	SYMUZSQJCBUCER-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
Cc1ccccc1C(=NNC(=O)CCc1ccccc1O)C1CC1	731927725	PYXZEEMTDHFULR-UHFFFAOYSA-N	322.408	3.564	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NN(C)c1ccccc1	732269045	BAVFGUZZWIJVCT-INIZCTEOSA-N	300.427	3.725	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1cc(F)c(F)cc1F	734553645	RROBKPNMJZIDTR-VIFPVBQESA-N	300.324	3.763	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	734980927	KPYBLUSRXHVIHO-RVDMUPIBSA-N	300.377	3.832	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)COCc1ccccc1	737437017	NXSBCNSDMHXAQE-UHFFFAOYSA-N	304.434	3.768	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cc(C#N)cs2)c(Cl)c1	748076117	PVFMZWRXDCAVOQ-UHFFFAOYSA-N	318.789	3.737	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1sc(C)nc1C	749818369	VPRCTBJSXRLMOW-UHFFFAOYSA-N	313.382	3.660	50	20	DHGD	
Cc1ccc(CC(=O)NN(Cc2ccccc2)c2ccccc2)o1	753899944	ANNHBRZPRVSECN-UHFFFAOYSA-N	320.392	3.869	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](CC)C2)c1C	755485578	JGRZOTOKEPQHCP-YCPFAOKUSA-N	313.445	3.680	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2cc(C)cc(C)c2)ccc1F	757142342	QLXXIGHYAHWOFT-UHFFFAOYSA-N	314.360	3.792	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)CCc2cccc(F)c2)c1	760141280	KTGCBUOBZILANK-ZDUSSCGKSA-N	318.367	3.985	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc3c(c2)ncn3C)c1C	761201462	UVTDWYCNYMRSCD-SXGWCWSVSA-N	315.376	3.980	50	20	DHGD	
CC(C)C(=O)NN=C(CC(F)(F)F)c1ccc(Cl)cc1	763347043	VQWACGXDGVWPTG-UHFFFAOYSA-N	306.715	3.769	50	20	DHGD	
COc1ccccc1C(=O)NN=C[C@H](C)c1cccc(Cl)c1	763364632	SPDRGXFQNLYWCI-LBPRGKRZSA-N	316.788	3.868	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	794474400	MFJSFMGLEYVDDM-IBGZPJMESA-N	323.440	3.908	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)cn1	794885856	WLMRKIVMRPNENR-IUXPMGMMSA-N	316.364	3.802	50	20	DHGD	
Cc1cc(C)nc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	801231428	XPHPEDVBMIRIRU-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Cl)c3ncccc23)cc1	801602702	VRYATFSQTXLGIA-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1ccccc1OC(F)(F)F	803127052	UFGWURKKRUIZDR-SNVBAGLBSA-N	304.312	3.855	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)CC1CCCC1	805385792	VXTQTLPPWXCEML-GFCCVEGCSA-N	305.378	3.563	50	20	DHGD	
COc1nc(C)ccc1C(=O)NNc1c(C)cccc1C(C)C	812768959	OJZWKUIOZHPEJK-UHFFFAOYSA-N	313.401	3.587	50	20	DHGD	
CC[C@@H](C=NNC(=O)CNc1ccc(C)cc1)c1ccccc1	814712161	LLDVTAZGNWSJHU-INIZCTEOSA-N	309.413	3.703	50	20	DHGD	
C/C(C=NNC(=O)CC1CC1)=C\c1ccccc1OC(F)F	814989370	LVWXFOCMJRHSBV-FYBWIROUSA-N	308.328	3.593	50	20	DHGD	
CC(F)(F)c1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817011005	BGKVOMDSABKXHH-UHFFFAOYSA-N	311.719	3.604	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@@H]2CCc3ccccc32)cc1	817895917	JBISNQQSDWIZGU-HNNXBMFYSA-N	310.397	3.649	50	20	DHGD	
CCOCCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345636	VFTSGPVBVQYCDT-UHFFFAOYSA-N	301.547	3.757	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@@H](O)c2ccccc2)C1	852523030	TXFJCIQVPAWNFC-IAGOWNOFSA-N	321.537	3.816	50	20	DHGD	
Cc1ccc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)nc1	852525047	SDJVSVNJOCAENC-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NCCCSC#N	854360032	ZQHFFJHUANEWSL-KBPBESRZSA-N	302.443	3.697	50	20	DHGD	
Cc1cccc2[nH]c(CNC[C@@]3(C)C[C@@H]3Br)cc12	856809839	QVFOLFYHEUTXCI-LSDHHAIUSA-N	307.235	3.739	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccc(Cl)cc2)C[C@@H]1Br	856811139	KJPPQDHRBADHLC-CMPLNLGQSA-N	317.614	3.635	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cn[nH]c1	863153953	JGPYOMMBMZDNEB-GFCCVEGCSA-N	316.792	3.507	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCC(C)(C)c1ccc2ccccc2c1	863502586	ZYZXNFDKVXZCJU-GHRIWEEISA-N	322.408	3.678	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccc(F)c(F)c1	885112851	GDDSWHXECMYKGN-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1scnc1C(C)C	885127129	NQRYPSDGLVTLSS-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2ccc[nH]2)C1	897966274	OMNPTNAPFYMBQT-ZDUSSCGKSA-N	308.498	3.641	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1scnc1C	915111187	BGWDRJCKPYDDTI-UHFFFAOYSA-N	315.442	3.903	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccccc1C(F)(F)F	916362430	ZTDQZQHQXSIUHB-UHFFFAOYSA-N	306.287	3.778	50	20	DHGD	
CC(C)CN(C(=O)c1cccc(CCl)c1)C1CCN(C)CC1	1120604049	DLTCIMFMZOZAKB-UHFFFAOYSA-N	322.880	3.618	50	20	DHGD	
COc1ccccc1C1(C(=O)NNc2cc(C)cc(C)c2)CCC1	1253427549	GESKJYFJBKNIFH-UHFFFAOYSA-N	324.424	3.877	50	20	DHGD	
CN(C)c1ncccc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	1322875488	KNXUHFQMJDHDSV-GDNBJRDFSA-N	317.348	3.684	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNC(=O)c1ccccc1Cl	1340986800	GRVYJSVOROWZAR-GFCCVEGCSA-N	322.836	3.708	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2c(C)nc3ccccc3c2C)c1	78240112	ZSTMQPULOLWOTL-UHFFFAOYSA-N	319.408	3.846	50	20	DHGD	
O=C(Cc1ccccc1C(F)(F)F)NNc1ccc(F)cc1	104234659	SYQRWSHPSLEYCO-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C)cc1OC	111682173	ZBYRDLJFLKMQAY-GDNBJRDFSA-N	322.364	3.558	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2ccccc2)cc1C	120007873	DWLLJLJEGSMNBT-UHFFFAOYSA-N	300.427	3.929	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1ccncc1Cl	132811120	XTCQLQIUPQYUEW-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=S)Nc1cccc(C)c1C)C(C)C	133575581	XKPJPHWNIUYASU-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1cccc(F)c1	154119981	IDJAKFOFCSPYRA-AWEZNQCLSA-N	322.767	3.780	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1coc2ccccc12	172087849	SWIDXIYKYJIRAN-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cc(F)c(F)c(F)c1	184405297	NOXGOQUFEUDNNE-UHFFFAOYSA-N	313.254	3.700	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC2(CCCCC2)C1	188474026	GKQPQXPAMAWEDP-GHRIWEEISA-N	324.424	3.872	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(F)c(F)c(F)c1F	192885051	NASZZXYRDAQJSJ-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1cnc(COC(=O)CCCC[C@H]2CCSS2)cn1	195413529	KTTPDWUWODTEGD-ZDUSSCGKSA-N	312.460	3.542	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2sccc2C)c1F	195502800	UYDALKNAVNSEHF-XYOKQWHBSA-N	301.342	3.994	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)[C@H](Br)C(C)(C)C)cc1	196537598	GZDVCZUBQLIICW-YPMHNXCESA-N	312.251	3.982	50	20	DHGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)c1ccco1	212655495	AXDMCWSHZVOQGX-VURMDHGXSA-N	308.156	3.893	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Cl)nc2)s1	268818708	IKCAQXWNHGDYJK-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
CSSCCNC(=O)N(Cc1cccs1)C(C)C	287932273	TWYLEDJDERBSIN-UHFFFAOYSA-N	304.506	3.679	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1	289676962	VEDKCMXKKLAFGP-OLEITNIESA-N	312.388	3.724	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2F)c1	490782549	JZSPJAHECWPJLQ-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)c(F)c1	588515581	SPDAUVOBTNJTOQ-XFFZJAGNSA-N	316.719	3.730	50	20	DHGD	
N#Cc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1	727778607	BJYCKASPJAPOBB-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@@H]2C)c1C	729661592	JVKSGAUSMVJGET-KJBJRLJWSA-N	313.445	3.727	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CCC[C@@H]1c1ccccc1	732527779	JHUOQIHZSDYUIE-QGZVFWFLSA-N	307.397	3.538	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c(C)c1	743766413	KNBHIAAKCPFUNJ-GHTZIAJQSA-N	320.436	3.959	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1cccs1	748740273	DEOQTMFZLNXUBW-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CCC[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752541957	CDIUQKGEHPFSSZ-KFXIKWRMSA-N	300.377	3.771	50	20	DHGD	
CN(NC(=O)NCC1(Cc2ccccc2)CCC1)c1ccccc1	757763196	PXVGLNZINWRACA-UHFFFAOYSA-N	323.440	3.750	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ccccc1Cl)CC2	762136252	CQXXLFVJGDXZMY-ZDUSSCGKSA-N	316.788	3.522	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1C#N	766288751	FOCGRFJQHMEJCP-GZTJUZNOSA-N	307.397	3.565	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1C(C)(C)C	767958737	QIUICAAPOJYQOE-WDEREUQCSA-N	304.272	3.833	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768515528	SAWWYPPWHIXDIJ-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
C[C@H](CBr)CN[C@@H](C)c1ccccc1OC(F)F	770665072	BGTDJHHWFSVLLR-ZJUUUORDSA-N	322.193	3.970	50	20	DHGD	
Cc1cc(N(C)C)ccc1NC(=O)NNc1c(C)cccc1F	771116507	QQKVVHTZGQOOAM-UHFFFAOYSA-N	316.380	3.657	50	20	DHGD	
Cc1cccc(NC(=O)NNc2nc3ccccc3s2)c1F	776024880	ZAYZLPJYWVZDMM-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
N#CC1=CCN(Cc2c(-c3ccccc3)nc3ccccn23)CC1	779585819	IXCBKAJJZVQYRV-UHFFFAOYSA-N	314.392	3.657	50	20	DHGD	
Cc1ccc(CCCOC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	785362805	JTHGOJKVGHCULH-QGOAFFKASA-N	321.376	3.784	50	20	DHGD	
Cc1cccc(-c2nnc([C@H](C)OC(=O)/C(C#N)=C\C3CC3)o2)c1	786667615	ABCLJNIFGIXYFV-ZENNRRHLSA-N	323.352	3.509	50	20	DHGD	
CC(C)n1cc(C(=O)NN(c2ccccc2)c2ccccc2)cn1	786728206	CWRLSGZOVPUZOZ-UHFFFAOYSA-N	320.396	3.947	50	20	DHGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	787316812	ADJXQWGZZHGXFX-YKOQKNPDSA-N	312.413	3.630	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3sccc3C)cn2c1	789125917	AIFFIKDEYJYTIW-NTUHNPAUSA-N	307.378	3.803	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	790846867	OGJOVOHQWSJVQK-NWDGAFQWSA-N	316.879	3.506	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)NNc2ncccc2C)c1	791223207	YIKFSFYYQVLJSX-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	793806027	VJAVRSYGGKKIHO-BXUZGUMPSA-N	305.809	3.871	50	20	DHGD	
CC(C)(CC(=O)NNC(=O)CC1CCCC1)C1CCCCC1	795064782	NPONFDDMCLHOFT-UHFFFAOYSA-N	308.466	3.711	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1coc(C(C)C)n1)c1ccccc1	799480300	JEJPSKQWYJETIU-OAHLLOKOSA-N	313.401	3.832	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1C#N	799496969	BPWFIDGQXOCLJS-LZYBPNLTSA-N	319.320	3.848	50	20	DHGD	
CCOCCC1(C(=O)NNc2c(C)cccc2CC)CCCC1	799757167	XDYQQXCJKWTWGO-UHFFFAOYSA-N	318.461	3.988	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/C(C)=C\c1ccccc1OC(F)F	811688783	RUQVGTRXUILGHH-SPEXVAAVSA-N	320.339	3.667	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)CSc2ccccc2O)CC1	814971247	YMEKBHLAYIMLCX-UHFFFAOYSA-N	320.458	3.803	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2c(s1)CCCCC2	817004218	WAYJVSLCSMWUTA-UHFFFAOYSA-N	321.833	3.822	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1cccc(Cl)n1	817006532	NLJKJEXOICARCP-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
CC(C)(C)n1nnnc1SCCO[Si](C)(C)C(C)(C)C	821073939	HAZXPEGPWMFGTG-UHFFFAOYSA-N	316.547	3.542	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	833560165	BYKIDGYNIRCRJK-JTQLQIEISA-N	324.808	3.698	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnn(-c2ccc(OC)cc2)c1	834421301	PBYUCFJCCBUPGA-YBEGLDIGSA-N	323.396	3.793	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2c(C)noc2C)c(Cl)c1	838471024	HAKMEPSFHHOWHV-VIFPVBQESA-N	322.796	3.641	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CCCCC1(F)F	838634986	BJKVQGGKMNWXAX-LLVKDONJSA-N	315.339	3.586	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@H]1Br	856808591	AUIKXYFKNJVPHH-LNFKQOIKSA-N	314.189	3.871	50	20	DHGD	
C[C@@]1(CNCc2ccnc(Cl)c2Cl)C[C@@H]1Br	856808717	DJGOHYNESNKAJC-KWQFWETISA-N	324.049	3.652	50	20	DHGD	
C[C@H](Cc1ccccc1F)NC[C@@]1(C)C[C@H]1Br	857063713	POODMRPCMBVFPM-LERXQTSPSA-N	300.215	3.520	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CC12CCSCC2	885127286	PPSVRSYENMPACB-GFCCVEGCSA-N	310.850	3.625	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@@H]1CC2(CCOCC2)Oc2ccccc21	896033551	LCWFEWMPTJENCX-CRNXPOROSA-N	321.848	3.522	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)c2ccccc2O)C1	912581083	XZVFQVGHOYKMCY-ZDUSSCGKSA-N	321.493	3.629	50	20	DHGD	
CCC(=NNC(=O)CSc1nc2ccccc2s1)C(C)C	916304255	HEHMZPPFLATUQD-UHFFFAOYSA-N	321.471	3.927	50	20	DHGD	
CCn1c2ccccc2c2cc(C=NNC(=O)C(C)C)ccc21	916328863	QUBWGHSEBMZCPZ-UHFFFAOYSA-N	307.397	3.921	50	20	DHGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNc2ccc(F)cc2)c1	917004271	MUZAJRHDWDXXGL-ZDUSSCGKSA-N	316.376	3.860	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2C)CCO1	928336821	DNYBBQUCQSQBPV-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2ccccc2C)c1	1323857619	NONWDDANPRJAMR-WJDWOHSUSA-N	305.333	3.572	50	20	DHGD	
CCc1cnccc1[C@H](C)NC(=O)c1cccc(CCl)c1	1346958907	FUSCCBGEQUHCBI-LBPRGKRZSA-N	302.805	3.874	50	20	DHGD	
O=C(Nc1ccc(C(=O)O)c(F)c1)c1cccc(CCl)c1	1608504936	JCTLEIHEHMKUJN-UHFFFAOYSA-N	307.708	3.515	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(-c2cccs2)c1)C(=O)NC1CC1	54896825	VAKFXTWKVRBOAV-WQLSENKSSA-N	312.369	3.740	50	20	DHGD	
Cc1ncsc1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	78692535	JCUORROPVAOQDQ-WTKPLQERSA-N	321.764	3.790	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	154750065	VZUCEWHNQACDQR-VHSXEESVSA-N	304.287	3.638	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCCc2sccc21	160716477	ACHWQRQFWBEPFI-ZDUSSCGKSA-N	304.390	3.759	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1nc(-c2ccc(C)cc2)cs1	178965519	IGYVTCKIYLQBRV-UKTHLTGXSA-N	313.382	3.501	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1	181150973	ZTEQHXIGRLTVSL-UHFFFAOYSA-N	309.394	3.714	50	20	DHGD	
Cc1ccc([C@H](C)N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	194150006	IFJWDUZWJBJPND-BRYHAGSVSA-N	320.392	3.827	50	20	DHGD	
CN(Cc1ccccc1F)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	255902153	CTLBJTKNUXWWDB-YVLHZVERSA-N	311.316	3.730	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	282233037	SBAQUOJGWCHHKL-SECBINFHSA-N	317.216	3.581	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2cccc3c2CCCC3)cs1	293497093	WVPVPMBPROTRMP-UHFFFAOYSA-N	314.410	3.586	50	20	DHGD	
CC(C)c1cccc(NC(=S)NNC(=O)OC(C)(C)C)c1	490655649	NYUIQBWWDAZQRQ-UHFFFAOYSA-N	309.435	3.536	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1ccccc1Cl	490702093	YJBMCYRVARJTKM-YRNVUSSQSA-N	318.163	3.934	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1c2ccccc2CC[C@H]1C(C)C	588470235	NDIHBLYYIFADCB-QNPCKFRZSA-N	312.413	3.506	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1F	727654123	HRJCEMHNSCJUDO-NTEUORMPSA-N	312.319	3.821	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	727689452	QBQHSTWIKPEKIJ-BDXSIMOUSA-N	310.441	3.938	50	20	DHGD	
COc1ccccc1[C@H](NC=C(C#N)C#N)c1ccccc1Cl	741649489	UHGAXESIGDDWGA-GOSISDBHSA-N	323.783	3.959	50	20	DHGD	
O=C(NN=C/C=C/c1ccco1)Nc1ccc(OC(F)F)cc1	741770428	FEBMZGKWMCLXNZ-ZRXXVDSISA-N	321.283	3.702	50	20	DHGD	
C[C@H](C=NNC(=O)c1cc(Cl)ccc1O)c1ccccc1	744772708	AWRYIQFOACZRSW-LLVKDONJSA-N	302.761	3.565	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]1c1ccccc1	747619130	HVOIBRJDGOMDPI-LTXFRBGYSA-N	305.337	3.906	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1OCC(C)C	748562538	SOUQQLRKQFFLII-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CCSc1ccccc1C(C)=NNC(=O)c1ccc(O)cc1	759646307	HYNLESATAAWUFC-UHFFFAOYSA-N	314.410	3.658	50	20	DHGD	
O=C(NN=c1cc[nH]c2ccccc12)c1cccc2ccsc12	768713068	STIDRAYLALXDQX-UHFFFAOYSA-N	319.389	3.628	50	20	DHGD	
Cc1ccc2c(CC(=O)OC[C@H](C)CBr)c[nH]c2c1	770360529	ORZFVSAHPVBENC-LLVKDONJSA-N	324.218	3.593	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1nccc2sccc12	771579685	YPFOBGPLRSLLKS-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc(Cl)nc1	774373796	PTAXZACEHLVPIL-UHFFFAOYSA-N	307.703	3.573	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCOCC2(CCCC2)C1	775848175	CXBJKVBOJQJSTD-IDUWFGFVSA-N	300.377	3.583	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccc(C#N)cc1	785361268	HQMOEDSKPAIVAN-XWAFYUISSA-N	302.333	3.770	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)cn1	790604859	ZOYXWMWVKPTHIU-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(C)O[C@H](C=NNC(=O)CCc1ccccc1)c1ccccc1	792997530	ZIKNFKOGQLZJBW-LJQANCHMSA-N	324.424	3.888	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc2occc2c1	794882683	SIAODUZZQVUKBB-UHFFFAOYSA-N	312.756	3.779	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2cc(C)ccc2o1	795470433	VURUSZOISUWISM-UHFFFAOYSA-N	309.159	3.849	50	20	DHGD	
CCC(C)(C)C1CCC(CC(=O)NNC(=O)C2CCC2)CC1	801155097	DDENFLLOIWGTSH-UHFFFAOYSA-N	308.466	3.567	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=CCCC1CC1	807951789	APVHQAZJJKHOCC-CQSZACIVSA-N	310.397	3.899	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1ccc(OC)cc1OC	814840567	RRYKMYVDSQUCOM-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
CC1(C)CCCC(=NNC(=O)CSc2ccccc2O)C1	814970312	JZGGHCASJOKQJM-UHFFFAOYSA-N	306.431	3.557	50	20	DHGD	
CC1(C)CCC(C=NNC(=O)CSc2ccccc2O)CC1	814970730	AEBGEUGJZFKUHE-UHFFFAOYSA-N	320.458	3.803	50	20	DHGD	
CCOc1ccc(NNC(=O)CCCc2ccc(C)s2)cc1	817921462	XSWWNDLMROLLAL-UHFFFAOYSA-N	318.442	3.921	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc(Br)c1	819408772	DFVCSFNVZSQYFJ-MFKMUULPSA-N	311.223	3.719	50	20	DHGD	
O=C(CC1CCCC1)NN=C1CCC(OC2CCCC2)CC1	834952889	OZEFQNVRGMNLFR-UHFFFAOYSA-N	306.450	3.941	50	20	DHGD	
CC[C@@H]1CC[C@H](C(=O)NNc2ccccc2Cc2ccccc2)O1	846464276	LNBCHNIHMLWWAC-IEBWSBKVSA-N	324.424	3.678	50	20	DHGD	
O=C(CC[C@H]1CCOC1)NNc1ccccc1Cc1ccccc1	846464833	TXTQGHTVVUSVRG-KRWDZBQOSA-N	324.424	3.537	50	20	DHGD	
CCCCCN(C(=O)NC[C@@]1(C)C[C@@H]1Br)C(C)C	856953155	GDYRZTLIGIFJJV-GXTWGEPZSA-N	319.287	3.770	50	20	DHGD	
CC(C)c1ccccc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857686588	AXEATAPFUPEZNI-DZGCQCFKSA-N	310.235	3.713	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1	861927915	UISZXNPRZNCVNN-CEXWTWQISA-N	306.409	3.839	50	20	DHGD	
O=C(NN=CCCc1ccccc1)c1ccc2ccccc2n1	916243151	XBYIFYHYJOWMBY-UHFFFAOYSA-N	303.365	3.583	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C/C=C\c1ccco1	920364722	IPKJRYXGHGWSPJ-ISMQKLQZSA-N	320.801	3.841	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(F)c(-c2cccs2)c1	920751341	VRYXQNFNRHLGNI-UHFFFAOYSA-N	319.405	3.987	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)c(C)c2)C1	928339483	FJWOLZXYZQXBRT-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)C[C@H](C)O3)cc1	9029073	QOZUCPZUNGYTRB-MPMPPSQCSA-N	318.376	3.864	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1c(C)nn(-c2ccccc2)c1C	23218562	VCDYTQRTLHEIBB-FOWTUZBSSA-N	323.396	3.739	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cnn(C(C)(C)C)c2)cc1	44022684	BEVSXWJNXPYPCB-YBEGLDIGSA-N	322.412	3.746	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(Cl)cc(Cl)c1OC	49371936	BEKBPGYZBUCWIS-YHYXMXQVSA-N	312.152	3.638	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc2c(c1)CCCC2	72728095	NWRJKOXRYGOAJS-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ccnc2ccccc12	106925053	NLSLXYQTQQSCPB-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
COCCC1(C(=O)NNc2ccc(Cl)c(F)c2)CCCC1	133695441	WCYHVCCWGXFCMK-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CCOc1cc(Cl)ccc1CNC(=O)NNc1ccccc1	152176551	WDKAKNWCDQVETA-UHFFFAOYSA-N	319.792	3.565	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	154277686	DPQOWFNZPJZCPH-QGOAFFKASA-N	301.345	3.797	50	20	DHGD	
CC(C)Oc1ccccc1NC(=O)NNc1c(F)cccc1F	155766042	LQILAZAOKYUXNA-UHFFFAOYSA-N	321.327	3.901	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2nc(C(C)C)ncc2Cl)c1	159182434	BALOCIOBJCZJJX-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	160132054	SIHISXNNAAFYFM-GHXNOFRVSA-N	319.286	3.590	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nccs2)ccc1Cl	490813522	PZOQEPZHGFXBHT-XFFZJAGNSA-N	303.774	3.651	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CC[C@H](c2cccc(Cl)c2)C1	491079766	BKXGRONQVBGRBP-FRSMIGLYSA-N	318.804	3.536	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1scnc1C1CC1	491108282	XQYQNKQWAXBGOJ-UKTHLTGXSA-N	303.431	3.624	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1C1CCCCC1	588515375	LWAGKIFTZYPYCR-LYDJUCFBSA-N	324.424	3.870	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)[C@@H](C)CC)cc1OCC	726430799	YUMFKLKBOPYISC-LUYJPIOASA-N	311.381	3.619	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCc2ccccc2F)cc1	731141892	SQKVBYQCRXTLJE-ATVHPVEESA-N	309.340	3.827	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cccc(C)c2C)cc1	731151774	VOJKAOHXTKOMRK-UHFFFAOYSA-N	312.438	3.854	50	20	DHGD	
CCCCC(COC)=NNC(=O)c1c(Cl)cccc1Cl	737431393	GQXXCHNWLHZHGU-UHFFFAOYSA-N	317.216	3.916	50	20	DHGD	
Cc1cccc2c1CCC2=NNC(=O)Nc1ccc(N(C)C)cc1	741765359	XNFSLHYYTHETFJ-UHFFFAOYSA-N	322.412	3.533	50	20	DHGD	
CC(C)CC(=O)NN=C[C@@H](C)c1cccc(Br)c1	747630419	PIKCZIBNOSYAQT-LLVKDONJSA-N	311.223	3.701	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	748244476	OZPMTWMFODAVLD-ZDUSSCGKSA-N	317.433	3.560	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)C(C)(C)C	748703376	RKGLRSQJCKZKBE-SNVBAGLBSA-N	318.339	3.753	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc2c(c1)COC2	749824196	ZFNBIUAXNCQRBS-UHFFFAOYSA-N	320.348	3.617	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](C)C2)c1C	750776618	NMGBYIMNVXSDPV-BGARDKSCSA-N	313.445	3.680	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(C#N)c(Cl)c1)c1ccsc1	753315339	IJGKIJXLTLKVJE-VIFPVBQESA-N	305.790	3.520	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC2CCC2)c1C	755503921	MTLSIVFCYIKAHD-PDGQHHTCSA-N	313.445	3.728	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cc(F)cc(F)c1	755872639	QXNRKJWPSFPUIV-UHFFFAOYSA-N	313.307	3.600	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)NC1CCCCC1)C1CCC(C)CC1	763727278	BJJSIQKGKVKVQA-XUJLQICISA-N	323.481	3.502	50	20	DHGD	
COc1ccsc1C=NNC(=O)c1cccc2ccccc12	764690445	QQEKLJZSHCTSAB-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccoc1Cl	765446476	ZCSWRKYRRQUMDO-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(-c3ccccc3Cl)o2)CC1	767155908	AIOMMIMEFBGVRB-UHFFFAOYSA-N	312.756	3.896	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2c(F)cccc2Cl)c1	770203205	GUENZUKHYOSIHY-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@@H](c2ccccc2F)C1	770655077	WEUAUSWKHGZBLA-NWDGAFQWSA-N	300.215	3.646	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ccccc1OC(F)(F)F	779209105	LYAHKJIIAISRKM-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	786040967	SAVRGXOIUHQCPK-NTMALXAHSA-N	309.774	3.775	50	20	DHGD	
CSSCCNC(=O)NCc1cc2ccccc2s1	790688032	BMYBOFDLTJRXAK-UHFFFAOYSA-N	312.485	3.712	50	20	DHGD	
CC(Cl)(Cl)C(=O)NNc1cc(Cl)cc(Cl)c1	791730205	UYQVVRBURFHGLU-UHFFFAOYSA-N	301.988	3.630	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(OC(C)C)cc1C	794101595	AYRHOIVFSJKJSH-UHFFFAOYSA-N	314.476	3.915	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(C)ccc1C	794786092	QHWVRKZACXCEJK-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1sc(-c2ccc(F)cc2)nc1C	814700579	XVHVEEMXJJGCES-UHFFFAOYSA-N	317.389	3.508	50	20	DHGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNc1ccnc2cc(Cl)ccc12	824012263	TUCTXWODXKQTLA-MJVIPROJSA-N	315.804	3.768	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)/C(F)=C/C1CCCCC1	825835466	KJMXRNCLPRFFLZ-UVTDQMKNSA-N	314.364	3.507	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccsc2C(F)F)C[C@@H]1Br	826859545	RXVKGDSPFMAZAF-CPCISQLKSA-N	324.190	3.589	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)C1CCCC1	840547310	KPRAVDURFYDVSV-SNVBAGLBSA-N	310.829	3.523	50	20	DHGD	
C[C@@H](O)CCCN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844337895	VXMAYUHFXCOKGK-HUUCEWRRSA-N	301.547	3.634	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(OC2CC2)c1F	849177873	COINVTXMDCDMJL-SDNWHVSQSA-N	316.376	3.580	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1ncc([N+](=O)[O-])s1	853695382	YSMMZCPUNQSHAI-UHFFFAOYSA-N	317.487	3.509	50	20	DHGD	
CC(=O)[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	854734148	NOAPTXVJXRQLAX-KBPBESRZSA-N	315.504	3.671	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(C#N)c(F)c1	857083724	ZFAVLQWDSSESDU-QCZZGDTMSA-N	311.198	3.521	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(C)C[C@H]2CC[C@H]1C2	862000429	MIVVTXWIGFDPSM-XMZIXOGTSA-N	322.840	3.523	50	20	DHGD	
COc1ccc(CCC(C)=NNC(=O)c2cc(C)cs2)cc1	863156409	ZPDLBRMVEXXTJI-UHFFFAOYSA-N	316.426	3.804	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)c1	864365985	HXZOWFJPEOHILU-CCAPLTMGSA-N	313.397	3.767	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cncn1C(C)C	901418480	GONQBPZALPNZKE-OVCLIPMQSA-N	308.385	3.627	50	20	DHGD	
CC[C@H](Cl)c1nc(O)c2ccc(Br)cc2n1	905023157	IVTXMNSSBWONAG-QMMMGPOBSA-N	301.571	3.788	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NCC(C)C)o2)cc1	915987125	UFJQLOGWEAVELM-MHWRWJLKSA-N	308.381	3.934	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(N2CCCCC2)cc1	916267046	WJQUCHIRPJUMAC-UHFFFAOYSA-N	317.433	3.926	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2scnc2C(C)C)c(C)c1	1117756338	JUDKGKHFAWTAEE-UHFFFAOYSA-N	303.431	3.949	50	20	DHGD	
CCCN(C(=O)CCl)[C@@H]1C[C@@H](OCC)C12CCCCC2	1323268209	ABUZDROQLOZVEB-ZIAGYGMSSA-N	301.858	3.592	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2F)c(C)n1C1CC1	1332244642	OSJIKDZIUCDPPR-UHFFFAOYSA-N	321.783	3.989	50	20	DHGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)o1	2088595981	CBZFFLLEHQALDW-DSQDWWTGSA-N	324.380	3.851	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(-c2nccs2)cc1	119642858	JTYXNTCUDQFANL-UHFFFAOYSA-N	310.382	3.959	50	20	DHGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1cccc(Cl)c1	128675795	OSCRDWCGFVHYBS-VIFPVBQESA-N	307.781	3.582	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1F)c1ccc(Cl)cc1	153087648	KQPWIKWJNAIHAG-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cn1	155280207	MHHJAAPEUGMBCJ-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
Cc1ccc(C#N)cc1NC(=O)NNc1ccc2ccccc2n1	158791906	QTWMKYABZQJHSX-UHFFFAOYSA-N	317.352	3.564	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(CCC(F)(F)F)cc1	176940378	LIVSOYCIMQKKFM-ZRDIBKRKSA-N	312.291	3.564	50	20	DHGD	
Cc1coc(-c2cc(NC(=O)NNc3ccccn3)ccc2C)n1	180605540	BJKQDLVZVSIRAM-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc(OC)c1	212391535	KSKHNAIUEXREQN-CHHVJCJISA-N	323.348	3.502	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1cccc(C2CCC2)c1	282355672	NZXRDPNDXYNPMX-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
C=CCN(Cc1cccs1)C(=O)/C(C#N)=C\c1ccc(O)cc1	491163751	YAZGGJNYZDGYTG-PTNGSMBKSA-N	324.405	3.575	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCO2)C(=O)c1ccc(Cl)s1	588425007	WDNPWZYXGVAXMQ-POHAHGRESA-N	317.753	3.920	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1	730287709	PVKKHHRMOSDUSH-UHFFFAOYSA-N	319.408	3.711	50	20	DHGD	
CSc1ccc(C=NNC(=O)C(C)(C)c2ccccc2)cc1	731150849	ODJXYJFFYLYVKU-UHFFFAOYSA-N	312.438	3.836	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(Cl)cc1)c1cccnc1	741451658	UAABDNMATYZBNT-HNNXBMFYSA-N	313.788	3.789	50	20	DHGD	
CC(=NNC(=O)COc1ccc(F)cc1)[C@H](C)c1ccccc1	746370154	GPJCOXHIJLTSFN-ZDUSSCGKSA-N	314.360	3.500	50	20	DHGD	
COc1cc(C(C)=NNC(=O)OC(C)(C)C)ccc1SC	747601604	CJSFEZVJXDEAQZ-UHFFFAOYSA-N	310.419	3.666	50	20	DHGD	
CC(C)CCO[C@@H](C)C(=O)NNc1ccc(Cl)cc1Cl	748018834	OZFXYKSBRHUJFX-JTQLQIEISA-N	319.232	3.888	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2cccc3c2CCCC3)c1	748587839	BNZQLVQKZMORFZ-UHFFFAOYSA-N	324.424	3.786	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(OCC(F)(F)F)cc1)C1CC1	748704691	NISGJZFUYVCWQS-SNVBAGLBSA-N	316.323	3.507	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)c1cc2ccccc2o1	749818235	TVDCJALWMAWWJX-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
CC(=NNC(=O)C1CC1)[C@H](C)Oc1ccc(Cl)cc1Cl	749853836	XIEQCZXKYBLSCQ-VIFPVBQESA-N	315.200	3.663	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccccc1SC	751173394	DVHUDQYOIOSZCL-UHFFFAOYSA-N	319.338	3.545	50	20	DHGD	
Cc1cc(C=NNC(=O)CCCc2ccccc2)cnc1Cl	760247494	AXOBLDRRWZFMCD-UHFFFAOYSA-N	315.804	3.516	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768505342	ZDWDDMLJMFQUEG-UHFFFAOYSA-N	308.385	3.662	50	20	DHGD	
O=C(NN=C1CC[C@H]1c1ccccc1)c1cccc2ncccc12	769778637	FHSBMBJQHOBNKE-HNNXBMFYSA-N	315.376	3.898	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cscc1Cl	771842341	RHWVGRYLTNEGFM-POHAHGRESA-N	318.785	3.956	50	20	DHGD	
N#C/C(=C/c1nc2c(s1)CCCC2)C(=O)Nc1ccccc1	776266465	RGNQGPCKVHTXSF-BENRWUELSA-N	309.394	3.568	50	20	DHGD	
O=c1[nH]c(C(Cl)Cl)nc2c(-c3ccccc3)nsc12	780154811	CSPOJUNXNGVGIX-UHFFFAOYSA-N	312.181	3.523	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCCc2ccccc21	787317106	NNWLNZPYGDSHIN-GHRIWEEISA-N	318.376	3.669	50	20	DHGD	
C[C@@H](CC1CCCCC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787586884	OPCYDUANPBEHPU-VMOJBDSFSA-N	312.413	3.774	50	20	DHGD	
Cc1csc(C(=O)NNc2ccc(F)cc2F)c1Cl	790803951	FOQOWDYBQBJYIU-UHFFFAOYSA-N	302.733	3.745	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1cc2ccccc2o1	791041574	RJWGTTWYTMYSCG-GFCCVEGCSA-N	310.357	3.524	50	20	DHGD	
CCc1csc(CC(=O)NNc2c(C)cccc2C(C)C)n1	794954831	XYJFTTDDWMLKTO-UHFFFAOYSA-N	317.458	3.823	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(C(F)(F)F)c1	797338166	PVONMNAWLGUILU-LCYFTJDESA-N	310.319	3.919	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1ccc(Cl)cc1	798112571	HSPWSKPRLLJRSN-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1C#N	799495358	NHFYWDDXYIMUNG-ZSOIEALJSA-N	300.321	3.507	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	800491907	WYYSRWAYZHDBJO-SNVBAGLBSA-N	322.796	3.659	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(C3CCCC3)cc2)cc1	810680991	HAUALGVXPNQZFQ-UHFFFAOYSA-N	305.381	3.973	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1cccc2c1CCCC2	814485315	GGRQVCRUTSXPOT-UHFFFAOYSA-N	316.792	3.762	50	20	DHGD	
O=C(COc1ccccc1-c1ccccc1)NN=C1CC2(CC2)C1	814719031	VQJQXDZCMGTTSA-UHFFFAOYSA-N	320.392	3.779	50	20	DHGD	
CSCCCC=NNC(=O)c1cc2c(s1)CCCCC2	814767875	YTFMTHYYUYPRDS-UHFFFAOYSA-N	310.488	3.876	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cccnc2Cl)c(Cl)c1	814856161	DUVBIIQAWBUXKM-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
CC(C)(C)c1ccc(SCC(=O)NCC(Cl)Cl)cc1	816605551	DGPUBDGQISZVQD-UHFFFAOYSA-N	320.285	3.996	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2c(C)cccc2C(C)C)o1	816781853	ABPXRBMSRCMLKW-UHFFFAOYSA-N	301.390	3.734	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2c[nH]c3c(C)cccc23)cc1	817915297	HQPITASFVPQKGA-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cccc(OCCCC#N)c1	834447626	PBMKJTRANPBIAQ-UVTDQMKNSA-N	300.333	3.593	50	20	DHGD	
CC[C@H](C)CC=NNC(=O)c1ccc(F)cc1Br	834941651	JBKKTSUOGJYFPF-VIFPVBQESA-N	315.186	3.740	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)C1CCC1	837486907	AZXRGLVXZMEWMJ-JTQLQIEISA-N	316.323	3.507	50	20	DHGD	
CCc1noc([C@@H](C)N(C)CCO[Si](C)(C)C(C)(C)C)n1	844346411	NGTJMUKTEUSLCV-GFCCVEGCSA-N	313.518	3.647	50	20	DHGD	
Cc1ccc(C2(C(=O)N(C)CC(Cl)Cl)CCC2)cc1	848085052	MAKJCQCXGRWWBC-UHFFFAOYSA-N	300.229	3.679	50	20	DHGD	
CC(=NNC(=O)c1cccc(F)n1)C12CC3CC(CC(C3)C1)C2	853442988	XOXHCIDHFRUANW-UHFFFAOYSA-N	315.392	3.543	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1F	856231353	YEHZZBYPCGNFMO-QWRGUYRKSA-N	318.314	3.946	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857265465	NYOZNHLGWAFHJI-CQSZACIVSA-N	316.323	3.759	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NC[C@]1(C)C[C@H]1Br	857397935	NOPZFCSZIDEVJQ-XPKDYRNWSA-N	324.262	3.778	50	20	DHGD	
C[C@@H](CN(C)C[C@@H](CBr)C1CC1)c1nccs1	859246207	OWFLUMBAQYZEJB-CMPLNLGQSA-N	317.296	3.600	50	20	DHGD	
Cc1cnc([C@@H](C)NC[C@H](CBr)C2CC2)s1	859249667	ITWMXWNKXHQBIE-KOLCDFICSA-N	303.269	3.523	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2F)c(C2CC2)n1	871270127	LAZGMHXLBRHRFA-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cc1nccnc1CN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	878777873	CYPHIERKQJWEQD-OAHLLOKOSA-N	321.541	3.771	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(F)cc2Cl)CCO1	885137428	XJVMPZOTPZJBRK-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1	915843773	ZTGQRRBNWFTGFE-DWAAQONKSA-N	324.424	3.853	50	20	DHGD	
CCN(CC)CCC(=O)NN=C(C)CC(C)(C)c1ccccc1	915952689	VQDJKWKZXGYSHC-UHFFFAOYSA-N	317.477	3.578	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	915986832	FZTPQMJIPBGBPW-VBKFSLOCSA-N	300.402	3.687	50	20	DHGD	
Cc1cc(C=NNC(=O)OC(C)(C)C)c(C)n1Cc1ccco1	916266876	KVGNGNVTLDIHOZ-UHFFFAOYSA-N	317.389	3.605	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)COc1ccc(C#N)cc1	916581447	FITGWEQMHOMPQY-UHFFFAOYSA-N	315.417	3.790	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(Cl)cc2C)CCO1	928337164	LYERMYYROAODDE-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc4c(c3)CCC4)nc12	1116132208	XQIWNJAMZWDOHM-MHWRWJLKSA-N	300.365	3.819	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(C(C)(C)C)nn1	1318837978	UOLWXOCSVCMUAB-ZDUSSCGKSA-N	306.454	3.824	50	20	DHGD	
O=C(NCCc1cc2ccccc2[nH]1)C1CCC(Cl)CC1	1528046993	VYVZDDJXDQHFRZ-UHFFFAOYSA-N	304.821	3.624	50	20	DHGD	
COc1ccccc1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	7157817	XSYJIOGADGFWHR-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
Cc1ccccc1NS(=O)(=O)c1ccc(CCCCl)cc1	20191076	PITINIDJDSQKRF-UHFFFAOYSA-N	323.845	3.967	50	20	DHGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	75408296	GZXHYCCPBFDTMX-UHFFFAOYSA-N	311.385	3.552	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccncc1Cl)c1cccc(F)c1	154487089	OWZWNOUGTSCOSN-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cccc(-c3ccccn3)c2C)c1	179013386	LVIUWVUMLXRUHT-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNc2ccccn2)c1C	181165837	CDXFQDINEXFHMX-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccccc1Cl	255472657	GYFFCXRGBXWPPB-ZROIWOOFSA-N	314.747	3.702	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1OC	296092528	ZGYMUMRJAFEMQG-UKTHLTGXSA-N	305.349	3.708	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)CNc1cccc(OC)c1	727254245	RYNDRUXHSSNNQM-CQSZACIVSA-N	317.433	3.570	50	20	DHGD	
CCOc1ccccc1C=NNC(=O)[C@@H](CC)c1ccccc1	731931311	FCCWCFBJKGUDTF-KRWDZBQOSA-N	310.397	3.729	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC(C)(C)CC2)o1	735971580	MKOYJRDBSGARCL-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(Cl)cc1Cl)C1CC1	741159949	HLTDDNBVTCFQLW-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)c2cccc(F)c2)c(C)c1	743761764	AFLKQBHKNNYCDH-AWEZNQCLSA-N	300.377	3.998	50	20	DHGD	
N#Cc1cccc(NC(=O)NNc2cccc3c2CCCC3)c1	747825217	XTCPYRMKZAWDNB-UHFFFAOYSA-N	306.369	3.586	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc2sccc2c1	748004281	DDRXLYKKVSLAQF-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(C#N)c2)oc2ccc(F)cc12	748046339	MFXYTFMOKPVJQX-UHFFFAOYSA-N	309.300	3.509	50	20	DHGD	
O=C(Cc1coc2cc(F)ccc12)NNc1cccc(Cl)c1	748291863	WKEPZAPINTXZLM-UHFFFAOYSA-N	318.735	3.911	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cc2cc(C)c(C)cc2o1	749158015	MIVFAYUUEKMDPC-UHFFFAOYSA-N	321.380	3.786	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)c2cc3ccccc3o2)c1	749824038	VDVXNUIKUXKUTC-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
Cc1cccc2c1CCN(/C(=C/C#N)c1cccc([N+](=O)[O-])c1)C2	750042959	OMIZQAACUMBYQG-UFWORHAWSA-N	319.364	3.826	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H]1CCCC[C@@H]1C	751165196	OLQVQZWXHYIRNO-RYUDHWBXSA-N	307.346	3.725	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@H]2CCCCC2(C)C)o1	751780656	BRXQZZCKSPHADC-GFCCVEGCSA-N	318.421	3.719	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@@H](CCc2ccccc2)C1	755267972	APRJZPGXCJXEID-GAASDFDMSA-N	318.420	3.885	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1ccsc1	760209125	FKAWOSNOTWZVDN-DHDCSXOGSA-N	305.362	3.724	50	20	DHGD	
N#C/C(=C/c1cncc(Br)c1)C(=O)c1ccccc1	767341237	VUYHQPJWLZRTNW-MLPAPPSSSA-N	313.154	3.634	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cc(C(F)F)ccc1Cl	767689454	GBPVXVYQHTYBSP-VQHVLOKHSA-N	300.692	3.660	50	20	DHGD	
CCC(=NNC(=O)CC(F)(F)F)c1c(F)cccc1Cl	767775382	FNNZSQBERGNXBH-UHFFFAOYSA-N	310.678	3.662	50	20	DHGD	
C[C@@H](CBr)CN[C@H](C)c1ccccc1OC(F)F	770665042	BGTDJHHWFSVLLR-VHSXEESVSA-N	322.193	3.970	50	20	DHGD	
O=C(NN=CCSCc1ccccc1)c1c[nH]c2ccccc12	774308384	CHBMVLDTUHBVIT-UHFFFAOYSA-N	323.421	3.817	50	20	DHGD	
CCCCCCCC(=O)NNc1ccc(C(F)(F)F)cn1	775257120	ABZNVQVHYNUHFS-UHFFFAOYSA-N	303.328	3.904	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	779217592	QCOIZLYGMRBTCH-SNVBAGLBSA-N	316.323	3.855	50	20	DHGD	
Cc1ccc(COC(=O)/C(C#N)=C\C2CC2)cc1Br	786677461	HWISQVAKEQCOQU-MLPAPPSSSA-N	320.186	3.661	50	20	DHGD	
C[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc21	787048464	GETDVYWBXYKHJW-AOHITCTBSA-N	318.376	3.840	50	20	DHGD	
COc1cc(NNC(=O)c2cc(C)c(C)s2)ccc1Cl	790180820	OERPLSPTPDZOGQ-UHFFFAOYSA-N	310.806	3.784	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc(Cl)c(Cl)c1	790596626	KOXCYKQLIZWGIY-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCCCOc1cccc(NC(=O)NNc2ncccc2C)c1	792261962	XQGXACKODHQGLD-UHFFFAOYSA-N	314.389	3.718	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)OC1CCCCC1	798344776	MJECXFXFGCVXPS-NTEUORMPSA-N	301.390	3.555	50	20	DHGD	
CON=CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	809765932	SMQTXKXWJNVDGW-UHFFFAOYSA-N	304.240	3.915	50	20	DHGD	
CSCCCC=NNC(=O)c1ccc(Cl)cc1Cl	814762407	ZHIJVRRBMMBONL-UHFFFAOYSA-N	305.230	3.852	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)cc1F)c1cccc(N)c1	814862912	XFFUNVYTCXQNSY-UHFFFAOYSA-N	319.767	3.605	50	20	DHGD	
CCC(COC)=NNC(=O)Nc1ccc(Cl)cc1Cl	814996139	KZIBHTLHPSNBIA-UHFFFAOYSA-N	304.177	3.527	50	20	DHGD	
CC(C)O[C@H](C(=O)NNc1ccccc1Cl)c1ccccc1	815852960	PMHFLLXDXHPREX-INIZCTEOSA-N	318.804	3.949	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NNc1cccc(Cl)n1	817009923	DTLNBUQTLGQRTE-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
CC(=C/c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)C(C)(C)F	834447388	MKWUJPSOULOHKQ-JKNYEHFOSA-N	302.305	3.765	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)c2nc(C)cs2)c(Cl)c1	838227492	FCYOONSDMCBZKO-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
O=C(NC[C@H]1CCCC1(F)F)NNc1c(F)cccc1Cl	838672641	INVCEDGSORCFGS-MRVPVSSYSA-N	321.730	3.541	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H]1C[C@H]2C=C[C@H]1CC2	842528303	VVSGBSMBNCPFOY-OBJOEFQTSA-N	318.804	3.754	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	843857778	AZIBWASTZOLFLG-LLVKDONJSA-N	313.323	3.680	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCc2c(Cl)cccc21	848082728	UPUHSTQJRIAGJJ-JTQLQIEISA-N	306.620	3.632	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C(C)(C)c1ccccc1C	855367222	NDTNQNOHAMKUKM-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1cc(F)cc(Cl)c1	855618964	XPRWOKJTSFFTJO-AWEZNQCLSA-N	314.788	3.660	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1	885144760	KFVWCEIPJMQSFP-IUCAKERBSA-N	322.277	3.777	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cn(C)nc3C3CC3)[nH]c12	899344837	ZXFILDQTTWGJSG-JYRVWZFOSA-N	303.369	3.546	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)[C@@]2(C)C[C@@H]2Br)c(C)s1	906068472	ZCDYZCDIYKOLDI-QWRKXWFKSA-N	316.264	3.716	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@]2(C)C[C@H]2Br)CC12CCCC2	909439330	VQNOTUOEVGJIID-MBNYWOFBSA-N	314.267	3.587	50	20	DHGD	
O=C(NN=C[C@@H]1CC=CCC1)c1ccc(COc2ccccc2)o1	916359887	GERDVXPIPRTNFF-OAHLLOKOSA-N	324.380	3.931	50	20	DHGD	
Cn1cc(C=NNC(=O)c2ccc(Cl)cc2)c2ccccc21	916662375	FGPLIMIEMVBWDX-UHFFFAOYSA-N	311.772	3.596	50	20	DHGD	
Cc1cc(NNC(=O)c2cnc(C(C)C)nc2C)ccc1Cl	928338836	PQOIXYYEQSWDJO-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CC(C)(C)Oc1cccc(NC(=O)NNc2ncccc2F)c1	934054790	MTDVHRMFZBAODP-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)c1ccc(Cl)cc1	935822376	MFHZTPXHHQNZRQ-UHFFFAOYSA-N	310.825	3.852	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CSc3ccccc32)cc1Cl	1322986326	NHZDNMAAOUKGAG-ZDUSSCGKSA-N	318.829	3.981	50	20	DHGD	
CCC(=O)/C(C#N)=C/c1c(F)ccc2sc(C(=O)O)cc12	1776676012	UXAPGYRPPHNYBB-VMPITWQZSA-N	303.314	3.625	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CCO3)c(C)c1	54802024	SRSFUCDCTFWMGK-GZTJUZNOSA-N	318.376	3.784	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)c1C	76106447	NDFQILXQHVKMDF-YVLHZVERSA-N	307.397	3.927	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)cc1	120477697	FNQCCFHPLWFREY-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Br)s1	153524558	VKFUPELZKSXLGD-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2)c1C	158990889	WGWQTZZBNYDYCQ-WJDWOHSUSA-N	323.396	3.766	50	20	DHGD	
CC1(C(=O)NNC(=O)Cc2ccc3ccccc3c2)CCCCC1	162503085	VHRNHMIXNVWLMW-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
Cc1nn(C)c2ncc(/C=C(/C#N)c3nc(C(C)C)cs3)cc12	176940223	NJOMXBRUSPRCQD-ACAGNQJTSA-N	323.425	3.921	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)CCN2C	178887104	OCMURHDDHREHQM-SFQUDFHCSA-N	317.392	3.533	50	20	DHGD	
CN(CCO)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	181781788	CIFKTVGVAJIXSG-UHFFFAOYSA-N	320.283	3.800	50	20	DHGD	
O=C(NCCCO)Nc1cccc(S(F)(F)(F)(F)F)c1	184420895	CNZWEMCQKKNUGH-UHFFFAOYSA-N	320.283	3.848	50	20	DHGD	
CCc1nc([C@@H](C)NC(=O)NNc2c(C)cccc2F)cs1	185379600	CVMHRORSADRDFQ-SNVBAGLBSA-N	322.409	3.540	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)c1cnc2ccccc2n1	191358978	YPFNYEFXFXXYLK-JLHYYAGUSA-N	317.348	3.711	50	20	DHGD	
CCOc1c(OC)cc(/C=C(\C#N)C(=O)C(C)(C)C)cc1OC	195171427	GXVRUGMPVLWRPT-MDWZMJQESA-N	317.385	3.625	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@H]1CO	616679802	XUWLVSXNYUCFAK-QGZVFWFLSA-N	321.537	3.600	50	20	DHGD	
CC[C@@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCCC1	726268577	MADZLUWFDFGYEI-OAHLLOKOSA-N	320.393	3.580	50	20	DHGD	
COc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c(Cl)c1	730958756	XVYNBNIDQVZAIO-UHFFFAOYSA-N	321.716	3.784	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc2ncccc2c1)c1ccccc1	731152906	WALZQMXRAYFBQF-UHFFFAOYSA-N	317.392	3.663	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1	733950460	FGUPTIVBWRTILS-AWEZNQCLSA-N	324.424	3.817	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3nccc4sccc34)CC2)c1	734247082	TXVYIHHDMVLBFZ-UHFFFAOYSA-N	323.421	3.780	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2CSc3ccccc32)ccc1[N+](=O)[O-]	735630479	HFAFHJDDRQXRNJ-CYBMUJFWSA-N	315.350	3.698	50	20	DHGD	
C[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)c1ccco1	743296069	GGWIYYARNOQIKJ-JTQLQIEISA-N	315.760	3.728	50	20	DHGD	
Cc1cc(O[C@@H](C)C(=O)NNc2ccccc2F)ccc1Cl	748056701	NLTQNGDGWDZEAT-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)c1cc(Br)c[nH]1	749158449	ONJMYLQOAFQFKS-UHFFFAOYSA-N	312.211	3.629	50	20	DHGD	
CCCOc1cc(C=NNC(=O)CC2CCCC2)ccc1OC	749449201	CTJBCFOTPFIASG-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
Cc1ccccc1[C@@H]1CCCN1CCI	759340213	ZKCPZFDMFNKUGB-ZDUSSCGKSA-N	315.198	3.567	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2[nH]c(-c3ccccc3)nc2C)c1	760133813	KHJLBXACXRUPML-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
COc1ccsc1/C=C(/C#N)c1nc(-c2ccccc2)no1	764416036	CANGTAQFFDPITM-XFXZXTDPSA-N	309.350	3.871	50	20	DHGD	
Cc1cccc2c1CCN(C(=O)[C@@H](Br)C(C)(C)C)C2	767966893	XZQXEQHPGADWRI-CQSZACIVSA-N	324.262	3.689	50	20	DHGD	
Cc1cc(Cl)ncc1NC(=O)[C@@H](Br)C(C)(C)C	768276016	OCKZYZJWUOIKSE-SNVBAGLBSA-N	319.630	3.792	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(OC)c(OC)c1	769566330	COLGOHUDKDYHPH-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1c(F)cccc1Cl	770196695	DLZYBBGLHUOPID-VIFPVBQESA-N	304.818	3.844	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(C)c(OC)c1	772171162	DXGLTZJWGWHAAM-WJDWOHSUSA-N	300.402	3.607	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1ccc(C(F)(F)F)cc1	773492906	PNDZKCBYHCZHOP-SECBINFHSA-N	306.353	3.680	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccn1)C1(c2ccccc2)CCCC1	773627937	IXQWTZVJEZYUPV-HNNXBMFYSA-N	324.428	3.608	50	20	DHGD	
Cc1cc(OC(=O)c2ccc(C#N)c(Cl)c2)ccc1[N+](=O)[O-]	777432645	GMHSPJBLWYTCBZ-UHFFFAOYSA-N	316.700	3.648	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1F	782341878	MGZOIFSPKGCPAW-JYRVWZFOSA-N	322.343	3.868	50	20	DHGD	
C[C@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1	785047400	YEPTUCWYLIKICI-SWEABUAFSA-N	308.356	3.653	50	20	DHGD	
CCc1ccc(C(=O)NN=C/C=C\c2ccc(F)c(F)c2)cc1	794879700	MCEKEQLSALBJBD-SFKKUABISA-N	314.335	3.956	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1nc(C(F)(F)F)cs1	795162836	AIGCPSUKRTWYOT-NSHDSACASA-N	309.357	3.821	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@@]12CCc1ccccc12	799758461	MQOXSRKQZBHWED-GHTZIAJQSA-N	320.436	3.905	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802014718	VVWNUNFWPFQTEK-SMDDNHRTSA-N	323.824	3.709	50	20	DHGD	
CCC/C(C)=C\C(=O)NNC(=O)Nc1ccc(C)cc1Cl	802048166	MEEVNKAQQLHLQR-KTKRTIGZSA-N	309.797	3.548	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)nn1	806572658	MCSSWESRSWFGRC-NTUHNPAUSA-N	322.393	3.864	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCCc3occc32)cc1	814754628	YAUQJDDIIVGPGH-UHFFFAOYSA-N	314.410	3.537	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@H]1CC2CCC1CC2	816172932	KGVSJLJLHQKKIU-NWGYLPEXSA-N	314.216	3.658	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(Cl)n1)c1ccc(Cl)cc1	817006593	PLRPIMPBQZPQBB-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
C[C@H](CC(=O)NCCCSC#N)Cc1ccc(Cl)cc1	819699143	UMEOYIGWXJIZAC-LBPRGKRZSA-N	310.850	3.629	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)CCCC(=O)C(C)(C)C	836936103	FZRCIXPYVJTGJQ-UHFFFAOYSA-N	310.825	3.877	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(C(C)C)cc2)CCO1	837052419	DITRZEXRTABYIS-WBVHZDCISA-N	304.434	3.848	50	20	DHGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1ccc(C(C)C)cc1	838491747	NHQSHIOGBXECDY-CYBMUJFWSA-N	307.438	3.640	50	20	DHGD	
Cc1occc1/C=C(/C#N)C(=O)Nc1nc(C(C)(C)C)cs1	840732941	JKRDCHIUKQIHBM-GHXNOFRVSA-N	315.398	3.888	50	20	DHGD	
Cc1ccc2c(CCC(=O)N(C)CC(Cl)Cl)c[nH]c2c1	848081592	DUSFKBGINMXKQS-UHFFFAOYSA-N	313.228	3.671	50	20	DHGD	
C[C@H](c1cnccn1)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852525232	WFXAWIXEAIPWMN-KGLIPLIRSA-N	307.514	3.634	50	20	DHGD	
CSCCCCCCNC(=O)NNc1cc(F)ccc1C	853977706	RSOAYPKDFWFIBP-UHFFFAOYSA-N	313.442	3.684	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2ccc(C)c(F)c2)cc1	856230817	DFUVZNLIQNLRNM-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CC(C)c1ncc(CNC[C@]2(C)C[C@@H]2Br)s1	856806866	ILTLTENECDYFMM-JQWIXIFHSA-N	303.269	3.530	50	20	DHGD	
C[C@@]1(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C[C@H]1Br	907214702	GPZOTJOAISCEES-UKRRQHHQSA-N	319.202	3.794	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccnc(C#N)c2)C1	912275698	PTMBSFIDSGWKBW-OAHLLOKOSA-N	303.482	3.554	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cncn1-c1ccccc1	1341570571	YREAWZOBENWJTD-GJZGRUSLSA-N	324.428	3.804	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCCc3cccnc32)cc1Cl	1343823609	SLHLNWDRIUEUSN-CQSZACIVSA-N	315.804	3.607	50	20	DHGD	
Cc1cccc(NNC(=O)C2(C(=O)O)CCCCCC2)c1Cl	1574396962	GMXQUTFASMXBIT-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)c1ccccc1F	8202213	XBEISTABYGZRDS-XNTDXEJSSA-N	317.323	3.801	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@H](C)CC1CCCC1)c1ccccc1	114274494	ZMRUJXVVTWOAFC-PBHICJAKSA-N	316.445	3.544	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cccs1	124452406	CFEOFDVUGWWGGL-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)NNc3cccc(F)c3)c2)cc1	154125960	WLZKBXQBSYSBCP-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2ccc(F)cc2C)cc1	160799453	PNLRJOMZDGSIQO-LBPRGKRZSA-N	316.376	3.780	50	20	DHGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)c1nc(C)cs1	169964961	VBKHUZDPQGQICH-XGICHPGQSA-N	316.382	3.542	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C)no1	175628682	GHWHJUQPELIAEU-UHFFFAOYSA-N	315.398	3.933	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ccccc3)s2)c1	176754113	QDYBZSLRACYWCY-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	179944965	SWYZNMWIUGIDDV-UHFFFAOYSA-N	303.337	3.763	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)c(F)c2)c1	209994699	TVWHXYWWZLIFBX-GHXNOFRVSA-N	314.291	3.519	50	20	DHGD	
C=C(CBr)CN1CCCC[C@@H]1[C@H](O)c1ccccc1	369139508	JQVUTMICHQVDTI-HZPDHXFCSA-N	324.262	3.526	50	20	DHGD	
CC[C@H](C)Oc1ccccc1/C=C/C(=O)N1CC=C(C#N)CC1	492580336	JMWLXHZNCAADDV-HVHJFMEUSA-N	310.397	3.559	50	20	DHGD	
O=C(CCCC1CCCCC1)NN=c1cc[nH]c2ccccc12	730287074	AXKRHWUDMIJLJG-UHFFFAOYSA-N	311.429	3.850	50	20	DHGD	
O=C(NN=Cc1cccc(F)c1F)c1ccc2ccccc2c1	730728153	LGSVNQVIZDOZTQ-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(C)c2C)cc1	731156405	DOXBHKJXIVGYKR-WOJGMQOQSA-N	311.406	3.950	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(Cc2ccccc2)ccc1O	732265746	CENOCCHNLYAFSX-UHFFFAOYSA-N	318.376	3.740	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccncc1)c1ccc(Cl)cc1	740759827	APZXUWNBPJOGGA-UHFFFAOYSA-N	315.804	3.915	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C	742545734	DZGBLJVWSJHYFP-CLFYSBASSA-N	311.769	3.684	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	748551175	AUOFCFSAMSABCQ-FXAWDEMLSA-N	324.399	3.871	50	20	DHGD	
Cc1cccc(CCNC(=O)NNc2c(C)cc(C)cc2C)c1	749186058	PGGBFAAJYGRABJ-UHFFFAOYSA-N	311.429	3.789	50	20	DHGD	
CCCC1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CCC1	752550470	HZHOYKHAGHGVSA-RVDMUPIBSA-N	300.377	3.819	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(C)cc1Br	753683487	QVZREQOCDFMKFO-LCYFTJDESA-N	321.218	3.581	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)cc1	753921705	LUKXEQXBVURCGS-UHFFFAOYSA-N	323.783	3.875	50	20	DHGD	
CCCCCC=NNC(=O)c1cc(F)ccc1Br	755700952	MQHSZJOZQAWFIZ-UHFFFAOYSA-N	315.186	3.884	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1nc(C(F)(F)F)cs1	755859817	MITAETRAYRHUFX-DTWKUNHWSA-N	321.368	3.821	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(C#N)s1)c1ccccc1	762449883	PDUJYYCEWCHSCJ-HNNXBMFYSA-N	311.410	3.654	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2cncc3ccccc23)cc1	765856689	XTJVIFRMVJZIPJ-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)C1CCCCC1	767715947	ZVASDXUDUNJOGM-ATVHPVEESA-N	305.381	3.929	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)oc2C)n1	767886511	HWVWOARQASJDQH-WUXMJOGZSA-N	302.355	3.594	50	20	DHGD	
C=CCN(Cc1ccc(OC)cc1)C[C@@H](C)CBr	770647938	NFNBTALSTVCJOK-ZDUSSCGKSA-N	312.251	3.714	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)Cc1ccc(Cl)cc1	775642941	PXFQINZUILIFOH-CQSZACIVSA-N	324.852	3.636	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(Cl)c(Br)c1	776185113	FHKGZDGZEOOHFM-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
COC[C@H](NC[C@@H](C)CBr)c1ccc(Cl)cc1	785963827	IOKBLAQKIKVZRL-GWCFXTLKSA-N	320.658	3.648	50	20	DHGD	
CSC1(CNC(=O)NNc2ccc(C(C)(C)C)cc2)CCC1	789286106	RJRWGFUFCKOCLD-UHFFFAOYSA-N	321.490	3.896	50	20	DHGD	
COc1cc(NNC(=O)/C=C/c2ccccc2)ccc1Cl	790186835	LGXPXYIIJQXWRV-JXMROGBWSA-N	302.761	3.505	50	20	DHGD	
CSSCCNC(=O)NCc1csc2ccccc12	790669117	IYTSGGUXSNBHGG-UHFFFAOYSA-N	312.485	3.712	50	20	DHGD	
CSSCCNC(=O)CCc1ccc(-c2ccccc2)[nH]1	791152774	OULNQPHPCHVJCC-UHFFFAOYSA-N	320.483	3.742	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc(C=O)c1	794949476	QHVHGPGTROPTRM-UHFFFAOYSA-N	302.399	3.749	50	20	DHGD	
COC(=O)N(C)N=Cc1ccc(Sc2ccccc2)cc1	794956445	UIHIIOQDUCQORP-UHFFFAOYSA-N	300.383	3.870	50	20	DHGD	
CC(Cc1cccc(C(F)(F)F)c1)=NNC(=O)c1ccc(C)o1	799110900	IXVLVCKEPKWZMA-UHFFFAOYSA-N	324.302	3.955	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cncc(F)c2)cc1	799234118	JQAPVWZOWZZCFD-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cccc(O)c1Cl	814833196	CGPWFIQUHVEZDC-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3cc(C)ccc3[nH]2)cc1	817899702	QJYSQQMJFZGOPN-UHFFFAOYSA-N	309.369	3.632	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1C[C@H]2CC[C@H]1O2	836790008	ZHKPTPHQLJRJBZ-IIAWOOMASA-N	302.418	3.519	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCN(C)c3ccccc32)cc1	837053005	NHBHXRFDZAHZOT-SFHVURJKSA-N	323.440	3.877	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(C(C)C)cc2)s1	837057023	AYIOEIAHILAIBT-UHFFFAOYSA-N	302.399	3.831	50	20	DHGD	
CC(C)(CC#N)CNC(=O)NNc1cc(Cl)cc(Cl)c1	838754156	VKGOHGFBCSGRCQ-UHFFFAOYSA-N	315.204	3.559	50	20	DHGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)c1nc(C2CC2)cs1	843263112	AJOOZSOQDMGHLQ-YHYXMXQVSA-N	304.806	3.780	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(CCCCCO)CC1	844345908	FSVPALCSWZIPSH-UHFFFAOYSA-N	315.574	3.883	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618592	LDUKWXITFKQSJL-YGRLFVJLSA-N	314.788	3.518	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(Cl)cn1	856093954	SEHDHBHAOPHILF-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
CSC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	857594695	MNSAJBKEFHZCOC-UHFFFAOYSA-N	305.355	3.795	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCCC(F)(F)C1	862507258	XFZSIAHBFLAYMM-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2cc(Cl)ccc2F)CCO1	871271436	OVYAIDVQEUEHQC-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2cc(Cl)ccc2C)CCO1	885126624	CJFOQPRUPQVZDL-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
CCOc1cccc2cc(C(C)=NNC(=O)[C@H](C)CC)oc12	915977410	UDWGXIWXUJMFAH-LLVKDONJSA-N	302.374	3.718	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)c(C)c1	916336393	DMYBEDGYMPWEGD-KRWDZBQOSA-N	324.424	3.838	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cccc(O)c1	917547369	RLVZLYBMCQAWPL-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2cncn2c1C	1117697442	MNYLERVIUOSGJE-UHFFFAOYSA-N	322.412	3.831	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C(=O)O)c2)c1	1776119865	NVRPICXIXDQXDE-DHDCSXOGSA-N	320.348	3.547	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)OCCCC)cc1OC	57405693	RZUTYUXJSOMQER-PTNGSMBKSA-N	315.369	3.510	50	20	DHGD	
O=C(NNc1ccccc1)C1(c2cccc(C(F)(F)F)c2)CC1	111553860	AFUXYIQMMDPMIZ-UHFFFAOYSA-N	320.314	3.880	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2ccc(C)cc2)c1C	123568624	SONZLTMNFZLKBS-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cccc(F)c1F)C1CCCCC1	171982310	XIJKRBWYEYAWLH-JLHYYAGUSA-N	304.340	3.663	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2ccccc2n1	175405809	LIOVXYWPJFUUKM-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC[C@H](NNC(=O)CC(C)C)c1ccc(Br)cc1	268489042	NDFXMJVQYCRREB-ZDUSSCGKSA-N	313.239	3.567	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(COCCOC)cc1	289822577	CFEZMLYRMNBRMO-PWDRBQJJSA-N	315.413	3.762	50	20	DHGD	
CCOCc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	490845075	RPVRPNYPYRGUKT-WJDWOHSUSA-N	324.355	3.908	50	20	DHGD	
COc1c(Br)cccc1/C=C(/C#N)c1ccccn1	588507061	LWUZRFLFHORPGA-XFXZXTDPSA-N	315.170	3.917	50	20	DHGD	
CC[C@H](CC(=O)NNC(=S)Nc1cccc(C)c1C)C(C)C	729517678	XZVDYNLEUGQWEX-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)CSc1ccc(C)cc1	729636520	KVCHFHMONTYKLK-UHFFFAOYSA-N	318.467	3.883	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2cccc(C)c2C)c2ccccc2n1	731149114	JIXOVYBYFLCXBZ-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1csc2ccccc12	731488914	VHAQFFLBFWBNNB-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccccc1OCc1ccccc1	731932460	LKHYUAFXZPMZCG-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)NC1CCCCC1	740764412	VBCDJJHJIAGFQV-NTCAYCPXSA-N	305.381	3.591	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](C)CC2)cc1	745152976	FQQVXHDZUKLHPS-SUCHYCSPSA-N	312.413	3.641	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1ccc(Cl)c(F)c1	746699084	WOKHBPGKFORENQ-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCSc2ccccc21	748571651	LJEUUCGJYIDFDO-AWEZNQCLSA-N	316.401	3.857	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(C3CC3)CCC2)cc1	752225304	MQGXKLJRCLASPV-FOWTUZBSSA-N	324.424	3.689	50	20	DHGD	
Cc1cc(Cl)c(NC(=O)NNC(=O)CC(C)C)cc1Cl	757754766	DESJOFBHWXXWTF-UHFFFAOYSA-N	318.204	3.501	50	20	DHGD	
C[C@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1(C)C	768451571	TYMIQTAAXQNUQK-QWRGUYRKSA-N	304.272	3.691	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1coc(C2CC2)n1	777278245	IHCOIEZURRWNMD-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
N#CC1=CCN(Cc2ccc(Cl)cc2Br)CC1	779590553	RFYMWOMWNLJMBE-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@@H](C)C[C@@H]1C	783861774	HUVWWGVLKOCCLG-OLZOCXBDSA-N	320.458	3.716	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	786042796	JRUYSTOENRSWIQ-FNORWQNLSA-N	324.616	3.946	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccc2c1OCC2(C)C	790000093	BLHZNJMXCZGETP-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2c(C)cc(C)cc2C)C1	793706511	MOLBSGIOIZOBDK-CVEARBPZSA-N	304.434	3.650	50	20	DHGD	
CCCN(N=Cc1cc(C)c(O)c(C)c1)C(=O)OC(C)(C)C	794996206	AWHJEXSHGDBXJS-UHFFFAOYSA-N	306.406	3.990	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)c(Cl)c1	797020062	KORXZEMKJGSOBJ-UKTHLTGXSA-N	318.804	3.704	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1cc(C)c(C)o1	799866153	VYYNTEGRHXZCNZ-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
Cc1nc(-c2ccccc2)oc1C(=O)N(C)CC(Cl)Cl	808247616	IJEGRTYOACQYNR-UHFFFAOYSA-N	313.184	3.526	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cscc1C(F)(F)F	811692154	XKCNJUHTIKVMKW-BJMVGYQFSA-N	323.361	3.846	50	20	DHGD	
CC[C@@H](C=NNC(=O)COc1ccccc1F)c1ccccc1	814722662	KAFUMERTBWDJCD-AWEZNQCLSA-N	314.360	3.500	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	814866782	FGRYARRGCIXOJN-CYBMUJFWSA-N	309.369	3.868	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)Nc2ccc(Cl)cc2)cc1	815005174	TWYXUQHSTWFVLO-UHFFFAOYSA-N	317.776	3.894	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCO[C@H](C(C)C)C1	821769341	FLZBSSOLMZVSJF-JSGCOSHPSA-N	310.825	3.543	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1c(C)cccc1Cl	836934438	YCDCCKYHQKAOQO-UHFFFAOYSA-N	310.825	3.855	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2cccnc2Cl)c1	848222680	UDJPUASXBGSVEF-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(F)c1	849245290	QEUBEADUJRGBKP-ZWSXMNCCSA-N	303.333	3.525	50	20	DHGD	
O=C(NN=C1C[C@@H]2CCCc3cccc1c32)OCC(F)(F)F	853429260	GUBSYVIEFYFVCO-JTQLQIEISA-N	312.291	3.503	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(C)c(F)c2)s1	856231324	XFIRDIMIRPYQSK-UHFFFAOYSA-N	307.394	3.608	50	20	DHGD	
CC/C=C(/C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857264893	QPVQAXSNDZEVNA-UITAMQMPSA-N	302.296	3.513	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081165	AFFIBIWEWZSZKH-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
CCCOc1ccc(NC(=O)NCC(Cl)Cl)c(C)c1	878390571	UDXZRKKRVPJAFK-UHFFFAOYSA-N	305.205	3.709	50	20	DHGD	
C[C@H](CCc1ccccc1)NC(=O)NNc1ccccc1Cl	915883272	GUHVKTMIVPYWLM-CYBMUJFWSA-N	317.820	3.987	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cn(C)c3ccccc23)cc1C	915955825	KMNCEMGXFYRBRN-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
CC[C@H](C)c1nc([C@@H](C)NC(=O)c2cccc(CCl)c2)n[nH]1	1120637035	XYTJJBQMPZCPLV-WDEREUQCSA-N	320.824	3.548	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ncc(Cl)s1	1321481719	ZYBYNWSSDVMYQT-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1cncc(Br)c1	1324515626	GRGYAMUTEWPHHR-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
Cc1cc(NC(=O)C2CCC(Cl)CC2)ccc1CN(C)C	1347685374	QIVNDLQTRLWPIW-UHFFFAOYSA-N	308.853	3.793	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C\c1nccs1	1351945234	AMPOAJYPZNKPOV-FPLPWBNLSA-N	301.415	3.731	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1ccccc1C(=O)O)c1ccccc1	1588776935	NUHCCCIAJKMEAK-HNNXBMFYSA-N	324.380	3.578	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1595667077	ZNQJPHHKYSXENZ-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)c1C	1777443658	AUKJGWAURUCRNR-RIYZIHGNSA-N	323.323	3.931	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccc(F)cc1	7745138	ROPFACIHOPWJPO-YRNVUSSQSA-N	302.255	3.650	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)CCC1CCCCC1	45884107	SNJXDTJNNGDGRK-UHFFFAOYSA-N	303.406	3.508	50	20	DHGD	
CN(Cc1nc2ccccc2n1C)/C(=C/C#N)c1ccccc1	83242908	UUMLXWOOAYRSCQ-SFQUDFHCSA-N	302.381	3.570	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	102958707	YBLROZQZIJILBW-XFFZJAGNSA-N	320.739	3.767	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CC2=CCCCC2)cc1C	106929083	UFYMMCNVGIYDDP-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc2c(F)cccc2[nH]1	120282802	FKXSKUDZZVENOM-UHFFFAOYSA-N	323.371	3.943	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)c1nc2ccccc2[nH]1	123336959	UHSNRXUIAIDSFX-PTNGSMBKSA-N	315.380	3.622	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1ncccc1Cl	131774970	LOXSOBWBEACDQG-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccc(C#N)cc1	155246977	BJANBYPBBYOGGZ-GOSISDBHSA-N	307.397	3.516	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2csc(C(C)(C)C)n2)c1	159029517	RXQQTCJOBJIION-UHFFFAOYSA-N	317.458	3.743	50	20	DHGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NNc1ccc(F)cc1	176310988	RQXIUFFITYAMGP-LLVKDONJSA-N	322.380	3.836	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccccc1SC(F)F	180677819	PXSOXEGKFFYKDB-UHFFFAOYSA-N	310.329	3.545	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1[N+](=O)[O-]	211473202	HUWTWGDTPMQZKP-GDNBJRDFSA-N	321.336	3.757	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)Nc1ccc(Cl)cc1	255644351	YXUAETRZVFNROE-YFHOEESVSA-N	313.769	3.819	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(Cl)c(Br)c1	383438443	FYZSDTIGDPLEGR-WEVVVXLNSA-N	314.566	3.573	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c(OC)c1	588597750	XPSKSYQPYFCCPS-ZSOIEALJSA-N	311.312	3.633	50	20	DHGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NNc1ccc(Cl)nc1	743818795	NFQBLFFRJQPNPU-UHFFFAOYSA-N	319.836	3.785	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)Cc1cn2ccccc2n1	747635947	ACZGRIJTGRVQOV-GGIXLDDUSA-N	324.428	3.672	50	20	DHGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc2n[nH]cc12	752721512	SNCCAJQCLZPOJE-NTUHNPAUSA-N	320.327	3.556	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(F)cc(F)c2)n1	755407095	RYBCRVYBKOVEAW-XCVCLJGOSA-N	320.320	3.662	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)c1ccccc1F	758418949	SRLAIGUPLNHGPK-PTNGSMBKSA-N	321.355	3.611	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccc(Br)nc1	761576057	RKVZHSRDDBYVAH-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(F)c(F)cc3F)nc12	767727532	ADHLKFMXJNAOPK-WMZJFQQLSA-N	314.270	3.748	50	20	DHGD	
CCNC(=O)N(C)N=Cc1ccc(-c2ccccc2F)s1	769594837	YWZSPRUHGAONDB-UHFFFAOYSA-N	305.378	3.549	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cccn1Cc1ccccc1	771691882	VBMFZUKRFQHXCO-UHFFFAOYSA-N	323.371	3.741	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)Oc1cccc(Cl)c1	771698092	YBKQWCXQLQGKBS-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)C(C)C	775273464	YXCLYDNXOZIHOZ-SNVBAGLBSA-N	304.221	3.904	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1cc2cccc(Cl)c2o1	778446835	GJCXPGSRDXOYIR-UHFFFAOYSA-N	322.151	3.892	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCc2cccs2)cc1	780812891	ILTUFPJWNOZNPR-UHFFFAOYSA-N	303.431	3.872	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ccc2ncccc2c1	785377869	BJHZJMZFBVDUIH-WOJGMQOQSA-N	314.344	3.885	50	20	DHGD	
CC(C)(C(=O)NNc1ccnc2cc(Cl)ccc12)C(F)F	792629509	QLKKEQIMZNGKSB-UHFFFAOYSA-N	313.735	3.623	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2cc(Cl)ccc2O)C1	794484600	VLZHAQZVSAIIGC-LLVKDONJSA-N	308.809	3.978	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1cccc(Br)c1	794924813	WFIIDYVNLLMGBX-UHFFFAOYSA-N	323.190	3.922	50	20	DHGD	
C=C(CBr)COC(=O)C(C)(C)c1cccc(F)c1	795515430	WBZGVWMGZXGKCD-UHFFFAOYSA-N	315.182	3.598	50	20	DHGD	
O=C(NNc1ccccc1)c1ncccc1Oc1ccccc1	799705045	PWJJJGNRBOPOAY-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1CCC[C@@H]1CCCF	800813266	TWXPXCRPTVUCFZ-CQSZACIVSA-N	315.392	3.663	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1cccc2c1CCCC2	802829220	WOEPJPHWPNTCEE-UHFFFAOYSA-N	320.392	3.997	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C	804705653	HXIMSUVCHQOSDP-SYCZXOQXSA-N	320.820	3.640	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ncccc2F)cc1Cl	806680819	XYJYGEHLFICOLT-UHFFFAOYSA-N	308.744	3.585	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1=CCCCC1	809997879	ICGBLPZEJMIOFI-UHFFFAOYSA-N	301.777	3.832	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CC[C@H]3C3CC3)cc2C1	814760049	YNRURDPDZDXYMY-GWCFXTLKSA-N	302.443	3.779	50	20	DHGD	
CCOCC(C)=NNC(=O)Nc1ccc(Cl)cc1Cl	814995834	OISYJQVFXPJPCD-UHFFFAOYSA-N	304.177	3.527	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCC[C@H]2CCCF)cc1	815000072	QSRNXFVADDUZRZ-LBPRGKRZSA-N	307.369	3.723	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1CC(c2ccc(F)cc2)C1	816164401	VPTRJHVDJSLIOL-UHFFFAOYSA-N	316.351	3.910	50	20	DHGD	
CC(C)[C@H]1N(C(=O)[C@H](Br)C(C)(C)C)CC1(C)C	817218695	IVCXVXCTVIDMBT-WDEREUQCSA-N	304.272	3.689	50	20	DHGD	
C=CCC1(C(=O)NNc2nc(C(F)(F)F)cs2)CCCC1	826800217	SYYCPAQTPSXGGQ-UHFFFAOYSA-N	319.352	3.742	50	20	DHGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1ccc(Cl)cc1Cl	828525649	WZBYFQRLUOVZKZ-OIBJUYFYSA-N	320.245	3.514	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1conc1Cc1ccccc1	834405324	SGWWMMDBACKOAU-PTNGSMBKSA-N	310.353	3.516	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccnc2C2CC2)c(Cl)c1	836937750	LDELNFDLWHSOCK-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1csc(-c2ccccc2)n1	841618560	WMFKPTZPCATONV-UHFFFAOYSA-N	313.426	3.841	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CC12CCC2	846379088	SDQJPCNBWBVBMO-SNVBAGLBSA-N	318.726	3.992	50	20	DHGD	
C[C@H](Cc1ccccn1)NCc1ccc(OCCCCl)cc1	848566665	DOBZFTJUEHJKPJ-OAHLLOKOSA-N	318.848	3.810	50	20	DHGD	
CCOC1CCC(=NNC(=O)[C@H](CC)c2ccccc2)CC1	853306734	WUKLRCRAUCQYRE-ZYMOGRSISA-N	302.418	3.632	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)c1cccc(C2CC2)c1	853428873	YDDISWRHRISMBK-UHFFFAOYSA-N	300.280	3.577	50	20	DHGD	
BrC[C@H](CN1CCC[C@]2(CCSC2)C1)C1CC1	859327247	LUDQSRMRTZTAFL-KGLIPLIRSA-N	318.324	3.627	50	20	DHGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)c1nc2ccccc2[nH]1	899336040	OWULKJFGMWDDMR-NVNXTCNLSA-N	303.369	3.624	50	20	DHGD	
CCCSCC(C)=NNC(=O)c1cc2ccccc2cc1O	901122855	GEVPGAFDWUWAOS-UHFFFAOYSA-N	316.426	3.794	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(F)ccc2F)cc1	915983906	YKHOZFOVTJKTQQ-OQLLNIDSSA-N	319.332	3.612	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C2/COc3ccc(F)cc32)c1	918714443	VSBQQMOERVXKTK-MSUUIHNZSA-N	307.324	3.995	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c(C)n1CC1CC1	1322838839	YJDMDILWDRLXID-UHFFFAOYSA-N	319.355	3.550	50	20	DHGD	
COc1ccccc1[C@@H]1C[C@H]1NC(=O)c1cccc(CCl)c1	1336569680	IBTWCZBIVZSHGA-JKSUJKDBSA-N	315.800	3.720	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1339669453	GPXWPPQMLTXGAF-MHWRWJLKSA-N	307.397	3.999	50	20	DHGD	
CC(C)Oc1cc(Cl)c(/C=C(/C#N)C(=O)O)cc1Cl	1591755604	PICWPQDFXHEECZ-OQFOIZHKSA-N	300.141	3.772	50	20	DHGD	
CCC(=O)NC1(c2ccc(NC(=O)[C@H](Cl)CC)cc2)CCC1	1790485448	AYYJZJFWHRAJMN-CQSZACIVSA-N	322.836	3.548	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1csc(C2CC2)n1	63275812	WZZWZIJYYRJTCR-MDWZMJQESA-N	309.394	3.875	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)NNc1ccc(F)cc1	92429162	ALQLGOJXRPNLTG-UHFFFAOYSA-N	303.337	3.681	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c(OC)c1	98031168	LXFHMKPJARMVRG-YBEGLDIGSA-N	307.349	3.802	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc(O)c(Cl)c2)nc2ccccc21	120843741	XSSACIOJNMPXCB-WQLSENKSSA-N	309.756	3.996	50	20	DHGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNc1cccc(C#N)c1	152590285	AYIVROIRFYQCTK-CQSZACIVSA-N	323.396	3.594	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1Cl)c1cccc(F)c1	158453606	PFQWZKLCJPRXSN-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)cn1	171981275	XFUYJSIOGDQTFM-NTUHNPAUSA-N	314.776	3.663	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2c(C)cccc2F)c1	184383238	IRFZKHFTWDCRNH-UHFFFAOYSA-N	302.349	3.680	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1c(-c2ccccc2)nc2sccn12	194128510	CZNIOKDXLSYDQD-RAXLEYEMSA-N	323.377	3.533	50	20	DHGD	
CCOC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	194580397	PVGXRNAKLRPHAC-CQSZACIVSA-N	317.520	3.728	50	20	DHGD	
CCOC(=O)NN=CC1=Cc2cc(Cl)cc(Cl)c2OC1	245265709	HFODYUDOYVAGEB-UHFFFAOYSA-N	315.156	3.501	50	20	DHGD	
COc1ccc([C@@H]2CCN(C[C@@H](C)CBr)C2)cc1	248675152	CNIVEPUTAWUVRW-GXTWGEPZSA-N	312.251	3.516	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(F)cc1	255442972	RDVQBSXDVFHCTI-TWGQIWQCSA-N	324.277	3.790	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	281714342	HZEQWXCFGBKCMO-ZFWWWQNUSA-N	316.445	3.642	50	20	DHGD	
CCCN(N=C1CC[C@@H](C(=O)O)C[C@H]1C)C(=O)OC(C)(C)C	495792323	FQTTZYPJIVCJRC-VXGBXAGGSA-N	312.410	3.510	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(OCC(F)(F)F)cc1	728428621	DLDRRHZILXOWJQ-UHFFFAOYSA-N	316.323	3.514	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CCC[C@@H]2C)cc1OC	729143734	MJQCOWMKSRTBBB-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)c2ccc[nH]2)c1	729635492	WRJURXVLLXNKCZ-UHFFFAOYSA-N	303.365	3.754	50	20	DHGD	
O=C(CCCc1cccs1)NNc1nccc2sccc12	734247665	AANSKAIUZOGXMI-UHFFFAOYSA-N	317.439	3.824	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1	734312434	DMJATSJOOFOMDN-QGZVFWFLSA-N	316.445	3.690	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)CNc2ccccc2)C2CC2)cc1	741838069	QPUMBAOIFBBJFD-UHFFFAOYSA-N	321.424	3.532	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ccc([N+](=O)[O-])cc1Cl	748726392	CPVMJUNSTUCZBV-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1	751444287	XMRLPYUMOFVUKQ-GHRIWEEISA-N	307.349	3.502	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2c(c1)CCO2	752809430	BPAIQZQERYIWAS-UHFFFAOYSA-N	323.179	3.685	50	20	DHGD	
CC(=O)c1cccc(COC(=O)/C(C#N)=C/c2ccc(C)cc2)c1	755109464	KBCAZYMLXKWQAD-VXLYETTFSA-N	319.360	3.848	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)Cc1ccc(F)cc1	764895403	DUKIAXXJTNSDEA-UHFFFAOYSA-N	304.390	3.555	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2cc(F)ccc2s1	791211549	KQKKZRIKYKUNAG-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1nc2ccccc2[nH]1	792407274	PKVZFEUFXCMFEE-UHFFFAOYSA-N	308.385	3.518	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNC(=O)CC(C)(C)C	792591744	CRQUYCLGOBQEGD-KBPBESRZSA-N	316.445	3.560	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CC[C@H](c2cccc(F)c2)C1	793474175	JSVGONQTAXWKGJ-YOEHRIQHSA-N	313.376	3.788	50	20	DHGD	
CC(C)(C)[C@H]1CCCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	794550668	HLWQPCYDSJBNHB-ZDUSSCGKSA-N	318.417	3.810	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ncc(F)cc1F	794954405	VDGGDPMEHRTDOZ-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1cccc(C(F)(F)F)n1	795115828	BVIYVQKMJPLXPE-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C(F)(F)F)cc1	795345554	QHTFUHQDQSQKPT-UHFFFAOYSA-N	323.108	3.813	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cccc(F)n1)c1cccc(Cl)c1	804769471	HHDRQQKTLNQFIS-HNNXBMFYSA-N	321.783	3.757	50	20	DHGD	
C[C@H](C=NNC(=O)CNc1ccccc1F)C1CCCCC1	814713637	SOBKYTGZYKCCFU-CYBMUJFWSA-N	305.397	3.556	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2ccc(C)s2)cc1	814998202	XYPROVUXPLHIHN-UHFFFAOYSA-N	303.387	3.611	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)Cc2ccc(F)cc2)cc1	817899299	IVVQJCGMVSOWAP-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(N(C)C)cc2F)cc1	837053303	QYIJCKWIWNNXMX-UHFFFAOYSA-N	315.392	3.772	50	20	DHGD	
Cc1cnc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)nc1	844337059	PGTNLDKFNUNXOK-HNNXBMFYSA-N	321.541	3.771	50	20	DHGD	
C[C@H](OCC1CC1)C(=O)NNc1ccccc1Cc1ccccc1	846463846	HSMTYXABVIKJIS-HNNXBMFYSA-N	324.424	3.536	50	20	DHGD	
C[C@H]1CN(C[C@H](CBr)C2CC2)C[C@@H](C)C1(F)F	859415479	VCPUKYXWAZCNFH-UMNHJUIQSA-N	310.226	3.631	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2cccc(F)c2Cl)CCO1	862506988	QKQRZQNLIQADMW-MNOVXSKESA-N	314.788	3.518	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(F)c(F)c1	885113385	YRILPFUPPKSEDC-MNOVXSKESA-N	308.353	3.582	50	20	DHGD	
CSCC(C)(C)NC(=O)CCCC[C@@H]1CCSS1	890878047	SXEPAWDRDNMRHR-LLVKDONJSA-N	307.550	3.958	50	20	DHGD	
O=C(NN=C/C(Br)=C\c1ccccc1)C1CCCC1	914836511	PLBAZGRLBGKZFC-LGGNJMSXSA-N	321.218	3.715	50	20	DHGD	
CCC(=NNC(=O)Cc1csc(C)n1)c1cccc(Cl)c1	916317410	NUVYIPBNCUDSEF-UHFFFAOYSA-N	321.833	3.578	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1cccc(Cl)c1	919978927	CVLYRNNHEKNPMN-UHFFFAOYSA-N	300.745	3.772	50	20	DHGD	
CCc1cc(C(=O)NNc2cc(C)ccc2C)cc(Cl)n1	935021619	IIYDLBSUVNPLMW-UHFFFAOYSA-N	303.793	3.671	50	20	DHGD	
O=C(NC1(Cc2ccc(F)cc2)CC1)C1CCC(Cl)CC1	1123897815	KGSIXCSFYLNWOJ-UHFFFAOYSA-N	309.812	3.815	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1F	1321650948	QUGGFPIVVQQBGW-JYRVWZFOSA-N	304.328	3.724	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCC1CCOCC1	1328388014	QYWLHOZNQRZIMV-CQSZACIVSA-N	317.520	3.633	50	20	DHGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNc1ncccc1F	1328888528	XVENRILAFVOMFE-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC(c3ccccc3C)C2)cc1	1329967648	RZRXQJTXTJGJQF-UHFFFAOYSA-N	308.381	3.667	50	20	DHGD	
CC(C)C1CCC(C=NNC(=O)c2cccc(C(=O)O)c2)CC1	1776095737	QPUQVGUYUOARST-UHFFFAOYSA-N	316.401	3.563	50	20	DHGD	
C=C(Cl)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	14897484	VVVDYFBTNWLJQL-FRKPEAEDSA-N	320.820	3.964	50	20	DHGD	
O=C(NCc1ccsc1)NNc1ccccc1C(F)(F)F	46026854	MAFDBBPXFBEERJ-UHFFFAOYSA-N	315.320	3.593	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2c(F)cccc2F)cc1	118509889	CEDNNUONPGOFMC-UHFFFAOYSA-N	322.380	3.975	50	20	DHGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2cccc(F)c2)c1	154087153	VMCVCHRBHJXOCW-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc3ccc(Cl)cc3n2)cc1	155450291	CCBCWYYHTKRKDA-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNc2ccc(C#N)cc2)c1	155485492	JZHQHNLNJDZRJA-AWEZNQCLSA-N	323.396	3.592	50	20	DHGD	
CC(C)(C)c1ncsc1C(=O)NNc1ccccc1Cl	158259513	MSRPPPYFMANCPC-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1c(F)cccc1F	173749359	PAIRIYZJZBCNME-NSHDSACASA-N	322.330	3.816	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C[C@@H]2CSCCS2)cc1	181154075	IGUJGLZTMWFKKZ-CQSZACIVSA-N	324.515	3.666	50	20	DHGD	
CCOCCC1(C(=O)NNc2c(C)cccc2F)CCCC1	184357280	STXARMDAWVDUJA-UHFFFAOYSA-N	308.397	3.564	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2O)c1C	194228973	SCZDKEJGIDXIJD-LFIBNONCSA-N	323.396	3.766	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cccc(Cl)c1	252507101	YGAQOOGNSLYIIW-UHFFFAOYSA-N	311.772	3.514	50	20	DHGD	
CSSCCNC(=O)Nc1ccccc1Br	284397857	AQQTZWIDTGCFGO-UHFFFAOYSA-N	321.265	3.582	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)C2CCC2)c(OCCC)c1	731933353	XJIOWZFRCZRSNA-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
Cc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)c(C)c1	732926903	AWQZHLONMCBYOP-UHFFFAOYSA-N	315.804	3.790	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)[C@@H](CC)c1ccccc1	735249352	XYEHAKDKGPNWDZ-WBVHZDCISA-N	318.461	3.934	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1nccc2ccccc12)C1CCCCC1	740765634	LEHDZCCLYMCUIE-DTQAZKPQSA-N	319.408	3.933	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)[C@H](C)c1ccccc1	746371267	WFTIZFHBPMLIPB-AWEZNQCLSA-N	310.397	3.621	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@@H]2CCc3ccccc3C2)c1	748382723	XIZPYHSCXRVHCF-MRXNPFEDSA-N	308.425	3.942	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc2C1	750044931	KLMRJBVINCDYOC-GRSHGNNSSA-N	319.364	3.908	50	20	DHGD	
CC1(CC(=O)NNc2ncccc2C(F)(F)F)CCCCC1	753804998	GNLJQMOJFKMZFF-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCCCCC=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	755562168	CEVFMXBISSGCKG-CQSZACIVSA-N	306.406	3.535	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(F)c(C(F)(F)F)c1	755685289	RBULCDVYEWPCOQ-UHFFFAOYSA-N	316.298	3.875	50	20	DHGD	
N#C/C(=C/c1csc(-c2ccc(F)cc2)n1)c1ccncn1	758915360	XUXASJUTTXYVBS-GHXNOFRVSA-N	308.341	3.803	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(-c2ccccc2)nn1)C(C)(C)C	762813325	APZDYRSNHKQKDB-OUKQBFOZSA-N	310.401	3.579	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)C1	762817470	IHDBWJCCSOINCX-QBQSQJOESA-N	323.318	3.767	50	20	DHGD	
Oc1nc([C@H]2CC[C@H](Br)C2)nc2ccc(F)cc12	765984209	ZZKTVZACFCRPES-YUMQZZPRSA-N	311.154	3.506	50	20	DHGD	
CSCCCCCCNC(=O)[C@H](Br)C(C)(C)C	768448501	LWRUUSCZBUQNOD-NSHDSACASA-N	324.328	3.836	50	20	DHGD	
C[C@H](CBr)CN1C[C@H]2CCC(=O)c3cccc1c32	770668021	IFFINAMNHBMZFB-GHMZBOCLSA-N	308.219	3.598	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cscc2Cl)cc1	771885205	PLANUBJALLRTLV-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
Cc1nc2cc(NC(=O)NNc3ccc(C#N)cc3)ccc2s1	775722195	GPNZTLQRZDDXGX-UHFFFAOYSA-N	323.381	3.625	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](F)Cc2ccccc2)c(C)c1	778392315	KIGRUFKJBMTSEL-MRXNPFEDSA-N	300.377	3.636	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)c(OC(F)F)c1	781555945	SJZGLWVRKIFXOR-MDWZMJQESA-N	321.323	3.963	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)c1	786055207	CSULIECMXMNWMN-CXUHLZMHSA-N	310.784	3.872	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(F)cc1OC)c1ccccc1	788188041	FRXRWJWFUCGFKS-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
C=C(CBr)CN1CCc2c(F)cc(F)cc2[C@H]1C	791472565	KAIQLCMLNCWWMH-SNVBAGLBSA-N	316.189	3.835	50	20	DHGD	
O=C(NNc1ncc(F)cn1)C1(C2CCCCC2)CCCCC1	792284133	DSMILRQWBWTTQA-UHFFFAOYSA-N	320.412	3.590	50	20	DHGD	
CC(C)O[C@@H](C=NNC(=O)CCc1ccccc1)c1ccccc1	792997527	ZIKNFKOGQLZJBW-IBGZPJMESA-N	324.424	3.888	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CC1(Cl)Cl	794950479	XSQQOOKGQVJZJN-LLVKDONJSA-N	301.217	3.755	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](c3ncccc3C)C2)o1	799111861	WILCONSDCJEJED-CQSZACIVSA-N	311.385	3.735	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)n1cnc2ccccc21	799754737	CRHXCCDISOLNDR-AWEZNQCLSA-N	322.412	3.611	50	20	DHGD	
Cc1cc(OC(=O)Cc2ccc(Cl)s2)ccc1[N+](=O)[O-]	800802188	DLQHBZJRKUOQOD-UHFFFAOYSA-N	311.746	3.766	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	802050949	OOIVGYOLNGWJKW-KHPPLWFESA-N	309.797	3.548	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cn1	806564697	GCWKAUTVSWBZMV-ZSOIEALJSA-N	308.341	3.746	50	20	DHGD	
CC[C@H](C)CCC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	808742622	DHSYRNIGJAREGX-NSHDSACASA-N	302.330	3.875	50	20	DHGD	
CN1CCC(CCNCc2ccc(OCCCCl)cc2)CC1	811479148	YXHMPLKNGQEFJP-UHFFFAOYSA-N	324.896	3.516	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc2nccn2c1	812946202	RXWZVUINTIIUOL-UHFFFAOYSA-N	323.400	3.915	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cccc(C2CCC2)c1	812993341	MBIPCSXSWZZBEC-UHFFFAOYSA-N	323.396	3.729	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@@H](C3CC3)C2)cc1	813843526	SVUJWWFCCANHHB-YPOUMIDOSA-N	324.424	3.641	50	20	DHGD	
CC(Cc1ccc(F)cc1)=NNC(=O)c1cccc2ncccc12	814841143	CNIRWJIGSZPEST-UHFFFAOYSA-N	321.355	3.722	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1c(Cl)cccc1Cl	815817742	HIIBXZBMVXJVBT-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@@H](CC(F)(F)F)C1	817281746	OPJFDEYSZSYGDD-UWVGGRQHSA-N	302.178	3.682	50	20	DHGD	
CC(/C=C(/C#N)C(=O)C(C)(C)F)=C\c1cccc([N+](=O)[O-])c1	834447389	MKWUJPSOULOHKQ-NVGJIZNYSA-N	302.305	3.765	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1cn(C)nc1C(C)C	836587729	LERCVFCSVPIHDL-UHFFFAOYSA-N	321.812	3.654	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCCN2C2CCCC2)cc1	837053736	VXNJMVXVNFWDOX-SFHVURJKSA-N	315.461	3.660	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)C(C)(C)F)c2C)no1	840735706	RUUUEMHUYBZSAI-ZSOIEALJSA-N	315.348	3.615	50	20	DHGD	
COc1ccc(NCc2ccc(OCCCCl)cc2)cc1N	841040359	KTOJZGWPNMJVCG-UHFFFAOYSA-N	320.820	3.897	50	20	DHGD	
Cc1ccc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nc1	852525048	SDJVSVNJOCAENC-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1ccc(OC)cc1OC	853303161	OPBWZNYNUUTMKJ-ZDUSSCGKSA-N	316.401	3.556	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	860630960	KCWBBAXFVGFCSZ-RFUYNDQBSA-N	309.413	3.813	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(F)cc1Cl	885137383	WEDXOBHNETWTGG-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](c1ccncc1)C1CC1	899005975	LDQFNCQXGDVVBO-SFHVURJKSA-N	324.428	3.730	50	20	DHGD	
CCC1CCC(=NNC(=O)[C@H](C)Oc2ccccc2F)CC1	916335653	PFJSOOBOZFRXNO-UEWDXFNNSA-N	306.381	3.665	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(Cl)cc2C)CCO1	928336820	DNYBBQUCQSQBPV-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
O=C(NN=CC1=Cc2ccccc2OC1)c1ccccc1Cl	1317742616	HLJFWNFIRCBPDW-UHFFFAOYSA-N	312.756	3.532	50	20	DHGD	
COc1ccc2c(c1)CCCN(C(=O)C1CCC(Cl)CC1)C2	1345881329	GSAASQQXYFPCCN-UHFFFAOYSA-N	321.848	3.768	50	20	DHGD	
CCc1oc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1C(=O)O	1610078637	AQWSXQZBFANMTJ-BJMVGYQFSA-N	314.366	3.938	50	20	DHGD	
CCC(C=NNC(=O)Nc1ccc(C(=O)O)cc1)(CC)CC	1776045512	PHUNBDZESWTYCW-UHFFFAOYSA-N	305.378	3.709	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3o2)ccc1C(=O)O	1777285448	ASVJHFDRBGAXJV-WQLSENKSSA-N	320.304	3.599	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)cc1	1777433681	UHERMPURFYAPEU-ZSOIEALJSA-N	309.296	3.622	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2csc(C(=O)O)c2)c1C	1777443702	KDNMTUGJEVMPEP-MLPAPPSSSA-N	311.362	3.853	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@H](C)CCCC(C)C	42930362	BOVZRESVGGBXGD-CQSZACIVSA-N	320.437	3.546	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2cccc(Cl)c2)c1	45080716	FBFGIJJPZFXJJX-UHFFFAOYSA-N	304.777	3.886	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cccc(O)c3)c[nH]c2c1	66408282	AMYAUYOBBDERGP-ZSOIEALJSA-N	302.333	3.972	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)SCc2ccccc2)c1	78934577	PDHKBWBTYNLSLU-AWEZNQCLSA-N	300.427	3.760	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)c1nc(C)cs1)O[C@@H](C)C2	96843900	RDHAFZCDSPHDJB-RCROBYIUSA-N	312.394	3.848	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2Br)c1	120671567	DGGVBPKWQOXGBR-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
COc1ccc(SCC(=O)NNc2ccc(Cl)cc2)cc1	126839860	BKJJQRYOAZMIFB-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc3nc(C)ccc3c2)c1	127186818	NMQQHRXLFLPLKI-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(F)cc2C(F)(F)F)c1	134865799	FWVGFMBWBRADJL-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
C[C@@H](CBr)CN[C@H](C)c1cccc(OC(F)F)c1	152772607	RZSYNXOHIOEEEC-VHSXEESVSA-N	322.193	3.970	50	20	DHGD	
O=C(Cc1cc(Cl)ccc1Cl)NNc1ccccc1F	153194675	YNWURUBAPCCQAC-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)n(-c3ccc(C)cc3)n2)cc1	181879378	KIXMRCQVTUHQKJ-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccc(N(C)C)c2)CC(C)(C)C1	254432735	SLNKZBFLNKSUMI-CYBMUJFWSA-N	301.434	3.685	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	255346623	GYWDUQCTUVRKNH-GDNBJRDFSA-N	310.353	3.900	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccc(OC)cc2)cc1	267514185	JQVASGXRSWBKOI-CYBMUJFWSA-N	314.385	3.629	50	20	DHGD	
COc1ccc(C2(C(=O)NNc3ccccc3)CCCC2)cc1	269599030	HIOSNOHYLCAFDY-UHFFFAOYSA-N	310.397	3.650	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cn1	588580041	AAODQNPPJMDKGM-GDNBJRDFSA-N	315.380	3.545	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N(CC(F)F)C1CC1	730234856	FQNAYXZHCWOWCK-LLVKDONJSA-N	309.447	3.957	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)Cc1ccccc1F	731316896	NQAQNOQHWLPXPN-UHFFFAOYSA-N	304.390	3.555	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccco2)c1OC(C)C	732577402	IDTASLPRZPJJAA-UVTDQMKNSA-N	311.337	3.865	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1C	732803987	BVPFOZSJMIKAHS-ATVHPVEESA-N	313.445	3.823	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)o1	744035743	QMQIWXOVYMFCJM-LBPRGKRZSA-N	303.314	3.822	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cccc3cccnc23)o1	747356103	MSTQHFFAJGMATR-WBMJQRKESA-N	319.364	3.715	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2F)cc1-n1cccc1	748056161	CFVXKEPHVWLNSQ-UHFFFAOYSA-N	309.344	3.682	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@]2(C)CCc3ccccc3C2)c1	748359284	FUEVFOUJGMYHRE-FQEVSTJZSA-N	308.425	3.942	50	20	DHGD	
Cc1nccc([C@H]2CCCN(/C(=C\C#N)c3ccc(F)cc3)C2)n1	750794889	LGILPMVWKKFSJP-ASTMVQESSA-N	322.387	3.668	50	20	DHGD	
Cc1cc(F)c(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1F	757544091	BCQXCXGWCBBDJY-UHFFFAOYSA-N	307.252	3.709	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1ccccc1C(F)(F)F)C(C)C	760233778	LJJOKKRVYBCTTG-ZDUSSCGKSA-N	318.339	3.600	50	20	DHGD	
Cc1nc(COC(=O)[C@@H](Br)C(C)(C)C)sc1C	766752185	OZCDBSPTJRYJCS-SNVBAGLBSA-N	320.252	3.613	50	20	DHGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNc1ccccc1	768088718	SUAGGEQNFNDCKI-CQSZACIVSA-N	306.365	3.750	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](Br)C(C)(C)C)c1	768310874	IGLSJHJTAMPBAT-GFCCVEGCSA-N	313.239	3.556	50	20	DHGD	
Cc1cc(NC(=O)NNc2nc3ccccc3s2)ccc1F	770018119	ZXVWALKTCRFHTA-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)cn1	775243816	RUNPLCUFEOXBAR-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
COc1ccc(C(=O)NNc2nc3ccccc3cc2C)c(C)c1	777477313	IZRWRWMUFNBZQC-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CCN(C(=O)[C@@H](Br)C(C)(C)C)C1CCCCC1	781073342	HFBRPEQBHMZHQU-GFCCVEGCSA-N	304.272	3.977	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNC(=O)c1cc2ccccc2o1	784062213	YUQQSSXMXWNSKD-ZDUSSCGKSA-N	316.401	3.800	50	20	DHGD	
CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	787394057	CYNOXHPIBONYJE-QBDRBRNDSA-N	312.413	3.726	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ccc(Cl)c(OC)c1)C(C)C	790175800	RATUCWGFXHLGBT-CYBMUJFWSA-N	316.854	3.569	50	20	DHGD	
C=C(CBr)CN1c2ccccc2N(C)CC[C@H]1C	791478511	VMDZYXGYZXSFJL-CYBMUJFWSA-N	309.251	3.673	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(O)c(F)c1	791729595	MOMJSTGJRGUYON-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	793713851	UJAIBIJJNLXREY-KOLCDFICSA-N	300.324	3.763	50	20	DHGD	
O=C(NN=CCc1cccc(Cl)c1)c1cc2c(s1)CCC2	794872075	BPWZKJMOJPTZJO-UHFFFAOYSA-N	318.829	3.849	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)Oc1ccc(F)cc1	799758332	GQUNETRNJAEHPS-ZDUSSCGKSA-N	316.376	3.607	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802020061	GLWIKFPUQZMYMT-NSHDSACASA-N	311.813	3.709	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(C(C)(C)O)cc1)c1ccccc1	807971282	PQNPPIXXGMOBGH-GOSISDBHSA-N	324.424	3.558	50	20	DHGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NCC(Cl)Cl	808129796	TVGAHFKXOQVONM-LLVKDONJSA-N	317.260	3.985	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=CC(C)(C)CCC#N)c1	814992439	MKBPXGQWTBUOCT-UHFFFAOYSA-N	322.796	3.786	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(F)cccc2F)c(C(C)C)n1	827510786	GVTQPHOWIACEEO-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
COC[C@@]1(C)CCN(C(=O)CCCC[C@@H]2CCSS2)C1	833544523	WXRGYRJNEIKJQY-HIFRSBDPSA-N	317.520	3.586	50	20	DHGD	
COC(=O)c1cc(NNC(=O)C[C@H](C)CC(C)(C)C)ccc1F	837034906	XDZWMLPIGPLDMI-NSHDSACASA-N	324.396	3.518	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCCn2ccnc2)C1	844335959	JIUBUGUQNHIPOA-INIZCTEOSA-N	323.557	3.759	50	20	DHGD	
Cn1cnc(CN2CCCC[C@@H]2CO[Si](C)(C)C(C)(C)C)c1	852208347	FLCZANMWDXJXLN-MRXNPFEDSA-N	323.557	3.796	50	20	DHGD	
CCCC[C@H](C(=O)NNc1oc(C(C)C)nc1C#N)C(C)C	857085688	GCNXVXULWWFJBB-LBPRGKRZSA-N	306.410	3.575	50	20	DHGD	
CCC[C@H](C(=O)NN[C@@H](C)C(F)(F)F)c1cccc(Cl)c1	862323459	VLMUCBGHEJFXDZ-CABZTGNLSA-N	322.758	3.795	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ccc(F)c(Cl)c1	863080855	PULXELWLSULHST-CQSZACIVSA-N	314.788	3.660	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)OC(C)C)cc(C(F)(F)F)c1	863180342	LGTLMDRYTMTABF-WCIBSUBMSA-N	313.275	3.573	50	20	DHGD	
Cc1[nH]ccc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912581762	JSNVAUBVPVDZMR-ZDUSSCGKSA-N	308.498	3.559	50	20	DHGD	
C=CCC(F)(F)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912582285	NVJUKBRPNAGXTO-GFCCVEGCSA-N	319.468	3.821	50	20	DHGD	
CCO[C@H]1C[C@@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	916092684	ZSGGRKCKVKSYBC-XVKPBYJWSA-N	323.607	3.515	50	20	DHGD	
O=C(NN=Cc1ccccc1OC(F)F)c1ccccc1Cl	1317712677	OIWIXDWBFUSZDV-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2cccc(Cl)c2)cs1	1317961802	SKVYHDOMJXYCHD-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](OC2CCC2)C1	1336020309	YBBXWFDJFCHWAA-INIZCTEOSA-N	307.821	3.599	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(C)c(Cl)c2)CCO1	1342019699	QXZOBDUMCXEYMX-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
CCCSCC(=O)NN(Cc1ccccc1)c1ccccc1	59368370	LWQCRFFQIJALME-UHFFFAOYSA-N	314.454	3.868	50	20	DHGD	
CCC(CC)(CC)NS(=O)(=O)c1ccc(CCCl)cc1	86647747	SCWNVCXVJIRARW-UHFFFAOYSA-N	317.882	3.715	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1	113432278	ULEZGFKHKMTIPU-DTWKUNHWSA-N	322.277	3.777	50	20	DHGD	
Cc1cc(Cl)c(C(=O)NNc2ccncc2Cl)cc1C	119764003	MOAQXTOEBRRMJB-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1SCCc2ccccc21	120342195	MELJIUZGMGAHGH-OAHLLOKOSA-N	318.829	3.814	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C(C)C)nc3onc(C)c23)cc1	122197066	KGWLXSMOHAKWOW-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cn1	128043738	MDYUIJDLYYJNKF-ZSOIEALJSA-N	318.380	3.909	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2ccc(C#N)cc2)cc1	155158596	WAOFYGCAHWVEQD-AWEZNQCLSA-N	307.397	3.758	50	20	DHGD	
Cc1ccnc(CNC(=O)CCCC[C@H]2CCSS2)c1	294219936	RIQQKODVXNSEPJ-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccccc1C#N)c1ccccc1	490697227	QJSAKDFDMNGDDR-GQEMFKIVSA-N	315.376	3.733	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	727256366	YQSVSVOMBULHNY-MRVPVSSYSA-N	306.715	3.855	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C	728287661	VLLZTMJUXNBIIU-MKSIVCOJSA-N	313.445	3.727	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)c1cccc(C#N)c1	728780923	GSCKQBLJIWAPLE-UHFFFAOYSA-N	305.381	3.687	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)c2ccccc2F)ccc1[N+](=O)[O-]	731324194	JOSWFMCHIUZITC-NSHDSACASA-N	303.289	3.751	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(O)cc1F)c1ccccc1	731931600	LKNVMUNTSZCJGO-OAHLLOKOSA-N	314.360	3.565	50	20	DHGD	
C[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)C(F)(F)F	743297184	NIOUHPRLYHAPDL-SSDOTTSWSA-N	317.698	3.530	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)c1cc(Cl)ccc1O	745807025	UJUBQQIASPBNFC-UHFFFAOYSA-N	316.788	3.784	50	20	DHGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)c3ccc(F)cc3)n12	748997532	FHMQXIGTWHNASN-NTEUORMPSA-N	305.312	3.572	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cncc2ccccc12	752673499	LBCQPLAAKMWPJA-OQLLNIDSSA-N	317.323	3.920	50	20	DHGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1(C)C	753303005	RYBMITVVRCAXLZ-UKRRQHHQSA-N	317.820	3.893	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)[C@H]2CCCC(C)(C)C2)c1	756126262	GTGKGPWJIYSODJ-ZDUSSCGKSA-N	319.474	3.529	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cnc(Cl)c(C)c1	760243275	OETBJTGVESTABN-UHFFFAOYSA-N	302.765	3.507	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccc2sccc2c1	761572892	MTCYLHRMXXTIOZ-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)NC1CCC(F)(F)CC1	761775491	KBKYWCJZQBCYRE-UHFFFAOYSA-N	321.730	3.683	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1Cc2ccccc2C1	762140242	TYFZUZYKLPHGPY-UHFFFAOYSA-N	320.314	3.564	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C)nc2)c1C	764889036	UUMLKNZDOUYYMO-LICLKQGHSA-N	305.381	3.784	50	20	DHGD	
CCCC1CCC(=NNC(=O)c2ccc3c(c2)OCCO3)CC1	767491453	MWLGYBCSYUUPEO-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CC1(C)CC[C@H](CNC(=O)NNc2ccccn2)c2ccccc21	769725544	QOQQZZNQVIPLNF-CQSZACIVSA-N	324.428	3.563	50	20	DHGD	
Cc1nc2ccccc2cc1C(=O)OC[C@H](C)CBr	770315909	HUAGNZYNGWZYNW-SNVBAGLBSA-N	322.202	3.731	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1c(C)cccc1F	771697698	RYDQVDCVJDIABG-HNNXBMFYSA-N	300.377	3.846	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cccc(C#N)c2F)cc1	774889051	JVTMJRFNCJIEBK-RQZCQDPDSA-N	320.323	3.656	50	20	DHGD	
N#C/C(=C\c1ccccc1C#N)C(=O)c1ccc(OC(F)F)cc1	776267875	HUVJFKWWNUEBGI-OQLLNIDSSA-N	324.286	3.950	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H](F)Cc1ccccc1	778391531	AKGMCBQJCPYHIE-QGZVFWFLSA-N	312.388	3.589	50	20	DHGD	
CCC(CC)CC(=O)NNc1nc2ccc(OC)cc2cc1C	778477375	UOMWAWAPIXIKRX-UHFFFAOYSA-N	315.417	3.821	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1cnn(C(C)C)c1C	787156437	ZKSBWFRBGPMLID-UHFFFAOYSA-N	318.808	3.580	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)C(C)(C)CC	794873796	HLZGZCXMGRJKQD-LCYFTJDESA-N	316.357	3.906	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C)c([N+](=O)[O-])c1	799759567	RUDCPAZAAIYOLF-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCC[C@H]2CCCF)cc1C	800806348	WIDXUOZUABQWOY-HNNXBMFYSA-N	320.408	3.704	50	20	DHGD	
C[C@H](Sc1ccccc1Cl)C(=O)NCC(Cl)Cl	808128795	GJPJSRMGXCJURS-ZETCQYMHSA-N	312.649	3.741	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1cccc([N+](=O)[O-])c1Cl	809920117	NQEWLWQZFIUEDY-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1ccccc1NNC(=O)c1nc2ccccc2cc1Cl	810019912	UCKYADUMSNFOBH-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(F)c(F)c2F)ccn1C(C)C	815852203	KXMJPOXTWNAUMR-UHFFFAOYSA-N	311.307	3.552	50	20	DHGD	
CC1(C(=O)NNc2c(Cl)cccc2Cl)CC(F)(F)C1	820968556	BSGPOOUOWCUIBM-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
Cn1c(/C(C#N)=C/c2ccc3oncc3c2)nc2ccccc21	821031281	HIXMIRDJPZCXAU-MDWZMJQESA-N	300.321	3.779	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc2c([nH]1)CCCC2	822363456	ZHYZARRSLDHZTC-UHFFFAOYSA-N	323.318	3.669	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCS[C@H]1C	828560141	JHGFLMRABKXRHX-GXTWGEPZSA-N	307.463	3.639	50	20	DHGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2ccc(C(C)C)cc2)n1	837055307	DEMVLFWEXZLAJR-OAHLLOKOSA-N	314.433	3.718	50	20	DHGD	
CC[C@H](C)CONC(=O)NNc1cccc(Cl)c1Cl	838600269	PJYJIPDTUYDCKH-QMMMGPOBSA-N	306.193	3.597	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)n2)cc1	840714933	KJOLSBMWGRQOAK-RERGGYADSA-N	322.412	3.788	50	20	DHGD	
COC1([C@@H](C)NCc2ccc(OCCCCl)cc2)CCC1	840969149	BALWDYOGDOIJDP-CQSZACIVSA-N	311.853	3.742	50	20	DHGD	
CSCC1(CC(=O)NNc2cc(Cl)ccc2Cl)CC1	845857009	ZPQGRMXTUSZFND-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
CO[C@@H]1CCCC[C@H]1NC(=O)CCCC[C@H]1CCSS1	846454157	FMUVVFUVMYRZOW-BFHYXJOUSA-N	317.520	3.774	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCC[C@@H]1c1ccccc1	848083672	KDTYPDSPTMZILU-CHWSQXEVSA-N	300.229	3.832	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ccnc(Cl)c2)cc1	855469163	VRRAJVQENVPNJO-NSHDSACASA-N	303.793	3.544	50	20	DHGD	
CC1(C)C[C@@]1(C(=O)NNc1ncccc1Cl)c1ccccc1	857127634	VMBFXUDEJWNCKW-KRWDZBQOSA-N	315.804	3.546	50	20	DHGD	
C[C@]1(CNC(=O)c2cccc3ccsc23)C[C@@H]1Br	857395778	SZYONUDIPQSAOA-SMDDNHRTSA-N	324.243	3.805	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)/C=C\c1ccccc1C#N	899894517	JQFUCPWHCYKNAP-FPLPWBNLSA-N	322.320	3.702	50	20	DHGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccncc1	917209306	MPIJMSOCQVBFRK-UHFFFAOYSA-N	321.380	3.934	50	20	DHGD	
C=CCCO[C@@H](C)C(=O)NN(c1ccccc1)c1ccccc1	921145911	QTLKGFSNQARPGR-INIZCTEOSA-N	310.397	3.837	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cc(Cl)ccn2)s1	935275313	YSUSERSAEMXDKM-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CC23CCSCC3)c(C)c1	1117798365	RIANAICBEAZUNX-AWEZNQCLSA-N	304.459	3.588	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc2c(c1)CCC2	1318764591	KEFCNFOWGZVHHS-UHFFFAOYSA-N	306.409	3.648	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cncn1-c1ccccc1	1341570570	YREAWZOBENWJTD-CABCVRRESA-N	324.428	3.804	50	20	DHGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)Nc1nccs1	78876710	HAPGNCJBCISXAE-YFHOEESVSA-N	313.313	3.574	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cccc3c2OCCO3)ccc1[N+](=O)[O-]	91541156	KFFDSKVTPRXEED-XNTDXEJSSA-N	322.320	3.739	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	96765724	KGUGNUBEHBLTPM-JYRVWZFOSA-N	307.758	3.509	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cnn(CC)c2)cc1	111998228	FXTATTCQHGTHIA-BOPFTXTBSA-N	322.412	3.791	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)c(Cl)n2C)c1	127070163	NGVWCXFWSRYGGH-UHFFFAOYSA-N	312.200	3.706	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccc(C#N)cc3)cc2C1	155127390	MYOFYWJNYHOCOA-NSHDSACASA-N	311.410	3.501	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCCO1	160709858	QDDLUTVWYUTXPA-HNNXBMFYSA-N	318.442	3.892	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)S(=O)(=O)CCCC	192097657	VGILKEWAUGQAKL-DTQAZKPQSA-N	321.442	3.945	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(C#N)c2)c1C	208307607	QEOXOJGIYIBAPS-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)s1)C(=O)NC1CC1	209886425	DHNWLYHWSIXTIS-XFXZXTDPSA-N	312.369	3.740	50	20	DHGD	
CC(C)CCn1c(SC/C=C/C#N)nc2ccccc2c1=O	268611029	MEZOVNQXBXQKNI-AATRIKPKSA-N	313.426	3.614	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	726593713	ADGDUOYDSJMVCC-UQRISPGASA-N	323.352	3.908	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	728694914	NELNGUPMWZYRJQ-FMNVXAMXSA-N	302.333	3.767	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C)CCCC2)c1C	728705499	RAWUHEGHUODIAX-ATVHPVEESA-N	313.445	3.871	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1cc2ccccc2o1	731488386	FLZUBEYQOBEIRY-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
O=C(NN=Cc1cccc2ccccc12)c1ccc(O)c(Cl)c1	734093759	QVNWBSVDSMRNGI-UHFFFAOYSA-N	324.767	3.963	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1cccnc1)c1ccc(F)cc1	734295096	AERYVLYCOACWMH-UHFFFAOYSA-N	313.376	3.791	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1cc(F)c(F)cc1F	734552048	JONXHTOFRWAWRU-VHSXEESVSA-N	300.324	3.763	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)c1ccc(CC)cc1	741887172	HDEHANUUTATSLZ-AWEZNQCLSA-N	304.434	3.617	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1cccc2cnccc12	748769227	ALXJVOSDEKKAGM-OAHLLOKOSA-N	317.392	3.798	50	20	DHGD	
C=CCN(C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C)C1CC1	754417170	QJRVNNKDQAHXHD-ATVHPVEESA-N	311.429	3.599	50	20	DHGD	
C[C@H]1C[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)CC[C@H]1C	756625401	KJTOWDLBPSHNCT-RVEUJFNVSA-N	300.377	3.674	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)c2ccncn2)cc1OC	758914477	GQIAIQCEGXIPQQ-XNTDXEJSSA-N	309.369	3.728	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc2ccccc2n1	767034786	YWHOKUSDYOONRM-ZDUSSCGKSA-N	321.218	3.983	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	768242794	AOKLMRDHPAAZLI-ZDUSSCGKSA-N	305.378	3.644	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccccc2F)c(C(C)(C)C)n1	769550385	DNEZHFZJLKBBQZ-FMIVXFBMSA-N	311.360	3.647	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)OC2CCCCC2)c2ccccc21	769725848	NBZDLWOEKMRDJG-WYMLVPIESA-N	323.396	3.839	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1cccs1	773095408	SLCKOITZVNLCAH-LLVKDONJSA-N	322.817	3.709	50	20	DHGD	
Cc1nc(C2CCCCC2)sc1C(=O)NNc1ccccn1	777471502	MTVNMSFLBTUJEQ-UHFFFAOYSA-N	316.430	3.651	50	20	DHGD	
CCCCSCC(=O)NNc1ccccc1OC(F)(F)F	779209460	MJAUMIZWMCIEDZ-UHFFFAOYSA-N	322.352	3.562	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2c(F)cccc2F)cc1	779265914	XJKIMSYSCCFAGZ-NTEUORMPSA-N	313.303	3.924	50	20	DHGD	
CSCc1c(C(=O)N2CC=C(C#N)CC2)oc2ccccc12	780687917	PQFCYFNBDQWDJU-UHFFFAOYSA-N	312.394	3.592	50	20	DHGD	
Cc1ccc(C)c(N(C(C)C)S(=O)(=O)CCCCCl)c1	780773723	APLOGSJZFSDONT-UHFFFAOYSA-N	317.882	3.867	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c(C)[nH]c3ccc(F)cc23)cc1	782223632	UPSUGZQIYYCHND-UHFFFAOYSA-N	323.371	3.942	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1ccc(O)c(Cl)c1	782229999	DPFHXEYZMWZIAU-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1cc(F)cc(F)c1	782311184	SULHHHAWVIOXDC-NSHDSACASA-N	321.161	3.818	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(Cl)cc1F	783512704	AVRMIMMMXXANSM-UHFFFAOYSA-N	318.779	3.952	50	20	DHGD	
CCOC(=O)NN=Cc1ccc(Oc2ccc(OC)cc2)cc1	783783465	KLXQPXMKXIXWRO-UHFFFAOYSA-N	314.341	3.568	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCC#Cc1cccc(Cl)c1	785378912	URXLMLNFXGUTPH-ATVHPVEESA-N	321.763	3.842	50	20	DHGD	
CC(=O)c1c(C)cc(C)c(COC(=O)/C(C#N)=C/C2CC2)c1C	786671806	XCDRIYFHHJZRFG-LZYBPNLTSA-N	311.381	3.718	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1csc(C2CCCC2)n1	786680804	NJJLOFRFEOXXPE-NTUHNPAUSA-N	302.399	3.704	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(Br)c(Cl)s1	790157771	PLWLWBRABYYEBC-ZCFIWIBFSA-N	323.643	3.660	50	20	DHGD	
CCOC(=O)NN=C/C(C)=C\c1ccccc1C(F)(F)F	799864587	IJQPCHPYOOXGLI-GNAHVBDCSA-N	300.280	3.841	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccccc1Oc1ccncc1	801114715	HICFLSXDLDQVJG-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CSSCCNC(=O)N1CCCC[C@H]1Cc1ccccc1	807225513	LJEHCJUWVRTBCO-HNNXBMFYSA-N	324.515	3.804	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc(C#N)ccc2F)cc1	808791974	CACVUEWYYNKGLR-PXNMLYILSA-N	320.323	3.656	50	20	DHGD	
O=C(NCC1CC(F)(F)C1)NNc1cc(Cl)cc(Cl)c1	813766729	GCZKPYWMYSRTQF-UHFFFAOYSA-N	324.158	3.665	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1nc2ccc(OC)cc2cc1C	819473738	KOJWPYZCONOCEP-UHFFFAOYSA-N	313.401	3.597	50	20	DHGD	
COCCC1(C(=O)NNc2c(C)cccc2Cl)CCCC1	836933709	NHGNSASPAOKMGY-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
CCOC1CC(CC(=O)NNc2cccc(Cl)c2Cl)C1	838348627	HMSKYMFRYIFGKL-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
C[C@@]1(CNCc2cnc(C3CCC3)s2)C[C@H]1Br	856807467	OESVPLXGFXSOCF-YPMHNXCESA-N	315.280	3.674	50	20	DHGD	
C[C@]1(CN[C@H]2CCSc3ccccc32)C[C@H]1Br	857081326	FAXOBRJSODKRSL-IACUBPJLSA-N	312.276	3.987	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	857393113	IXGILNGZZPHPQU-XJKSGUPXSA-N	324.262	3.562	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NN[C@H](C)C(F)(F)F	862313549	JIJNGZDADDWKHC-DGCLKSJQSA-N	308.388	3.945	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1cc(Cl)ccc1F	871271833	ALBHPKOXCYXDGF-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
C=CC(C)(C)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	879064415	FRFYDWYYVKNOSJ-UHFFFAOYSA-N	311.307	3.622	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C2CC=CC2)C1	891547375	XXGZLPQHQJLFGN-HNNXBMFYSA-N	309.526	3.965	50	20	DHGD	
CCC(C=NNC(=O)COc1ccc(Cl)cc1Cl)CC	916254694	JXOOCVHMIIUALL-UHFFFAOYSA-N	317.216	3.910	50	20	DHGD	
C=C(Cl)COc1ccc(C(C)=NNC(=O)C(C)(C)C)cc1	917547822	CXCDARVSVOBVCN-UHFFFAOYSA-N	308.809	3.704	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](CC(C)(C)C)c1ccccc1	917600734	ABZABDBADZTKHD-KGAUPUERSA-N	300.402	3.724	50	20	DHGD	
Cc1cc(NNC(=O)N[C@H](C)c2c(C)noc2C)ccc1Cl	918649540	BITGONDINJUIEV-SECBINFHSA-N	322.796	3.641	50	20	DHGD	
Cc1cnc([C@H](C)NC(=O)NNc2cc(Cl)ccc2C)s1	921346747	PXYNKRINUJPZHG-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
CCCC(=NNC(=O)c1ccccc1Cl)c1ccccn1	1117701792	BADHEIHNNIGNEL-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
CCN(C(=O)CCl)[C@@H](C)Cc1ccc(C(F)(F)F)cc1	1118554506	VGOZSEWDAFVNHA-JTQLQIEISA-N	307.743	3.724	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3ccccc3C)ccc2c1	1319111384	UWKXECDEQPVYGK-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@@H](Cc3ccccc3)C2)cc1	1343871255	JFBTUQAVRNWERG-INIZCTEOSA-N	322.408	3.824	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cccn2C)cc1	6854026	DZIFAVIGADNJCV-DTQAZKPQSA-N	307.397	3.913	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1	78245157	ZSOSSEGKJKFELY-UHFFFAOYSA-N	317.820	3.943	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OCC3CC3)cc2)c1	97373650	SFUPQUPCVNWFFI-UHFFFAOYSA-N	310.397	3.849	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccnc3ccccc23)cc1	106923865	QFTUSKDHMUKGDF-UHFFFAOYSA-N	309.394	3.714	50	20	DHGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNc1ccc(Cl)cc1	120175493	JDVUGYQKWDSHID-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
O=C(Cc1cccs1)NNc1c(Cl)cc(F)cc1Cl	124281623	ZIWXPBZADJXULW-UHFFFAOYSA-N	319.188	3.880	50	20	DHGD	
O=C(/C=C/Sc1ccccc1)NNc1ccc(F)cc1F	170814385	GNQDYSOIQNYHRV-CMDGGOBGSA-N	306.337	3.714	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OC(F)F	171019606	LHAWFWSNBFNNOX-IZZDOVSWSA-N	324.283	3.718	50	20	DHGD	
CC(C)(C)c1nc(CC(=O)NNc2cccc(Cl)c2)cs1	171187200	CCGCQLPZFSUFSY-UHFFFAOYSA-N	323.849	3.780	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Cl)s1	172090050	VFZTZZIFLSWJIH-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc2cccnc12	186071472	UETBYMFJBWGEQO-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(Cl)nc1)c1ccccc1	266539760	OTTVYGHZVUAFJA-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)CCCc2ccccc2)o1	727688959	KGGSFTQNDNOQTJ-PBHICJAKSA-N	310.397	3.876	50	20	DHGD	
CCCOc1c(C=NNC(=O)CC(C)(C)C)cccc1OCC	728431302	QCOOMTWEGKZGPW-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1C	731312585	PXXUHAMNJNRMFI-UHFFFAOYSA-N	321.355	3.836	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)NC(=O)NNc1ccccc1	734269414	JXZFFPMUSHZFIN-GFCCVEGCSA-N	303.793	3.597	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2c(F)cccc2F)o1	735701589	YAIOPURPIVMJGY-JQWIXIFHSA-N	320.339	3.757	50	20	DHGD	
CC(=NNC(=O)O)c1sc(-c2ccc(Cl)cc2)nc1C	736125640	JYLRTENBWREMRB-UHFFFAOYSA-N	309.778	3.764	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc3ccccc23)C12CCC2	741465114	CZDYAWXECUPKNX-GOSISDBHSA-N	322.408	3.905	50	20	DHGD	
Cc1ccoc1/C=C(/C#N)C(=O)Nc1nc(C(C)(C)C)cs1	742350024	NMDGWMXRSHIABQ-XFFZJAGNSA-N	315.398	3.888	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cncc3ccccc23)c(C)c1	743761346	AXEVDRVGFRTYQY-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	748005205	RRCCRCAXKZLXKU-GFCCVEGCSA-N	313.357	3.865	50	20	DHGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNc1cccc(F)c1	748091036	ARMFITSCSOWRPO-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
C[C@H](CC=NNC(=O)NCCc1cccs1)c1ccccc1	755668534	NCNRDIDZRGACPD-CQSZACIVSA-N	315.442	3.769	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OC[C@H]1CC1(Cl)Cl	766749713	DKSZGFFFTZMONT-RNFRBKRXSA-N	318.038	3.533	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2ccc(F)cc2F)cc1	780480103	HFISWVKSXHKTJB-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCc1ccccc1Cl	781066867	QMDKSSSLXABCRE-LLVKDONJSA-N	318.642	3.766	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCC2(CCCC2)C1	783853292	UUOSFJNDVLBLOC-LBPRGKRZSA-N	316.283	3.979	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc2cccc(OC)c2o1	792634029	YUZLFHIEJCTXHF-GXDHUFHOSA-N	319.382	3.521	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)[C@@H]3CCCOC3)co2)cc1	794955029	YJFLLZKDDVHTIK-INQNZLQJSA-N	322.364	3.553	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)Oc1cccc(C)c1	799758001	SNWWVOPUBDJSKV-OAHLLOKOSA-N	312.413	3.776	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(F)ccc(C)c1F	799758231	CHWMYSHKUMXTMC-UHFFFAOYSA-N	304.340	3.901	50	20	DHGD	
CC(=O)c1oc2cc(C)ccc2c1CC(=O)NNc1ccccc1	806372999	OPVCOAFPMNVXTD-UHFFFAOYSA-N	322.364	3.630	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1	812768285	NHWUJIJUQZWADO-UONOGXRCSA-N	302.418	3.567	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cc1O	815005347	XNKJGVSHYDAWPP-UHFFFAOYSA-N	321.739	3.730	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(Cl)n2)oc2c(F)cccc12	817012032	VBCRDJAKJYAYNC-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
C[C@@]1(CC(=O)NNc2ccccc2Cl)CC1(Cl)Cl	827176236	PRKDVLFWGZRIKI-LLVKDONJSA-N	307.608	3.757	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1cccc2cnccc12	827185955	JYDNBEWPOONHPH-JTQLQIEISA-N	311.307	3.657	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)F)cc(Cl)c1OC	834446564	AXVZEMHSISFXJW-BJMVGYQFSA-N	311.740	3.581	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	836791175	OBVHHNFCKYTIJM-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
COC[C@@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	837143502	MQCIKFRYZAZHKG-UONOGXRCSA-N	317.520	3.728	50	20	DHGD	
CCCn1nccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	853007535	BLQVOILKHGCZMG-DHZHZOJOSA-N	306.291	3.771	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1cc(C#N)ccc1Br	855617957	QKDFKQMHXDEQIP-UHFFFAOYSA-N	324.222	3.590	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ccc(Cl)cn2)c1	856094239	BEYJKGASGYEDQM-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)c2sc(C(C)(C)C)nc2C)cc1F	856229780	WPVHFTDFXOAETE-UHFFFAOYSA-N	321.421	3.953	50	20	DHGD	
CCC1(C(=O)NNc2ccc(OC)cc2C(F)(F)F)CCC1	857265295	HZRWKLGCOBLHGW-UHFFFAOYSA-N	316.323	3.737	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1cc(F)cc(Cl)c1	869256069	BLKZPRMVNBKZDQ-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
Cc1ccccc1OCCCC(=O)NNc1cccc(Cl)c1	874434586	WAWCBEZOWDSQRG-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=Cc1c(C)cc(C)cc1C	916304808	OWSUFABVTODTRA-UHFFFAOYSA-N	324.424	3.703	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2Cc3ccccc32)c(C)c1	919658337	RHLZGLBILGBBHV-MRXNPFEDSA-N	309.413	3.578	50	20	DHGD	
C[C@H](CNC(=O)C1CCC(Cl)CC1)Oc1ccccc1F	1263751255	WQNIVMDSQGMZIV-PNESKVBLSA-N	313.800	3.507	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(N3CCCC3)cc2)cc1	1317821597	ZTKZBYRDNMFTGP-UHFFFAOYSA-N	321.424	3.613	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cccnc2)cc1	6516918	VGXSZTVLVZQCTG-ATVHPVEESA-N	305.381	3.970	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1)C(=O)Nc1ccc(F)c(Cl)c1	7164792	LVKVXJKEKUNQGL-IZZDOVSWSA-N	316.719	3.730	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc(C3CC3)n2)c1	63275944	IDYDEHFKDFUVHG-JYRVWZFOSA-N	309.394	3.875	50	20	DHGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	72535327	DDCYMYLGJULLIT-JXAWBTAJSA-N	315.376	3.826	50	20	DHGD	
Cc1ncc(CNC(=O)CCCC[C@H]2CCSS2)s1	97725927	MNKAEBRGFHZELW-NSHDSACASA-N	316.517	3.782	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc(OC(F)F)cc1	151838801	MTLRJVVYFPRLAM-UHFFFAOYSA-N	300.349	3.948	50	20	DHGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1cccc(F)c1	154700256	IVBIPLWBLSBVIQ-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
I[C@@H]1CCCC[C@H]1OCC1CCCC1	158496271	KIVWHCQSIPUXQO-VXGBXAGGSA-N	308.203	3.939	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2ccc(F)cc2F)cc1	176153327	CNTBPILVVSLSDU-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
N#Cc1ccc(CC(=O)NNc2c(Cl)cccc2Cl)cc1	177827665	OCGTWQSTIVGLEY-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
CS[C@@H](C(=O)NNc1ccc(Cl)cc1)c1ccccc1	178846898	ALMWONOSKFYBSQ-CQSZACIVSA-N	306.818	3.887	50	20	DHGD	
O=C(CCCc1cccc(C(F)(F)F)c1)NNc1ccncc1	186333787	PRPBXZRCVDHJNW-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
FC(F)Oc1cccc(Br)c1CBr	238528566	NMGPIHODSBCQJA-UHFFFAOYSA-N	315.939	3.945	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cccc(/C=C(\C#N)C(=O)C(C)C)c1	254987503	SIRUJOXDDNVRSW-BUOZRGFLSA-N	320.392	3.951	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(Cl)cs2)cc1	588600633	ATNCRIWSEPXNCS-AWNIVKPZSA-N	316.813	3.933	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)c1C	727655515	VTMGNOMIFLXYOE-MHWRWJLKSA-N	305.333	3.792	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	727976392	RSALHESMIXVJJV-WHHCHZNCSA-N	322.330	3.706	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)c2c(c1)C[C@H](C)O2	728438381	VZTBNTJBHBWMAV-OLWAXZHHSA-N	319.360	3.808	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2cccc(N(C)C)c2)s1	744729307	RKIZYDISJXOLBX-UHFFFAOYSA-N	315.442	3.531	50	20	DHGD	
Cc1cccnc1C(=O)NN(Cc1ccccc1)c1ccccc1	749873627	GLVOHXUDVBECLW-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccccc3F)co2)cc1	755484954	VXPNMUMPVHHWLN-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	759659083	ZXRYBAAGZABDSF-NSHDSACASA-N	320.314	3.907	50	20	DHGD	
O=C(NNc1nccc2sccc12)Nc1cc(F)cc(F)c1	765292548	WDZQNCFVOOXVHU-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc3ncccc23)cc1Cl	766451710	VEBBBERQJWGTPW-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
COc1cccnc1NC(=O)NNc1ccc(C(C)(C)C)cc1	771796225	PJTBUPMOPVWHQS-UHFFFAOYSA-N	314.389	3.536	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(Cl)cccc2Cl)o1	772380422	CBLLQOOKIIUBGX-UHFFFAOYSA-N	313.140	3.546	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1cc(Cl)ccc1Cl	773493374	YGMONZZBYVQUGG-QMMMGPOBSA-N	307.246	3.968	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	779898778	LRCGUMPEBQAXHO-CHWSQXEVSA-N	321.490	3.810	50	20	DHGD	
CCC1(C=NNC(=O)c2cccc3ccccc23)CCOCC1	781126176	BIZWOHPZHOVFFZ-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
C=C(CBr)CNC1(c2ccc(F)cc2F)CCC1	791491924	BJWBMUFOVBKLFU-UHFFFAOYSA-N	316.189	3.885	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1ccc(Cl)nc1	799101972	VYSNAGJDKBLJKS-UHFFFAOYSA-N	315.804	3.762	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NNc3ncccc3F)c2c1	805019568	IPFWGJHUUNYCKW-UHFFFAOYSA-N	313.332	3.847	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cc(Br)c[nH]1	807959634	WWBWICIVLBQITL-SECBINFHSA-N	314.227	3.709	50	20	DHGD	
CCCN1CCC(NCc2ccc(OCCCCl)cc2)CC1	811487056	RLGCRDUUWUATDC-UHFFFAOYSA-N	324.896	3.658	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)Nc1cc(F)cc(F)c1	815005640	ONKLNDIVODOBHS-UHFFFAOYSA-N	315.732	3.835	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c(Cl)cncc2Cl)c1	815853495	NCVUHHSAPWODKI-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(Cl)ccc2OC)cc1	817911438	QWYIBHOWEFGVOW-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	836933699	NDFUDQOVWJTOEI-HIFRSBDPSA-N	324.852	3.933	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CS[C@H](C)C1	840413170	DIRWWZJXASBSAL-OLZOCXBDSA-N	307.463	3.639	50	20	DHGD	
CCCCOc1ccccc1NC(=O)NNc1cccc(C)n1	860499274	NZXLCLSMZQULMV-UHFFFAOYSA-N	314.389	3.718	50	20	DHGD	
N#C/C(=C/c1ccc(F)c2ccccc12)C(=O)[C@@H]1CCCOC1	864366458	SFLCHCBBOFVYTH-MKRLJBPISA-N	309.340	3.882	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)C1CCC(C(F)(F)F)CC1	885143099	TXEYDBBSBFNYCM-UHFFFAOYSA-N	322.277	3.777	50	20	DHGD	
Cc1nc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c(C)o1	912582476	QAFQFOXCGINLCO-ZDUSSCGKSA-N	324.497	3.528	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCCC(C)(C)C)cc1	913262568	APDZFKHLQQFLJI-QINSGFPZSA-N	301.386	3.972	50	20	DHGD	
CCOc1ccccc1C(C)=NNC(=O)c1ccc(CC)cc1	916329759	VXSAEYIQJJCYSI-UHFFFAOYSA-N	310.397	3.802	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cccc(OCC#N)c1	1317946026	JLUPOOHIYXWAOJ-WJDWOHSUSA-N	302.333	3.687	50	20	DHGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776099494	KHUNCVBFNULONQ-ZDUSSCGKSA-N	316.401	3.707	50	20	DHGD	
CCC(=O)/C(C#N)=C/c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776676042	YFUHTUTXZPDGJD-VCHYOVAHSA-N	319.360	3.867	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776751333	QJVVALUDJQWQSW-QQCYMQAYSA-N	307.296	3.575	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2ccccc2C)c1C	123101646	ZVZHYVPAUJWMJR-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccnc1Cl	151887692	ZVEJYHDTAMXLLK-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc(F)c(Cl)cc1F	152665613	UXIIBOIYOUAINV-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCCc2sccc21	160716336	ACHWQRQFWBEPFI-CYBMUJFWSA-N	304.390	3.759	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CC(C)C)cc1	178691593	ZWQAVTFXDHDTNQ-DSQDWWTGSA-N	300.402	3.543	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	193289314	ADXCPCJPUXWKHK-NGWPFTMJSA-N	318.417	3.563	50	20	DHGD	
N#C/C(=C/c1coc2ccccc12)C(=O)NCCc1ccccc1	255887469	GDCXSWSMGQUZJE-VBKFSLOCSA-N	316.360	3.699	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1nc(C2CC2)c[nH]1	289406856	QUZUEEPULUFIFK-NSHDSACASA-N	311.476	3.940	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1C[C@H]1c1ccc(F)cc1	588611642	CGQPXMUMQLBZOJ-AXIDZEKWSA-N	324.330	3.544	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1ccc(Br)s1	727778139	ZRHYVLNPZXUSJY-MRVPVSSYSA-N	315.236	3.829	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(OC(F)(F)F)cc1	728429116	SEQVRWUGZHFPQE-UHFFFAOYSA-N	316.323	3.862	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cnn(C(C)(C)C)c2C)c(C)c1	743762665	GDADFAKRLQPSKI-UHFFFAOYSA-N	314.433	3.629	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC2CCC2)c1C	744199782	UZMTYWIQJJLONJ-YVLHZVERSA-N	300.402	3.765	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cc(Cl)ccc1O	744775965	KRVGDCDNNPVYIU-XEZLXBQYSA-N	318.804	3.588	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1ccc(Cl)c(F)c1	746695965	PCIPIPDAXRIEPT-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCC2CC2)c1C	747039730	SGQHVIFFBIGPRR-LDADJPATSA-N	313.445	3.680	50	20	DHGD	
C[C@@H]1CCc2c(F)cccc2[C@@H]1NC(=O)NNc1ccccc1	751102393	JWBQWGORBBOEEV-SJKOYZFVSA-N	313.376	3.775	50	20	DHGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)c1ccccc1	752712692	DKVGQRITRIOEME-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)CCCc1ccccc1	753215866	TWNHNEMOFJOLEP-UHFFFAOYSA-N	318.461	3.763	50	20	DHGD	
CC(CC1CC1)=NNC(=O)COc1cc(C)ccc1C(C)C	756819687	JCOWTAZUCCZQCE-UHFFFAOYSA-N	302.418	3.789	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3ccc(F)cc3C)cc2s1	762144969	RPOSHHRVWVNZPO-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H]1Cc1ccccc1	768222812	KVFJIUVSAPGJQY-KGLIPLIRSA-N	324.262	3.640	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1scnc1C1CC1	768365841	JLIIPVXURVMNGX-VIFPVBQESA-N	317.252	3.769	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1ccc(-n2cccc2)cc1	771708938	XHZFFGLFELVGAU-UHFFFAOYSA-N	323.371	3.611	50	20	DHGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	776258951	BOJAHYABZVVBLA-XYOKQWHBSA-N	303.264	3.979	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)Nc1ccccc1F	776965082	SXBFSZQQSQBCNB-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1C[C@H]1c1ccc(F)cc1	777461738	RARPRRJSTGUCMF-HOTGVXAUSA-N	321.355	3.621	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)nc2)c(F)c1Cl	790820836	GYAHYZXAYGHBNP-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2cnc3ccccc3c2)c1	792260421	XMICFMXXKKORDS-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
C=C(CBr)COC(=O)c1sc(CCC)nc1C	795442716	HZOFPNRVTLTPAX-UHFFFAOYSA-N	318.236	3.512	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)n([C@@H](C)CC)n1	799757426	WDXYUWCWBGQTLE-ZDUSSCGKSA-N	314.433	3.790	50	20	DHGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc(O)c([N+](=O)[O-])c1	799891579	GWEIWDCPVNARIZ-XQRVVYSFSA-N	317.728	3.935	50	20	DHGD	
C[C@@H](O)C[C@@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808753794	CVTXKYDDGFURLY-CABCVRRESA-N	301.547	3.634	50	20	DHGD	
C[C@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@H](C2CC2)O1	811498371	STPUHVFCBRKXSE-KBXCAEBGSA-N	323.864	3.694	50	20	DHGD	
CCC[C@H](CC)NC(=O)/C(C#N)=C\c1ccc(OCC)cc1	813428303	VUDUGURDJJRAKZ-IRVMHKCDSA-N	300.402	3.687	50	20	DHGD	
C[C@@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)CC=CCC1	819746693	FMIIRPFEMUSQRM-CYBMUJFWSA-N	300.189	3.578	50	20	DHGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNc1ccc2ccccc2n1	831749887	KNABFUUXHBVFHU-LLVKDONJSA-N	324.211	3.652	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)[C@@H]1CCCC[C@@H]1C	834924227	MUCOMQRQGKPCOC-SUMWQHHRSA-N	301.434	3.685	50	20	DHGD	
CCCCCCO[C@H](C)C(=O)NNc1ccc(C#N)c(Cl)c1	839726460	PIPRPPVNIFWCIC-GFCCVEGCSA-N	323.824	3.640	50	20	DHGD	
C=CCC1(O)CCN(Cc2ccc(OCCCCl)cc2)CC1	895834487	LZLDTMGBZIDABF-UHFFFAOYSA-N	323.864	3.597	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2CCCS2)C1	912579601	CLBZRIQUWVOEMK-OLZOCXBDSA-N	315.555	3.505	50	20	DHGD	
Cc1cccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1	916336354	CKKLUPFTGWGQPP-MRXNPFEDSA-N	310.397	3.529	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccccc1C	916358201	JQNRRTMGQFUGAK-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
O=C(NN=C1CCc2c(O)cccc21)c1ccc2ccccc2c1	917546614	CDHVHKTWZPTFQW-UHFFFAOYSA-N	316.360	3.626	50	20	DHGD	
CC(C)n1c([C@H]2CCCN(C(=O)CCl)C2)nc2ccccc21	1116434361	SRFNTZGCYUYLGS-ZDUSSCGKSA-N	319.836	3.562	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1ccccc1Cl	1317712862	USWIFOHMSYJJDR-UHFFFAOYSA-N	316.788	3.784	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(F)c(OC)c2)c1	1319573598	TVHGMBCHOWTGKZ-ZSOIEALJSA-N	311.312	3.633	50	20	DHGD	
COc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1F	1320700442	QFBOKBVNLYXZPO-JYRVWZFOSA-N	305.312	3.842	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Cn3cccc3)cc2)c1	1323859706	YVEJYZKLQKVLJI-UHFFFAOYSA-N	323.371	3.741	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c2ccccc2nn1C	1324153323	MIEZOZGRGNOCQV-UHFFFAOYSA-N	322.412	3.762	50	20	DHGD	
CC(C)[C@H](O)[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1347831372	JLYKLYGZPJUCOL-GQGLESIBSA-N	323.864	3.658	50	20	DHGD	
CCCCCCC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	11638691	VHPXQEARNUXHRH-UHFFFAOYSA-N	304.434	3.716	50	20	DHGD	
O=C(CCC(=O)c1ccc(Cl)cc1)NNc1ccc(F)cc1	45971577	LTALNQJDKLFUJZ-UHFFFAOYSA-N	320.751	3.585	50	20	DHGD	
O=C(CCc1c[nH]c2ccccc12)NNc1ccc(F)cc1F	66326219	DFDMIZCKAKGROU-UHFFFAOYSA-N	315.323	3.522	50	20	DHGD	
COCC1CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	112314055	YIMFGIYZGDDUMG-CQSZACIVSA-N	317.520	3.586	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	127022466	ADGHXUOYCAZFKQ-SDQBBNPISA-N	320.352	3.721	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)C)ccc1OC(F)F	128084855	JNEZUHBQXCDPRH-GHXNOFRVSA-N	309.312	3.819	50	20	DHGD	
CC(C)=CCOc1cccc(C(=O)NNc2ccccc2F)c1	153200861	JLOKXFGDRJZUKA-UHFFFAOYSA-N	314.360	3.928	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2Br)ccc1F	153564027	LSNJPIVAHDHQSL-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1Br	159704782	IRLNUZXQDXSCPK-UHFFFAOYSA-N	318.123	3.671	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	172000469	XUELKBODYQHJGS-VZUCSPMQSA-N	314.282	3.524	50	20	DHGD	
Cc1cnc(CNC(=O)CCCC[C@H]2CCSS2)s1	172714962	QUGAIHAKCDSHHX-NSHDSACASA-N	316.517	3.782	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1ccc(C)o1)C(C)(C)C	177294168	XPVBPAWTJPNPEY-CQSZACIVSA-N	323.437	3.527	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccsc2)c(-c2ccccc2)n1	179705615	WMTVDXWLDZUCLN-OQLLNIDSSA-N	319.389	3.938	50	20	DHGD	
N#C/C=C/CSc1nnc(-c2ccccc2F)n1C1CC1	268647844	TXKKSKGEKQGREV-ONEGZZNKSA-N	300.362	3.591	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CCCc2sccc21	274341233	IHPYHLFHLJRBTL-LLVKDONJSA-N	322.821	3.500	50	20	DHGD	
C[C@@H](c1ccccc1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490880652	VTPRKKIFJFKTSX-IQGJIOQQSA-N	306.365	3.519	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1F	727655637	ZDQZFYYRFNFMHW-QPEQYQDCSA-N	300.358	3.743	50	20	DHGD	
CC(C)COc1ccc(C=NNC(=O)CCc2ccccc2)cc1	730145561	FPWNJLXJCVAYFF-UHFFFAOYSA-N	324.424	3.804	50	20	DHGD	
CCc1ccccc1OCC(=O)NNc1c(C)cc(C)cc1C	743764826	RVEWOIAQOQJKDR-UHFFFAOYSA-N	312.413	3.696	50	20	DHGD	
CCCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	745781945	FUFAXCFDWCSMAT-LICLKQGHSA-N	301.434	3.536	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)[C@@H](C)c1nc2ccccc2s1	748786804	UVTMNNSBNMKMSE-GHMZBOCLSA-N	303.431	3.938	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1cc(C)ccc1OC(F)F	752173952	CIEJXAIGEUJILV-UHFFFAOYSA-N	322.311	3.652	50	20	DHGD	
CC1(C)CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	752469012	WOHKCVNTRHRGNS-NTCAYCPXSA-N	300.377	3.771	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C	754729106	ODJYLOXBHUEPDI-PDGQHHTCSA-N	321.424	3.836	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(F)cc(F)c2)cc1	755566505	MUGMMQFNCQIGRA-UHFFFAOYSA-N	320.364	3.516	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756782649	FVWSRSTTXMGCGQ-LCYFTJDESA-N	309.312	3.847	50	20	DHGD	
CC(C)(C)C[C@H](NC(=O)NNc1ccccc1F)C(F)(F)F	760051739	HQKNJEGMWNTTFF-NSHDSACASA-N	321.318	3.819	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)[C@@H]2CCCc3cccc1c32	763290428	QZFLNMNPMAOUQT-FSEGOYHTSA-N	312.800	3.822	50	20	DHGD	
C[C@H](C=NNC(=O)CNc1ccccc1)c1cccc(Cl)c1	763346977	XGXLKPCWXXPUAK-CYBMUJFWSA-N	315.804	3.658	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=S)Nc1cc(C)ccc1C)C(C)C	763546766	DQNUBRLAJUFARE-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
CC[C@H](C(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	764263818	MBAMMWHFQVZSON-LBPRGKRZSA-N	308.303	3.741	50	20	DHGD	
C=CCSCCNC(=O)NNc1ccc(C(C)(C)C)cc1	780827180	INDPJGPPTLAORC-UHFFFAOYSA-N	307.463	3.529	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC[C@H](C)[C@@H]1C	781126736	CYRZFJIDOLONHI-STQMWFEESA-N	320.458	3.716	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790585947	LDBBKOJNVWQBBX-LLVKDONJSA-N	311.357	3.784	50	20	DHGD	
COc1ccccc1-n1nccc1/C=C(\C#N)c1nc(C)cs1	797397389	CCKJYVKHQLHOEP-UKTHLTGXSA-N	322.393	3.710	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(OC)c2F)cc1	799888092	ACDZCJSEGWBZKL-RVDMUPIBSA-N	324.355	3.942	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C1CC1)C(F)(F)F	808866289	TVXHGHVIASHFSJ-CYBMUJFWSA-N	315.339	3.524	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1ccc(F)cc1	812240761	RABJFNWOJLMXGU-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(F)nc1	812955022	KBFVQCURQACWDW-UHFFFAOYSA-N	302.353	3.801	50	20	DHGD	
CCC[C@H](NC(=O)NNc1cccc(Cl)n1)c1ccccc1	814274394	LIPGEDJRTNAUFX-ZDUSSCGKSA-N	318.808	3.903	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCc3sccc32)cc1	817920946	DGSOEUNQOWLOQI-OAHLLOKOSA-N	316.426	3.710	50	20	DHGD	
CC(C)CN([C@@H](C)c1ccccc1Cl)S(=O)(=O)CCl	831425405	FLSNOCRCMXWMIF-NSHDSACASA-N	324.273	3.885	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](CC)C(F)F)c1C	833204713	TXLLNSNYBCIZLH-MZLJFPOFSA-N	323.387	3.582	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC[C@@H]2CCO[C@@H](C)C2)cc1	838545998	LZBRNZQUQWCNJZ-LSDHHAIUSA-N	319.449	3.641	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1CC[C@H](C)C1	840547911	WYAXABXQKISIRU-QWRGUYRKSA-N	310.829	3.523	50	20	DHGD	
CC1(OCC(=O)NNc2ccccc2Cc2ccccc2)CCC1	846463257	COSHZKFZQNUDGN-UHFFFAOYSA-N	324.424	3.680	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2Cc2ccccc2)CCCOC1	846464930	VSDJZHMSPULIHD-FQEVSTJZSA-N	324.424	3.537	50	20	DHGD	
Cc1noc(C)c1CCN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852524627	MREMHXYMDIJFKP-OAHLLOKOSA-N	324.541	3.930	50	20	DHGD	
Cc1cccc2c1OCCC2=NNC(=O)c1ccc(Cl)cc1	920355722	FQAXPKYDBPMJNY-UHFFFAOYSA-N	314.772	3.565	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2ccccc2n1	920975902	ZBKUEMGIZYODMN-PTNGSMBKSA-N	317.323	3.920	50	20	DHGD	
N#CCC[C@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1263770266	ZPBAHAJMNHIQAQ-GPANFISMSA-N	304.821	3.945	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1F	1319995036	WCBYQIIGVGWXOG-JYRVWZFOSA-N	310.284	3.832	50	20	DHGD	
C[C@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCl)C1CC1	1320466600	KNMHHZDXMUGJJE-SECBINFHSA-N	305.727	3.996	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1ccc(F)cc1	1337208541	GQCOKKDKWOVMEK-VBKFSLOCSA-N	317.323	3.801	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)C(C)(C)C)c2C)no1	8054521	CXACSHVMNKZWNM-OQLLNIDSSA-N	311.385	3.913	50	20	DHGD	
N#CC(C#N)=CNc1cc(-c2ccccc2)nn1-c1ccccc1	15241102	LUFNEQQBGXXZON-UHFFFAOYSA-N	311.348	3.882	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c1	71958051	AIMNRUIHUPUDGG-WJDWOHSUSA-N	324.336	3.684	50	20	DHGD	
Clc1ccccc1[C@@H](CBr)O[C@@H]1CCOC1	82454893	JFXHKZUWJHARNK-BXKDBHETSA-N	305.599	3.582	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c(ccc3ccccc32)[nH]1	103198258	VRBDYNZNJRBDJX-UHFFFAOYSA-N	323.396	3.518	50	20	DHGD	
COc1ccc2ccccc2c1CNC(=O)NNc1ccccc1	114922410	LRNDGDCZWFPESF-UHFFFAOYSA-N	321.380	3.675	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CCN3C)c1	129705305	VDZTZHUVTIPAJR-ATVHPVEESA-N	317.392	3.533	50	20	DHGD	
Cc1ccc(C(=O)C(=O)NNc2c(Cl)cccc2Cl)cc1	131657803	ZRDIRIRDRXLAJY-UHFFFAOYSA-N	323.179	3.628	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1ccccc1C(F)(F)F	150090976	SLCFMUJGPRTNSH-UHFFFAOYSA-N	312.335	3.975	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3ccccc3nc2C)c1	150829131	KLPBUAQGSVHRQY-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2(c3cccc(F)c3)CCCC2)cc1	155650538	LIPHZTCXUASBAD-UHFFFAOYSA-N	323.371	3.652	50	20	DHGD	
COc1ccc(Br)c(/C=C(/C#N)C(=O)C(C)C)c1	158326260	XDAKMCVTEOLMTB-WDZFZDKYSA-N	308.175	3.590	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(F)c(F)cc1Cl	160895235	JMXCVOADZNGNEU-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cn1	194537219	PZXFZOHFGWQDJJ-YIXHJXPBSA-N	315.323	3.706	50	20	DHGD	
CO[C@H](C)CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	195340886	FSIPMMHKEPMPTP-ZCFIWIBFSA-N	311.596	3.515	50	20	DHGD	
CCN(C[C@@H](O)c1ccc(C)cc1)/C(=C\C#N)c1ccccc1	255479202	GCXDOZVLAMZTAA-QRRJMBGHSA-N	306.409	3.915	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	491079276	ADOINJPTTGQHTH-XNTDXEJSSA-N	320.348	3.531	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1	727759695	RCFMQEAMIMTZEN-UHFFFAOYSA-N	308.303	3.984	50	20	DHGD	
CC[C@H](C)Oc1cc(C=NNC(=O)CC(C)(C)C)ccc1OC	728428912	MWPMCIJIMUEHAR-ZDUSSCGKSA-N	320.433	3.759	50	20	DHGD	
CCCCOc1cc(C=NNC(=O)CC(C)(C)C)ccc1OC	728431171	MYXUKFADHOBNKA-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(C2CCCCC2)cc1	728609251	UTBMNVYGMDTGMX-UHFFFAOYSA-N	316.445	3.932	50	20	DHGD	
C[C@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)C1CC1	729515938	UFCXZOSAWPIVJC-SNVBAGLBSA-N	303.793	3.768	50	20	DHGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)NC1CCCCC1	731835431	CSXXFZVULPBODR-QINSGFPZSA-N	305.381	3.591	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)o1	734093884	XKFUYQQGXDQIEE-CABZTGNLSA-N	318.760	3.526	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNc2c(F)cccc2F)o1	735759291	RXLIZNUXZTYLAN-MWLCHTKSSA-N	321.327	3.508	50	20	DHGD	
CCc1ccccc1CNC(=O)NNc1ccccc1Cl	741092043	RCPCVJHRBDYJSP-UHFFFAOYSA-N	303.793	3.729	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)[C@H](CC)c1ccccc1	742661871	UQENFDZSBHNFKX-NVXWUHKLSA-N	318.461	3.934	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(C)c1O	749823707	OSTXPFLPAOVDIR-UHFFFAOYSA-N	308.337	3.519	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@H](C)C(C)C	753168693	JYBVCLRWSQTMEQ-SNVBAGLBSA-N	313.239	3.747	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)CC2(C)CC2)cc1	757765995	KIJFTDFBVXBBEU-UHFFFAOYSA-N	319.474	3.537	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C)c(C)c2)cc1	758368064	LVOJYQARYDNEGA-WQRHYEAKSA-N	321.376	3.962	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cc(F)cc2cccnc12	760241439	DIJLGFATBFDETI-UHFFFAOYSA-N	322.343	3.838	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)NCC(C)C	767351428	BBRORDLCVXKGMB-LFIBNONCSA-N	300.402	3.545	50	20	DHGD	
Cc1c(NC(=O)NNc2ccccc2Cl)cccc1[N+](=O)[O-]	769926104	YAYQOGLOFZUUAZ-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
COc1ccc2nc(NNC(=O)CC3CCCC3)c(C)cc2c1	778476566	QWNYVPABLABFLL-UHFFFAOYSA-N	313.401	3.575	50	20	DHGD	
N#CC1=CCN(C(=O)c2cccc(-c3c(F)cccc3F)c2)CC1	780685912	GWECSCWPIFCWEW-UHFFFAOYSA-N	324.330	3.928	50	20	DHGD	
CCSCCC=NNC(=O)CCSc1ccc(F)cc1	781121488	JDXZGJAJWOQVOO-UHFFFAOYSA-N	314.451	3.553	50	20	DHGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)NNC(=O)C1CCC1	782552443	FTKMYQYZDOSXHM-UHFFFAOYSA-N	323.396	3.615	50	20	DHGD	
CSSCCNC(=O)C(C)(C)Oc1ccc(Cl)cc1	791153276	UBOIKIIQVXZCCJ-UHFFFAOYSA-N	319.879	3.625	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H]1CCC(C)(C)C1	794268577	AOTWXJOQBKOGGE-GHMZBOCLSA-N	304.272	3.833	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2csc(Cl)c2Cl)n1	794568164	VVAVJRRBUQGMFH-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
C=C(CBr)COC(=O)CCc1ccccc1Cl	795356568	DXLCDOGVRIHERZ-UHFFFAOYSA-N	317.610	3.767	50	20	DHGD	
C[C@H](Cn1ccc2ccccc21)C(=O)NNc1ccccc1F	802826137	WUSQGLIHZNQITG-CYBMUJFWSA-N	311.360	3.560	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNc1cccc(F)n1	804764709	AOPTUTJBWMQBFC-AWEZNQCLSA-N	307.413	3.906	50	20	DHGD	
N#CCCCCCC(=O)NNc1ccc(Cl)cc1Cl	807119375	QCJIPKVMLQGENE-UHFFFAOYSA-N	300.189	3.911	50	20	DHGD	
C[C@H](CC(=O)N(C)CC(Cl)Cl)c1ccc(F)cc1F	808248073	BFAWSJQPYSMQGG-MRVPVSSYSA-N	310.171	3.721	50	20	DHGD	
COc1cc(Cl)c(NC(=O)NNc2ccccc2F)cc1C	808899015	NTKJTYVKNUPHSQ-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
Cc1noc(C)c1CNCc1ccc(OCCCCl)cc1	811476271	QZXFSHGNAFJAPS-UHFFFAOYSA-N	308.809	3.589	50	20	DHGD	
Cc1nc(C(=O)NN(Cc2ccccc2)c2ccccc2)c(C)o1	814256927	YWFCLQQJEGNCHR-UHFFFAOYSA-N	321.380	3.643	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CC[C@@H]2C2CCC2)cc1	814754305	OALABHUSSTVDAW-OAHLLOKOSA-N	302.443	3.769	50	20	DHGD	
N#C/C(=C/c1c[nH]c(C(=O)O)c1)c1nc(-c2ccccc2)cs1	833063773	LOKJNCAPPYKUFA-MLPAPPSSSA-N	321.361	3.901	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cc2cc(Cl)cnc2o1	834412691	OPFRAMNLUSKHPW-XYOKQWHBSA-N	317.776	3.695	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CCC(F)(F)C1	838348093	DDBQLTXKGWYSDD-ZETCQYMHSA-N	309.143	3.872	50	20	DHGD	
O=C(NCCC1CC(F)(F)C1)NNc1c(F)cccc1Cl	838736786	YDQOVFIHSAAAGZ-UHFFFAOYSA-N	321.730	3.541	50	20	DHGD	
CNCCNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841188970	CETVPNHIWTUYAE-UHFFFAOYSA-N	319.299	3.685	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@H](C2CCCCC2)C1	855636757	PNKVKHUOSUMJEC-BOFQVRIASA-N	324.424	3.728	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1Cl	864366087	KAGGOGWNVKAJLN-GWHHBTOMSA-N	307.777	3.879	50	20	DHGD	
CC[C@H](C)C(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21	915976469	GSVUGIKMYKRBRO-JTQLQIEISA-N	301.365	3.510	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(-c2ccccc2F)s1	920988299	GOORICSVVNNERY-UHFFFAOYSA-N	305.378	3.597	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C(F)(F)c2ccccc2C)c1	1319724899	WLCPNTVYJXNYFS-UHFFFAOYSA-N	304.340	3.847	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(Cl)cn1	1320691977	HMGNKZZMCMTPHB-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ccc(C(C)C)cc1	1521652618	HAFGBLQCLHTGTK-CYBMUJFWSA-N	300.406	3.734	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CC2(CC(=O)O)CCCC2)cc1	1591967484	CCNMOHUJWUHKTM-UHFFFAOYSA-N	318.417	3.678	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605261840	LSKKFAFLWGMTGD-CYBMUJFWSA-N	306.406	3.743	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cccc(C(=O)O)c2F)sc1C	1777489416	LYHLYNGXLAPXGU-WDZFZDKYSA-N	302.330	3.661	50	20	DHGD	
CCOCc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OC	50234277	ZWWKGCPHFDQLDA-ZROIWOOFSA-N	301.386	3.754	50	20	DHGD	
Cc1cc(O[C@@H](C)C(=O)NNc2ccccc2)ccc1Cl	111552034	VHICRWLFBPPHSQ-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CSc2ccc(F)c(F)c2)c1	125046449	FPNNCCPILRGLGP-UHFFFAOYSA-N	322.380	3.817	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2cc(C)ccc2C)cc1	127638063	NSDGEMKASYCWJH-UHFFFAOYSA-N	311.429	3.907	50	20	DHGD	
C[C@H](NC[C@@H](C)CBr)c1ccc(OC(F)F)cc1	152772814	YJXYTACPVNEVSJ-UWVGGRQHSA-N	322.193	3.970	50	20	DHGD	
C[C@H]1CCC[C@@](CI)(OC2CCC2)C1	158368580	NSXKUBKCKXEICN-CMPLNLGQSA-N	308.203	3.939	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1	158880828	PCCAHMKAUBZLGS-GJZGRUSLSA-N	316.351	3.828	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ccccc1F	161083457	PULAUYHUDQFIGI-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1ccc(C)s1	182252071	YYJDLQUCDMZMJY-FMIVXFBMSA-N	313.378	3.864	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1sccc1Cl)c1ccccc1	195228418	VYGWIGNHGZZSSI-PKNBQFBNSA-N	302.786	3.971	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccc(C#N)c1)c1ccccc1	490701666	XOHXZGIXYMJCCB-XLXASQRYSA-N	315.376	3.733	50	20	DHGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)Nc1ccc(F)cc1	491011020	NNSPHBJROJXMBR-YRNVUSSQSA-N	313.357	3.705	50	20	DHGD	
O=C(/C=C\c1ccsc1)NNc1ccc(C(F)(F)F)cc1	492186111	YZOVPLQMTZDXDA-BHQIHCQQSA-N	312.316	3.923	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)ccc1C	588597407	NSNIPDPBGVWSLV-ZDLGFXPLSA-N	320.392	3.535	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2c[nH]c3ccccc23)c2ccoc2C1	731486335	UQCJPWYRCMMZRK-UHFFFAOYSA-N	321.380	3.867	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)Cc2ccc(F)cc2)C1	743428828	NHIVLLMGSMDOOQ-UHFFFAOYSA-N	310.372	3.726	50	20	DHGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)NC1CCCC1	743531441	XLWKLOOTLCILKL-UHFFFAOYSA-N	313.426	3.991	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1Cl)c1cccc(C#N)c1	745923533	RJGVZCSQOZIAIS-LLVKDONJSA-N	314.776	3.599	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1c[nH]c2cc(Cl)ccc12	749447004	MLKSCQNJRYXPRW-UHFFFAOYSA-N	303.793	3.852	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cncc3ccccc23)cc1Cl	753302530	IIWHJPBVDATJDE-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CC(C)(C)C=NNC(=O)c1ccc(Br)cc1Cl	755701947	UQXKEPOPKFYDIA-UHFFFAOYSA-N	317.614	3.864	50	20	DHGD	
CC(CC1CCC1)=NNC(=O)CCSc1ccc(F)cc1	758370931	GPBKBWUKMSKRRH-UHFFFAOYSA-N	308.422	3.990	50	20	DHGD	
CCC1(C(=O)NNc2ccc(F)c(F)c2F)CCCCC1	764264530	UUESLHIIPBULKJ-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(C#N)c(C)c2)ccc1[N+](=O)[O-]	766492012	UISFFGKRIRFWRM-PXNMLYILSA-N	319.320	3.848	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1ccnn1C1CCCC1	770197010	FLEBVBMXTUIOSJ-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1ccccn1	776758439	PBCPDXSWYIIVRG-UHFFFAOYSA-N	309.344	3.574	50	20	DHGD	
CC(Cc1ccccc1F)=NNC(=O)c1ccc(O)c(Cl)c1	780226490	FNWCPKPDFZCRTO-UHFFFAOYSA-N	320.751	3.533	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2c(F)cccc2F)cc1	780806204	BKXVIAQTXMIODZ-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
CSSCCNC(=O)CCc1c[nH]c2c(C)cccc12	791113469	JQDCHBWQFKMRPV-UHFFFAOYSA-N	308.472	3.536	50	20	DHGD	
C[C@]1(C=NNC(=O)Cc2ccc3ccccc3c2)CCCS1	792976526	DBXOZEPTNXUANX-GOSISDBHSA-N	312.438	3.770	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]2CCCC[C@@H]21	794742789	UHNQTAYCSOSIHQ-MELADBBJSA-N	317.389	3.644	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1c[nH]c2cc(Cl)ccc12	808247518	DEIFEMBXVXPZFB-UHFFFAOYSA-N	319.619	3.626	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)c1cc(C(F)(F)F)ccn1	812247032	YLHJFUQTUKBXBN-GHXNOFRVSA-N	318.254	3.863	50	20	DHGD	
COCc1cccc(C=NNC(=O)Nc2ccc(Cl)cc2)c1	815004954	REPNAVHQCADZIZ-UHFFFAOYSA-N	317.776	3.642	50	20	DHGD	
C[C@@H](CBr)CN1C[C@@H]2CCCCN2c2ccccc21	815228293	TUKHQVPXWVDCOC-KBPBESRZSA-N	323.278	3.897	50	20	DHGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1F	834448194	XQUFOEQPMHUCRD-UKTHLTGXSA-N	306.356	3.896	50	20	DHGD	
CSc1nsc(NC(=O)NNc2ccc(C(C)C)cc2)n1	836453240	VHAGEQVCAIFIBR-UHFFFAOYSA-N	323.447	3.532	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@@H]1CCCCC1(F)F	837563175	WHQGCKWIXDBZRN-SSUFTNFISA-N	321.323	3.668	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cc(C(F)(F)F)nn2C)sc1C	853006534	UHGHPVSKQPYKFA-RUDMXATFSA-N	312.320	3.576	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ncc(C#N)cc2F)C1	853897581	MCRNOFRRYJQZKB-ZDUSSCGKSA-N	321.472	3.693	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2cn(C)c3ccccc23)C1	901160243	WBCNSVQYBKYQGG-CYBMUJFWSA-N	315.442	3.570	50	20	DHGD	
C#CCCCCC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583340	VUPROVNNXRMIAN-OAHLLOKOSA-N	309.526	3.803	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1cc(C)c(C)cc1C	915918775	LMKHSHWXOZWRCX-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
CC(C)[C@H](C#N)C=NNC(=O)Nc1ccc(Cl)cc1Cl	1117742148	NWDSSVLHVFDTTJ-SECBINFHSA-N	313.188	3.896	50	20	DHGD	
CN(C)CCc1ccccc1NC(=O)c1cccc(CCl)c1	1262619931	NUQJWUBKRAHGED-UHFFFAOYSA-N	316.832	3.782	50	20	DHGD	
COC(=O)Nc1cccc(NC(=O)C2CCC(Cl)CC2)c1	1347363994	JRWPZPLJHSOFCZ-UHFFFAOYSA-N	310.781	3.601	50	20	DHGD	
N#C/C(=C/c1c(F)cccc1F)C(=O)Nc1ccccc1F	6438512	AVKPBWCRRAYQCG-NTMALXAHSA-N	302.255	3.650	50	20	DHGD	
N#C/C(=C/c1ccccc1OC1CCCC1)C(=O)N1CCCC1	66406151	ZBLWYNQMLZNWRX-SSZFMOIBSA-N	310.397	3.537	50	20	DHGD	
Cc1ccccc1OCCCC(=O)NNc1ccc(F)cc1F	73769526	AWQCMRJCTOJWAT-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CC(C)Nc1ncccc1C(=O)NNc1cccc2c1CCCC2	120319830	PUURJDDUEKYJJZ-UHFFFAOYSA-N	324.428	3.538	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cc(-c2ccccc2)cs1	125788418	UGBHCSYWFFXBSS-AWNIVKPZSA-N	302.362	3.582	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cc(F)cc(OC)c1)c1ccccc1	157347298	NSJKTYTVFAOPLR-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
FC(F)CO[C@@H]1CCCCCC[C@@H]1I	158530208	AOXMWEXSEGGQQI-DTWKUNHWSA-N	318.145	3.795	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2SCCc3sccc32)c1	158881466	FGXQYRQSUGODQR-OAHLLOKOSA-N	318.467	3.839	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(C3CCCCC3)cc2)ncn1	172276456	KPUXRUMVFJXJME-UHFFFAOYSA-N	310.401	3.590	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C[C@H]1CC=CCC1	252627128	RNHTZJWYNHRSRR-HNNXBMFYSA-N	308.381	3.677	50	20	DHGD	
N#CC1=CCN(C(=O)/C=C/c2ccc(SC(F)F)cc2)CC1	273667293	DDHZDVHSCPJZBC-ZZXKWVIFSA-N	320.364	3.697	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc2c(O)nccc2c1	285803403	VAEGGEZNWZRTLH-SWLSCSKDSA-N	313.401	3.600	50	20	DHGD	
COc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	490839065	CAHQVHRBFDOLLB-ATTDUZETSA-N	324.355	3.619	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1sccc1Br	588467510	ONCQEPUJIVZSCA-CLFYSBASSA-N	314.204	3.761	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)CNc1cccc(OC)c1	727254243	RYNDRUXHSSNNQM-AWEZNQCLSA-N	317.433	3.570	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC(c3ccc(C)cc3)C2)cc1	729818234	LUCKHWRJZWQVBV-UHFFFAOYSA-N	321.424	3.765	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CCCCc2ccccc21	729935082	JUMCYMVSPDCINS-UHFFFAOYSA-N	322.408	3.572	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c1C	731158677	GJVGUQIYUFABQE-LZYBPNLTSA-N	305.333	3.822	50	20	DHGD	
O=C(Cc1ccccc1F)NN=C1CCC[C@@H]1c1ccccc1	732532084	CWXBSHFZVUGAKS-MRXNPFEDSA-N	310.372	3.808	50	20	DHGD	
O=C(NN=C1CCCCc2ccc(Cl)cc21)c1ccc[nH]1	735226782	ACPMHLVCWLMGLT-UHFFFAOYSA-N	301.777	3.529	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNC(=O)c1ccc[nH]1	742488309	BTXMISZEMSQTQI-KRWDZBQOSA-N	307.438	3.553	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)Cc2ccncc2)C[C@@H](c2ccccc2)C1	749861181	HWGDHKMUABNCSQ-YJBOKZPZSA-N	321.424	3.700	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1	753655938	IOQJCIKBKQLSEX-JOCQHMNTSA-N	308.397	3.740	50	20	DHGD	
Nc1ccc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)cc1	753921940	MASFHWKFDNQAIL-UHFFFAOYSA-N	313.788	3.586	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCc2ccc(C3CCC3)cc2)c1	756032956	DSHRDAUREUGOSJ-UHFFFAOYSA-N	320.396	3.652	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2coc3cc(F)ccc23)c1	760136993	MEJCPKMSEBLZDZ-UHFFFAOYSA-N	316.307	3.705	50	20	DHGD	
CCC[C@H](C(=O)NNC(=O)c1ccc2ccccc2c1)C(C)C	763552631	AVVUFWOSCDJWQA-KRWDZBQOSA-N	312.413	3.673	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1cc2ccccc2o1	768038789	GXGNJMGSQMDEMN-DHDCSXOGSA-N	319.316	3.789	50	20	DHGD	
C[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(C)(C)C	769858397	HSCGYFXROQUFJQ-OXJKWZBOSA-N	316.283	3.739	50	20	DHGD	
CCCC(=CC(=O)NNc1cccc([N+](=O)[O-])c1C)CCC	770812010	QYJMLPXJNBLTKE-UHFFFAOYSA-N	305.378	3.873	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2c(C)cccc2F)c(C)c1	771692863	MUDQLMRZBFTKKZ-UHFFFAOYSA-N	300.377	3.745	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1c(C)cccc1F	771707178	KDCWUMLOPCUEQW-HIFRSBDPSA-N	308.397	3.563	50	20	DHGD	
CC(C)c1cccc(CNC(=O)NNc2ccc(Cl)nc2)c1	776198336	RYRIOLQMFGUGBZ-UHFFFAOYSA-N	318.808	3.685	50	20	DHGD	
Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)co1	780230185	LYOGBHJWKJRXPT-UHFFFAOYSA-N	306.365	3.940	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C#N)CC)c1C	781144515	HFTXHBRHEDLNSL-RNIVLKNTSA-N	313.401	3.657	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1c(F)cccc1Cl	790757401	CIOOBEHXMWBENZ-MRVPVSSYSA-N	322.858	3.851	50	20	DHGD	
CSSCCNC(=O)C(C)(C)c1cccc(Cl)c1F	791150421	KTJMBZNXVOSMCP-UHFFFAOYSA-N	321.870	3.884	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794964865	JUNGDRDIISQJGC-OQLLNIDSSA-N	303.321	3.630	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCSC(C)(C)C	799574179	HFVDDUOEKWAFBQ-UHFFFAOYSA-N	309.479	3.715	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1ccccc1OC1CC1	807263740	SDKZWOHGZBWUAP-UHFFFAOYSA-N	320.751	3.777	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2CC(c3ccc(F)cc3)C2)c1	815856592	SQGWPNJPVVIFOO-UHFFFAOYSA-N	316.351	3.910	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(C(F)(F)F)c1)C1CCC1	824209360	QHFAELPPDPYTRF-UHFFFAOYSA-N	300.324	3.975	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2cccc(C#N)c2)cc1	839396230	IVASJHIHQOGTBL-UHFFFAOYSA-N	305.381	3.620	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(C)o1	843265734	OQWCCGATJLEUAD-ZROIWOOFSA-N	311.385	3.901	50	20	DHGD	
Cc1ccc(SCCC(=O)N(C)CC(Cl)Cl)cc1	848080486	JWXZSYUEURXMPY-UHFFFAOYSA-N	306.258	3.739	50	20	DHGD	
Cc1nc(C)c([C@H](C)NC[C@@]2(C)C[C@@H]2Br)s1	851927737	DYNSXGITFGBQPE-VIRWGQHYSA-N	303.269	3.584	50	20	DHGD	
O=C(NC[C@@H]1CCCC1(F)F)NNc1cc(F)cc(Cl)c1	854110827	OGTHOKYEYXELDZ-QMMMGPOBSA-N	321.730	3.541	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856094775	UOQRXDGMITVZDP-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CCc1cccc(NC(=O)NC[C@]2(C)C[C@H]2Br)c1	856811931	PJQCGGQEKCGIMY-OCCSQVGLSA-N	311.223	3.544	50	20	DHGD	
C[C@@]1(CNC2CC(c3ccc(F)cc3)C2)C[C@@H]1Br	857064906	GCUUFRUFJADXLL-MOQPVCNJSA-N	312.226	3.835	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2cnc(C3CC3)o2)cc1	863069963	QBAHBONZEXZOAM-UHFFFAOYSA-N	311.385	3.613	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCC(C)(C)c1ccc2ccccc2c1	863502587	ZYZXNFDKVXZCJU-LGMDPLHJSA-N	322.408	3.678	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCc2cnccn2)C1	878707312	RKSHLHNYXXRIFT-MRXNPFEDSA-N	321.541	3.505	50	20	DHGD	
CCCCN([C@@H](C)c1ccc(C)o1)S(=O)(=O)CCCCl	881840042	QYQANZFSJOKDOU-ZDUSSCGKSA-N	321.870	3.710	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2cn(C)c3ccccc23)C1	901160245	WBCNSVQYBKYQGG-ZDUSSCGKSA-N	315.442	3.570	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)Nc1ccccc1C	915971858	OWYWIBFCPXAPSG-UHFFFAOYSA-N	311.385	3.858	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)c3cccc(Cl)c3)c[nH]c2c1	917538431	IXQWJGNBMAAAGL-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
O=C(CC(F)(F)F)NN=Cc1ccccc1-c1ccccc1	917551958	NDCPPOBFADOIKU-UHFFFAOYSA-N	306.287	3.756	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(COc2ccc3ccccc3c2)o1	1118126958	JOQZLZMEMBKGNJ-PTNGSMBKSA-N	321.336	3.703	50	20	DHGD	
CC(C)(C)c1ccc([C@@H](NC(=O)CCl)C(F)(F)F)cc1	1320467009	ZBTTZYRWAOIMBA-GFCCVEGCSA-N	307.743	3.943	50	20	DHGD	
COc1ccc(C(=O)NN=C2C[C@H](c3ccccc3)C2(C)C)cc1	1324057906	MDWRDLGXFOYGMC-QGZVFWFLSA-N	322.408	3.995	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cn2cc(C)c3ccccc32)c1	1334936681	OTFTYZJLVMBZCX-UHFFFAOYSA-N	307.397	3.710	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3ccc(C)c(Cl)c3)cn2c1	1346366414	NZNCQMYGOJZEDB-UHFFFAOYSA-N	313.788	3.966	50	20	DHGD	
C[C@@H](CCc1ccc(O)cc1)NC(=O)C1CCC(Cl)CC1	1349332511	ZEQHJNQVPRFSJQ-GRTSSRMGSA-N	309.837	3.627	50	20	DHGD	
Cc1ccc(C)c(C(=O)CCC(=O)NNc2ccc(F)cc2)c1	42065355	XZKUWHMWCWWQEY-UHFFFAOYSA-N	314.360	3.549	50	20	DHGD	
Cc1cc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)no1	45051454	FGXYEQYRQVXWPF-UHFFFAOYSA-N	320.563	3.700	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/C=C\c1ccccc1	111685972	YMFPFVYSGVWGLM-MDKZIDAVSA-N	304.349	3.797	50	20	DHGD	
Cc1cc(OC(=O)/C=C/c2ccc(Cl)nc2)ccc1[N+](=O)[O-]	120288561	MTIGUOLIHYHOEZ-XVNBXDOJSA-N	318.716	3.570	50	20	DHGD	
Cc1cccc(OCC(=O)NNc2ccc(C(F)(F)F)cc2)c1	153758071	BNOHMFCVKAVZKX-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
O=C(CCc1ccsc1)NNc1ccc(C(F)(F)F)cc1	153823759	OVMTXZBDZIVSGX-UHFFFAOYSA-N	314.332	3.843	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C[C@H](C)c1ccncc1	159392987	ZUMPAJCVGADVEX-NSHDSACASA-N	314.341	3.706	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1Br	160722523	DQBQWNYELQVAKB-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1cccc(F)c1)Nc1ccc([N+](=O)[O-])cc1Cl	163108185	BCHNJUJXVDUVJW-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc2scnc2c1	179816955	CWUSUSLUPBNTIY-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1c(C)cccc1F	184327896	SUQBQMJPKURWTA-NWDGAFQWSA-N	304.390	3.751	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC([C@H]2CCCO2)CC1	189180163	HUCLYGMYRFFFNO-CTUYBLSSSA-N	300.377	3.581	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OCC)c1	212024953	RQCBEDJGBSAEHF-GHXNOFRVSA-N	323.776	3.695	50	20	DHGD	
Cc1nnc(N(C)C(=O)CCCC[C@H]2CCSS2)s1	291890852	OTNNRGAXAJCFSN-JTQLQIEISA-N	317.505	3.523	50	20	DHGD	
CCCCCCOc1ccc(/C=C(/C#N)S(=O)(=O)CC)cc1	588555200	PBESAGREQWSZMR-LGMDPLHJSA-N	321.442	3.945	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)CCCc1ccccc1	727689671	ZALSZFWCFWCOBJ-UHFFFAOYSA-N	324.424	3.867	50	20	DHGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)Cc1cccnc1	728786542	MAVNHHVSZNASRR-MRXNPFEDSA-N	301.434	3.867	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1C	733949764	VRPGBKNSCRWZRH-INIZCTEOSA-N	316.445	3.753	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)NCc1ccc(C)cc1	734305676	ZUJYRBVGWWINFP-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1scnc1C	741766173	RDXZZFXXGKHVGG-UHFFFAOYSA-N	322.821	3.959	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1coc2ccccc12	746557034	LYCZSIHNTVXXNB-UHFFFAOYSA-N	312.756	3.779	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2ccc(C#N)c(Cl)c2)C[C@@H](C)C1	753306480	NTUHGCNBPCHQMH-QWRGUYRKSA-N	305.809	3.727	50	20	DHGD	
CCCOc1ccc(C(=O)NN=CCC(C)(C)C)cc1OC	755566903	TXVLFLRVZYOCBU-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761590589	CFOAMDGKGDAFRY-QWRGUYRKSA-N	316.323	3.855	50	20	DHGD	
O=C(COC/C=C\c1ccccc1)NNc1cccc(Cl)c1	763243879	VGIZVTGZHVYJBR-YVMONPNESA-N	316.788	3.513	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1sccc1Br	764898500	BHSVOKPZLSJJMK-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(Cl)cn1	774386223	VNJNKTPJCNHUFE-UHFFFAOYSA-N	315.804	3.598	50	20	DHGD	
Cc1cnn(CCCCCOC(=O)/C(C#N)=C\c2ccccc2)c1	785350503	ILMWAXZAQPRIEZ-PDGQHHTCSA-N	323.396	3.512	50	20	DHGD	
Cc1nc(CC(C)C)c(NC(=O)NNc2ncccc2C)s1	792331206	XSQSUOJHMCKXFJ-UHFFFAOYSA-N	319.434	3.502	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(CCC(C)C)c1ccc(OC)cc1	794198841	LTMCQBOZTQDENC-SQFISAMPSA-N	316.401	3.518	50	20	DHGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)CC(C)(C)C	797397455	CXHRLTJFBSKQRR-KAMYIIQDSA-N	323.396	3.793	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(O)c(Cl)c1	799755461	ZKQUYVNLTLMZHZ-UHFFFAOYSA-N	304.777	3.673	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNC(=O)Nc1ccc(Cl)cc1	802020175	KUJGUIOUGFURIP-VXGBXAGGSA-N	323.824	3.709	50	20	DHGD	
CCC[C@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccccn1	806866163	MEZVDMJMRRGWQS-JTQLQIEISA-N	323.318	3.526	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cncnc1-c1ccccc1	810682444	DOIDQTCGPZEPFK-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
FC1(F)CCN(Cc2ccc(OCCCCl)cc2)CC1	811499954	WAMPUJJUGKRNOV-UHFFFAOYSA-N	303.780	3.925	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1F)c1ccc([N+](=O)[O-])cn1	812245793	XXCFDMAEVIJNSA-UXBLZVDNSA-N	303.680	3.846	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)c1cccc([N+](=O)[O-])c1	814684587	ZYXXIGUARRSGEG-CQSZACIVSA-N	323.352	3.648	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@H](CC(F)(F)F)C1	817281745	OPJFDEYSZSYGDD-NXEZZACHSA-N	302.178	3.682	50	20	DHGD	
C[C@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)CCl	830264541	RTEPWEJKOIZERH-SSDOTTSWSA-N	316.637	3.512	50	20	DHGD	
C[C@@H](N)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179024	JICUAFOHAGZMQZ-SSDOTTSWSA-N	319.299	3.813	50	20	DHGD	
COc1cc(NC(=O)CCCC[C@H]2CCSS2)ccn1	854511506	PYECVHNZJVGTPM-LBPRGKRZSA-N	312.460	3.743	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@]2(C)CC2(Cl)Cl)cc1F	856231688	IMFRVPGRGLZRNV-GFCCVEGCSA-N	305.180	3.551	50	20	DHGD	
CC(=O)c1ccc(-c2ccc(C(=O)NNc3ccccc3)o2)cc1	868114834	UAWCOCQLLFQKOR-UHFFFAOYSA-N	320.348	3.906	50	20	DHGD	
Cc1ncc([C@@H](C)NC(=O)NNc2c(C)cccc2Cl)s1	876014431	JPAJMICSJOJFDF-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNc2ccc(F)cn2)c1	878450257	LYQBMINOSVWRSN-LLVKDONJSA-N	318.352	3.547	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc2ccccc2c1	916351148	CVVHUIXXFFQMMW-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c1	1323478207	BAZGZEXUTUOCAG-WOJGMQOQSA-N	319.360	3.880	50	20	DHGD	
Cc1cccc(-c2nnc([C@H](Br)C(C)(C)C)o2)n1	1325798718	MERPQPIRRSTAFH-JTQLQIEISA-N	310.195	3.922	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(C(=O)O)o1	1599966590	RUMJXKZSCDKUNO-FLIBITNWSA-N	320.304	3.557	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C3CCCCC3)cc2)n1	11334179	KLMUSEUOUUYMLA-UHFFFAOYSA-N	324.428	3.898	50	20	DHGD	
N#C/C(=C/c1ccccc1F)S(=O)(=O)c1ccc(Cl)cc1	33686801	YWYVYMGZYMUQGO-ZROIWOOFSA-N	321.760	3.817	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)NCc1ccccc1	67005865	AKKXWBMJDOABOS-ZSOIEALJSA-N	314.747	3.702	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2ccc(OC(F)F)cc2)c1	120508373	FMMLRRNSXKELBN-UHFFFAOYSA-N	320.339	3.591	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(F)c(F)cc2Cl)c1	127653993	UUSNEENZCSZGRY-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
O=C(Cc1ccsc1)NNc1c(Cl)cccc1Cl	132988206	USHVCTWIQSGRQA-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)cc1	154288947	HIOHPZLFJPYCIX-MHWRWJLKSA-N	305.333	3.556	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNc1ccncc1Cl	154619305	WRWVFCNMNJXRTE-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C	158747411	WMBJVBHHXWQRMO-TXQCQQFXSA-N	300.402	3.506	50	20	DHGD	
CC(C)(C(=O)NNc1ccncc1Cl)c1cccc(Cl)c1	158999401	QLRNYQJHEFLTFE-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C)c2ccccc2n1	160994238	SFYQOVOEBFRPMP-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccc(C#N)cc1	163746179	IMVAPKAMZWZEEN-UHFFFAOYSA-N	308.385	3.527	50	20	DHGD	
CN(Cc1ccccc1F)C(=O)/C(C#N)=C\c1ccc(F)cc1	181729487	UTCMQJJNVKJPGI-GDNBJRDFSA-N	312.319	3.530	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCCc2cccnc21	192814646	HFIIUFPCHGZJDF-KRWDZBQOSA-N	321.424	3.524	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1OCC	211695215	PWYVUCIUUNLQNY-DHDCSXOGSA-N	324.405	3.926	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1ccc(O)cc1	254760036	PNAOAWLPWZRVCK-UHFFFAOYSA-N	316.360	3.823	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1CCC(C(F)(F)F)CC1	278439777	PEJWOAKESCDSNI-UHFFFAOYSA-N	318.314	3.946	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	302907849	FIIXMUBTHGBVRN-FOWTUZBSSA-N	306.365	3.912	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CSc2ccccc21	490977154	SJJDWZPCBQBGHZ-OVHOFWQVSA-N	324.380	3.696	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C\c1ccc2[nH]ccc2c1	492317520	KCBQRPYWVJCEJK-CLTKARDFSA-N	309.344	3.772	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	588386647	RHMJUXUMAXVYCP-UVTDQMKNSA-N	324.336	3.985	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CSCc2ccccc21	727688893	IMIWZXJMEFHZAO-UHFFFAOYSA-N	324.449	3.777	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc4c(c3)OCCO4)[nH]c12	735616800	JLDBBDHHLLQFEZ-ZROIWOOFSA-N	317.348	3.707	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(C)cc1Cl)[C@H]1CCOC1	741844938	REXFOCNDDOTVOV-NSHDSACASA-N	309.797	3.572	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1ccc(Cl)nc1	743818812	NTHMKWQEKLTXHI-NSHDSACASA-N	321.833	3.500	50	20	DHGD	
O=C(CCCn1ccnc1)NN(c1ccccc1)c1ccccc1	748603053	JICHGQDSONKARR-UHFFFAOYSA-N	320.396	3.533	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)[C@H](CC2CCCCC2)C(C)C)o1	752779498	LPYZJBQEAVKWGM-OAHLLOKOSA-N	320.433	3.592	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc(-c2ccccc2)nn1	754470834	SBNUQSKPXNSIFC-AWEZNQCLSA-N	324.428	3.803	50	20	DHGD	
C=CCCC(C)=NNC(=O)c1cc(F)ccc1Br	758110861	YXHZKMLGADDMPU-UHFFFAOYSA-N	313.170	3.660	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1csc(C(C)(C)C)n1	770358005	ACHXHQDEVGFIJV-QMMMGPOBSA-N	320.252	3.628	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1F	772172553	TYEFBJPHHIPPEE-RIYZIHGNSA-N	312.319	3.821	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	775377741	POATUSLFKIDTFE-UHFFFAOYSA-N	306.369	3.946	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2ccc(F)c(F)c2F)C[C@H](C)C1	780468233	JSAREYFXQYHJPH-RKDXNWHRSA-N	300.324	3.619	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1[N+](=O)[O-]	785350404	HSDUVAXXXPUTEJ-WDGDVPDHSA-N	322.320	3.806	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(F)cc1OC	799384258	INWISWHLINOWJQ-UHFFFAOYSA-N	317.364	3.854	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc2ccccn2n1	804378533	VGZUFSYTQCVYLV-ZDUSSCGKSA-N	321.471	3.987	50	20	DHGD	
Cc1coc(C)c1C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	808743171	UUFIGGUKXXDXJB-UHFFFAOYSA-N	312.281	3.572	50	20	DHGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)c1ccc(Cl)cc1F	811643283	ADLINQIYMUMRQN-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)c1ccccn1	813030607	NJPFPURPBQTIEU-CQSZACIVSA-N	312.417	3.901	50	20	DHGD	
COC[C@H](C)[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	813051370	MDQOVZOKXKVNOA-RYUDHWBXSA-N	317.341	3.572	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cnn(CC(F)F)c2)s1	814183517	VWRQQPRCOKDJFX-NYYWCZLTSA-N	322.384	3.966	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1ccc(Cl)c(C(F)(F)F)c1	814986570	JJIFIMWLQYIGDO-UHFFFAOYSA-N	318.726	3.999	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C(F)F)cc2)cc1	817900138	WIEQLYQNXPEXNB-UHFFFAOYSA-N	306.312	3.780	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(F)cc(Cl)c2)cc1	817921373	UKYHLHBZOWTTFX-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cc(C(F)(F)F)ccc1=O	821046997	FOPJTBUSIADHEZ-UHFFFAOYSA-N	321.415	3.889	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1CC(c2ccc(F)cc2)C1	826787685	OJUDUQXSIVUCJT-UHFFFAOYSA-N	319.767	3.511	50	20	DHGD	
C=CCC1(CNC(=O)c2c(C)nn(CCCl)c2C)CCCC1	836990455	GNGXJDHRFWGTEU-UHFFFAOYSA-N	323.868	3.605	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCOc3ccccc32)cc1	837055840	NFTZHRVBNYZVDN-QGZVFWFLSA-N	310.397	3.819	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C/C2CCCC2)c(C(F)(F)F)c1	843877632	JFPPXALLYJITQI-SOFGYWHQSA-N	323.318	3.767	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc2cc(Br)ccc2o1	853291311	GGCRRAXJUFQDIM-SECBINFHSA-N	323.190	3.692	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H](OC(C)C)c1ccccc1	855370313	UWAKTNDHLAQXPX-KRWDZBQOSA-N	316.376	3.744	50	20	DHGD	
C=CCN(CCc1ccco1)C[C@H](CBr)C1CC1	859239586	GRMVHWSJMWLCKJ-AWEZNQCLSA-N	312.251	3.731	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)CCCC1CCOCC1	885127470	SXQQFXJYUDTKIJ-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	885127565	USXXTWQYFXTIGR-XJKSGUPXSA-N	324.852	3.933	50	20	DHGD	
CC(C)C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	915912516	PZTAZPOTVMLPCZ-GOSISDBHSA-N	322.412	3.972	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1)c1nc(N)c2ccccc2n1	1253411876	RGBVNDCQVGNWFC-KHCPYNEOSA-N	316.339	3.971	50	20	DHGD	
COc1ccc([C@H](NC(=O)CCl)c2ccccc2Cl)cc1	1323269463	LXQAGQYAHUSJRK-INIZCTEOSA-N	324.207	3.793	50	20	DHGD	
O=C(CSCc1cccs1)NNc1ccccc1Cl	1340929034	MGJMPVRPNGPWFP-UHFFFAOYSA-N	312.847	3.778	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNc1ccccc1C(=O)O	1595667012	XFCYKBRDRZIEFG-KRWDZBQOSA-N	306.406	3.825	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)c(F)c1	7750785	AYCFNIHHRNVQHE-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
CCCOc1ccccc1NC(=O)NNc1ncccc1Cl	91991035	KOENHJGZRDNWOH-UHFFFAOYSA-N	320.780	3.672	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CCN3C)cc1	129701738	BNDCVCAJLSSRIC-ATVHPVEESA-N	317.392	3.533	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCC1	131810535	XVJQGFLTKHWYCE-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NNc2cccc(F)c2)cc1	155065279	HMLUHRHYFFCZNG-UHFFFAOYSA-N	315.392	3.819	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C#N)cc1)c1cccc(Cl)c1	155745825	IBJISIMVJJFJMX-UHFFFAOYSA-N	313.788	3.633	50	20	DHGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NNc1ccccc1	161584593	IJYHABPRYDUNGJ-GFCCVEGCSA-N	304.390	3.697	50	20	DHGD	
CN(NC(=O)c1scnc1C1CCCC1)c1ccccc1	274255799	UJPUXKDNSKHFFZ-UHFFFAOYSA-N	301.415	3.582	50	20	DHGD	
CSSCCNC(=O)Nc1cc(SC)ccc1C	284756549	JVTMRZQTNWUPOY-UHFFFAOYSA-N	302.490	3.850	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	490725082	DLKBELBOVRBKMO-LCYFTJDESA-N	312.394	3.919	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	490726255	OYBJOZHVJJBSOU-RVDMUPIBSA-N	309.369	3.555	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1	726429038	CMEPQMKZQREDDW-PQTFEYQYSA-N	307.777	3.879	50	20	DHGD	
CSc1ccc(C=NNC(=O)Cn2ccc3ccccc32)cc1	729638636	VVPHNDNCRIKINR-UHFFFAOYSA-N	323.421	3.514	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)OCc2ccccc2)c(C)c1	743762930	PMUVCRCEDMMNQH-INIZCTEOSA-N	312.413	3.660	50	20	DHGD	
CO[C@@H]1C[C@H](NC(=O)CCCC[C@@H]2CCSS2)C1(C)C	753311517	DVBWBTYKGKHZCG-FRRDWIJNSA-N	317.520	3.630	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cccc([C@@H]2CCOC2)c1	762273070	CVPDERGKHWEIEO-CQSZACIVSA-N	316.788	3.601	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C=C2CCCCC2)c1C	762796231	NTXBFECIMSSOPQ-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
COc1ccc(C=NNC(=O)c2cccc3ccccc23)s1	763171375	HZBHKIBGMHPDQK-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
C[C@@H](C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)CCC#N	765994748	KFEWKYYSRPUFBH-HUUCEWRRSA-N	323.396	3.649	50	20	DHGD	
Cc1ccc(C=NNC(=O)OC(C)(C)C)cc1Br	767893844	TXVSVDBXCFXIBB-UHFFFAOYSA-N	313.195	3.616	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1cc(O)cs1	768544199	QQLMFXITYPSVIP-UHFFFAOYSA-N	321.160	3.657	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H](F)c1ccccc1	769294897	SCQIVINTVIXCDL-HNNXBMFYSA-N	303.289	3.828	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCSc1ccccc1F	771697457	ADZWXGFSIMVKFF-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2ncccc2C(F)(F)F)C[C@H](C)C1	780539754	NRWFUSFFPKDHTI-NXEZZACHSA-N	315.339	3.616	50	20	DHGD	
CC[C@@H](OC(=O)/C(C#N)=C/C1CC1)C(=O)c1ccc(Cl)cc1	786678872	HMZBDLHTSHGAIG-BMQCOBNYSA-N	317.772	3.704	50	20	DHGD	
O=C(NN=C1CCCc2ccc(O)cc21)c1cc2ccccc2o1	794520992	XOXYEJJZMLXNHE-UHFFFAOYSA-N	320.348	3.609	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)[C@H]3CCCOC3)co2)cc1	794955028	YJFLLZKDDVHTIK-HVVQPJKBSA-N	322.364	3.553	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(F)ccc1Cl	814511289	QCADFDJTGMKEFR-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](C)CC(C)(C)C)c1F	837058672	VWSYPQIHXLCQRQ-LLVKDONJSA-N	324.396	3.518	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@H](C)c2ccncc2)cc1	838507969	UCOJEKTXYASRSA-AWEZNQCLSA-N	312.417	3.635	50	20	DHGD	
CC(C)CCCCC(=O)NNc1ncccc1C(F)(F)F	839688437	RNMRMGPJCSMOOI-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCC1(C#N)CCCCC1	840260343	XVHGUVRSYGMZEA-VBKFSLOCSA-N	324.380	3.707	50	20	DHGD	
CC[C@H](COC(=O)/C(C#N)=C/c1cccc(OC)c1)CC(F)F	845768874	NSEKJOOPWXRITJ-FUEWVNAISA-N	323.339	3.827	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cnc3n2[C@@H](C)CCC3)cc1	846250288	XQRGGTIOVVBOQB-ZDUSSCGKSA-N	312.417	3.661	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1cc(F)ccc1F	851894849	BNTLMALJPIOXPO-HJIKLVIJSA-N	304.178	3.789	50	20	DHGD	
CCC(CC)N(C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CC1	856954634	IGGAHAXZSQCTOH-GXTWGEPZSA-N	317.271	3.523	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H]1C[C@H]1c1cccc(C)c1	860338776	UMXMTFIWFNINKH-UONOGXRCSA-N	309.203	3.593	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(OC)cc(F)cc1OC	865224677	VFGOGSIKXVPXIA-YRNVUSSQSA-N	305.349	3.755	50	20	DHGD	
C[C@H](NC(=O)[C@]1(C)C[C@@H]1Br)c1cc2ccccc2o1	907644088	KWHSBFMJWFXZHH-DYQSUWPFSA-N	322.202	3.784	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(Cl)c1	915843748	XBDDUYMRLSMFCG-NYLOLIOWSA-N	302.805	3.942	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)CC(C)(C)C)O[C@@H](C)C2	918714468	XLMZIHFDCGTSME-QNKXHIPISA-N	313.397	3.931	50	20	DHGD	
CCCCNC(=O)NN=Cc1sc2ccccc2c1Cl	920751221	SPKKEXPQMDJYFY-UHFFFAOYSA-N	309.822	3.988	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2cc(C)nc3ccccc23)c1	921254006	VJDLOEZNIWKJEQ-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
O=C(NC[C@@H]1CCC2(CCCC2)O1)c1cccc(CCl)c1	1120752920	ACLDXMNCYLPUBC-HNNXBMFYSA-N	307.821	3.647	50	20	DHGD	
N#C/C(=C\c1cc(F)ccc1F)c1nc(N)c2ccccc2n1	1317867936	IOJDWZOKNFAHSU-YRNVUSSQSA-N	308.291	3.554	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnn(C2CCCCC2)c1	1324280342	HQZXEKNDORVCQV-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
Cc1ccc([C@H](O)[C@@H](C)NC(=O)c2cccc(CCl)c2)cc1	1335955157	CIUVPMPOUSSOEN-CXAGYDPISA-N	317.816	3.586	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNc1cccc(C(=O)O)c1C	1603707166	ZGMPSBZUROCRKX-CYBMUJFWSA-N	318.417	3.909	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1C	11286794	ALDNABINGSMELH-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)c1ccsc1	120405075	CYSUNBCIXOUOBF-GFCCVEGCSA-N	300.427	3.874	50	20	DHGD	
CC(C)(C(=O)NNc1nc(C(F)(F)F)cs1)C1CCCC1	125906990	QAUCCKAECKOGMK-UHFFFAOYSA-N	321.368	3.821	50	20	DHGD	
CCOCCC1(C(=O)NNc2cccc(Cl)c2)CCCC1	127289006	SHSKUVJMGPWZAJ-UHFFFAOYSA-N	310.825	3.770	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc2[nH]ccc12	132431198	XWKUXQGEUAPUSL-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCc1c(C(=O)NNc2ccc(Cl)cc2)cnn1CC(C)C	133982523	GBGQXLVEQQRARD-UHFFFAOYSA-N	320.824	3.512	50	20	DHGD	
CC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCCCC1	158158258	DCKKGQOTQQGYIA-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3cc(F)c(F)cc3F)[nH]c2c1	172087420	UWKQBOTYYPXLDO-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	172127802	SLCATQVVJXQSFJ-PKNBQFBNSA-N	316.307	3.658	50	20	DHGD	
O=C(/C=C/Sc1ccccc1)NNc1ccc2ccccc2n1	181123367	IUEHLAQFQRIWPV-OUKQBFOZSA-N	321.405	3.984	50	20	DHGD	
C[C@@H](Br)c1nc2sc(C(C)(C)C)cc2c(=O)[nH]1	184761215	HTQQMVYWUPSCLU-ZCFIWIBFSA-N	315.236	3.738	50	20	DHGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1C	184838545	QRCMVKGWHBUPGN-XDHOZWIPSA-N	322.408	3.850	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cnn(Cc3ccc(F)cc3)c2)n1	186969055	SYNPRBGVDWADDX-GIDUJCDVSA-N	324.384	3.900	50	20	DHGD	
CC(C)(C)[C@H]1CCCC[C@H]1NS(=O)(=O)CCCCCl	228328814	IKQALHNWDPVSBI-QWHCGFSZSA-N	309.903	3.530	50	20	DHGD	
Cc1ccsc1C=NNC(=O)Cc1cccc2ccccc12	254758136	DDBPIORFPCHGEV-UHFFFAOYSA-N	308.406	3.903	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1F	303489506	VSNOTIPLBNMLCC-RVDMUPIBSA-N	300.377	3.832	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	746742880	OSUIOCJMFIVDLB-SNVBAGLBSA-N	307.756	3.866	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)c1cc2ccccc2o1)CC(C)(C)C	749476477	LYPPBMUVFBGMPZ-GFCCVEGCSA-N	316.401	3.656	50	20	DHGD	
Cc1cccc([C@@H](C)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	752452159	QCUUWVLSYYNXCV-LZNAANCOSA-N	322.383	3.961	50	20	DHGD	
CCc1nc(C=NNC(=O)Cc2ccc3ccccc3c2)cs1	755655939	GHUPBKSNDWBPTQ-UHFFFAOYSA-N	323.421	3.552	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)O1	757420992	ABBQNLYTEGOMED-MEDUHNTESA-N	315.325	3.611	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(Br)cc2)CCC1	759195695	HGUFVDNQRFVCOZ-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
CCC(CC)(CC)C(=O)NNC(=S)Nc1cccc(C)c1C	761035227	WTYZETOUALVDOM-UHFFFAOYSA-N	321.490	3.837	50	20	DHGD	
N#CC1=CCN(C(=O)CC(c2ccccc2)c2ccccc2)CC1	767158651	YNHZUQHQJGZNNL-UHFFFAOYSA-N	316.404	3.891	50	20	DHGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNc1cccc(F)c1	768093270	IPSWMGVNVXFSNB-ZDUSSCGKSA-N	324.355	3.890	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccsc1	773103149	LLHQXMAWUYWLNG-NSHDSACASA-N	322.817	3.709	50	20	DHGD	
C=CCCC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC)cc1	776015563	IZVPBFBMWBXZDD-XOAFGZPJSA-N	312.413	3.853	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)/C=C\c1scnc1C	776757382	NDLXIZHCDCWAHL-PLNGDYQASA-N	318.354	3.595	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1CCCCS1	783591214	XUSAMQKEXKFYBW-NSHDSACASA-N	305.230	3.722	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)s1	786044867	UAQZGJGJFFSYFP-JYRVWZFOSA-N	316.813	3.933	50	20	DHGD	
COc1cc(NNC(=O)c2cccc3cc[nH]c23)ccc1Cl	790186227	GQJCNLCMNBDWHT-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
C[C@H](C(=O)NNc1cc(Cl)cc(Cl)c1)C(F)(F)F	791726535	IENYMTKZUXQDTD-RXMQYKEDSA-N	301.095	3.635	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=C[C@H]1CCCSC1	794889120	UJOBPXSBZBPPLG-CQSZACIVSA-N	312.438	3.628	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)OC)ccc1Cl	794934379	JPLXYGLLVKZVQM-SEEODLKFSA-N	305.761	3.649	50	20	DHGD	
CCCN(N=Cc1cc(C)c(C)cc1O)C(=O)OC(C)(C)C	794995077	FFRCJCWJZMTEKB-UHFFFAOYSA-N	306.406	3.990	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCCSC1	810464796	IZJMZOFTBYAVFE-QMMMGPOBSA-N	305.230	3.580	50	20	DHGD	
Fc1cccc(CNCc2ccc(OCCCCl)cc2)n1	811485110	WYJVCASWBSHMMB-UHFFFAOYSA-N	308.784	3.518	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CC[C@@H]3C3CC3)cc2C1	814760050	YNRURDPDZDXYMY-GXFFZTMASA-N	302.443	3.779	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=CCC(F)(F)F	817323438	CCRWIONPSMDFHJ-LLVKDONJSA-N	324.302	3.662	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCC[C@@H]1c1ccccc1	825745994	BEUVIRVXWNFLMO-HUUCEWRRSA-N	316.351	3.992	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(C(C)C)cc2)CCO1	837052686	JHVJEIGQJTUDEM-WMLDXEAASA-N	304.434	3.848	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccnc2OC(C)C)c(Cl)c1	839786360	XIVSUSPEQFOABB-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CCc1nsc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897269	BTZAHZAFVCOHLT-LLVKDONJSA-N	313.543	3.701	50	20	DHGD	
CC(=O)c1cc([N+](=O)[O-])ccc1OC(=O)OCC1CCCCC1	859083108	JTYGWKLTBKLJLI-UHFFFAOYSA-N	321.329	3.893	50	20	DHGD	
CCc1cc(SC#N)cc(C)c1NC(=O)C[C@@H](C)CC(=O)O	872832568	FRNOAOCUMYXWIJ-SNVBAGLBSA-N	320.414	3.570	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)CCCF)C1	891549343	JUEDPDOTUAUKBK-CYBMUJFWSA-N	303.494	3.749	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccc(C)o1	916336581	JLYPZKFSDUADEL-HNNXBMFYSA-N	314.385	3.513	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)c(C)n1C1CC1	24100269	IUUBKDFIUYBHJC-LFIBNONCSA-N	311.429	3.796	50	20	DHGD	
CCN(c1ccccc1)S(=O)(=O)c1ccc(CCl)cc1	49921753	BDSTXUJLILODJN-UHFFFAOYSA-N	309.818	3.641	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	78268091	RYKCRYQHGFVOKK-YFHOEESVSA-N	315.341	3.986	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1(c2ccc(Cl)cc2)CC1	85683818	BWCHXPGBJFYBJZ-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
CC(C)N(C)c1cccc(NC(=O)NNc2ccc(F)cc2)c1	92761200	ROSQUIQKYNVROJ-UHFFFAOYSA-N	316.380	3.819	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ccc(OC(F)F)cc2)CC1	122974042	YSFUBOBGRDBMJG-UHFFFAOYSA-N	312.360	3.948	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccnc2SC(F)F)c1	127477589	IEZVPUHZFWCFTG-UHFFFAOYSA-N	323.368	3.770	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(-c3ccccc3)s2)nc(C)n1	172376189	QXCHOQJFBOFJBT-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
COC(=O)N(C)N=C/C(C)=C\c1ccccc1C(F)(F)F	495678139	WBVSTROKSIAKKE-GNAHVBDCSA-N	300.280	3.793	50	20	DHGD	
CC(C)[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	588607124	CYZGKXUWFCZSAO-WLSWZUKCSA-N	312.413	3.584	50	20	DHGD	
COc1ccccc1C(=O)NN=C(CC(C)C)c1cccs1	731488030	PHKMRNJJBCHKLH-UHFFFAOYSA-N	316.426	3.937	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc(Br)nc1	732834371	IORGECQEZAMXKI-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
CC(C)CC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)C(C)(C)C	734544299	QPPXSMMFZKGADQ-CYBMUJFWSA-N	313.486	3.604	50	20	DHGD	
O=C(NCc1coc2ccccc12)NNc1c(F)cccc1F	735758626	MUPMNSKKYAWVEZ-UHFFFAOYSA-N	317.295	3.537	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(C)cc(C)cc1C)c1ccncc1	745836193	MTWAGAYKZMEOOE-INIZCTEOSA-N	312.417	3.784	50	20	DHGD	
Cc1cc(C)c(C)c(OCCC(=O)NNc2ccccc2F)c1	748058902	AFTXFULRJHXSLQ-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2Cl)cnc2ccccc12	748317103	CSQGHCHJABCPNO-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C)sc1C	751168399	KGUQJPLDWLPRRA-UHFFFAOYSA-N	307.327	3.501	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)C1CCCC1	761584339	DTPIRKUONPFZQG-SNVBAGLBSA-N	316.323	3.855	50	20	DHGD	
CCC[C@@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	768448342	HHFORDKNMBREDK-VXGBXAGGSA-N	304.272	3.977	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)OC[C@@H](C)CBr	770304122	JSJZVTJFRABOCQ-QMMMGPOBSA-N	321.598	3.536	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)OC[C@@H](C)CBr	770358013	IRIDGOHOYHZEOS-QMMMGPOBSA-N	321.598	3.536	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@H](C#N)C2CCCCC2)cc1	776360483	ALPPKIRHKXCGFW-MUMAZLPKSA-N	324.380	3.618	50	20	DHGD	
C[C@@H]1CC[C@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	780782124	HOHXRDVTKVVXIH-ZJUUUORDSA-N	301.312	3.520	50	20	DHGD	
CC(C)[C@@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	781795997	ZRMDPIJOFHDNKP-VXGBXAGGSA-N	304.272	3.691	50	20	DHGD	
CCCCc1ccc(NC(=O)NNc2ccc(OC)cn2)cc1	782007167	WZCWDCMEMSETMN-UHFFFAOYSA-N	314.389	3.581	50	20	DHGD	
ClCCCOc1ccc(CNCCCc2nccs2)cc1	811486116	DQNFVIZKCVTPOC-UHFFFAOYSA-N	324.877	3.873	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@@H](C)C2)cc1OC	814754229	FPSCNAWTZBQZLF-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(F)cc1F	814808619	CYJPNDLIVBWVSZ-UHFFFAOYSA-N	323.730	3.557	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@H](c2ccccc2)C1	814843783	OKWNTAWNMPWODX-HNNXBMFYSA-N	308.381	3.749	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1CCC[C@H](C)C1	816486906	XBFHCZFSSXWFAV-RYUDHWBXSA-N	324.856	3.913	50	20	DHGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747859	XZTOGGFCWAMFBZ-TVQRCGJNSA-N	302.205	3.514	50	20	DHGD	
CC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCC(=O)CC1	831014645	CWPJLEJTNVMZQO-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc2cc(Cl)cnc2o1	834405786	XPQWDZYMGFUGHX-YRNVUSSQSA-N	304.733	3.731	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2ccc(Br)cc2)CC1	836780335	ZZBIYWBGUFVZBY-SNVBAGLBSA-N	309.207	3.639	50	20	DHGD	
Cc1ccc(NNC(=O)c2cncc(OC(C)C)c2)c(Cl)c1	836937817	NUQUBSATJJPTKB-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3c(c2)CC(C)(C)O3)c1	843831633	WCCWXRMCHDOPKV-UHFFFAOYSA-N	310.397	3.774	50	20	DHGD	
O=C(CCC1CCCCCC1)NNC(=O)Nc1ccccc1	848044735	NSHZYKALBHQPHM-UHFFFAOYSA-N	303.406	3.590	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1)OCC(F)(F)F	853427782	QMMSPSUKVVJKCQ-HTQZYQBOSA-N	320.233	3.629	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)C1(c2ccccc2)CCCC1	855468822	IYZIXWBFVZEEHG-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
CC(C)(C)[C@@H]1C[C@H](NC[C@@]2(C)C[C@H]2Br)CS1	857063037	HFPPQCPDVQWAPA-SRRSOLGSSA-N	306.313	3.670	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2ccc(Cl)nc2)cc1C	857141402	JYFFFRQAMOTGAB-LSDHHAIUSA-N	315.804	3.599	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cccc(OCc2ccccc2)c1	864730984	UVLOOWWGNASYMM-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
C#CCC(C)(C)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583737	ZISUSXXDOVSOKX-AWEZNQCLSA-N	309.526	3.659	50	20	DHGD	
Cc1cc([C@@H]2CCCN2C(=O)c2cccc(CCl)c2)no1	1338672878	FZHOBACWOMIVOS-HNNXBMFYSA-N	304.777	3.699	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(Cl)c1OC	6279701	TVRGIWVBEUFDOH-WUXMJOGZSA-N	323.776	3.606	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)cc(OC)c1OC	60422261	VKOZHMDXOZTBDU-NTUHNPAUSA-N	317.385	3.625	50	20	DHGD	
N#C/C(=C\c1csnn1)c1nc(-c2ccc(C#N)cc2)cs1	63279182	HMVKQHFNOQNGBH-LFYBBSHMSA-N	321.390	3.597	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cnn(-c3ccc(F)cc3)c2)n1	76924905	SPGOOTJCFGOTNM-MLPAPPSSSA-N	310.357	3.841	50	20	DHGD	
BrCCCc1ccc(I)cc1	83851527	SINNTMVHQZXKFR-UHFFFAOYSA-N	324.987	3.619	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ccc(F)c(F)c2F)cc1	103274465	REIRZTHTBAWLNC-JTQLQIEISA-N	322.330	3.913	50	20	DHGD	
CSC[C@@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	126352386	GYHSXXMGXSUMPD-ZCFIWIBFSA-N	311.209	3.575	50	20	DHGD	
CC(C)(C)N1CCC(=NNC(=O)c2ccc3ccccc3c2)CC1	139981262	DMXPHYYVXBLAGK-UHFFFAOYSA-N	323.440	3.820	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1ccccc1F	153319391	AABSMPTWCONSBJ-LBPRGKRZSA-N	304.390	3.591	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H](C)OC	175627213	QWPCWPVCFGCIHL-LLVKDONJSA-N	306.431	3.748	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)c3nc4ccccc4n3C)n2c1	178766166	AYBPQHWMRXMCHD-NTEUORMPSA-N	313.364	3.594	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1	194538680	OMDTYSFPTSFHBG-GIDUJCDVSA-N	313.303	3.901	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	194783898	ADOINJPTTGQHTH-GDNBJRDFSA-N	320.348	3.531	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(C)cccc1C	255625909	WNQCQOZVXLRGAF-PTNGSMBKSA-N	306.365	3.858	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1	255641678	YAWFLPMNCNVGJM-QINSGFPZSA-N	316.320	3.845	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1F	727654649	PQEXJRMKSRXAND-GXDHUFHOSA-N	320.371	3.843	50	20	DHGD	
CSC[C@@H](C)C(=O)NN(c1ccccc1)c1ccccc1	731322866	SEZAFINWJGHBOE-CQSZACIVSA-N	300.427	3.855	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1sccc1C	733745170	CWIJPEIQQSDZQE-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2ccc(O)c(Cl)c2)c(C)c1	734093530	KYCQQGXBKOFPOH-UHFFFAOYSA-N	316.788	3.735	50	20	DHGD	
CC(C)CC[C@H](NC(=O)NNC(=O)CC(C)(C)C)C(C)(C)C	734544301	QPPXSMMFZKGADQ-ZDUSSCGKSA-N	313.486	3.604	50	20	DHGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1ccsc1	738541251	QWGCHZYKZFJWRW-VIFPVBQESA-N	303.412	3.605	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ncccc2C(F)(F)F)cc1	740098136	VCZWCNQFVPFYGJ-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=CC1CCCCCC1	741838886	XGOQAFZQUMRLAA-INIZCTEOSA-N	307.482	3.571	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(C)c(C)cc1OC(F)F	742346618	OOZHWXAPDAXFAT-ZROIWOOFSA-N	322.355	3.728	50	20	DHGD	
CCC[C@H](C)CC(=O)NNC(=S)Nc1c(C)cccc1CC	748855320	LPNYLYGJTZEXRS-LBPRGKRZSA-N	321.490	3.701	50	20	DHGD	
N#C/C(=C\c1ccccc1OCc1cccnc1)c1ccncn1	758917034	UKCKRXVVLLUQJB-LICLKQGHSA-N	314.348	3.515	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ccc(Cl)c(F)c2)n1	762543386	AMEQHFZDBKQEPX-UHFFFAOYSA-N	307.756	3.754	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1cc(Cl)c(Cl)cc1O	766011879	SMYQMORCOQMCMF-UHFFFAOYSA-N	303.189	3.585	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1ncnc2ccsc12	766677070	WTCIQPQPDNDHMJ-LLVKDONJSA-N	306.435	3.741	50	20	DHGD	
CC[C@@H](C)[C@H](NC(=O)NNc1cccc(Cl)c1)C(F)(F)F	772528242	ZFLQBOFFQQNXMP-KCJUWKMLSA-N	323.746	3.943	50	20	DHGD	
CC[C@H](CSC)NC(=O)NNc1ccc(Cl)cc1Cl	775458529	KZHCKDUIRFWWMA-SECBINFHSA-N	322.261	3.761	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2cccc(C#N)c2)s1	779008599	TYRXFLDVHQNTOV-UHFFFAOYSA-N	322.393	3.680	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(Br)cc1C	780660293	YEQCLINFWDSXHD-MWLCHTKSSA-N	313.239	3.883	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CCCCS1	783504331	JPOSIIMFUJWFDM-HNNXBMFYSA-N	317.366	3.939	50	20	DHGD	
Cc1ccccc1CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1	785023180	BUXGSUNARGSUTR-BOPFTXTBSA-N	308.356	3.700	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(Br)c(Cl)s1	790157769	PLWLWBRABYYEBC-LURJTMIESA-N	323.643	3.660	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)Oc1ccc(F)cc1	799758331	GQUNETRNJAEHPS-CYBMUJFWSA-N	316.376	3.607	50	20	DHGD	
C[C@@H]1CC[C@H](C=NNC(=O)c2ccc(Br)s2)C1	800808080	FHYSUCVZKUYFDJ-BDAKNGLRSA-N	315.236	3.662	50	20	DHGD	
CC(C)(C)c1ccccc1NC(=O)NNc1ncccc1F	806114715	UPTAWSZZQUXBMA-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cn(C)nc2C(F)F)ccc1[N+](=O)[O-]	812243363	KFDYWQHJXUYXOM-WDZFZDKYSA-N	318.283	3.639	50	20	DHGD	
Cc1ccoc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	813843804	GMWZMECLHFCTIT-UHFFFAOYSA-N	301.390	3.712	50	20	DHGD	
C/C(C=NNC(=O)Nc1ccc2c(c1)OCO2)=C/c1ccccc1	814992494	KSUGFOWDUQFLBR-TZVOEULESA-N	323.352	3.626	50	20	DHGD	
C=CCC(C)(C)C(=O)NNC(=S)Nc1ccccc1C(C)C	816531212	JTFDZCSGLNDBDU-UHFFFAOYSA-N	319.474	3.730	50	20	DHGD	
CC[C@H](c1ccccc1)N(CC(C)C)S(=O)(=O)CCl	830467890	SWOUOVRGVXNVNL-CQSZACIVSA-N	303.855	3.622	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H]1[C@H]2CCO[C@H]2C12CCC2	831377256	VZZVLDNMRVVABS-RBSFLKMASA-N	311.542	3.555	50	20	DHGD	
CC(C)(C(=O)O)[C@@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	833416438	ZXVIVKZEWZJNDR-SLVCOGOPSA-N	316.376	3.513	50	20	DHGD	
N#CC1=CCN(C(=O)CCCc2ccc3c(c2)CCCC3)CC1	845904224	OCSMLTQRNMSWGS-UHFFFAOYSA-N	308.425	3.570	50	20	DHGD	
CC[C@](C)(C#N)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377402	SNIQFHWYUFNDEO-GFCCVEGCSA-N	319.714	3.742	50	20	DHGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=CCC(C)C	863966469	BACNTXIHCHURBE-ZDUSSCGKSA-N	310.825	3.872	50	20	DHGD	
Cc1csc(CCCC(=O)NNc2cc(Cl)ccc2C)n1	885126804	GYAKIFOBRJHTFP-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1	916201790	BAEYFPURCKNECQ-MRXNPFEDSA-N	319.355	3.988	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccsc1	916345878	GPJZVPBRSNPCGF-UHFFFAOYSA-N	308.403	3.520	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccc(C)cc2O)cc1	917555902	IEFIRDQZERNAHB-UHFFFAOYSA-N	314.410	3.577	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)s1	918109027	XNSAINZYWBWRDS-UHFFFAOYSA-N	324.405	3.539	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1c[nH]c2cc(Cl)ccc12	918711458	NPONFGWXLHFBQO-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
C[C@H](Sc1ccc(F)cc1)C(=O)N(C)CC(Cl)Cl	936001369	ZMVILJDKMBYBRD-QMMMGPOBSA-N	310.221	3.568	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)C1(Sc2ccccc2)CC1	1322929232	DPLFHHMMUDVIIV-UHFFFAOYSA-N	319.817	3.503	50	20	DHGD	
CC[C@H](COC(=O)/C(C#N)=C/c1ccc(O)cc1)CC(F)F	1333212069	PBPZTGYIPIEVDL-DELQEKLWSA-N	309.312	3.524	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)o1	16436092	QXEXYRLCYMGBBC-JLHYYAGUSA-N	312.756	3.809	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(F)ccc2F)cc1	44024520	AXPIHLYZAZQXHL-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
CC[C@@H](NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1	112517751	MDGLIENJYLMOTF-MRXNPFEDSA-N	302.805	3.655	50	20	DHGD	
COc1ccc([C@H](NC(=O)NNc2ccccc2)C(C)C)cc1	114917098	NBZJLXWRTCXXPI-QGZVFWFLSA-N	313.401	3.719	50	20	DHGD	
CSc1ccc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)cc1	114992050	NIPVNQHPTREBBZ-BOPFTXTBSA-N	322.433	3.940	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)CC(C)C)cc1	121355049	ZWQAVTFXDHDTNQ-VQCBNXJZSA-N	300.402	3.543	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CCc2cc(C)cc(C)c2)c1	130940973	RMTRXJXMVMMUFF-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1c(F)cccc1Cl	161014193	PIYSALAEIXDJMP-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
CC(C)(C(=O)NNc1ccncc1)c1cccc(C(F)(F)F)c1	180446044	BNMOJTGYCBKZAT-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccccc1OCc1ccccn1	193344015	JIIHTCFWVULTBM-LFIBNONCSA-N	306.365	3.793	50	20	DHGD	
CSc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)s1	253425157	BDDLRRJLDPBZPO-LUAWRHEFSA-N	316.455	3.852	50	20	DHGD	
CCCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	490905779	ARHSQMJYSZDXRH-FOWTUZBSSA-N	306.365	3.890	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491158890	GSUXZIXISYZFFQ-DHDCSXOGSA-N	317.348	3.728	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1F	731488288	CSRJJLHNAMWYRI-CLAMUBHJSA-N	300.377	3.736	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746895457	HFLKDKKMHIUFDW-UHFFFAOYSA-N	313.323	3.846	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)nc1)[C@@H](C)c1ccccc1	747592815	QKPRIYVFWQWOJZ-NEPJUHHUSA-N	318.808	3.553	50	20	DHGD	
Cc1ccccc1CN1CCN(/C(=C\C#N)c2ccccc2)CC1	750599839	MPGXPNWRMFSJDO-NHDPSOOVSA-N	317.436	3.677	50	20	DHGD	
N#CC1=CCN(C(=O)C2(c3cccc(F)c3)CCCCC2)CC1	760003251	JCOXFPFJZTYBFX-UHFFFAOYSA-N	312.388	3.710	50	20	DHGD	
CCc1ccc(C=NNC(=O)CCSc2ccc(F)cc2)o1	760232537	FNXFEIJCDUUBHU-UHFFFAOYSA-N	320.389	3.614	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)CC(F)(F)F)c(Cl)c1	763355886	IUMJPVGNEUAFFB-UHFFFAOYSA-N	324.755	3.855	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccc(F)cc1F	766748470	ZIBXDOCJXLDFJH-LLVKDONJSA-N	321.161	3.818	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCN(Cc2cccc(F)c2)CC1	767041454	LSEIJOAWHLNSOI-UKWGHVSLSA-N	321.399	3.508	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cccc3ccsc23)c1	768306481	DCQOPJBIQJZWKF-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(Cl)c(F)c1	770407316	JGOPIBMKYQLGMW-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
C[C@@H]1Cc2ccccc2N1C(=O)[C@@H](Br)C(C)(C)C	781069814	FOBXRDISYAWDPR-ZWNOBZJWSA-N	310.235	3.774	50	20	DHGD	
CCCN(C)C[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	788022956	RHVJGQUIIOFFQO-INIZCTEOSA-N	314.590	3.672	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)cc1)c1cccnc1	798113335	YAPFHXCDNDKVFU-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@@H]1CCC[C@@H](C)C1	799756437	BAPUYYRNARLGKP-CZUORRHYSA-N	304.434	3.596	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCC[C@H]2CCCF)c1	800806495	YWUWHBFBCHOENW-HNNXBMFYSA-N	320.408	3.704	50	20	DHGD	
C=CCC[C@H](NC(=O)NNc1ncccc1F)c1ccccc1	805223987	QIQZHGIMHBYWEQ-HNNXBMFYSA-N	314.364	3.554	50	20	DHGD	
COc1cc(NNC(=O)CCc2ccc(C)s2)ccc1Cl	811472306	ADXCTYODBPSACR-UHFFFAOYSA-N	324.833	3.794	50	20	DHGD	
CSCCCC=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	814759776	OFDHKNHDPXJWDI-LLVKDONJSA-N	310.488	3.732	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ncc(C(C)(C)C)s1	814764892	HRYQYDZWZUSKLK-UHFFFAOYSA-N	301.415	3.513	50	20	DHGD	
COc1ccc(NNC(=O)C[C@@H]2C=CCC2)c(C(F)(F)F)c1	816702986	KKXNLMCSAOXFHF-SNVBAGLBSA-N	314.307	3.513	50	20	DHGD	
CSCCCCCNC(=O)NNc1ccc(C(C)C)cc1	838560339	VTKCJTLOIMQCPB-UHFFFAOYSA-N	309.479	3.969	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1cc2ccccc2cc1O	842519554	ORVNKLWRFZHETK-UHFFFAOYSA-N	318.323	3.841	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855469424	FSYZEYZILMVPJB-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
C[C@H](CCc1ccsc1)NC[C@@]1(C)C[C@H]1Br	857064038	BSCOTEONTNQOMT-RAIGVLPGSA-N	302.281	3.832	50	20	DHGD	
BrC[C@H](CN1CCCc2sccc2C1)C1CC1	859130239	FALHNQWSZFFQLX-CYBMUJFWSA-N	314.292	3.917	50	20	DHGD	
C=CCC(F)(F)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912582290	NVJUKBRPNAGXTO-LBPRGKRZSA-N	319.468	3.821	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1ccccc1Cl	915928548	GEQHVAVYEPZQFR-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNc1ccc(C(C)(C)C)nn1	1343518006	RZTDJHIVZASRQX-OWBHPGMISA-N	324.428	3.629	50	20	DHGD	
CN(Cc1c(F)cccc1F)C(=O)C1CCC(Cl)CC1	1520207399	JCCPXUMVPAZJFX-UHFFFAOYSA-N	301.764	3.721	50	20	DHGD	
Cc1ccoc1C(=O)NN=C(c1ccccc1)c1ccccc1	10130477	LLYWLSWHMURWNB-UHFFFAOYSA-N	304.349	3.770	50	20	DHGD	
Cc1ccccc1N(C)S(=O)(=O)c1ccc(CCCl)cc1	49991633	VSZJMTXYTPWDKM-UHFFFAOYSA-N	323.845	3.601	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(Oc2cccnc2)c(C)c1	112334884	YLVDFGHAHIBTOE-GDNBJRDFSA-N	308.337	3.652	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3ccc(F)cc3F)coc2c1	122374310	LTJSCTFOJBDIBE-UHFFFAOYSA-N	316.307	3.705	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1OCC	171020257	ZFAGAVBBRHLRHF-LFIBNONCSA-N	311.381	3.619	50	20	DHGD	
COCCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	213517920	AQPPNEWJBMWNPT-KAMYIIQDSA-N	313.378	3.512	50	20	DHGD	
CSSCCNC(=O)c1cccc(-c2csc(C)n2)c1	284040714	KIEWIXNSHKNINM-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
CC[C@@H](NC(=O)NNc1cccc(C#N)c1)C1CCCCC1	726270146	WYAVPZMVVGVYGG-MRXNPFEDSA-N	300.406	3.543	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)C(C)C)c1C	728004224	JHFQAFYUNRISEH-BOPFTXTBSA-N	315.461	3.973	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1)c1cccc2ncccc12	730147231	PNELWHXQXNUOOD-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	730150565	BEVHATXYQJMDNB-SFQUDFHCSA-N	314.429	3.935	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC[C@@H]2c2ccccc2)cc1	732528054	PVIYNAAHLHEXFK-GOSISDBHSA-N	321.424	3.847	50	20	DHGD	
CC(C)CC[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734652660	PINLRNRKJWDSSP-VIFPVBQESA-N	303.328	3.555	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccc(F)cc1)c1cccc(F)c1	735763042	WFKDQCWVFHCFIE-UHFFFAOYSA-N	319.355	3.569	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@@H]2C(C)C)cc1	747753573	JEQLYCPTPFVEAF-MRXNPFEDSA-N	302.418	3.556	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	748005933	RKFRSOVKRMIJHA-UHFFFAOYSA-N	313.357	3.694	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc3c(c2)COC3)cc1	762158803	HFBYDDSNDMWCNS-LSCVHKIXSA-N	319.360	3.676	50	20	DHGD	
CC(Cc1ccncc1)=NNC(=O)c1cccc2ccccc12	767786134	VYEORJOLMZXBKM-UHFFFAOYSA-N	303.365	3.583	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cccc2cccnc12	770191213	QPIJMYDHPQKCJJ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@H](C)C#N)c1C	770930016	OLBPZHDOIGQVGF-LFMVTYOGSA-N	313.401	3.515	50	20	DHGD	
CC[C@H](Cl)c1nc2c(-c3ccccc3)nsc2c(=O)[nH]1	780155438	KHIKUWIBGSPPGJ-VIFPVBQESA-N	305.790	3.737	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(F)cc1Br	780992149	VAZVYLOOBKKHJC-CMDGGOBGSA-N	315.186	3.778	50	20	DHGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	781553404	QWEIYXXBBDPGRX-GHRIWEEISA-N	307.397	3.703	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCC2(CCCO2)CC1)c1ccccc1	788020726	SWOBZPQJONCCJP-DUSLRRAJSA-N	314.429	3.776	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc2ccccc2[nH]1)c1ccccc1	788430203	TWQBXWMSCMKDJU-KRWDZBQOSA-N	305.381	3.812	50	20	DHGD	
O=C(CC12CC3CC(CC(C3)C1)C2)NN=CCC1CCOCC1	788700428	OGORSPKHIWVPKA-UHFFFAOYSA-N	318.461	3.512	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccc(Cl)c(OC)c2)cc1	790171522	UPPMGVICTMCRSN-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
COc1cc(NNC(=O)[C@H](C)c2ccccc2F)ccc1Cl	790187305	PEUDAJAQYKKBRP-SNVBAGLBSA-N	322.767	3.735	50	20	DHGD	
CC1(CC(=O)NNc2cccc(F)c2[N+](=O)[O-])CCCCC1	790585146	CHTKBZCYOMENEG-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1ccc(F)c(C)c1	790757836	CJYQISXLMIKWTL-SNVBAGLBSA-N	302.440	3.506	50	20	DHGD	
Cc1cccnc1NNC(=O)c1sccc1-c1ccccc1	791219658	RWNUPBYPMGVJEP-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(c2cccnc2)CC1	794948092	HUSCOHYHRJYGBZ-UHFFFAOYSA-N	309.413	3.688	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)OC1CCCCC1	798344777	MJECXFXFGCVXPS-ZROIWOOFSA-N	301.390	3.555	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCC[C@H]2C)cc1	799058760	CVVOODZPAVTXBD-FFGMYTNXSA-N	312.413	3.545	50	20	DHGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2ccccc2O)C1	799103723	FHAHKZLOWFASCE-CQSZACIVSA-N	323.396	3.539	50	20	DHGD	
C[C@H]1CC(C(=O)NNC(=O)Nc2ccc(Cl)cc2)C[C@H](C)C1	802015251	GQVIJYMZVLQXGI-GHMZBOCLSA-N	323.824	3.565	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H]1CCC[C@@H]2C[C@@H]21	828347259	IUVUMIPYEMZBFV-JFGNBEQYSA-N	313.323	3.520	50	20	DHGD	
CC[C@H](Oc1ccccc1C(C)C)C(=O)NCC(Cl)Cl	837649848	WNPSZXCIPQCFFQ-LBPRGKRZSA-N	318.244	3.887	50	20	DHGD	
O=S(=O)(CCl)N1CC2(CCCCC2)[C@H]1c1ccccc1	841545485	YSOVIFXQYJEIGG-CQSZACIVSA-N	313.850	3.520	50	20	DHGD	
CC(C)OCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379363	OJEDEAXHNRHKLP-UHFFFAOYSA-N	324.730	3.617	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCCCCCO)C1	852525172	UZUZTXMOBIRJCH-OAHLLOKOSA-N	301.547	3.635	50	20	DHGD	
CCN(C(=O)NC[C@@]1(C)C[C@@H]1Br)C1CCCCC1	856950508	BOLRNGGTQNPQDO-GXTWGEPZSA-N	317.271	3.524	50	20	DHGD	
CCc1cnccc1[C@H](C)NC[C@H](CBr)C1CC1	859247677	XYQPKTWVEQQKME-FZMZJTMJSA-N	311.267	3.716	50	20	DHGD	
C[C@H](NNC(=O)c1cc2c(s1)CCCCCC2)C(F)(F)F	862305960	ZRYUEODSKNGGAB-VIFPVBQESA-N	320.380	3.592	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cn2cc(Cl)ccc2n1	920756277	XZUPCFZUOZRVDB-IZZDOVSWSA-N	311.728	3.679	50	20	DHGD	
C[C@H]1c2ccc(Cl)n2CCN1C(=O)C1CCC(Cl)CC1	1123879537	FNAPGKFLWTZYIY-UNXYVOJBSA-N	315.244	3.842	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)c2ccc(F)c(F)c2)c1	1334937419	SPVSNLMDEVYXSA-GFCCVEGCSA-N	304.340	3.828	50	20	DHGD	
Cc1cccnc1[C@@H](C)NC(=O)NNc1ccc(C(C)C)cc1	1528060952	LENSQJWCKIHTOF-CQSZACIVSA-N	312.417	3.901	50	20	DHGD	
CC(C)CCCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1591237053	WOEQYNOWTQMXPA-UHFFFAOYSA-N	323.345	3.805	50	20	DHGD	
Cc1ccc2cc(/C=C(\C#N)C(=O)NC(C)C)c(Cl)nc2c1	7165420	ZEZKZUDCVFGROU-RIYZIHGNSA-N	313.788	3.628	50	20	DHGD	
Cc1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1	20190829	CQSAYYVPELWLJV-UHFFFAOYSA-N	309.818	3.577	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CC=CCC2)ccc1Br	114889708	XXPCPEDUWJJWFS-NSHDSACASA-N	309.207	3.557	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)C1(c2cccc(F)c2)CC1	115712669	ZWEOKVFUVXWRRD-UHFFFAOYSA-N	321.355	3.549	50	20	DHGD	
C[C@H](CCC(=O)NNc1ncccc1Cl)c1ccccc1	123815290	DIVVLUSIASBMIH-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
C=CCOCCCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	155258144	DOEQEXOQCPNKMN-UHFFFAOYSA-N	315.325	3.636	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(F)cc2)c1Br	156861245	NGFBRZQUEPGRCV-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CO[C@](C)(CBr)c1ccccc1Br	157977121	CJBRGLKHOOKAIQ-SNVBAGLBSA-N	308.013	3.706	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	160830943	VTIILURQCKSGCV-VXGBXAGGSA-N	318.314	3.946	50	20	DHGD	
C[C@@H](CCC(=O)NNc1cccc([N+](=O)[O-])c1)c1ccccc1	162959112	OSTHWSTVVDJCLF-ZDUSSCGKSA-N	313.357	3.622	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2c(F)cccc2F)cc1	176163931	NPIZQCSYQZOWJY-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccc(-c2ccccc2)cc1	183059691	ZQPHYDHVWGMZDR-UHFFFAOYSA-N	304.353	3.897	50	20	DHGD	
CC[C@@]1(C)CN(C(=O)CCCC[C@H]2CCSS2)CCO1	188695454	LHGPOYRNOUBAPR-ZFWWWQNUSA-N	317.520	3.728	50	20	DHGD	
CSc1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)cc1	205582264	IMZLBPNAHAYFLH-PWSUYJOCSA-N	300.221	3.521	50	20	DHGD	
C=C(CBr)CN[C@H](c1ccc(OC)cc1)C1CC1	279783759	UPKXKOPZTJKHJX-HNNXBMFYSA-N	310.235	3.687	50	20	DHGD	
N#C/C(=C/c1nc2ccc(F)cc2s1)C(=O)Nc1ccccc1	491107496	VOTKRPMHVNHJCQ-FLIBITNWSA-N	323.352	3.981	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(F)cc2C#N)cc1	728614633	GSUTYFNSXOPHJS-CAOOACKPSA-N	320.323	3.656	50	20	DHGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)C2CCC2)cc1	731934331	WDWPCQRWCIJUTL-RHLCAJTLSA-N	314.429	3.866	50	20	DHGD	
CC(C)n1cc([C@H](C)NC(=O)NNc2ccccc2Cl)cn1	732892309	ASHVZZYIHYECBK-NSHDSACASA-N	321.812	3.505	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc4c(c3)CCO4)[nH]c12	735620012	SUFLUNUATNSXMQ-GDNBJRDFSA-N	301.349	3.870	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc3c2ccn3C)c(C)c1	743764830	WAQHBUSMQYPRQR-UHFFFAOYSA-N	307.397	3.860	50	20	DHGD	
CCC(C)(C)CC(=O)NNC(=O)Nc1ccc(C)cc1Cl	746023103	WNYDECSQZDNLPS-UHFFFAOYSA-N	311.813	3.627	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccccc2-n2cncn2)n1	747440782	VGCYMNYYFGCRCZ-AUWJEWJLSA-N	321.409	3.911	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1[nH]c(-c2ccccc2)nc1C	748563693	XZNOCDHPFQOBSC-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2cc3ccccc3o2)o1	749823807	RSPFZDZHSRDRFO-BXUZGUMPSA-N	308.337	3.913	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]1c1ccccc1	750185384	JRMKRRCOEIYGKR-JIARHERNSA-N	305.337	3.906	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCCC#N)c1C	752626492	DGPKZVSJGCWURA-ATVHPVEESA-N	313.401	3.659	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cc(F)c(F)cc1F	767783183	QMWAIZZDDIFNFD-UHFFFAOYSA-N	320.314	3.577	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@H](C)c1ccc(F)cc1	771699220	XXZLSRWNUPFULE-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1C	773169382	AMEDUXSFRYESRX-QPEQYQDCSA-N	315.323	3.588	50	20	DHGD	
CC(Cc1ccccc1F)=NNC(=O)c1c[nH]c2ccccc12	780188934	RXDOSFMXACJQHT-UHFFFAOYSA-N	309.344	3.655	50	20	DHGD	
Cc1nscc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	783505486	RQVDTGBBTGMUTJ-UHFFFAOYSA-N	314.322	3.732	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1[N+](=O)[O-]	785350405	HSDUVAXXXPUTEJ-WZMONFQBSA-N	322.320	3.806	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccc(Cl)c(OC)c2)cc1	788539849	FMPIROBXKXHCJS-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791062379	DTDMZKDKAUGKMS-LLVKDONJSA-N	311.357	3.784	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1scnc1Cl	791731815	VONOKQCRRRLDBS-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
CSSCCNC(=O)Nc1ccnn1[C@H](C)CC(C)C	794287996	SVWHOFUMYYSBQI-LLVKDONJSA-N	316.496	3.623	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C2CSC[C@@H]2C)cc1	794872431	XVVAMNOYGJLJSY-ZDUSSCGKSA-N	320.458	3.580	50	20	DHGD	
C=CCC[C@@H](NC(=O)NNc1cccc(F)n1)c1ccccc1	805223886	NXUQFCYFWYIEEY-CQSZACIVSA-N	314.364	3.554	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1csc2ccccc12	805462140	ZVGMHTRVKWZHJB-UHFFFAOYSA-N	324.409	3.716	50	20	DHGD	
CSSCCNC(=O)N[C@H](c1ccc(C)cc1)C1CC1	806353518	OSFACBOTJAFNDP-CQSZACIVSA-N	310.488	3.757	50	20	DHGD	
Cc1csc(CN(C)CCO[Si](C)(C)C(C)(C)C)n1	808727095	AHHWAKMRHKETDJ-UHFFFAOYSA-N	300.544	3.905	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCc2ccc(O)cc2C1	808738515	ZXIGYRQBSUEHJD-UHFFFAOYSA-N	307.510	3.772	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cnnc(-c2ccccc2)c1	810021803	NMRWSXCBHUFOBW-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
O=C(NN=C[C@@H]1CCCOC1)Nc1ccc(Cl)cc1Cl	814996535	QZTVBLKGDFQMOC-VIFPVBQESA-N	316.188	3.527	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(OC)cc1)c1ccc(F)cc1	814999023	IFCBQSLGDNGSEE-UHFFFAOYSA-N	315.348	3.770	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1c(Cl)cncc1Cl	815853882	FKRFGOFWHQESIK-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cccc(Cl)n2)o1	817005744	GUZMHXRTEJZXFL-PWSUYJOCSA-N	319.792	3.527	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743237	LZQMILWASYNNOG-BDAKNGLRSA-N	302.205	3.658	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)C1CC1	822572781	SUJZBSNBSUIAQC-LLVKDONJSA-N	301.312	3.520	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCCCC1(F)F	824208556	CYUHKGDGWZRSOU-LLVKDONJSA-N	322.277	3.974	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@@H](C)CC[C@@H]2C)o1	834950194	QAQIFFNETYZZQA-KBPBESRZSA-N	319.449	3.663	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H](C1CC1)C(F)(F)F	836620024	SASRIRYOONQZJI-LLVKDONJSA-N	321.730	3.615	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(N3CCCC3)nc2)cc1	837057038	UZIRBNOWGGKIPQ-UHFFFAOYSA-N	324.428	3.562	50	20	DHGD	
C/C(=C\C(C)(C)C)C(=O)NNc1ncnc(Cl)c1C(C)C	840545365	GGHGYCOLJOJHCY-JXMROGBWSA-N	310.829	3.689	50	20	DHGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)[C@H]1CCO[C@@H]1C	842548610	AKDXEKXGAFAXFR-QAPCUYQASA-N	322.408	3.537	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844271409	QESQIPMNXKXVGM-GHXNOFRVSA-N	305.349	3.755	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccns1	847831118	XMLIRXVPINRTIX-SNVBAGLBSA-N	303.474	3.900	50	20	DHGD	
CCOC1CC(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)C1	852525343	XZKGHFYZNKVENU-HWOWSKLDSA-N	313.558	3.898	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1CCC[C@@H]1Cc1ccccc1	854451199	UTOITMNNTOTCCF-CHWSQXEVSA-N	300.229	3.565	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2cccc(F)c2Cl)CCO1	862506989	QKQRZQNLIQADMW-QWRGUYRKSA-N	314.788	3.518	50	20	DHGD	
CCc1ncc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	930999893	JKJCMEIZFPUCKY-CYBMUJFWSA-N	310.514	3.833	50	20	DHGD	
CCc1ccccc1OCC(=O)NNc1ccc(C)c(Cl)c1	1317786906	UTJRKCSQOWAVOE-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
Cc1nc([C@H]2CCCN2C(=O)C2CCC(Cl)CC2)cs1	1346591423	JVPFBLUCWNKDTL-ORHYLEIMSA-N	312.866	3.913	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNc1ccc(C(=O)O)cc1F	1605255005	LCZACGDTVNVCNJ-QGZVFWFLSA-N	324.396	3.964	50	20	DHGD	
COc1ccc(C[C@@H](C)C(=O)NNc2ccc(Cl)cc2)cc1	89520959	FNCLTBSEARZQLA-GFCCVEGCSA-N	318.804	3.671	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)c1ccc(Cl)cc1F	90988141	ATYVIDUSLDWOGY-WEVVVXLNSA-N	300.676	3.734	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)sc1C	115719025	TXQRQCAZOPLHJD-UHFFFAOYSA-N	300.305	3.539	50	20	DHGD	
N#C/C(=C\c1ccccc1C#N)C(=O)Nc1ccccc1Cl	120713038	YNJPKRUMDVUNFU-NTEUORMPSA-N	307.740	3.757	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	125789351	VLTYFUCLHOLFHV-MLPAPPSSSA-N	320.352	3.721	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cccc2c1CCC2	133053702	RUVAEOVRJFSLPW-UHFFFAOYSA-N	322.195	3.634	50	20	DHGD	
O=C(CCCOc1ccccc1F)NNc1ccccc1Cl	158384794	ZMLCLJPIGZEKJV-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2sccc2OC(F)F)c1	158616206	BVUDDHLDQAAASA-UHFFFAOYSA-N	312.341	3.723	50	20	DHGD	
CCOc1ccccc1C(=O)NNc1ccc(Cl)c(F)c1	175412504	MBIYMJWECSYAGR-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)c(F)cc1F	178521841	DEBFOUQFLGGEPS-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1ccc(Br)c(/C=C(\C#N)C(=O)C(C)C)c1	178528481	XDAKMCVTEOLMTB-IZZDOVSWSA-N	308.175	3.590	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnn(C2CCCC2)c1C	184357613	QVKBYZGNXLBODV-UHFFFAOYSA-N	316.380	3.511	50	20	DHGD	
CCSc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1	184541155	XSAIFTYTEOMRRT-NTEUORMPSA-N	312.394	3.615	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	267007937	NLNAZUGHXKKCTG-QWRGUYRKSA-N	316.323	3.507	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2CCC(C(F)(F)F)CC2)c1	278441021	PGPHCHZJUDUDQP-UHFFFAOYSA-N	318.314	3.946	50	20	DHGD	
COc1ccc(NNC(=O)CC2CC(c3ccccc3)C2)cc1	282128674	YLJYBLTXQCPYAZ-UHFFFAOYSA-N	310.397	3.722	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1nc(C2CCC2)cs1	296737999	NABQJYWDRTYYDY-UHFFFAOYSA-N	323.809	3.608	50	20	DHGD	
O=[N+]([O-])c1cc(Br)cc(Cl)c1OCCl	306700020	DXOZXHNLZZLUPU-UHFFFAOYSA-N	300.923	3.586	50	20	DHGD	
N#C/C(=C/c1cncc(Br)c1)C(=O)c1ccsc1	588476738	CBKYRJZFENSZFH-JYOAFUTRSA-N	319.183	3.695	50	20	DHGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)c1cccc(F)c1	588598712	ZXASMRGKSCNSJV-CXUHLZMHSA-N	305.308	3.934	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cncc2ccccc12	734249576	BBVWBXCZFKEDLI-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C)cc2C)cc1	734304798	WQWVDMATLNKNSW-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCCC2)NNc1c(F)cccc1F	735692906	RSAGTSMPVIHRBA-UHFFFAOYSA-N	316.351	3.529	50	20	DHGD	
CCCOc1ccc(CCC(=O)NN(C)c2ccccc2)cc1	743291169	IDGJWGLWZDGFNP-UHFFFAOYSA-N	312.413	3.576	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@H]2OCCc3ccccc32)c(C)c1	743763398	IMBKSHBOUUWSAH-GOSISDBHSA-N	324.424	3.759	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc3cccnc23)c(C)c1	747362039	JYZJVCTWWHJQNR-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(COC(C)(C)C)c1C	747436394	BWVCPVRGFMCLEG-PTNGSMBKSA-N	316.401	3.693	50	20	DHGD	
Cc1c(NNC(=O)C[C@H]2CCC[C@H](C)C2)cccc1[N+](=O)[O-]	748669874	JWFZSRASDBXZOW-AAEUAGOBSA-N	305.378	3.563	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2cc(F)c(F)cc2F)c1	748797215	QMVHWNWLXWEPJA-UHFFFAOYSA-N	322.330	3.797	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)Cn1c(C)nc2ccccc21	749157301	XUSSORDPFSEDDR-UHFFFAOYSA-N	312.417	3.583	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC(C)(C)C1	753029502	LWABFEZAPCWTTD-PBTLCFMXSA-N	300.377	3.627	50	20	DHGD	
CS[C@@H](C)CC(=O)NN(c1ccccc1)c1ccccc1	756909119	OLQSTRIHHODQCW-AWEZNQCLSA-N	300.427	3.998	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C)c(C)c2)cc1	758368062	LVOJYQARYDNEGA-WOJGMQOQSA-N	321.376	3.962	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccccc1O)c1cccc(Cl)c1	763339551	QPQLUZFRZGAGAM-NSHDSACASA-N	302.761	3.565	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1	767160232	OCBCRHOVSUOSMO-OLZOCXBDSA-N	321.207	3.779	50	20	DHGD	
C[C@@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)CC(C)(C)C	768704002	IAOMRMACZXLVBH-JTQLQIEISA-N	308.813	3.512	50	20	DHGD	
Cc1cccc(CNC(=O)NNc2c(F)cccc2Cl)c1	771288163	BOVWWFNLJXROAI-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)c1cccc(F)c1F	771345454	SDKRDSQTMPWXAV-SNVBAGLBSA-N	323.318	3.800	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)CCCC1CCCCC1	772893553	QXBBJABMCPLUKC-UHFFFAOYSA-N	304.438	3.794	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])cc3F)[nH]c12	777872251	OVAAZPFMSMMQKN-KPKJPENVSA-N	322.299	3.983	50	20	DHGD	
CC(C)CC[C@@H]1CCCCN1S(=O)(=O)CCCCCl	780810184	WYDWFSGMFDCWPQ-AWEZNQCLSA-N	309.903	3.626	50	20	DHGD	
CN(NC(=O)N[C@@H]1CC[C@@H](Cc2ccccc2)C1)c1ccccc1	782654680	QETJRFRIZJEFQU-ZWKOTPCHSA-N	323.440	3.748	50	20	DHGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)c1	785169219	HUIPLYOKVRVBQG-GZTJUZNOSA-N	308.356	3.700	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc2c(s1)CCCC2	791165089	UROYMDSWKVNKFR-UHFFFAOYSA-N	320.389	3.532	50	20	DHGD	
C=C(CBr)CN1CCC(COc2ccccc2)CC1	791444692	IBDOWLKQQQKDPX-UHFFFAOYSA-N	324.262	3.729	50	20	DHGD	
CCCCNC(=O)NN=C1CCC[C@H](c2ncccc2C)C1	799110358	SHSBNZCCTUHBNI-AWEZNQCLSA-N	302.422	3.503	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	802022682	FAYKGVGFRUAVHT-NEPJUHHUSA-N	323.824	3.709	50	20	DHGD	
Cc1c(C(=O)NCC(Cl)Cl)cccc1-c1ccccn1	808131878	XLAQNUVPGMTLJU-UHFFFAOYSA-N	309.196	3.591	50	20	DHGD	
N#C/C(=C\c1cnccn1)C(=O)c1c(Cl)cccc1Cl	809155434	XDNPQVWYZCPIEO-RMKNXTFCSA-N	304.136	3.573	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCn1ccnc1C	812764686	BZHIADAEALIJFF-UHFFFAOYSA-N	314.433	3.547	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C1CC[C@H]1C1CC1	814790287	LQUVWSNSTGDBGZ-KRWDZBQOSA-N	308.381	3.511	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(C#N)cc1	815003239	KTABXXQGGDEODE-UHFFFAOYSA-N	312.760	3.757	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3cc(C)ccc3n2)c1	815852977	QEUAATXKWIYGMO-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](CC)Cc2ccccc2)cc1	817904498	IUKCDVBSUXRQKM-MRXNPFEDSA-N	312.413	3.797	50	20	DHGD	
CN(NC(=O)Nc1ccc2oc(CC(C)(C)C)nc2c1)C1CC1	824178937	LHZZLHAYQZMXMA-UHFFFAOYSA-N	316.405	3.547	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCS[C@@H]1C	828560152	JHGFLMRABKXRHX-TZMCWYRMSA-N	307.463	3.639	50	20	DHGD	
CC(C)COc1ccccc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	834438207	KGLOPSPAXFLKNT-FCNRDGCESA-N	313.397	3.624	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@@H]1C[C@H]2CC[C@H]1O2	835845049	JOSXLGUUZXXQFZ-REWJHTLYSA-N	316.488	3.811	50	20	DHGD	
CNCc1ccc(NC(=O)NNc2ccc(C(C)C)cc2)cc1	841329650	JXMYBDNSIQTYLA-UHFFFAOYSA-N	312.417	3.678	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2cccc(Cl)c2)C1)C(F)F	841633197	ULFPDJHOFUVHOD-JTQLQIEISA-N	300.736	3.735	50	20	DHGD	
Cc1cccc(NNC(=O)C2=C(c3ccccc3)CCCC2)n1	862519940	XRBPQIUZOQTODE-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)c1ccc([N+](=O)[O-])cc1	899335359	AROWIDQRXSMHBC-PXNMLYILSA-N	308.341	3.656	50	20	DHGD	
O=C(CCCOc1cccc(F)c1)NNc1cccc(Cl)c1	918322778	SUOQPCVGWHJEOD-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
O=C(NN=C[C@@H]1CC=CCC1)c1ccc(Br)cc1	1318441947	FYRAZUFQLQCANO-LLVKDONJSA-N	307.191	3.521	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1ccc(C(=O)O)c(F)c1	1594959289	PYQSQLCZATXFQK-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
COC(=O)c1occc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	25889196	AHYNVZMBWOAIOU-KPKJPENVSA-N	315.712	3.509	50	20	DHGD	
O=C(c1cccc(CCl)c1)N(Cc1ccccn1)C1CC1	37829489	KAMFZLQXWXRYTI-UHFFFAOYSA-N	300.789	3.625	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCCO2	59270067	GWPGAPLRAYOURQ-SDQBBNPISA-N	305.761	3.633	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2cccnc2Cl)s1	85660816	TXBQVTNDKZNGNP-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cc(C#N)cc(Cl)n1	93543684	OFSLOTWYIDIZGY-CYBMUJFWSA-N	320.824	3.656	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc2ccccc2c1O	121106368	IKJBKAUCRPHJMS-UHFFFAOYSA-N	314.291	3.581	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)s1	123504640	YFCJXMFVSRYARO-LCYFTJDESA-N	317.458	3.965	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	128682702	CNSCTKYFMBOEOA-WUXMJOGZSA-N	316.282	3.958	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3ccc(C#N)cc3)coc2c1C	155462578	CTAGGHVCWWTFKB-UHFFFAOYSA-N	319.364	3.607	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(F)ccc2C)c1	182050735	ZIKDLSLBQRRYQR-RIYZIHGNSA-N	310.328	3.688	50	20	DHGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)c1cnc2ccccc2n1	191352291	CMAYVSNDGMWLGK-VZUCSPMQSA-N	308.322	3.664	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=C/C=C\c1ccco1	254852388	XDPYKCKQRBPRAM-WGOWUJGKSA-N	304.349	3.791	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccc(C)o1	263626247	WTXFKONTTBFYME-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccc(OC)cc1	270780869	OPKSXACZTCUPLA-UHFFFAOYSA-N	313.401	3.664	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)Cc2cccc(F)c2)cc1	294481541	WIWQQAVVRNVLQG-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccn1CC)c1ccccc1	490975003	OJETUZLOCYZTJV-QCUIPMNBSA-N	307.397	3.682	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](c2ccncc2)C1	616626032	PGJQVLUOGOPKNO-MRXNPFEDSA-N	306.526	3.893	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc2c(c1)Cc1ccccc1-2	731932873	BBCVIOUDMRBDGU-UHFFFAOYSA-N	304.393	3.898	50	20	DHGD	
C[C@H]1CCCC[C@@H]1N1CCC(=NNC(=O)OC(C)(C)C)CC1	733901515	AGNRBBIAEKYXFK-ZFWWWQNUSA-N	309.454	3.542	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2nccc3sccc23)CC1	734246415	BWOQFJXBSOQMAM-UHFFFAOYSA-N	323.421	3.780	50	20	DHGD	
COCc1cccc(C=NNC(=O)c2ccc3ccccc3c2)c1	743437558	FWARIDODGRWWBX-UHFFFAOYSA-N	318.376	3.750	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)Cc2ccc(F)cc2)s1	744756259	SAAMKLQWOFPLSV-UHFFFAOYSA-N	304.390	3.533	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1CCSc2ccccc21	748056308	RKGJPOSFSWGRHJ-LBPRGKRZSA-N	302.374	3.548	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(F)c(O)c(F)c3)[nH]c12	749894516	QKNGTUITSIOPAL-VZUCSPMQSA-N	311.291	3.919	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21	750033904	ZDTVPRPQVMRWQF-WOJGMQOQSA-N	305.337	3.912	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@H]1C[C@@H](C)c2c(C)cccc21	754312649	XPNREVHJXNBVGD-HUUCEWRRSA-N	309.413	3.823	50	20	DHGD	
O=C(NN=CCCc1c(F)cccc1Cl)NC1CCCC1	755673420	MSEUHIDSSZIJRZ-UHFFFAOYSA-N	311.788	3.639	50	20	DHGD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNc1ccc(F)cc1	763091111	MWYDGGDGNMFTBD-YVEFUNNKSA-N	313.376	3.775	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)c1	763285635	VYSRIZDVIIFPNO-WUXMJOGZSA-N	309.756	3.950	50	20	DHGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)[C@@H](Br)C(C)(C)C	767326192	HCPZODWJCJMCOU-UONOGXRCSA-N	324.262	3.908	50	20	DHGD	
Cc1c(C(=O)NNc2nc3ccccc3[nH]2)oc2ccc(F)cc12	768503255	AJRAYXZHDLTRGC-UHFFFAOYSA-N	324.315	3.514	50	20	DHGD	
N#CC(C#N)=CNCC1(c2ccc(Cl)cc2Cl)CCC1	769548182	HTDHQHCYPLTBAW-UHFFFAOYSA-N	306.196	3.936	50	20	DHGD	
CCC[C@H](C=NNC(=O)Cc1csc(C)n1)c1ccccc1	769568525	IJHCONLYROTBPK-OAHLLOKOSA-N	315.442	3.680	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	773471016	XZMMEIUFIPRITJ-JTQLQIEISA-N	311.769	3.518	50	20	DHGD	
CC[C@H](C(=O)NN=CCCc1ccc(C)nc1)c1ccccc1	774386117	ZPQRRGADPPQTSP-SFHVURJKSA-N	309.413	3.618	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(Br)cc1C	780660290	YEQCLINFWDSXHD-KOLCDFICSA-N	313.239	3.883	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)[C@H](C)C1	783822127	TXNUKRWCSDAURQ-QWHCGFSZSA-N	311.385	3.884	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cn1	788330239	FOZGIYPOJRMRKP-VGOFMYFVSA-N	305.362	3.988	50	20	DHGD	
COc1cc(NNC(=O)c2coc3ccccc23)ccc1Cl	790177824	NKMZCAOVCPJRNN-UHFFFAOYSA-N	316.744	3.852	50	20	DHGD	
C=C(CBr)CN(C)Cc1cc(Cl)ccc1OC	791442383	MNSJCPWZQQRDIQ-UHFFFAOYSA-N	318.642	3.732	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(Cl)cc(Cl)c1)N(CC)CC	791713089	BUIOFRGMHNNUAL-CYBMUJFWSA-N	318.248	3.557	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2cccc(C)c2o1	795477987	UMBJJOVGYKPZRB-UHFFFAOYSA-N	309.159	3.849	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cccc(F)n2)c2ccccc2n1	804766471	IJXJBQJGMYENKK-UHFFFAOYSA-N	324.359	3.649	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)ccc1C#N	809145797	GIDSPSIAHGEHFO-NVMNQCDNSA-N	316.360	3.974	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1cc(C2CC2)ccn1	810324317	JBGZUYYWNRXXJL-UHFFFAOYSA-N	320.755	3.900	50	20	DHGD	
CC(C)[C@H]1N(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1(C)C	817218295	XIAXPRQMUYJBEZ-SCZPIIQISA-N	300.377	3.626	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)n1	822342741	ZKZNYGODNYSWGF-IAGOWNOFSA-N	324.428	3.511	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1nccnc1C1CCC1	832020303	HUMSAAVTQBNXEQ-CQSZACIVSA-N	304.438	3.650	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1cc(C(F)(F)F)ccn1	832962519	BNIGWMZKIKNJDO-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCc1ccncc1F	836003688	GQLKDTHFJBVJOG-GFCCVEGCSA-N	315.435	3.978	50	20	DHGD	
Cc1cc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)on1	844334492	FGFZGDXWVGDLPK-AWEZNQCLSA-N	310.514	3.969	50	20	DHGD	
CC[C@@H](C)OCC(=O)NNc1ccccc1Oc1ccccc1	846461121	KJDHDUBRUKTKAQ-CQSZACIVSA-N	314.385	3.737	50	20	DHGD	
C[C@H](NC[C@@H](CBr)C1CC1)c1cccc(C#N)c1	859231626	LMYXHXQPSRMMIR-XHDPSFHLSA-N	307.235	3.630	50	20	DHGD	
Cc1ccoc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912584888	MJMXEHZOVUDBHR-CYBMUJFWSA-N	309.482	3.824	50	20	DHGD	
COc1cc(C#N)ccc1C(=O)NNc1ccc(C(C)(C)C)cc1	935302498	LHUCXVRJWYDDGZ-UHFFFAOYSA-N	323.396	3.621	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C)c(Cl)c2)C1	1116873690	GDOKWQLKUCBPGA-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
Cc1cccc(C)c1OC[C@@H](NC(=O)CCl)c1ccccc1	1323268918	IIJJDGZUEZTOOK-MRXNPFEDSA-N	317.816	3.779	50	20	DHGD	
C[C@H]1CC(CCNC(=O)c2cccc(CCl)c2)C[C@H](C)O1	1347070321	WUHQZSBDXCYJBA-STQMWFEESA-N	309.837	3.749	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3ccc(F)cc3)coc2c1C	45970005	UZIVFBRJXKTJEH-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
O=C(NCc1ccc(Cl)s1)NNc1ccccc1Cl	46996025	YLSINCIIZPMMBC-UHFFFAOYSA-N	316.213	3.881	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Cc2cccc3ccccc23)c1	156667968	MTLVTAGYICQERG-UHFFFAOYSA-N	324.355	3.673	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)NNc1ccc(F)cc1C	160995173	YDUMUQJGKPJQKM-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
C[C@@H](CC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175473421	HNPSAWCHQZZYJB-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)C1	178992943	WRYOXYFSYKCDAT-SNVBAGLBSA-N	315.339	3.760	50	20	DHGD	
COc1ccccc1[C@@H]1CCCN1C[C@H](C)CBr	248697310	KASAUVYAGMXIDD-OCCSQVGLSA-N	312.251	3.863	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1	252631835	VMWHFEYYQDXBSW-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)C1(C(F)(F)F)CCC1	295268597	ICKVDHOYILHFQI-UHFFFAOYSA-N	312.335	3.741	50	20	DHGD	
CCNc1ccc(Cl)cc1C(=O)NCCSSC	397803791	WAVDBEAOEVAZBC-UHFFFAOYSA-N	304.868	3.513	50	20	DHGD	
COc1ccccc1C(=O)NN=C(c1ccccc1C)C1CC1	731927772	SJUOOCUSGURKHH-UHFFFAOYSA-N	308.381	3.548	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)C1CCC1	731933684	KAULMDSYJJVDHG-UHFFFAOYSA-N	304.699	3.609	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CCC[C@H]2c2ccccc2)c1	732533054	ZLKREIUPULQLMH-KRWDZBQOSA-N	303.365	3.612	50	20	DHGD	
C=CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	735066916	ZIUSVRFGXVRYSC-QCUKBLKESA-N	313.445	3.893	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	741474318	XFJDZUHIHUJHKC-KPKJPENVSA-N	324.771	3.993	50	20	DHGD	
N#Cc1ccc2c(c1)CCCC2=NNC(=O)c1cccc(Cl)c1	743426073	HAHIQIQUJPAHAX-UHFFFAOYSA-N	323.783	3.682	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C1CCC1	747628584	PBYZFSNKWCAHRB-AWEZNQCLSA-N	310.397	3.899	50	20	DHGD	
Cc1cccc(C)c1OCCC(=O)NNc1ccccc1Cl	748302892	QXWXTSARSZDXRE-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
O=C(NN=C1CCc2ccc(F)cc21)c1cc2ccccc2o1	749822128	AJAHROZEORFQKJ-UHFFFAOYSA-N	308.312	3.652	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccn2C)C[C@@H](c2ccccc2)C1	749858455	IYMPNIQTHOUZTK-HOCLYGCPSA-N	309.413	3.715	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2cccc3ncccc23)o1	752164090	BVANQPPSIJAIKS-UHFFFAOYSA-N	307.353	3.544	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(OCCC(C)C)cc2)o1	752174751	RAEBATYCCXIWTC-UHFFFAOYSA-N	314.385	3.777	50	20	DHGD	
C[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC12CCC2	752740870	SIZNLBAFVFACSH-HNDQUVLASA-N	312.388	3.771	50	20	DHGD	
CC(C)(C(=O)NNc1ncccc1C(F)(F)F)C1CCCC1	757894828	NGPNTKNNIKADGQ-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	761359107	AOGNWNATBQJIEW-CYBMUJFWSA-N	321.490	3.693	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@H](C)[C@H](C)C2)cc1OC	767366377	DPBZUUAZQGKSCJ-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
CSc1ccc(NC(=O)[C@H](Br)C(C)(C)C)cn1	767951942	ZEIVOPOGTRCIAI-JTQLQIEISA-N	317.252	3.552	50	20	DHGD	
CCc1noc(C)c1C(C)=NNC(=O)c1ccc2ccccc2c1	769792996	LPZWUFCFLIYDDS-UHFFFAOYSA-N	321.380	3.853	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)c2cccc(F)c2)c2ccccc21	772172030	NJVUEXNPCIZHDH-KAMYIIQDSA-N	319.339	3.985	50	20	DHGD	
CC(CN1CCCCCC1)=NNC(=O)c1ccc2ccccc2c1	777433179	XDNDLPKNTPGISK-UHFFFAOYSA-N	323.440	3.822	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	779775792	BFCDMOMMBXJBHI-LLVKDONJSA-N	316.430	3.824	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2sccc2Cl)c(C)c1	782169045	NPKZZDWTTWJLMQ-UHFFFAOYSA-N	321.833	3.581	50	20	DHGD	
CCc1cccc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	787726335	HIISHGBIZHFFJL-GZTJUZNOSA-N	307.349	3.605	50	20	DHGD	
CC[C@H](C(=O)NN=CC1(OC)CCCCC1)c1ccccc1	790164100	LJYGTUYUYHVLQM-INIZCTEOSA-N	302.418	3.632	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C1(C)CCCC1	792489951	FNTJCRPDNARCFN-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@@H](F)CC1CCCCC1	793709621	BWYYGKCTYZZDPP-INIZCTEOSA-N	315.392	3.986	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCC23CCC3)c1C	799871083	LIWDMBOHDVVOPH-AWEZNQCLSA-N	300.402	3.507	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CCCC1CCCC1	805384972	GGAVAMBYSIRVKI-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CN(NC(=O)N[C@@H]1CCCCC12CCCC2)c1ccccc1	812930546	NRHKSIFUCOIUHL-MRXNPFEDSA-N	301.434	3.840	50	20	DHGD	
CC(C)O[C@H](C(=O)NNc1cccc(F)c1F)c1ccccc1	815856786	APYMFGLLSJWBPC-INIZCTEOSA-N	320.339	3.574	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)c2cc3ccccc3cc2O)CC1	834919167	PCFBSYBCCIFEIJ-UHFFFAOYSA-N	321.380	3.735	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2c(C)cccc2Cl)CCO1	836933045	HPYVCOBFSTWPIV-CHWSQXEVSA-N	310.825	3.687	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2COc3ccccc3C2)cc1	837058160	KODZVFYQCRBAMO-MRXNPFEDSA-N	310.397	3.504	50	20	DHGD	
COC1(C(=O)NNc2cccc(Cl)c2Cl)CCCCC1	838349867	QRMLLVHULDRIPY-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)NNc1c(C)cccc1C(C)C	838699677	ANWMIMQDUGJOQP-DYVFJYSZSA-N	319.449	3.558	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)[C@H]2CCO[C@H]2C)c1	842552209	BEFWHIRJTVPNEH-KXBFYZLASA-N	322.408	3.537	50	20	DHGD	
CC(C)(C)c1nc(CNC[C@]2(C)C[C@H]2Br)cs1	856807414	NZBLQVQLWZOFJO-MFKMUULPSA-N	317.296	3.704	50	20	DHGD	
CO/C(=C\c1ccccc1)C(=O)NNc1cccc2c1CCCC2	857160155	JUGZJAJCBWUCQX-RGEXLXHISA-N	322.408	3.696	50	20	DHGD	
COc1cc(NNC(=O)[C@]2(C)C[C@H]3CC[C@H]2C3)ccc1Cl	861401494	DNZBSYRLNNFQQJ-XMZIXOGTSA-N	308.809	3.618	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1Cl	864366089	KAGGOGWNVKAJLN-OGGBREFQSA-N	307.777	3.879	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2cc(Cl)ccc2F)CCO1	871271499	QEHWABPHZGKDOT-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
C[C@@]1(C(=O)Nc2cccc3ccc(O)cc23)C[C@H]1Br	907088636	XEGAWXZTGJJDTG-UKRRQHHQSA-N	320.186	3.657	50	20	DHGD	
CCCC(=NNC(=O)c1ccncc1)c1ccc(Cl)cc1	916243227	PUMJOOPGXNMWPL-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
CCn1c(C)cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c1C	917028925	ZAHUYSNLKWNJRM-UHFFFAOYSA-N	302.330	3.561	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)cc1)C1CCC1	1324601670	NAPYKXMQLIHXLG-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1	3361540	QLFUBCDAWGKMPW-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)cc1	3616064	UFVXDWXSHKBDBI-RVDMUPIBSA-N	321.336	3.703	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2nc3ccccc3s2)c1	72514652	SQHDTGPKBJKCTN-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(F)cc1F)c1ccccc1	113433218	OFLXOTFFSOZQGT-UHFFFAOYSA-N	304.340	3.776	50	20	DHGD	
Cc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1C	114111591	PBAVKICROTVBKN-UHFFFAOYSA-N	305.809	3.608	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)NCCCCC(C)(C)C	114266418	RVHSHPIXLRABJE-UHFFFAOYSA-N	313.873	3.685	50	20	DHGD	
C/C(=C/C(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	118513360	WBIFQFQBXATYIQ-KTKRTIGZSA-N	306.287	3.651	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)n2)cc1C	122232907	VXPPDFWQJWPOIJ-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1	122675910	XMPDOGDTYOLSAK-LLVKDONJSA-N	308.303	3.952	50	20	DHGD	
O=C(NNc1ccccc1F)N[C@@H](C1CCCC1)C(F)(F)F	127703077	AAVWCDFXGCCQAS-LBPRGKRZSA-N	319.302	3.573	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1cccc(C#N)c1	161061800	HFSGIYGDGCSSIX-UHFFFAOYSA-N	305.337	3.624	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1	172691692	BWKMVRCOBNVGBR-LCYFTJDESA-N	306.793	3.562	50	20	DHGD	
CC(C)[C@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CCS1	255567689	OBRCPGKTUFJORU-NXADEVLQSA-N	317.414	3.533	50	20	DHGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)N1CC=C(C#N)CC1	272660812	HKQWGOPTUXOLEX-QGZVFWFLSA-N	314.454	3.627	50	20	DHGD	
CC(CCc1ccc(F)cc1)=NNC(=O)Cc1ccccc1F	731316885	NKZTZINKTPDOIS-UHFFFAOYSA-N	316.351	3.632	50	20	DHGD	
Cc1ncn(CCP(=O)(c2ccccc2)c2ccccc2)c1C	733198924	KVBCBYUSOIUCTB-UHFFFAOYSA-N	324.364	3.514	50	20	DHGD	
O=C(NN=Cc1nccc2ccccc12)c1cc2c(s1)CCC2	740761004	FEYQJSWFUWEMEG-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
CCOc1ccccc1/C=C(\C#N)c1nc2c(C)ccnc2[nH]1	741472397	HWFJKPNLRZDOBM-GXDHUFHOSA-N	304.353	3.729	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	747007521	WTNJXHXBDICCSR-BRYHAGSVSA-N	320.392	3.788	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cccnc2Cl)cc1	750637333	SKMNICNQVZLXGF-OQLLNIDSSA-N	312.756	3.694	50	20	DHGD	
CC1(CC(=O)NNc2cc(F)c(F)c(F)c2)CCCCC1	753655201	ARUJIXPACJKJFO-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
C[C@H]1COC(C)(C)CN1C(=O)CCCC[C@H]1CCSS1	754493160	DAKIBVMGEQHHES-STQMWFEESA-N	317.520	3.726	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccccc3C#N)n2)cc1	755581078	LHTUKOHQYGBPEL-LICLKQGHSA-N	312.332	3.981	50	20	DHGD	
CCC1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCCC1	756914812	WDFLDRWOTZLXPZ-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	762843998	JLRNGJZQBRNLDL-OYVNLZQHSA-N	314.307	3.775	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1cccc(F)c1	766747989	VFCTXXWDRGDLIF-NSHDSACASA-N	303.171	3.679	50	20	DHGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)N2CC=C(C#N)CC2)C1	780686800	YDIIYLUYIXNVNW-SJLPKXTDSA-N	318.461	3.824	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	786780933	PFMHLGNHMYEXNF-FXMJUIGGSA-N	324.424	3.774	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)c1cnc2ccccc2n1	790231287	ODLOMXUHSPZJOO-WJDWOHSUSA-N	323.359	3.880	50	20	DHGD	
C=C(CBr)CN1CCSC[C@@H]1c1ccccc1	791461450	VBOVMYAQTUFIAJ-CQSZACIVSA-N	312.276	3.728	50	20	DHGD	
C=C(CBr)CN(C)[C@H]1CCCN(c2ccccc2)C1	791474197	UGLJVHUDKVFKBE-INIZCTEOSA-N	323.278	3.538	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2cc3cc(C)c(C)cc3o2)n1	794572561	WYCDMHZFUQBPCH-UHFFFAOYSA-N	307.353	3.517	50	20	DHGD	
CN(CCc1ccccc1[N+](=O)[O-])/C(=C/C#N)c1ccccc1	796113135	LWYUQFOADLLQMQ-GZTJUZNOSA-N	307.353	3.634	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2c(C)nn(-c3ccccn3)c2C)n1	801647510	FDDFQXGFDIUXNB-RIYZIHGNSA-N	321.409	3.713	50	20	DHGD	
CC(C)CCC(=NNC(=O)COCc1ccccc1)C1CC1	802711058	MHDLOJLEAFYPLE-UHFFFAOYSA-N	302.418	3.522	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1nccnc1C1CCC1	805464685	DITZUUVTCLFFLV-CQSZACIVSA-N	316.449	3.794	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)ccc1O	809146714	SVDSIINDXRFQHY-CXUHLZMHSA-N	307.349	3.808	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1Cl	813836651	PGERIRGXGNWSLT-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CC3(CC3)C2)c1	814705203	XRCFPUJWTIDDMT-UHFFFAOYSA-N	300.402	3.543	50	20	DHGD	
N#CSCCCNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	816538912	LYEGBLYTSRBOLY-SJORKVTESA-N	310.422	3.664	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(Cl)ccc2C)cc1	817895574	BMUGXRHCABBTFR-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NNc2cccc(Cl)c2)o1	825330694	AXGIRJBRFNKOEW-UHFFFAOYSA-N	321.808	3.532	50	20	DHGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	825985146	ZXSHTPMQOSNEDF-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1cccc(C(F)(F)F)n1	825997897	SOGXNPYRWRMLBQ-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
Cc1cccc2sc(NNC(=O)CCCOC(C)(C)C)nc12	828358627	NENMQYRPYVFDIP-UHFFFAOYSA-N	321.446	3.643	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2nc(CC)c(C)s2)cc1	836434807	OPJYDAPSIKDCDM-UHFFFAOYSA-N	320.418	3.561	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCC(=O)c2ccccc2)cc1	837058549	QVAOIOQGZWFWKK-UHFFFAOYSA-N	310.397	3.916	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1cccc(Br)n1	837211894	LQFUQWATWYNKJP-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H](C)Cc2ccco2)cc1	837554790	HWNRFKMKZHLGRX-ZDUSSCGKSA-N	301.390	3.660	50	20	DHGD	
C[C@@H]1CCCCCC1=NNC(=O)c1cccc(OC(F)F)c1	844582400	JGGQVOGPGSOUGG-LLVKDONJSA-N	310.344	3.974	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2Cc2ccccc2)CCCCO1	846461727	NJLLGJHZBYNRDT-HXUWFJFHSA-N	324.424	3.680	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1cccc(C(=O)O)c1	853425721	HWZBISSVEJWMJV-UHFFFAOYSA-N	302.374	3.627	50	20	DHGD	
CC(C)(C)n1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cn1	915986032	RYZQFQCXEGLCJC-DHDCSXOGSA-N	319.368	3.752	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccccc1Br	916361631	CZWYKBVDJQPXKR-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
Cc1cc(NNC(=O)c2coc(C3CCC3)n2)ccc1Cl	928339711	IHQZWBAAGYGRMV-UHFFFAOYSA-N	305.765	3.661	50	20	DHGD	
CN(C)c1ncccc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	1323087006	JFAXAJZVHRHAMS-ZROIWOOFSA-N	311.772	3.591	50	20	DHGD	
O=C(NCc1coc(-c2cccs2)n1)C1CCC(Cl)CC1	1345560336	HKDOTPCOQINNQF-UHFFFAOYSA-N	324.833	3.817	50	20	DHGD	
CCCO[C@H]1CCCN(C(=O)C2CCC(Cl)CC2)CC1	1345921508	PCYZXOWMGDXWJE-NRXISQOPSA-N	301.858	3.592	50	20	DHGD	
O=C(Nc1c[nH]nc1-c1ccccc1)C1CCC(Cl)CC1	1521266893	UTXBAHGQVUROGT-UHFFFAOYSA-N	303.793	3.813	50	20	DHGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)NCCC)cc1	6852527	FRXPVBREPUEXSR-DTQAZKPQSA-N	300.402	3.689	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)ccc1O	11297240	KTNJBAKMIDGECV-NTUHNPAUSA-N	313.740	3.844	50	20	DHGD	
CC(C)CC[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	36324899	JGJJCJHWHZGQKH-CYBMUJFWSA-N	317.882	3.571	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc2c1CCC2	120120808	ZEALMRQQXYAHKM-UHFFFAOYSA-N	306.409	3.811	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)CC(C)C)cc1	121354899	ZWQAVTFXDHDTNQ-HNDQUVLASA-N	300.402	3.543	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)cn1	124147967	GJWMHPNCIVGFLB-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CCC(C)(C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	124719154	XHPJZPNTSUENAD-UHFFFAOYSA-N	304.312	3.507	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](OC(C)(C)C)c2ccccc2)c1	151358466	DLMJIQCCONWCTL-QGZVFWFLSA-N	312.413	3.995	50	20	DHGD	
COc1ccc(C)cc1[C@H](C)NC[C@H](C)CBr	152766014	MWPFCLDGBFICQV-NEPJUHHUSA-N	300.240	3.685	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2cccnc2)cc1	154421353	PQDJFFRAMJMOBS-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@@H]1c1c(F)cccc1F	160881876	YBXCGYVHHJMNJX-RYUDHWBXSA-N	320.314	3.659	50	20	DHGD	
COc1csc(C(=O)NNc2ccc(Cl)cc2Cl)c1	178879770	MDORXLUCLPAYMZ-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
N#C/C(=C/c1ccccc1C#N)C(=O)c1ccccc1OC(F)F	182257708	DIDAXMJXFJDEAD-ZROIWOOFSA-N	324.286	3.950	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)no1	183182351	YVIIGJWLNNCRKO-UHFFFAOYSA-N	301.390	3.852	50	20	DHGD	
CN1CC[C@@H](Nc2cccc(S(F)(F)(F)(F)F)c2)C1=O	185557250	RTTCWPLWPNCHSO-SNVBAGLBSA-N	316.295	3.987	50	20	DHGD	
Cc1cccc(NNC(=O)COc2cccc3ccccc23)c1	192834051	HNDLIFFSCVMJPL-UHFFFAOYSA-N	306.365	3.670	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C\c1ccc2ccccc2n1	255777334	RERWBWGKVQPTFO-LUAWRHEFSA-N	321.355	3.839	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(Cl)cc1)c1cccnc1	741451660	UAABDNMATYZBNT-OAHLLOKOSA-N	313.788	3.789	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1cccc(C)c1	743301538	JJOHDWIPHNQWEJ-XIRDDKMYSA-N	304.434	3.812	50	20	DHGD	
CC1(C)C(C(=O)NNc2ccccc2C(F)(F)F)C1(C)C	746111841	ICCAWXQYOHUTOL-UHFFFAOYSA-N	300.324	3.831	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2CC1	750048057	YLPFLKBPUMKMKJ-DJKKODMXSA-N	319.364	3.560	50	20	DHGD	
Cc1ccc(C(=O)NN=C2C[C@H](C)Sc3sccc32)o1	752175834	YIKNYIHOJASPQV-VIFPVBQESA-N	306.412	3.668	50	20	DHGD	
C[C@H]1CC[C@H](CCC(=O)NNc2cc(Cl)ccc2Cl)O1	752806892	DZXLLNFQLDYAJD-GXSJLCMTSA-N	317.216	3.784	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3ccc(F)cc3F)cc2s1	762139497	RFXHIZABCBFXJT-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)cc21	764321101	ZEHAEJWOAWWCCT-SOFYXZRVSA-N	309.300	3.661	50	20	DHGD	
CCCCCCCCC(=O)NNc1ncnc2ccsc12	766673908	PMJUQHIVNAESNN-UHFFFAOYSA-N	306.435	3.885	50	20	DHGD	
Cc1ccc(C(=O)NN=CC2CCC(C(F)(F)F)CC2)o1	767387097	XLGGGTNHYGMTOO-UHFFFAOYSA-N	302.296	3.672	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(Cl)cc2Cl)sn1	770061466	RLFITVGAZQLUHU-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
Cc1cc(Cl)ccc1OCC(=O)NNc1c(C)cccc1F	771707251	MRHJWCTYPNCTNL-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	780373370	FFRXNOBAMSCRRF-MLPAPPSSSA-N	319.286	3.712	50	20	DHGD	
O=C(NNc1ccc(F)cn1)Nc1cc(Cl)cc(Cl)c1	780602282	OWDNUHUXLMXXOE-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
COc1ccc(Oc2ccc(C=NNC(=O)C(C)C)cc2)cc1	783813100	ZHDUGFGPPSKLSL-UHFFFAOYSA-N	312.369	3.594	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)NCc1ccc(F)cc1F	786051913	WSBUXTAOYMQWLU-GVEAZFNLSA-N	324.330	3.744	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C	788193102	NLJVDUZWLKFTPF-IUODEOHRSA-N	306.381	3.516	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	800521048	SSCGNISKXYCGHW-LLVKDONJSA-N	318.339	3.897	50	20	DHGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@@H]1CCCF	800808404	SBSJGQGZZHMQDA-CHWSQXEVSA-N	324.371	3.615	50	20	DHGD	
CC(CCCOc1ccc(Cl)c(C)c1)=NNC(=O)C(F)F	800815761	MSFJOFQYMCHVLD-UHFFFAOYSA-N	318.751	3.565	50	20	DHGD	
COc1ccc(NNC(=O)/C(C)=C/c2ccc(Cl)cc2)cc1	810345274	FHHFBWWFUYBUTK-VAWYXSNFSA-N	316.788	3.895	50	20	DHGD	
CCC(=NNC(=O)c1cccn1C)C12CC3CC(CC(C3)C1)C2	811636696	LDWFFKBVRWGAIV-UHFFFAOYSA-N	313.445	3.737	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)C1(C(F)F)CCCC1	813510101	OQWXRCDYDSNIQI-UHFFFAOYSA-N	305.328	3.503	50	20	DHGD	
CC[C@H](C=NNC(=O)CNc1ccc(C)cc1)c1ccccc1	814712162	LLDVTAZGNWSJHU-MRXNPFEDSA-N	309.413	3.703	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC(c3ccc(O)cc3)CC2)o1	814868049	IZPYYOQLQICLPS-UHFFFAOYSA-N	312.369	3.737	50	20	DHGD	
CCC(CC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816702787	CGEZOSLEXOKZBE-UHFFFAOYSA-N	304.312	3.593	50	20	DHGD	
CCCOc1cc(/C=C(\C#N)C(=O)C(C)(C)F)ccc1OC	834447780	RVHCLFLZKDJKMY-UKTHLTGXSA-N	305.349	3.708	50	20	DHGD	
CCCOc1cccnc1C(=O)NNc1ccc(C(C)C)cc1	837058502	NOQCPGVKUKVWPX-UHFFFAOYSA-N	313.401	3.751	50	20	DHGD	
C[C@H](c1ccc(C(=O)NCC(Cl)Cl)cc1)C(F)(F)F	837644266	OCIZMTDVIMDCEJ-SSDOTTSWSA-N	314.134	3.886	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@@H](C)c2ccsc2)cc1	838582044	KIEWPHBDPPMQNH-NSHDSACASA-N	305.403	3.534	50	20	DHGD	
CO[C@](C)(C1CC1)[C@H](C)NC(=O)NNc1ccc(C(C)C)cc1	840424540	PYDYJZAWHZRERS-UGSOOPFHSA-N	319.449	3.640	50	20	DHGD	
CCOC(=O)NN=Cc1cnc(-c2ccc(C)c(C)c2)s1	848398924	GUHONNCVHZRMDN-UHFFFAOYSA-N	303.387	3.507	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1cc(F)cc(Cl)c1	855620094	KLNKPTAPYXRMPI-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)c(C)c1	860318355	UGMFLRCZWSNOMF-KZNAEPCWSA-N	306.409	3.641	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)CNc1ccc(C)cc1	920362927	MIYNBNYWGGBTCM-UHFFFAOYSA-N	323.440	3.840	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCOc2c(C)cccc21	920375805	ZLZYSGGUFGOTFO-UHFFFAOYSA-N	309.369	3.612	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)C1CCCC1	921257950	BQPTUJYIRMBXMV-UHFFFAOYSA-N	315.200	3.642	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)o2)cc1	1317944725	SVMITOIVYPOJKH-UHFFFAOYSA-N	320.348	3.719	50	20	DHGD	
O=C(CCl)N[C@@H](Cc1cccc(F)c1)c1cccc(F)c1	1319674116	FIVWUHOACXCDEP-HNNXBMFYSA-N	309.743	3.604	50	20	DHGD	
CC(C)[C@@H](O)[C@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1347831369	JLYKLYGZPJUCOL-BHUNQDJPSA-N	323.864	3.658	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3cccnc3)o2)cc1	1348871495	PZOQGSRMZRZSMS-GDNBJRDFSA-N	318.336	3.594	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H](CC(F)(F)F)C1	1349951137	LBDXTTRCKSRWCY-VOMCLLRMSA-N	311.775	3.975	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccsc2C(=O)O)cc1	1603540629	YFLVVACBEIQZJP-UHFFFAOYSA-N	318.398	3.501	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1	64025115	WWSZQLVMIIMJHD-UHFFFAOYSA-N	317.820	3.943	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3cccnc3Cl)csc2C1	85683831	AIGPZJRTLQEFJD-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1ccnc2ccccc12	106924709	DKPHFFZFFMQAQD-UHFFFAOYSA-N	305.381	3.701	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(F)c(F)cc1F)c1ccc(F)cc1	115718780	RZOHQLHXQUNXLR-TWGQIWQCSA-N	324.277	3.790	50	20	DHGD	
C[C@H](CC(=O)NNc1cccnc1Cl)c1ccccc1F	128290749	HKKTZVUMPJPMJR-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2cccnc2Cl)cc1	128630483	VVIGQLOZDUBFJP-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccncc1	175565519	NIJBHESHUOTEFO-AWEZNQCLSA-N	322.771	3.652	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCc1cccc(-c2cccc(C)c2)c1	178963536	ZYPMVXMXOBRXEN-XMHGGMMESA-N	320.392	3.722	50	20	DHGD	
CCSc1cccc(NC(=O)NNc2ncccc2Cl)c1	179857098	LKJMCWXPTTVDMP-UHFFFAOYSA-N	322.821	3.996	50	20	DHGD	
Cc1ccccc1-n1c(C)cc(C(=O)NNc2ccncc2)c1C	180440585	RQOGQSVBFQLFRP-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)C1(Cc2ccccc2)CC1	181137163	WCUUTYFUCVELJN-UHFFFAOYSA-N	317.392	3.701	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1=CCCCC1	188633246	GVQBXJHNUGFRFO-UHFFFAOYSA-N	302.271	3.788	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(OCCC(C)C)cc1	207886571	SFFMCRSGCIQIDX-LGMDPLHJSA-N	314.429	3.935	50	20	DHGD	
CN1/C(=C/C=NNC(=O)c2ccccc2)C(C)(C)c2ccccc21	254394487	XCKZWFOEHRCHDR-DIRIOSEZSA-N	319.408	3.714	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	255073921	GGYYZNOEIDJBNP-WZUFQYTHSA-N	314.282	3.668	50	20	DHGD	
N#CC1=CCN(CCCOc2cccc(C(F)(F)F)c2)CC1	272683131	SECRSXRYYXHUEQ-UHFFFAOYSA-N	310.319	3.630	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccccc1O	299547629	KQWGOTDOZJRMOY-ZDUSSCGKSA-N	311.472	3.723	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(F)ccc2C)cc1	588394184	RJSMHNCFNDAZCF-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
CSCCCCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	588431814	DUUGEFXCDJBLOL-NTCAYCPXSA-N	320.433	3.772	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c[nH]c2c(CC)cccc12	588588823	QVNBJMRZPFODEF-GDNBJRDFSA-N	316.426	3.810	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(c2ncco2)CC1	616619721	PZKDFZXTURLNOR-UHFFFAOYSA-N	310.514	3.876	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)Cc1ccccc1F	731321437	YOKICLZSTQHEQA-UHFFFAOYSA-N	324.355	3.827	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)C1CCSCC1	732931584	CDXJVDVKRUHIAZ-UHFFFAOYSA-N	312.438	3.999	50	20	DHGD	
CCCCC[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734652787	RXQDBFHXDVTPKM-SECBINFHSA-N	303.328	3.699	50	20	DHGD	
C[C@H](CNC(=O)NN(C)c1ccccc1)Sc1ccccc1	743691165	VTLOZFRZXXCLMA-CQSZACIVSA-N	315.442	3.518	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1cccc2c1CCCC2	748569488	HIJNDWOBQZTRFT-UHFFFAOYSA-N	320.436	3.740	50	20	DHGD	
Cc1cc(Cl)cc(C(=O)NNc2cccc([N+](=O)[O-])c2C)c1	748673982	VIUUQTGNDTXFPK-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1ccc(C)cc1	749203701	XSDREJACCOTZNB-XIRDDKMYSA-N	304.434	3.812	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccncc2)C[C@@H](c2ccccc2)C1	749853273	ICVGAMSZXKLHJC-PBHICJAKSA-N	307.397	3.771	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2ccc(F)cc2C)cc1	752143676	JTDHKYVPNMGJLO-UHFFFAOYSA-N	318.417	3.932	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cn(C)c3ccccc23)cc1	755556630	VTCONKCOJICPPP-UHFFFAOYSA-N	305.381	3.505	50	20	DHGD	
CCc1nc(C=NNC(=O)c2ccc3ccccc3c2)cs1	755654920	NAIWARSWYADVLS-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1cc(C)ccc1F	760136915	JZKAZDUVXHBENF-INIZCTEOSA-N	316.376	3.743	50	20	DHGD	
Cc1csc(CC(=O)NN=C[C@H](C)c2cccc(Cl)c2)n1	763359584	QQSYHBWDDRJBNB-JTQLQIEISA-N	321.833	3.553	50	20	DHGD	
Cc1ccc(NC(=O)NN=C2CC(C(F)F)C2)c(Cl)c1	766025280	PBUYJRNKYDWSNS-UHFFFAOYSA-N	301.724	3.801	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccccc2O)C[C@@H]1c1ccccc1	768476826	RYSHOVNYTMJISN-OAHLLOKOSA-N	308.381	3.692	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1F	779751569	JVDYLCBRTSCNEC-GXDHUFHOSA-N	316.376	3.580	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	780602519	YQBYGJJJEMWESG-MYJAWHEDSA-N	300.324	3.619	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12)C1CCC1	790164430	QHBUTFNHLMQOBK-UHFFFAOYSA-N	310.184	3.725	50	20	DHGD	
CSSCCNC(=O)N[C@H](c1ccc(F)cc1)C(C)C	790852935	JCVYZFOEEGNREI-ZDUSSCGKSA-N	316.467	3.833	50	20	DHGD	
Cc1ccc2c(c1)CCN(C(=O)/C(C#N)=C\c1ccc(F)cc1)C2	790987736	HYKGAWRYELJESC-WQRHYEAKSA-N	320.367	3.626	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1c[nH]c2c(CC)cccc12	797344336	WYZQOLSOWQTPIP-PTNGSMBKSA-N	309.413	3.944	50	20	DHGD	
COc1cccc(C=NNC(=O)c2cccc3ccccc23)c1F	799882629	YUKIKUWFFVSNDM-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ncccc2C)cc1Cl	806679939	NTXSQFIRJKNNLR-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](N2CCCCC2)C1	808725619	YXWOCDPSAGGIHU-MRXNPFEDSA-N	312.574	3.568	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NN(C)c1ccccc1	809984635	RPVPAINLRORJNC-QBFSEMIESA-N	300.789	3.911	50	20	DHGD	
CO[C@@]1(C)CCCN(Cc2ccc(OCCCCl)cc2)C1	811497822	FNFDFFNZQYYUKN-KRWDZBQOSA-N	311.853	3.695	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cn(C)nc1C(F)F	812242272	UNTDSCGENRHTCK-UITAMQMPSA-N	307.325	3.518	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CC=CCC2)c(C(F)(F)F)c1	816702175	BEBLAHACQOWXCJ-JTQLQIEISA-N	314.307	3.513	50	20	DHGD	
C[C@@]1(CC(=O)NNc2cccc(Cl)c2)CC1(Cl)Cl	822363188	SWTLHTLFCHCOFW-LLVKDONJSA-N	307.608	3.757	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2nc3c(C)cccc3s2)c1C	828367159	ILDYXXHSDNHTPQ-UHFFFAOYSA-N	315.398	3.880	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1conc1Cc1ccccc1	834405325	SGWWMMDBACKOAU-RVDMUPIBSA-N	310.353	3.516	50	20	DHGD	
CCCN(N=C[C@@H](Cc1ccccc1)OC)C(=O)OC(C)(C)C	834978074	VLYUUNXOGRKPAQ-MRXNPFEDSA-N	320.433	3.877	50	20	DHGD	
CC(C)Oc1cc(C(=O)NNc2ccc(C(C)C)cc2)ccn1	837054362	PPLMWEPNLQQUTJ-UHFFFAOYSA-N	313.401	3.749	50	20	DHGD	
Cc1cc(C)c([C@@H](C)OC(=O)/C(C#N)=C\c2cnn(C)c2)c(C)c1	837970431	CVOBPAJXWLNKGW-TUBDAXHVSA-N	323.396	3.557	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)C(C)(C)C)c(C(F)(F)F)c1	857265037	BRIDNZJKLPFJCI-SECBINFHSA-N	318.339	3.839	50	20	DHGD	
CC1(c2ccccc2)CN(C(=O)[C@@H](Br)C(C)(C)C)C1	857728331	MTXWFHZBPLZIDP-CYBMUJFWSA-N	324.262	3.596	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2ccco2)C1	891543134	JFPMMKKBHBKMQD-ZDUSSCGKSA-N	309.482	3.906	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1cccc(C)c1	916242796	DRROALBVQZCLOZ-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2Cc3ccccc32)c(C)c1	919658336	RHLZGLBILGBBHV-INIZCTEOSA-N	309.413	3.578	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)ccc1[N+](=O)[O-]	1319735649	ZUOBTIJSKQWGDL-NTEUORMPSA-N	322.320	3.702	50	20	DHGD	
Cc1csc(CCCNC(=O)c2cccc(CCl)c2)n1	1335752796	JICDHFUQGYOLBG-UHFFFAOYSA-N	308.834	3.553	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(-n2cccn2)cc1	1337209811	VPJVOHTZRLWROK-LGMDPLHJSA-N	313.360	3.971	50	20	DHGD	
O=C(Nc1ccc(Cn2cccn2)cc1)C1CCC(Cl)CC1	1548629020	TWYRIRIRROWKCL-UHFFFAOYSA-N	317.820	3.668	50	20	DHGD	
O=C(O)c1ccc(NNC(=O)C2CCCCCCC2)cc1Cl	1602384414	GJBLUXPWEIFUCD-UHFFFAOYSA-N	324.808	3.842	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(C(=O)O)c3F)[nH]c12	1777448313	RXBPSQFKGZXEDQ-XYOKQWHBSA-N	321.311	3.773	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1OCC	8079668	PWYVUCIUUNLQNY-OQLLNIDSSA-N	324.405	3.926	50	20	DHGD	
CCc1nnc(NC(=O)CCCC[C@H]2CCSS2)s1	21289657	WRRFUSQBDDYDMT-VIFPVBQESA-N	317.505	3.753	50	20	DHGD	
N#C[C@@H](C(=O)CCCC[C@@H]1CCSS1)c1ccccn1	41482190	JVOZYJNCZSYLSC-CHWSQXEVSA-N	306.456	3.972	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncccc2Cl)c(Cl)c1	91984554	WZRLAOPONQIDQM-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccccc1OCC1CC1	92765073	SGFBEIMJIQPLCF-UHFFFAOYSA-N	315.348	3.763	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2C(F)(F)F)ccn1	93098700	PYOWTRDVMFKEEA-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)c(C(F)(F)F)c1	109517696	WCKOWLOVSIZFJU-BQYQJAHWSA-N	318.682	3.741	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ccc(Cl)cc1	120364393	TZGXAEJKIQLPFR-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1	125512566	IMXABOLCOZLCPJ-QENILXLESA-N	317.385	3.625	50	20	DHGD	
CCc1ccccc1C(=O)NNc1cccc(Br)c1	152145256	ZRWLBEHQEMAFKQ-UHFFFAOYSA-N	319.202	3.768	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC=C(C(F)(F)F)CC1	167166315	OKPWLCQWRAOPDB-UHFFFAOYSA-N	303.711	3.760	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnn(CC)c2)cc1	171805683	XWNDLUXQYOWVTG-NGWPFTMJSA-N	322.412	3.962	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnn(C(C)C)c1	171981243	UOQWQNPWDLWEFQ-LZYBPNLTSA-N	308.385	3.627	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1coc2ccccc12	175458761	PPNDZDMJHTWWIA-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(C(C)(C)C)c2)cc1	181145143	BWIOHPDWCQRTKK-UHFFFAOYSA-N	314.433	3.693	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1O	184840172	JPQCVWFZVJTDSA-MHWRWJLKSA-N	307.349	3.889	50	20	DHGD	
O=C(Cc1ccc(O)cc1)NN(c1ccccc1)c1ccccc1	216387056	VEDMCDWPRKEFCX-UHFFFAOYSA-N	318.376	3.804	50	20	DHGD	
C[C@@H]1C[C@H](C(=O)NN(c2ccccc2)c2ccccc2)CCO1	271920588	UKZQJMLLRNGEOH-HZPDHXFCSA-N	310.397	3.671	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cccc3c2ccn3CC(C)C)c1	278207248	OPCIQBOSSRAGTC-UHFFFAOYSA-N	322.412	3.758	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(C)ccc2C)cc1C1CC1	278416970	MQVQBYSDKHYALG-UHFFFAOYSA-N	310.397	3.946	50	20	DHGD	
C=C(CBr)CN[C@@H](c1ccc(OC)cc1)C1CC1	279783764	UPKXKOPZTJKHJX-OAHLLOKOSA-N	310.235	3.687	50	20	DHGD	
CSSCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)s1	375205659	LIKHOYYEUXQWOW-HTQZYQBOSA-N	307.893	3.632	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1C#N	491177228	VFVVSLLWFHLAEL-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)C(N)=C(C#N)C#N)c1	729641570	NYYOHNJUHYETIL-LICLKQGHSA-N	310.360	3.829	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)CCCc3ccccc3)c2c1	735613901	LLAPUVMAFHVJMF-UHFFFAOYSA-N	319.408	3.949	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)c1	742350137	QVFGTLUHNUFYCX-YVLHZVERSA-N	307.349	3.631	50	20	DHGD	
CC(C)(C(=O)NN=Cc1coc2ccccc12)c1ccccc1	746576991	SIRIQMQDOMZOCG-UHFFFAOYSA-N	306.365	3.861	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2ccc(F)cc2C)cc1	748544386	GEQOTQSDZCYUEA-UHFFFAOYSA-N	300.377	3.772	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H](C)C1CC1	748737378	SUGIFAHLQDNFTH-SECBINFHSA-N	311.223	3.637	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1cccc(Br)c1	752174432	IEMBDYRUSOTRLL-UHFFFAOYSA-N	321.174	3.505	50	20	DHGD	
CCC(=O)NNC(=O)Nc1ccc(N=Nc2ccccc2)cc1	755360976	FHADMDQAEMKMOS-UHFFFAOYSA-N	311.345	3.665	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756781066	KTVBBMMRHIXUJK-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)C(F)(F)F	757425026	IQMDPDBXMVCWGI-MRVPVSSYSA-N	313.231	3.852	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	762844009	JLRNGJZQBRNLDL-SPQRFVMMSA-N	314.307	3.775	50	20	DHGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	771440392	NVSDRJVUXJMHTJ-SNVBAGLBSA-N	322.771	3.570	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=CC(C(C)C)C(C)C)o1	789000280	GIDVXUAHISXRDF-UHFFFAOYSA-N	321.465	3.765	50	20	DHGD	
Cc1nc(C(=O)NNc2ncccc2C)c(-c2ccccc2)s1	791224961	ITHCGFHNIXEDDB-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1nc2cc(C(=O)Oc3ccc([N+](=O)[O-])c(C)c3)ccc2o1	791471595	QBZWKEVARGJJGE-UHFFFAOYSA-N	312.281	3.572	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2ncn(C)c12	794949010	NEUNJFCZYDWERC-UHFFFAOYSA-N	322.412	3.762	50	20	DHGD	
C=C(CBr)COC(=O)Cc1cccc(C(F)F)c1	795643437	WQDNEINHQXBABC-UHFFFAOYSA-N	319.145	3.661	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCC[C@@H]2CCCF)c1	800806498	YWUWHBFBCHOENW-OAHLLOKOSA-N	320.408	3.704	50	20	DHGD	
C[C@H]1CSCCN(Cc2ccc(OCCCCl)cc2)C1	811495658	OITCOSMJZDWPRD-CQSZACIVSA-N	313.894	3.879	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1n[nH]c2ccccc12	812767254	HAZDUVIPOHVTQY-UHFFFAOYSA-N	322.412	3.681	50	20	DHGD	
CC(Cc1ccc(F)cc1)=NNC(=O)c1c[nH]c2ccccc12	814699053	FENDWLKRVVQRFM-UHFFFAOYSA-N	309.344	3.655	50	20	DHGD	
O=C(Cc1cccnc1)NN=C1CCCC[C@H]1C1=CCCCC1	814837624	DOOHZUUIOGUOAN-KRWDZBQOSA-N	311.429	3.787	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccn(C(C)C)c1C	815218242	CBVHDFDUSCGOEP-UHFFFAOYSA-N	318.329	3.513	50	20	DHGD	
CC[C@@](C)(OC)C(=O)NNc1ccccc1Cc1ccccc1	846462913	YVNHBYYUCJKJGF-LJQANCHMSA-N	312.413	3.536	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2Br)C[C@H]2CC[C@H]1C2	860314403	NSPMRZKWBHFSJJ-ZIBATOQPSA-N	323.234	3.719	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1cc(C)cs1	863155885	CGXHMKCYHOMMFM-UHFFFAOYSA-N	302.399	3.501	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(C(=O)N2CCCC2)cc1	864365719	AETKAOJKXZTITR-SFQUDFHCSA-N	324.424	3.835	50	20	DHGD	
CC(CCc1cncc2ccccc12)=NNC(=O)CC(F)(F)F	872344801	NZHJDEVEWNMSFH-UHFFFAOYSA-N	323.318	3.612	50	20	DHGD	
CCOc1ccc(NC(=O)[C@]2(C)C[C@H]2Br)c(C)c1	906341826	PJLJPQZFOCKADY-TZMCWYRMSA-N	312.207	3.506	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)cc1	1115814173	DUORWXYEERGSMA-HIFRSBDPSA-N	300.402	3.771	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(N)c(Cl)c1)c1ccccc1	1319544128	WWKXTJRDLRXLDZ-CQSZACIVSA-N	315.804	3.566	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1cccc(F)c1Cl	1329173673	XRQNFEDBGIWTGC-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
CC(C)[C@@H](CNC(=O)c1cccc(CCl)c1)c1cccnc1	1337183926	SUSVMXGTBXWOCC-QGZVFWFLSA-N	316.832	3.990	50	20	DHGD	
O=C(NN=C1CCCCC1)[C@H]1CCCO[C@H]1c1ccccc1	1549080945	OXVCZNDGNCGKOC-IRXDYDNUSA-N	300.402	3.591	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(C(=O)O)o1	1599966588	RUMJXKZSCDKUNO-DHZHZOJOSA-N	320.304	3.557	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3ccccc3C(=O)O)c2cc1C	1600311341	MEEQILAFRWKQKA-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cccc(C)c2)cc1	5112127	UFSYKYLHVKBGBQ-GZTJUZNOSA-N	307.349	3.654	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1O	7157844	XCJPYMHCDSRQCG-OQLLNIDSSA-N	322.364	3.563	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1ccccc1)C1CC1	41704851	HUDCXYGNHMWRLE-XYSGSMRZSA-N	318.376	3.567	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(OCC2CC2)cc1	104130824	OFVVBPPJYRYPKU-UHFFFAOYSA-N	318.323	3.511	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1nc(C(C)(C)C)cs1	114961444	ALPQENJNSGJDMF-LLVKDONJSA-N	318.446	3.828	50	20	DHGD	
O=C(NC[C@@H]1CCCS1)NNc1ccc(Cl)cc1Cl	126582232	MCZCCWDFWGQWIS-VIFPVBQESA-N	320.245	3.515	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(F)cc1C)c1ccc(F)cc1	127815182	HADNHDNCGXKMLT-HNNXBMFYSA-N	304.340	3.910	50	20	DHGD	
CCCN(Cc1ccc(C#N)cc1)C[C@@H](C)CBr	133624158	ZUSXZPJOXRCUOF-ZDUSSCGKSA-N	309.251	3.801	50	20	DHGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1ccc(Cl)cc1	152687745	PJGPOUSMNJUXIU-SECBINFHSA-N	307.781	3.582	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1Cl)NNc1cccc(F)c1	154064180	WUXQLFHUKRNYGI-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)CCc2cccc(F)c2)cc1	158687286	SAUXURUUHFTNFI-CQSZACIVSA-N	300.377	3.846	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cncc(-c2ccccc2)c1	177354256	RNUGXIZMPPWEEC-UHFFFAOYSA-N	307.328	3.645	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1Oc1ccccc1	178950526	RYYKJCQRRXGMHW-BUHFOSPRSA-N	308.337	3.861	50	20	DHGD	
Cc1ccc(-n2cc(NC(=O)NNc3ccccc3)cn2)c(C)c1	189678887	FSQHNZPLWQQITP-UHFFFAOYSA-N	321.384	3.638	50	20	DHGD	
O=C(CCc1ccc2ccccc2c1)NNC(=O)CC1CCCC1	195206788	YENJKQMYNDHVMY-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)OCCCC)cc1OC	206063466	RZUTYUXJSOMQER-RVDMUPIBSA-N	315.369	3.510	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C)ccc2OC)c1	212891340	RUVRZGNEVZXBMY-YBEGLDIGSA-N	307.349	3.802	50	20	DHGD	
CCOC(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	254430402	UBENFKFGNIBBEU-UHFFFAOYSA-N	321.380	3.925	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1CCSCC1	276906364	TYDYVCNJCGFJAH-UHFFFAOYSA-N	305.230	3.580	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(F)c1	296076934	YGEGPOGAHFCPOM-UITAMQMPSA-N	301.239	3.651	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc(OC(F)F)c1	381898007	GMCQGHJAUJSPGG-UHFFFAOYSA-N	300.305	3.537	50	20	DHGD	
CCCN(N=C(C)c1cccc(CO)c1)C(=O)OC(C)(C)C	495594459	MSHKRNGRZWVYKA-UHFFFAOYSA-N	306.406	3.550	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@@H](C)C2	728440858	WQBHGNRPQRSTOC-WIJRQFRKSA-N	313.397	3.931	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1csc2ccccc12	729964493	BJLGHPZWXPIMIE-ZGSOTFDTSA-N	300.383	3.522	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(O)c(Cl)c1	734094177	HKHXPVIJNFVKSZ-UHFFFAOYSA-N	318.804	3.588	50	20	DHGD	
CN(NC(=O)Cc1c[nH]c2ccc(Cl)cc12)c1ccccc1	740075804	MGXVHFHUNAUQKC-UHFFFAOYSA-N	313.788	3.531	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	742035330	HQRLQZCGIBPTGR-CYBMUJFWSA-N	324.852	3.636	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)CCOc1ccccc1	747059334	LQYSLDMROMTOKO-UHFFFAOYSA-N	310.397	3.580	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NN(C)c1ccccc1	757847821	PGFLSZXOPQRZFN-UHFFFAOYSA-N	300.427	3.968	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1ccsc1	760209127	FKAWOSNOTWZVDN-OQLLNIDSSA-N	305.362	3.724	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1cc(C)ccc1F	761581035	MOTJQBRCRLJBIG-MRXNPFEDSA-N	308.397	3.705	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNc1c(C)cccc1F)CC2	771319845	OXBJGHPRTUYFID-INIZCTEOSA-N	313.376	3.756	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1ccc(Cl)nc1	778237649	URYKZJAVPBNMEW-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1cc(C=NNC(=O)c2c[nH]c3ccccc23)ccc1Cl	779758541	UNTANWWVDCRGFG-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)c2ccccc21	781074997	LWWQMRYDCDZRJH-ZWNOBZJWSA-N	310.235	3.946	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(O)c1	787135007	NVUYGIKBSAFVOZ-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3nc(C)n(C)c3c2)c(C)c1	793707000	RHNZVBOSYNZDKR-UHFFFAOYSA-N	322.412	3.564	50	20	DHGD	
Cc1cccc(C(=O)NN=C(CC(C)C)c2cccs2)n1	794564688	NXFVYGPOBCCUJY-UHFFFAOYSA-N	301.415	3.632	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(F)ccc1OC	799407445	UGUDXOCVAWWQSW-UHFFFAOYSA-N	317.364	3.854	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCCF)c(C)n1CC(C)C	803234335	JBAIBDSTQLCNPZ-YVLHZVERSA-N	320.408	3.961	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNc1ccc(F)cc1)CCC2	807615615	GFPSZEMVLVMTLV-KRWDZBQOSA-N	313.376	3.838	50	20	DHGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNc1ccc(Cl)nc1	810461428	ZDFJWHSGIPPXOY-XFXZXTDPSA-N	301.777	3.590	50	20	DHGD	
C[C@@H]1N(Cc2ccc(OCCCCl)cc2)CCOC1(C)C	811465114	CAESLGUPXQDSLQ-AWEZNQCLSA-N	311.853	3.694	50	20	DHGD	
CCCC1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCC1	819747025	IRZAPGIQHZHQJV-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(N)nc2)cc1	821027726	JDZGHDFQKWXQJF-WJDWOHSUSA-N	320.396	3.552	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(F)(F)F)[nH]2)cc1	837052887	GEILRGLGYOHIOP-UHFFFAOYSA-N	311.307	3.914	50	20	DHGD	
Cc1ccc(C(=O)NCC(Cl)Cl)c(Cl)c1Cl	837648088	NNFBGTLMDKMENW-UHFFFAOYSA-N	301.000	3.835	50	20	DHGD	
COC(C)(C)CC(=O)NNc1ccccc1Cc1ccccc1	846461836	PNVVYXQOQBUXRV-UHFFFAOYSA-N	312.413	3.536	50	20	DHGD	
Cc1ccc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cn1	852523976	MZLCFFWRJRVPAC-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
CCC(CC)CC(=O)NNc1cc(C#N)ccc1Br	855617524	WWIWADSMOPABEK-UHFFFAOYSA-N	324.222	3.590	50	20	DHGD	
Cc1c([C@H](C)NC[C@]2(C)C[C@@H]2Br)cnn1C(C)C	857082424	NROZVOYYNPEMMP-BPNCWPANSA-N	314.271	3.597	50	20	DHGD	
Cc1ccc([C@H](C)NC[C@@]2(C)C[C@H]2Br)c(O)c1C	857083771	ZTQWKYQUNFGRSS-NJZAAPMLSA-N	312.251	3.833	50	20	DHGD	
O=C(CCc1cccs1)OC[C@H](CBr)C1CC1	859456601	NCZZRJRYMRQTAP-NSHDSACASA-N	317.248	3.645	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@H]2C[C@H](C)c3c(C)cccc32)n1	862520601	HAZCFMAHKAEXNQ-DZGCQCFKSA-N	309.413	3.823	50	20	DHGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@]2(C)C[C@H]2Br)C1	906227434	SFRUBFBTPKCSOJ-RBDSIQFVSA-N	314.267	3.587	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=CC2CCCCC2)cc1	916338064	PWKIHKKINGWZDD-CQSZACIVSA-N	318.417	3.535	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C(C)C(C)C)cc1OC	916348721	QDLOWMZYUWAZIH-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
CN(NC(=O)N[C@H]1CCSc2ccccc21)c1ccccc1	918780645	FWLIKCNZICPXRQ-HNNXBMFYSA-N	313.426	3.574	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)c1ccc(Cl)nc1	920375242	QPSUKWHXLJJSHM-UHFFFAOYSA-N	315.804	3.782	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccc(C2CC2)nc1C	928336780	CFAIEGLYQYFEIN-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1C1=CCCCC1)C1CCOCC1	1330895210	CDMUELDOLRKOIK-MRXNPFEDSA-N	304.434	3.576	50	20	DHGD	
O=C([C@H](F)Cl)N(Cc1cc(F)ccc1F)C1CCCC1	2088604425	JUNAOILBVHQQEM-ZDUSSCGKSA-N	305.727	3.770	50	20	DHGD	
C=C(C)COc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OC	57770271	CLAOPWSVSGBWMK-NVNXTCNLSA-N	315.369	3.509	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)Nc1nccs1	179368375	XZSLEHFCLQFUJP-DHZHZOJOSA-N	309.350	3.743	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3ccc(F)cc3C)coc2c1	119084176	LYVDMXVITXDRTC-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnc3ccccn23)c1C	119138595	LSGFCGJEVIZSRJ-XNTDXEJSSA-N	301.349	3.741	50	20	DHGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)c1ccccn1	174164320	CALFQKILQSDVRZ-PTNGSMBKSA-N	300.321	3.728	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cncc(Br)c1	184756748	DLAPNGJDOULFKL-IUIMMGEKSA-N	307.191	3.756	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	212025034	VJRKTZUREMMUNI-GHXNOFRVSA-N	323.776	3.607	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccccc1OC)c1ccccc1	188580648	DDJYYNDHUYTBEX-MTMYEVCSSA-N	320.392	3.870	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2ccnc3ccccc23)cc1	133610567	ICIONKJJWXNRPT-UHFFFAOYSA-N	319.408	3.964	50	20	DHGD	
Clc1cccc([C@H](CBr)O[C@H]2CCOC2)c1	82454962	FSITWVPEAMHKIT-RYUDHWBXSA-N	305.599	3.582	50	20	DHGD	
N#C/C(=C\c1cccnc1)C(=O)c1ccc(Br)s1	254958382	PRIHZGSSFBXILO-UXBLZVDNSA-N	319.183	3.695	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2cc(F)ccc2C1	255419238	JGQRRMQYAPJBRL-CNHKJKLMSA-N	323.327	3.657	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cocn1	267142224	KVHBUFLAAKCVIV-UHFFFAOYSA-N	301.371	3.625	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCOc2cc(O)ccc2C1	808759994	ZBRDKRUUSFDMKW-UHFFFAOYSA-N	323.509	3.608	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2C[C@H](C)CC(C)(C)C2)c1	294047340	XZFXFKIWOINFRF-JSGCOSHPSA-N	317.433	3.551	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)[C@@H](C)CCCCC(=O)O	814688252	QACZNKIYOWHYBB-NSHDSACASA-N	324.808	3.727	50	20	DHGD	
CO[C@H](C1CC1)[C@H](C)NCc1ccc(OCCCCl)cc1	825098622	LTDOLWLLJKNJAV-GUYCJALGSA-N	311.853	3.597	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	727689455	QBQHSTWIKPEKIJ-TVFCKZIOSA-N	310.441	3.938	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc(O)c(F)c2)cc1	828101780	XHCIFCHAWCUMOK-UHFFFAOYSA-N	316.376	3.515	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(C(F)(F)F)[nH]1	827180980	QPAGOFZLWAUGEY-UHFFFAOYSA-N	323.318	3.669	50	20	DHGD	
N#C/C(=C/c1cccnc1Cl)C(=O)c1cc(F)cc(F)c1	588598289	PMEUIFYPIOMDCN-WCIBSUBMSA-N	304.683	3.803	50	20	DHGD	
CC(C)=C[C@H]1[C@H](C(=O)NNc2nccc3sccc23)C1(C)C	734248293	OXTAIGWZXUUDQG-GXTWGEPZSA-N	315.442	3.978	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCCCCC(=O)C2)cc1	837053652	RBFIFWUSNKKNHW-OAHLLOKOSA-N	302.418	3.793	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(F)cc2)c1C	915856578	ULXMGHVHHUAJIM-WJDWOHSUSA-N	324.355	3.869	50	20	DHGD	
CCOC(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916268057	HGBAOFSDOKKEPY-UHFFFAOYSA-N	324.793	3.620	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c(C)nn(C(C)(C)C)c2C)c1	748419223	SIHUUEFTUPWBMQ-UHFFFAOYSA-N	314.433	3.629	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2C)c(C)o1	748744305	OFFQOBFMUANOOE-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
O=C(NN=C/C=C\c1ccco1)c1cc2ccccc2cc1O	916662031	UVHIJFURHVRNQZ-KDYIHULFSA-N	306.321	3.567	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C[C@@H]1CC=CCC1	916345713	BRFQKVVXILQTHX-CYBMUJFWSA-N	306.406	3.766	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3cc(F)c(F)c(F)c3)nc12	741473227	OQKDIQHZSQCKTH-ONNFQVAWSA-N	314.270	3.748	50	20	DHGD	
O=C(Cc1ccccc1Cl)NNc1cccc2c1CCCC2	748589525	YGRHFXUXMLZPII-UHFFFAOYSA-N	314.816	3.905	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccc(Cl)nc2)c(Cl)c1	748789616	WMZUVOJSFVRYOE-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
CC[C@H](C)C[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1	844031363	QWYKHOYBNMWVDH-BFHYXJOUSA-N	319.536	3.614	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2ccc(F)cc2OC)cc1	846642258	AHVZLLOUHUDUEI-UHFFFAOYSA-N	316.376	3.934	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1nc(C(F)(F)F)cs1	755859825	MITAETRAYRHUFX-IUCAKERBSA-N	321.368	3.821	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CCCCS2)cc1	753256793	ZJWOJULWXCWWMK-HNNXBMFYSA-N	321.490	3.896	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCO[C@H](C)CC(C)C)c(C)c1	755829261	WLGIVSLJARUZLM-MRXNPFEDSA-N	306.450	3.896	50	20	DHGD	
CCNC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)s1	920824640	CFRFOMXETINYAN-UHFFFAOYSA-N	307.806	3.722	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1cc(F)cc(Cl)c1	855618965	XPRWOKJTSFFTJO-CQSZACIVSA-N	314.788	3.660	50	20	DHGD	
Cc1nccn1CCCN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852525117	UDFJAFWBTCWRNA-MRXNPFEDSA-N	323.557	3.678	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccncc2)cc1	757680925	XKIKQVOSRIEURQ-MTOJCTJASA-N	322.364	3.692	50	20	DHGD	
CN(NC(=O)c1cccc(C(F)(F)F)c1F)c1ccccc1	751058837	MVOUJXCJCLFERD-UHFFFAOYSA-N	312.266	3.626	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	865220781	PZSBXMFNDMSJMV-JTTRITNRSA-N	307.296	3.575	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccc(Br)cc1	769607029	XRYNXTIYFGZKLJ-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
CC(C)CCN(CCC#N)C(=O)[C@H](Br)C(C)(C)C	767959246	IQOOYAAYGKBVGI-LBPRGKRZSA-N	317.271	3.584	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C[C@@H]1CCC[C@@H](C)C1	768349345	JXSVWLPMQVBTHA-HZSPNIEDSA-N	306.381	3.521	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCCC[C@@H]3C)n[nH]2)c1	764789357	HMBRLFWHFLPEKG-AWEZNQCLSA-N	324.428	3.989	50	20	DHGD	
CCc1ccc(C(=O)NN=CCCc2ccc3c(c2)CCO3)cc1	774340619	GKXISTBMJVJAFL-UHFFFAOYSA-N	322.408	3.532	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1ccc(Cl)cc1Cl	773481585	KGVCFAHMCNRMOU-QMMMGPOBSA-N	307.246	3.968	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2ccccc2Cl)cc1	778932098	OJBVOGHOONKAIK-ZDUSSCGKSA-N	302.805	3.970	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(Br)c2)[C@@H](C)C1	783850238	QHMRAURUAJUEKF-QWRGUYRKSA-N	323.234	3.991	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCCSC2)cc1	780841379	PBFQMOPRHYGUFD-CQSZACIVSA-N	307.463	3.506	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1csc(C2CC2)n1	785366949	RAXXWZZZOUEYMB-RIYZIHGNSA-N	310.378	3.671	50	20	DHGD	
CC(C)C(C=NNC(=O)[C@@H](C)Oc1ccccc1F)C(C)C	788978696	QTNQOTAUPNQBSX-CYBMUJFWSA-N	308.397	3.623	50	20	DHGD	
CC(C)CCO[C@@H]1CCN(C[C@H](CBr)C2CC2)C1	701846841	YLQJGGPPERQBTM-LSDHHAIUSA-N	318.299	3.545	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CC[C@@H](c2ccc(F)cc2)C1	792319936	GJGKTDKHVFEBFC-RHSMWYFYSA-N	313.376	3.788	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cccc(-c2ccccn2)c1C	791223209	YJXFVYWSEMAYRS-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)C1CCOCC1	794957994	HVBSRUQSAILPDM-XDHOZWIPSA-N	318.376	3.651	50	20	DHGD	
CCCC[C@@H](CC)CNC(=O)NNc1ccc(C(C)(C)C)nn1	1318580580	FFKVGBXDSZUJLC-CYBMUJFWSA-N	321.469	3.617	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(-c3ccccc3)no2)ccc1F	1319686754	OSXKVZHVSGABQZ-ZROIWOOFSA-N	321.311	3.948	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@@H]2CCC[C@H](C)C2)cc1Cl	1321768895	OQMAHSLSGXIMLO-SMDDNHRTSA-N	310.825	3.687	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2cc(C)ccc2F)cc1	150816874	LWOXRGLIZIRHIY-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1	153156683	FZQWGIXNMVLIPJ-UWVGGRQHSA-N	304.287	3.638	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCC[C@@H]2CCSS2)cc1	155402884	BARWMWDYJBBNDD-CQSZACIVSA-N	321.471	3.715	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(Cc1cccc(Cl)c1)C(C)C	159519305	WZFDAFVRJVCJNX-KAMYIIQDSA-N	306.793	3.521	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)cc1	208499906	ABNMUSIRQJSXLY-MDWZMJQESA-N	312.756	3.900	50	20	DHGD	
Cc1cnc([C@H](NC[C@@H](C)CBr)C2CC2)s1	152825559	XRBBUEJVWPJFBH-GZMMTYOYSA-N	303.269	3.523	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)c(C)c1	26989586	VCMHNGUYVRSORC-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)sc2ccc(F)cc12	103196593	HTJYHBYHIXRPQH-UHFFFAOYSA-N	322.405	3.546	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNc1cccnc1Cl	128526203	ZLAUYFIOKACULP-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ccncc3Cl)cc2c1C	154658702	QHKJLCFNIAPBFO-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CCOC(=O)CC[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	162156374	MOFVTEOOFOMDBS-IQFISFIMSA-N	312.413	3.606	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCCN(c2ccccc2)CC1	175413971	POSVOQJXWITZMJ-JAIQZWGSSA-N	321.399	3.902	50	20	DHGD	
CCc1sc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1C	175495639	PCGJJAKOBXCQPZ-UHFFFAOYSA-N	314.332	3.793	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C(C)(C)c2ccccc2C)c1	178590202	YAKRYVZSZFKTRN-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
N#CC1(C(=O)NNc2ccc(Cl)cc2Cl)CCCCC1	178885461	HOHAQQCPAWYKHE-UHFFFAOYSA-N	312.200	3.911	50	20	DHGD	
CCCCOc1ccc(NC(=O)NNc2ccncc2)c(C)c1	183074382	ZGHQKFQNRQXFQP-UHFFFAOYSA-N	314.389	3.718	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cccc(O)c3)n2)cc1	212180150	LCFSVKWIUVWZDH-DHDCSXOGSA-N	303.321	3.815	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(CC)o2)n1	268387860	FDAWLYHFOPCBPA-JXMROGBWSA-N	302.355	3.539	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc(Cl)ccc1Cl	276343702	SMXYTYDZHWCGMX-YRNVUSSQSA-N	304.198	3.683	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)cc1	301398507	HPTNOCNKBLXNNK-VKAVYKQESA-N	312.413	3.927	50	20	DHGD	
O=C(/C=C\c1ccsc1)NNc1ncc(Cl)cc1Cl	492703001	HKFPLSQLWARUOK-UPHRSURJSA-N	314.197	3.606	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)s1)NNc1cccc(Cl)n1	492885256	CQKONXFRXGXOMG-ALCCZGGFSA-N	314.197	3.606	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2cccc(F)c2)c1OC	588597742	XBPZVXCJSRZRLD-ZROIWOOFSA-N	311.312	3.633	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)s1)C1CC1	725712958	BFZUHJOPEKJDGD-UHFFFAOYSA-N	304.802	3.929	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(Br)c1	726430525	TXTBWSVJSIVOEA-QVIVLVACSA-N	322.202	3.980	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Br	734253224	PDQHDRYAIWYHCT-GMXVVIOVSA-N	323.234	3.637	50	20	DHGD	
CCC[C@H](NC(=O)NNc1c(F)cccc1F)c1ccccn1	735760098	LUWSQDAMUNDSMJ-AWEZNQCLSA-N	320.343	3.527	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CCOC1	741758380	WUAKUXRNBOUYDY-CQSZACIVSA-N	320.458	3.549	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccc(CC)cc2)C12CCCC2	743427383	NYWFYVOOKJRIRH-KRWDZBQOSA-N	314.429	3.704	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(Cl)cc2Cl)cc1	748008432	LBCBRESLTOTDGK-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CC(C)N(C)CC1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	750797098	WJRPLBJMHJCKFU-UWVJOHFNSA-N	315.436	3.742	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(C#N)s1)c1ccccc1	762449885	PDUJYYCEWCHSCJ-OAHLLOKOSA-N	311.410	3.654	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1cccc(-n2cccc2)c1	770013996	MNCAPOAOFGCKCB-UHFFFAOYSA-N	310.332	3.765	50	20	DHGD	
N#C/C(=C\c1ccc2cnccc2c1)c1nnc2n1CCCCC2	779752958	SYJZISHKRQMWSH-GZTJUZNOSA-N	315.380	3.617	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1OCCOC(=O)/C(C#N)=C/c1ccccc1	785345387	OJEZHQNMUKLFPE-XFSYSBBGSA-N	313.397	3.732	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2ncccc2C)cc1	791224179	QCXOCLOJCYWLDV-UHFFFAOYSA-N	313.401	3.716	50	20	DHGD	
COc1ccccc1-n1nccc1/C=C(/C#N)C(=O)C1CCCC1	797398410	MUROKSHEDBZVQZ-QINSGFPZSA-N	321.380	3.547	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(CC#N)cc1	799381928	CFKZUGQIOVWZMX-UHFFFAOYSA-N	308.385	3.772	50	20	DHGD	
CSc1ccccc1[C@H](C)NC(=O)NNc1ccccc1	799661106	MELGWAPBWDLBQO-LBPRGKRZSA-N	301.415	3.796	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](C(C)C)c2ccccc21	807233906	QFKZNUIZWDPPOB-CYBMUJFWSA-N	310.488	3.967	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)cc1C	809145678	CTNQUGLHDUYMJZ-LICLKQGHSA-N	305.333	3.792	50	20	DHGD	
N#C/C(=C/c1ccc(C2CCCC2)cc1)C(=O)N=c1cc[nH]cc1	812243986	XOZGLJDHBKZMLQ-AQTBWJFISA-N	317.392	3.707	50	20	DHGD	
CO[C@@](C)(CNC(=O)CCCC[C@@H]1CCSS1)C1CC1	812553885	IYRMWSABJITLFX-HIFRSBDPSA-N	317.520	3.632	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CC[C@@H](Cc3ccccc3)C2)cc1	814823187	CXPLZGXIOJBUJA-KRWDZBQOSA-N	317.392	3.687	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2ccccc2C(F)(F)F)CC12CCCC2	822362725	CGIVDAFMVKHSIT-OAHLLOKOSA-N	323.318	3.623	50	20	DHGD	
CC1(C)CCC[C@H]1N(Cc1ccccc1)S(=O)(=O)CCl	830803946	SFXGUBKTCQZAQE-CQSZACIVSA-N	315.866	3.593	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc(Oc2ccccc2)cn1	834957892	WAIIBQBENBYZGE-UHFFFAOYSA-N	309.369	3.514	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)cc1	837059525	VFNZQICCZRRGGT-XJKSGUPXSA-N	316.445	3.895	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@@H]1CCCCC1(F)F	837679179	QLNCWNLDBUUKQZ-LTBFUDJGSA-N	305.324	3.962	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1F	844547600	HHBQQHZWPDWMCI-DELQEKLWSA-N	305.349	3.755	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1cc(F)cc(F)c1	857082763	QQBHMXFECKBTOE-HJIKLVIJSA-N	304.178	3.789	50	20	DHGD	
C=CCC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCCCC1	857385657	KCQBXCPMGOWEIY-GXTWGEPZSA-N	314.267	3.803	50	20	DHGD	
CN(NC(=O)OCc1ccccc1)[C@H]1CCc2ccc(F)cc21	859387182	RNGNYZCFDOCGIJ-KRWDZBQOSA-N	314.360	3.586	50	20	DHGD	
C[C@@]1(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	861887771	YCVNMIZYCJKMTO-AMJWSMQMSA-N	323.780	3.518	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2F)CCO1	871271501	QEHWABPHZGKDOT-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
COc1cc(C)c(NC(=O)NCC(Cl)Cl)c(C)c1C	879569514	QYJNMXDFLUCNLJ-UHFFFAOYSA-N	305.205	3.546	50	20	DHGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@H]2Br)[C@@H]1c1ccccc1	906387943	IGZNOHLXNBHNBN-XJKCOSOUSA-N	322.246	3.770	50	20	DHGD	
CCOC(=O)NN=C(C)c1cccc(OCc2ccccc2)c1	915934447	DLPSPVCWMNELOY-UHFFFAOYSA-N	312.369	3.736	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1	915936234	RDAJSVPCVMIMCP-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=CCCc2ccccc2)c1C	916337005	WEQXIWNKAYRMRM-QGZVFWFLSA-N	324.424	3.806	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CCCC[C@@H]2C)cc1	916337211	DCFWLDYNTRDDFV-UONOGXRCSA-N	318.417	3.535	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1)c1nc(N)c2ccccc2n1	1115838230	MVECUAJWTICMSI-XFXZXTDPSA-N	306.756	3.930	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)c1ccc(F)c(F)c1	1320012145	SKRWDCUSBSHAKI-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(OC(F)F)cc1	8237962	LKPVWCWAACNUIX-XYOKQWHBSA-N	303.264	3.979	50	20	DHGD	
COCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	42195508	YLSCOKDRQNAIQO-UHFFFAOYSA-N	311.596	3.517	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NNc1ccc(Cl)cc1	120388660	CYOKZDKTUCYERS-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccc(Cl)cc2)s1	130252295	FAQRTSQVVABXGE-UHFFFAOYSA-N	322.817	3.816	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155721477	OBQXPVCAGKDJCG-UHFFFAOYSA-N	322.412	3.551	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cccc(C(F)F)c1	159090730	IHVYVOWRTRVEQK-UHFFFAOYSA-N	322.271	3.681	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc3cc(F)ccc3s2)cc1	178942394	YJVFWNZOWBEKCY-UHFFFAOYSA-N	311.341	3.669	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](Cc1ccccc1)c1ccccc1	178953713	NSAXKMLOQAYCKX-LRXXLLMYSA-N	320.392	3.531	50	20	DHGD	
CC(C)(C)Sc1cc(C(=O)NNc2cccc(F)c2)ccn1	182600671	OMHLRUXZUWXBMV-UHFFFAOYSA-N	319.405	3.868	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1ccc2ccccc2c1	184289429	BUZVQMYACHXDGG-UHFFFAOYSA-N	308.356	3.973	50	20	DHGD	
N#CC1=CCN(CCOC(c2ccccc2)c2ccccc2)CC1	272654827	NOXRLUHGVHTOQD-UHFFFAOYSA-N	318.420	3.948	50	20	DHGD	
CCOC(=O)/C(C#N)=C\NCC1CCC(c2ccccc2)CC1	730996552	RNXMRDHEVPSYMK-JXAWBTAJSA-N	312.413	3.521	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1C	731314900	XQTATKOAHRSJPI-UHFFFAOYSA-N	323.371	3.698	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1ccc(SC)cc1	731488226	ZWPVFAPUOIZXKN-UHFFFAOYSA-N	314.410	3.571	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc2c(c1)OCO2	731923766	ZSGULGGBFFWDER-UHFFFAOYSA-N	316.401	3.882	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1cc2cc(F)ccc2o1	741761150	HARHFYWIZBLZDY-UHFFFAOYSA-N	310.328	3.655	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)c1ccc(C#N)cc1	747049229	IVJXBUSKRZUQKH-UHFFFAOYSA-N	305.381	3.605	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)Nc1cccc(C(C)C)c1	758160135	SIRJAMOYVMJTTO-UHFFFAOYSA-N	311.385	3.585	50	20	DHGD	
Cc1ccccc1C1(C(=O)N2CC=C(C#N)CC2)CCCCC1	760002643	ASTOIGYXJKMZEU-UHFFFAOYSA-N	308.425	3.879	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC(C(F)(F)F)CC2)c(O)c1	766018140	YPWVOGOBMMGMJE-UHFFFAOYSA-N	314.307	3.539	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1cccc(Cl)c1	767026686	JMGCFZLCOKXHNA-WFASDCNBSA-N	310.825	3.769	50	20	DHGD	
C[C@H]1c2c(F)cccc2CCN1C[C@@H](C)CBr	770651716	CLCZZTBPJAJEHC-QWRGUYRKSA-N	300.215	3.776	50	20	DHGD	
C[C@H](C(=O)NNc1cc(Cl)ccn1)c1cccc(Cl)c1	778451212	NUZCDKOUAHCNBA-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2c(Cl)ccc3cccnc23)o1	781125469	OMLMPNBGECDJFR-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(C)cc2C)c1	786056195	NFWQYPAQQDVEDH-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
O=C(CC1(C(=O)O)CCC1)NN(c1ccccc1)c1ccccc1	788716311	VFHLEXLFGMCKTP-UHFFFAOYSA-N	324.380	3.501	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc(F)c2[N+](=O)[O-])cc1	790588122	BQYCYMHHKNBQGO-UHFFFAOYSA-N	317.320	3.614	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1oc2ccccc2c1C	791014960	ACRYEWDHNWDTBJ-ZDUSSCGKSA-N	324.384	3.832	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1c(F)cccc1F	792258411	DHAJYBUPUHEMGF-UHFFFAOYSA-N	322.380	3.731	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	794881850	DTEFKAMLAZHJJU-SJWLEHQBSA-N	323.314	3.917	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1ccccc1F	794940105	WIUPKGPBRHZXMG-ZSOIEALJSA-N	323.323	3.931	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c[nH]nc1-c1ccccc1	799757692	FQYYMTAIQXODQG-UHFFFAOYSA-N	320.396	3.704	50	20	DHGD	
C[C@@H](CC(=O)N(C)CC(Cl)Cl)c1ccc(F)cc1F	808248074	BFAWSJQPYSMQGG-QMMMGPOBSA-N	310.171	3.721	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccccc1C#N	814727893	CYXYLLABKFDUEF-UHFFFAOYSA-N	321.424	3.615	50	20	DHGD	
CCC(C)(C)C1CCC(CC(=O)NNc2ncncc2F)CC1	817067136	FLWDHUHXJUWQKF-UHFFFAOYSA-N	322.428	3.692	50	20	DHGD	
O=C(NNc1ccccc1)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	819408733	CJNTWOVEXJPKGZ-OQSWDALSSA-N	312.335	3.744	50	20	DHGD	
CC(C(=O)NNc1ccc(Br)cc1C)=C1CCC1	827527078	XNNVVAANSRQZQG-UHFFFAOYSA-N	309.207	3.701	50	20	DHGD	
Cc1ccccc1[C@@H](C)N(CC(C)C)S(=O)(=O)CCl	831425280	ASKVXTWWADPFCJ-CYBMUJFWSA-N	303.855	3.540	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Cc2cn(C)c3ccccc23)cc1	837055695	KKXIBXFVJMCGDI-UHFFFAOYSA-N	321.424	3.988	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCCC2CC(F)(F)C2)cc1	838734935	KSSMJZLKDSWSKM-UHFFFAOYSA-N	311.376	3.872	50	20	DHGD	
C[C@H](N)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179042	JICUAFOHAGZMQZ-ZETCQYMHSA-N	319.299	3.813	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1nnsc1Cl	844346394	NEZLEAKUWAAIAB-UHFFFAOYSA-N	321.950	3.645	50	20	DHGD	
ClCCCOc1ccc(CNCC2SCCS2)cc1	850401957	LJCRUZJPFCCWPG-UHFFFAOYSA-N	317.907	3.590	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@H]2C[C@H]3CC[C@H]2O3)C1	852524108	NSILJJREMCISTG-KLHDSHLOSA-N	311.542	3.650	50	20	DHGD	
Cc1ccc(NNC(=O)C2(Cc3ccc(F)cc3)CC2)cc1F	856228616	YTNFMEFHCXSNPF-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
CC(C)(C)[C@@H](NC[C@@H](CBr)C1CC1)C(F)(F)F	859237374	HGDCDNIQBOFCNV-NXEZZACHSA-N	316.205	3.974	50	20	DHGD	
C/C(=C/C(=O)OC[C@H](CBr)C1CC1)c1ccco1	859736942	JUHKTGGRPQHHBW-UMAGTOLTSA-N	313.191	3.647	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)[C@@]1(C)C[C@@H]1Br	907588941	COGBDZNGTHABDN-JSGCOSHPSA-N	307.191	3.588	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1cccs1	916339629	IDMUBUOTJPTKMP-LLVKDONJSA-N	320.389	3.585	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(C)cc1O	1115818923	ONTFPBNHKRJVCF-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	1776036018	VZJNKYPLXOYXQI-ZDUSSCGKSA-N	324.380	3.548	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1	33470865	BYTBBTSVERILRW-DHDCSXOGSA-N	321.760	3.817	50	20	DHGD	
Cc1cccc(-c2nc(CC(=O)NNc3ccccc3)cs2)c1	72702616	CEDFQABPOOBRJI-UHFFFAOYSA-N	323.421	3.804	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	132129446	FNVGPICRCPAUBI-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccccc2F)cc1	153198606	RGYLYVLVQDESOX-GFCCVEGCSA-N	302.349	3.760	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)NC(C)C)s2)cc1	172043734	IYSBISMYDSZQGT-RIYZIHGNSA-N	311.410	3.550	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc2c(c1)CCCC2	175509172	DHXDEFOUBGWYCO-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	179074496	KXJOHPAKHKPSAV-NSHDSACASA-N	312.360	3.948	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(F)ccc1C	182052810	OZJZPPMYRDOZRH-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CN(C)CC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184163621	JIWDDJNZPXUOTM-UHFFFAOYSA-N	304.284	3.844	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1C	194518734	WQJKXZVGYDMTPB-MHWRWJLKSA-N	306.365	3.858	50	20	DHGD	
CC(C)CC[C@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194771655	JBFQUYLWIUQGMY-TXQCQQFXSA-N	312.413	3.726	50	20	DHGD	
COc1cccc(C)c1NC(=O)NNc1ccc2ccccc2n1	195002516	FXCWCJIKJKYTCV-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccco2)cc(Cl)c1O	212655170	FKEXNYVAZDPERJ-WDZFZDKYSA-N	317.728	3.827	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC1[C@H]2[C@H]3CC[C@@H](C3)[C@H]12	247620088	SZCXBZFOPAVYCH-QIRZIZBZSA-N	311.516	3.861	50	20	DHGD	
CCn1cc(/C=C(/C#N)c2nc3ccccc3n2C(F)F)cn1	255836194	OOQJOHVJTIJPDX-GHXNOFRVSA-N	313.311	3.712	50	20	DHGD	
CC(C)CC(=NNC(=O)c1cccc(C#N)c1)c1cccs1	728780966	HFLJBVRUEQNOFN-UHFFFAOYSA-N	311.410	3.800	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)o1	732767194	VGQQNAAMMJUDJJ-MLGOLLRUSA-N	321.380	3.577	50	20	DHGD	
CC(C)Oc1ccc([C@@H](C)NC(=O)NNc2ccccc2)cc1	734264896	HCOZXOQZEKZXNL-CQSZACIVSA-N	313.401	3.861	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	748710425	VCYYJIYKXOGQFL-UHFFFAOYSA-N	318.339	3.897	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ccc(Cl)cc1	750666874	UGMBFIJYETZYMU-NTEUORMPSA-N	313.740	3.696	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2ccccc2F)cc1	752143059	XTFGPGZIUXPVMI-UHFFFAOYSA-N	304.390	3.624	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)c1cc(-c2cccs2)[nH]n1	752733177	HJPKMWOSEHBMOS-UHFFFAOYSA-N	316.430	3.824	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)c2c[nH]c3ccccc23)s1	758357948	DALIFJIEVSYWCA-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)c2ccncn2)ccc1OC	758910196	FAKIYIQBAHFNNW-NCPSJORJSA-N	309.369	3.727	50	20	DHGD	
CCCC(CCC)=NNC(=O)c1cc(-c2cccs2)[nH]n1	764786353	PBMHHRNOALPSJS-UHFFFAOYSA-N	304.419	3.824	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(F)c1F	767878960	WHCVMSSCRBGIBX-SNVBAGLBSA-N	306.150	3.713	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	768118831	ACANZDWOXYRUAN-QQJLWGBUSA-N	324.346	3.716	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CCCc2sccc21	768513783	NQESXMOHDUGYSL-CYBMUJFWSA-N	305.378	3.591	50	20	DHGD	
O=C(NNc1cccc(Br)c1)[C@@H](F)c1ccccc1	769604528	CNYDKWAFRASUFU-ZDUSSCGKSA-N	323.165	3.603	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@@H](c2c(F)cccc2F)C1	770668721	PDTBEJBQKJGCEG-WDEREUQCSA-N	318.205	3.785	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1(F)CCCC1	776106838	COWIIBGYDPLAJX-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C=C(C1CC1)C1CC1	777476542	LBATUISCEXZTJN-UHFFFAOYSA-N	307.397	3.733	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2cc(C)cc(C)c2)cc1C	778392059	ISYHZEVAGLAHIR-CYBMUJFWSA-N	300.406	3.536	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2cc(C)ccc2C)cc1C	778392327	LMOGJEIOLHVWCF-CYBMUJFWSA-N	300.406	3.536	50	20	DHGD	
C=CC[C@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	779009906	FRUUDNDYHRECAM-ZDUSSCGKSA-N	302.324	3.768	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1c1ccccc1C	790876575	QYHVHDPRRDRUQS-AWEZNQCLSA-N	310.488	3.853	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	794954612	VMFACZXTOOLBAW-CKXDQPNJSA-N	303.789	3.805	50	20	DHGD	
CN(c1ccccc1)c1ccc(C=NNC(=O)CC(C)(C)C)cn1	797786663	GRYSFUIFUDEIFO-UHFFFAOYSA-N	324.428	3.736	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCc1sccc1C	799615609	UVFCFPKZYOHSFG-UHFFFAOYSA-N	317.458	3.796	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21	799742029	WGXDSEKEJVHVDI-VOGRQWBCSA-N	312.413	3.650	50	20	DHGD	
COc1ccc2cc(NC(=O)NNc3ncccc3C)ccc2c1	806619851	XLLANDNGQNGAQW-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
Cn1ccc(NC(=O)/C(C#N)=C\c2ccc(C3CCCC3)cc2)n1	812243286	IPPVQQVDABGSGK-ATVHPVEESA-N	320.396	3.623	50	20	DHGD	
O=C(CCCC1CC1)Oc1ccc([N+](=O)[O-])c2ncccc12	813176895	OXHAIHQBKQBLIV-UHFFFAOYSA-N	300.314	3.629	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1c[nH]c2ccccc12	814699055	FEQUTPDIZSWCSI-CQSZACIVSA-N	308.385	3.604	50	20	DHGD	
CN(NC(=O)[C@@H](Sc1ccccc1)c1ccccc1)C1CC1	819643678	JVGXPLUTKHQBOZ-KRWDZBQOSA-N	312.438	3.645	50	20	DHGD	
CC(C)(C(=O)O)[C@@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	833416435	ZXVIVKZEWZJNDR-BRYYZUPOSA-N	316.376	3.513	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc2ccccc2cc1OC	834401462	YDMQALJQTSXMRO-GZTJUZNOSA-N	308.381	3.672	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccc(NC(C)C)nc1	836937642	ZOUUQJOYKKFLKR-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2ccc(C#N)cn2)C1	852525147	URXIKQXNWHAASG-INIZCTEOSA-N	317.509	3.549	50	20	DHGD	
C/C(=C/C(=O)OC[C@@H](C)CBr)c1cccs1	856982210	CRGOECXDDXBCMR-LKJZUNMESA-N	303.221	3.726	50	20	DHGD	
CC(F)(F)C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	897968905	ZUUIYZUWDKXGJX-LLVKDONJSA-N	307.457	3.654	50	20	DHGD	
CC(C)(C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(F)F	912583136	UVAKQMJFQDCQAH-LLVKDONJSA-N	321.484	3.900	50	20	DHGD	
CCCCCCNC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	915882256	GHJYVBZGVAGIEP-UHFFFAOYSA-N	319.449	3.508	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC/C=C\Cl)c1C	916618866	VYTOHTSLHXOORH-OLEVERHUSA-N	306.793	3.718	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)Cn1cnc2ccccc21	917571070	APZZRGZIZKCDNQ-UHFFFAOYSA-N	314.433	3.889	50	20	DHGD	
CCCn1cccc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	918184854	UCBFXFSZHUWYFN-XOAFGZPJSA-N	307.397	3.682	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1ccccc1Br	1253428252	RFCSLSHCSIZQKL-UHFFFAOYSA-N	323.234	3.719	50	20	DHGD	
COCCc1ccc(Oc2ccc(NC(=O)CCl)cc2)cc1	1253963730	YZCMQXAKIIYVTQ-UHFFFAOYSA-N	319.788	3.845	50	20	DHGD	
CCc1ccc(C(=O)NNc2cccc(Cl)n2)cc1CC	1343990410	UPTXEAACYVGEII-UHFFFAOYSA-N	303.793	3.617	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)c2cccc(CCl)c2)CC12CCOCC2	1358306673	PDUGJGCSZOOINE-INIZCTEOSA-N	321.848	3.703	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(C(=O)O)c(Cl)c1	1603320327	AXSXCPYEXLMNMK-WDZFZDKYSA-N	305.761	3.950	50	20	DHGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC(C)(C)O1	68538267	STDFXMMYUPDFIR-OLZOCXBDSA-N	317.520	3.726	50	20	DHGD	
CC[C@H](C)N(C)CCP(=O)(c1ccccc1)c1ccccc1	104686055	IFCUEZJETRDOBE-KRWDZBQOSA-N	315.397	3.731	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3c(F)cccc3F)csc2C1	118517180	HQEPVMLIVUQASK-SECBINFHSA-N	322.380	3.908	50	20	DHGD	
C[C@@H](CSCc1ccccc1)C(=O)NNc1ccccc1	151249204	AAOIVHBXXQUENM-AWEZNQCLSA-N	300.427	3.699	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Oc2ccc(F)cc2Cl)cc1	158734422	RUEJDRDUHLWECX-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2cccc(OC(F)(F)F)c2)cc1	158955781	ATVZVZLMWARCPK-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	170933592	OPSQABWXDFGOEZ-NTEUORMPSA-N	311.362	3.633	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@@H]1C[C@]12CCCc1ccccc12	174636879	CPVLMQILVPIENA-HKUYNNGSSA-N	310.372	3.563	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1cccc(F)c1	193162480	BLWPQLMRVWLFSW-WJDWOHSUSA-N	317.323	3.801	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)CSc2ccc(F)cc21	206207126	DUKIFIWHOKKNMT-VZUCSPMQSA-N	322.792	3.633	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	209221426	UUSVVPQPBNMCHG-XFFZJAGNSA-N	314.332	3.730	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1ccc(F)cc1C	269599670	XEHNUZXIZIAWII-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
Cc1noc(C)c1NC(=O)CCCC[C@@H]1CCSS1	299483098	AOGRHWXCPPRQMT-LLVKDONJSA-N	300.449	3.944	50	20	DHGD	
CC1(C)CCN(C[C@@H](CBr)C2CC2)CCS1	701848995	RYWHEWDNFKDGAR-GFCCVEGCSA-N	306.313	3.625	50	20	DHGD	
CC(C)(C)c1ccc(CCNC(=O)NNc2ccccc2)cc1	734267447	GBFACTPRDLKVGK-UHFFFAOYSA-N	311.429	3.853	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1cccc(Cl)c1Cl	734976701	KUDRYAWDIREBPB-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CCC(=NNC(=O)c1cc2c(s1)CCCCC2)[C@@H]1CCOC1	741838225	QYVDLHIAERHKQM-CYBMUJFWSA-N	320.458	3.549	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1nc(-c2ccccc2)no1	742658554	XADIZTHOAVKHJT-UHFFFAOYSA-N	314.389	3.540	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CC[C@@H]2CCCC[C@H]2C1	747051691	RMCGGYOVAVRQPL-HOTGVXAUSA-N	314.429	3.918	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccc(Cl)cc2F)o1	747643851	RMQVSWKVKWDRRR-NOZJJQNGSA-N	320.751	3.959	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(C#N)cc1	747645938	HPMBRJAINIZTMQ-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1c(O)cccc1Cl	749280969	IRECTXGSWZJJBY-UHFFFAOYSA-N	316.788	3.681	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1C	755508243	MBORSGXGDRVJOJ-PKOBYXMFSA-N	322.408	3.588	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)C(=O)NC1CC1	756788231	SUCCYJXJAOOGHU-SFQUDFHCSA-N	318.376	3.548	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761590588	CFOAMDGKGDAFRY-MNOVXSKESA-N	316.323	3.855	50	20	DHGD	
CO[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	763136608	AHJUIXUHSQNNBL-LBPRGKRZSA-N	308.447	3.548	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1)C1CCCC1	764809688	JYSUPILJWWDMAB-UHFFFAOYSA-N	314.364	3.512	50	20	DHGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNc1ccccc1F	768093091	CNFWBEUFYAZKMQ-ZDUSSCGKSA-N	324.355	3.890	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1nc2ccccc2[nH]1	768507576	RMUXTOKXEBJHIA-ZDUSSCGKSA-N	308.385	3.508	50	20	DHGD	
N#CSCCCNC(=O)c1sc2ccccc2c1Cl	773586611	VYACOVYGWMUQPZ-UHFFFAOYSA-N	310.831	3.889	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCc2c(Cl)cccc21	776232719	YHYJCUFKJBOSID-LLVKDONJSA-N	322.195	3.562	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C#N)C2CCCCC2)cc1	776360484	ALPPKIRHKXCGFW-QIPHDZALSA-N	324.380	3.618	50	20	DHGD	
CC(C)CCn1nccc1NC(=O)NNc1cccc(Cl)c1	779470348	CFAGPJRUWBPMFQ-UHFFFAOYSA-N	321.812	3.731	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H](c2ccccc2)C1	781083281	XMRFINKTEUVIIH-ZIAGYGMSSA-N	324.262	3.812	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)c1	786052159	ZSECKROGJJFWIG-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CCN(Cc1ccccc1Cl)C(=O)NCCSSC	790879915	PTPOIXMSFVQEIF-UHFFFAOYSA-N	318.895	3.883	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H](c2ccccc2)CC1	790880482	LKQCJCDMQYJDCV-OAHLLOKOSA-N	324.515	3.977	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1c(F)ccc(O)c1F	794936869	GFBFORWUTANCSQ-RMKNXTFCSA-N	305.305	3.830	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C(F)(F)c1ccc(F)cc1	799754801	PGSPWEGIMWHMJF-UHFFFAOYSA-N	322.330	3.932	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CC[C@@H](C)CC	803153093	SKEUSOZPZWHCKC-LBPRGKRZSA-N	321.490	3.701	50	20	DHGD	
CCCN(NC(=O)c1ccoc1C(C)C)C(=O)OC(C)(C)C	804594226	QOBXPXTYYYGZIZ-UHFFFAOYSA-N	310.394	3.695	50	20	DHGD	
CC[C@@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@H](C)O1	811458944	SFSAQJQOFPOYMG-GOEBONIOSA-N	311.853	3.694	50	20	DHGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])cn1	812244550	DPWHEJCCJWCFSW-DHDCSXOGSA-N	321.336	3.843	50	20	DHGD	
N#C[C@H]1CCCC(=NNC(=O)CSc2ccc(Cl)cc2)C1	814731907	ONMAGIHJXVMGDW-NSHDSACASA-N	321.833	3.618	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CC2(CC2)C1	814749357	YRBGNSKKKGHOKC-CYBMUJFWSA-N	308.381	3.653	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc2oncc2c1)c1ccccc1	821028496	SRRCMRYLZQIBFZ-WFSQQTBHSA-N	317.348	3.612	50	20	DHGD	
CCCc1occc1C(=O)NNc1nc2c(C)cccc2s1	828358738	PXILSBABTYQRBP-UHFFFAOYSA-N	315.398	3.907	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H]1[C@@H]1CCCOC1	828905703	REQPNQYBBMQYOU-CVEARBPZSA-N	313.558	3.899	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)Nc2ccc(Cl)cc2)CC1	834983852	VIWWPRNDYSUGSX-UHFFFAOYSA-N	304.781	3.921	50	20	DHGD	
CN(NC(=O)CCC(C)(C)c1ccccc1)C(=O)OC(C)(C)C	838370008	GFFFOSKJIIMTHV-UHFFFAOYSA-N	320.433	3.643	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccc(O)c1Br	840715643	QRQUXCHGSNUXCO-JXMROGBWSA-N	308.175	3.677	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2nccc3sccc23)CC1	844134043	GHDLBASJMIOEQR-GFCCVEGCSA-N	301.415	3.876	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(C)c(C)c2)cc1	854657012	SSHRDIFTHKKORA-RBUKOAKNSA-N	324.424	3.949	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2sccc2C)cc1F	856230352	MZWAZOIPUADNHO-OLZOCXBDSA-N	304.390	3.751	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@H]1CC=CCC1	856234195	PFNCHEQWILKFCY-SECBINFHSA-N	307.806	3.749	50	20	DHGD	
CCCC[C@H](C(=O)NNc1cc(C#N)cc(Cl)n1)C(C)C	857168839	LUWXQCLFLYGPQO-LBPRGKRZSA-N	308.813	3.512	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)N2CCCC2)cc1	865220844	ROSJISWSYDUGQK-COYFKBPASA-N	324.424	3.835	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCF)c1nc2ccccc2s1	872437940	UFKDFWKDWQDIKO-SNVBAGLBSA-N	305.378	3.542	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1cc(C)sc1C	915917541	DCJQJXQMUBPMKQ-UHFFFAOYSA-N	315.442	3.626	50	20	DHGD	
O=C(CCN1CCCCCC1)NN=Cc1ccc2ccccc2c1	916355533	LFOYTJAICYZZGN-UHFFFAOYSA-N	323.440	3.556	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1ccc(F)cc1	917143810	QCKUASOCKSIZKZ-PTNGSMBKSA-N	323.323	3.777	50	20	DHGD	
CN(NC(=O)N[C@@H]1CCSc2ccccc21)c1ccccc1	918780646	FWLIKCNZICPXRQ-OAHLLOKOSA-N	313.426	3.574	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)ccc1Cl	928339777	KMNSDCMGQUYMNB-CJNGLKHVSA-N	324.852	3.933	50	20	DHGD	
CCCn1nc(C)c(C(=O)NNc2ccc(Cl)c(C)c2)c1C	928341359	YDVZTZCZNHYHEU-UHFFFAOYSA-N	320.824	3.629	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)c1	1318981833	QMJRTHRLNKIMAA-GXDHUFHOSA-N	316.364	3.675	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2ccc(C(=O)O)c(F)c2)CC1	1604521406	DKKJZZNPNICCHT-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
CC(C)N(Cc1ccccn1)C(=O)c1cccc(CCl)c1	37832514	VIWJKGUKOFVGQD-UHFFFAOYSA-N	302.805	3.871	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1Cl)NNc1ccc(F)cc1	45971597	WZDZKJRPWDEZIB-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CC(C)Oc1ccc(CNC=C(C#N)C#N)c(C(F)(F)F)c1	102319643	DAFZMTGWBFAJKN-UHFFFAOYSA-N	309.291	3.513	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(c2cccc(Cl)c2)CC1	119028516	OKHYJCWLANZSCQ-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2cccc(Cl)c2)c1	120602163	VJTNWIYBSHWICS-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)oc1C	128967429	AKKXYHINNCTSEM-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2ccc(Cl)cc2Cl)s1	151892394	HWSBCSHGBCLRJU-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
C[C@@H](CBr)CN[C@H](C)c1ccc(-n2cccn2)cc1	152794933	VSBRJTZMOKTSTP-QWHCGFSZSA-N	322.250	3.554	50	20	DHGD	
COCc1cccc(NC(=O)NNc2ccc3ccccc3n2)c1	154757216	TWKJEVJIPARNNZ-UHFFFAOYSA-N	322.368	3.530	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2c[nH]c3c(C)cccc23)cc1	158772178	FESZXMKZZZIUMQ-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1	178960469	XRGKBQJTSOBSOG-WYMLVPIESA-N	323.352	3.565	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N(C)[C@H](C)c1ccccc1	193027227	MBQKRPWAAGYMHF-CYBMUJFWSA-N	319.836	3.572	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	195332861	TUCIEWBVHZFMBK-SECBINFHSA-N	317.216	3.581	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(Cl)s1	206205437	XZCYSYYIBBMSLE-UPHRSURJSA-N	301.198	3.733	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2F)cc1	212799859	BEDMFYPEXICJOI-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(F)c(F)c2)cc1	213618264	JRFXOHJTIWZTBC-ZSOIEALJSA-N	319.332	3.612	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	255000972	NSJVBRWTYBFFTQ-WZUFQYTHSA-N	309.300	3.702	50	20	DHGD	
N#C[C@]1(C(=O)NNc2cc(Cl)cc(Cl)c2)CC12CCCC2	295817170	XKYHZYQWHXMUDX-HNNXBMFYSA-N	324.211	3.911	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2)c(C)c1	490815125	ZKBGXSGZRGGBLU-CXUHLZMHSA-N	319.339	3.860	50	20	DHGD	
O=C(/C=C/c1ccsc1)NNc1cccc(Br)c1	492221230	IUVANGHXKVDGCG-SNAWJCMRSA-N	323.215	3.667	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCCO2	727255106	CPCIRECXDBREAZ-CYBMUJFWSA-N	316.401	3.534	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CC(c3ccc(C)cc3)C2)cc1	729816068	AHMYTKGINBCPBN-UHFFFAOYSA-N	322.408	3.732	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2c(C)cc(C)cc2C)cc1	743765144	GOAZRNOVIJYGEI-INIZCTEOSA-N	312.413	3.831	50	20	DHGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)CC1CCCC1	749158515	SVKBHZRIHGLEFZ-UHFFFAOYSA-N	315.442	3.911	50	20	DHGD	
CC(=NNC(=O)C(C)C)[C@@H](C)Oc1ccc(Cl)cc1Cl	749854317	MDUVYYZTHNWULU-SNVBAGLBSA-N	317.216	3.909	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(Cl)nc1)c1cccc(Cl)c1	763355337	CUPVLWRPRMXURJ-SNVBAGLBSA-N	322.195	3.908	50	20	DHGD	
Cc1cc(O[C@H](C)C(=O)N2CC=C(C#N)CC2)ccc1C(C)C	767159815	KLXUEHHWRDROEP-OAHLLOKOSA-N	312.413	3.568	50	20	DHGD	
C#CC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccccc1	768324682	CWHSNYJJSLOUJC-UONOGXRCSA-N	322.246	3.677	50	20	DHGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C2	776625495	PPMLPRDNZCZRLQ-LECAWOSOSA-N	324.424	3.630	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)CCc1ccccc1	780538577	PZKSNGBUDKKOPD-LJQANCHMSA-N	318.461	3.763	50	20	DHGD	
CC(C)(C#N)CC(=O)NNc1c(Cl)cc(F)cc1Cl	784544159	FVAZBSZSCHEDEY-UHFFFAOYSA-N	304.152	3.515	50	20	DHGD	
Cc1ccc(C)c(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)c1	785364808	JMGGMCSABIUZQM-BOPFTXTBSA-N	319.360	3.637	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)ccc2C)c1	786048883	BIKVBKIJUUGRQT-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CSSCCNC(=O)CCOc1cc(C)cc(C)c1C	791100173	PAWIXOGGDUMPBM-UHFFFAOYSA-N	313.488	3.508	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(Oc2ccccc2)o1	791217467	SIPQXNPDVPJCSQ-UHFFFAOYSA-N	309.325	3.532	50	20	DHGD	
Cc1cccnc1NNC(=O)c1sc(-c2ccccc2)nc1C	791225546	REHQFNQOTGDDJD-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791733058	OZVZQGMAGPGLML-SECBINFHSA-N	318.248	3.603	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccccc1COC	799386154	CZLUMRDXBYBMID-UHFFFAOYSA-N	313.401	3.852	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3csc(C)n3)cc2)c1	799839371	WKIRDLBFPMUNTF-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)Nc1ccccc1	801990290	DELXUSBZZXAPHF-AWEZNQCLSA-N	305.422	3.836	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=O)Nc1ccc(Cl)cc1)C(C)C	802022629	OSPIBYGZZDCFPU-NSHDSACASA-N	311.813	3.565	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)Nc1ccc(OC)cc1	802055260	GJHAYFWBXFYCSY-UHFFFAOYSA-N	321.421	3.599	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1sc(Cc2ccccc2)nc1C	814744947	YPWAVWABRHUEHH-UHFFFAOYSA-N	315.442	3.539	50	20	DHGD	
CSCCCC=NNC(=O)c1c(Cl)cccc1Cl	814833399	IBBBZGFPWHVNKM-UHFFFAOYSA-N	305.230	3.852	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(C)n(C(C)C)n1	817357634	DPKWAJMPKFQXOV-UHFFFAOYSA-N	315.421	3.792	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ccc(-c3ccccc3)nn2)CC1	844135827	XOATWEIRDVRJEM-MRXNPFEDSA-N	322.412	3.723	50	20	DHGD	
Cc1ccnc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1	852523964	DQBSJINFQFNESC-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
CCCn1nccc1/C=C(/C#N)C(=O)c1cc(C)n(CCC)c1C	853001715	YEUJSYKOPXVHJO-VBKFSLOCSA-N	324.428	3.911	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)OCC(F)(F)F)oc2cc1C	853430033	VPNSRANMOROLIB-UHFFFAOYSA-N	314.263	3.672	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1CCC2(CC1)CC2	854942925	BNSZYAHTKMKVFH-UHFFFAOYSA-N	322.840	3.667	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2cc(F)ccc2C)cc1	855366499	BHURDGIVIIHXJW-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2ccc(Cl)cn2)c1	856094896	ZEURIXOKRBKTIX-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Br)C1=CCCC1	856232453	KLXZWRCHEAAMRH-UHFFFAOYSA-N	315.598	3.656	50	20	DHGD	
Cc1nc([C@H](C)NC[C@@]2(C)C[C@@H]2Br)c(C)s1	857066170	YNRZDHSKMXOMNR-VIRWGQHYSA-N	303.269	3.584	50	20	DHGD	
C[C@]1(CNC(=O)CC/C=C\c2ccccc2)C[C@H]1Br	857400400	ZHCKYTSLVDRKNO-WWWALOEZSA-N	322.246	3.770	50	20	DHGD	
C[C@@H]1C[C@H](c2cccnc2)N(C[C@H](CBr)C2CC2)C1	859252928	PVPJXBNPWJQPGI-UHOFOFEASA-N	323.278	3.886	50	20	DHGD	
COCCC1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	859402257	UMNABEOYJAFLAM-UHFFFAOYSA-N	301.547	3.757	50	20	DHGD	
Cc1cccc(NNC(=O)CCCC[C@@H]2CCSS2)n1	862525077	DMWQGWUTYBQPEQ-GFCCVEGCSA-N	311.476	3.547	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(F)ccc2F)c(C(C)C)n1	885141473	FATQTAHKCBIJFG-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2ccccc2Cl)cc1	912646646	KIGLFQVQSWMUKJ-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
O=C(Cc1ccsc1)NNc1ccnc2cc(Cl)ccc12	913187708	LFPQZOLBWPWDDK-UHFFFAOYSA-N	317.801	3.636	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](CC(C)(C)C)c1ccccc1	917600737	ABZABDBADZTKHD-UGEDRFTOSA-N	300.402	3.724	50	20	DHGD	
CN(NC(=O)c1ccc(Oc2cccnc2)cc1)c1ccccc1	920340141	JVGKPBPQKWAVIU-UHFFFAOYSA-N	319.364	3.655	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCC1	1117815234	QHZLOLYEOWBWQQ-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1cc(C)ccc1O	1317671419	LGSQIQNTOFTJME-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1nccn1-c1ccccc1	1320700784	VSCWTVYCRGMAJA-DTQAZKPQSA-N	313.360	3.971	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNc1ncccc1C(=O)O	1589642364	PTXHHURTHZUGMP-QGZVFWFLSA-N	321.421	3.610	50	20	DHGD	
CCC(=O)/C(C#N)=C\c1c(F)ccc2sc(C(=O)O)cc12	1776676013	UXAPGYRPPHNYBB-YVMONPNESA-N	303.314	3.625	50	20	DHGD	
C[C@H](NC(=O)[C@@H](C)Cl)c1ccc(Oc2cccnc2)c(F)c1	1887504167	AXQRHMAKAPTSLT-MNOVXSKESA-N	322.767	3.818	50	20	DHGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)NC(C)C)c2C)cc1	6267197	RVFWGTUZHNRLQV-WQRHYEAKSA-N	321.424	3.834	50	20	DHGD	
CCc1nc2cc(NC(=O)NNc3ccccc3F)ccc2o1	92763125	UMQWWQUEDATDPC-UHFFFAOYSA-N	314.320	3.678	50	20	DHGD	
Cc1cc(NNC(=O)c2ccccc2)ccc1Br	114889411	QHMGZSJEGBKLIQ-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc3ccc(F)cc3nc2C)c1	121252598	KWWOTVBAMUUCBS-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)NC(C)C)cs2)cc1	124797958	PRUAGSWZDHCZKD-ZSOIEALJSA-N	311.410	3.550	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCOc2ccccc2F)c1	129266152	UGCAZIXSOYFLKL-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
C[C@@H]1C/C(=C/c2cnn(CCCl)c2)C(=O)c2ccccc21	131133995	HWHXNXIXCYISBL-OJLMPMFISA-N	300.789	3.895	50	20	DHGD	
CC(C)(C(=O)NNc1ccnc2ccccc12)c1ccc(F)cc1	133618633	FIIMJGNIIVFFLT-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(F)c(F)cc1Cl	154450344	DCUGQBKSHLJCKU-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccsc2)cc1	188613081	YRPUHXFDJIQMMQ-ZENNRRHLSA-N	312.394	3.541	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	192096056	KFWCWYZDFHAKIR-LFIBNONCSA-N	307.415	3.553	50	20	DHGD	
Cc1ccccc1NNC(=O)c1ccc(Br)cc1	192735589	OPGZHFOCODJEPL-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
Cn1c(/C(C#N)=C/c2ccc(O)c(Cl)c2)nc2ccccc21	255380540	XSSACIOJNMPXCB-XYOKQWHBSA-N	309.756	3.996	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(OC)c1	263691660	RLJYLADHEVSWKU-VPMLRQHESA-N	309.312	3.819	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1nccnc1C1CCC1)c1ccccc1	287211350	NSNUHONYVOYFAN-AWEZNQCLSA-N	322.412	3.547	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	293661487	JKZRSMHXESCHGH-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)C(C)(C)F)c1	295883071	KLRJEHOXBCDIJI-UXBLZVDNSA-N	313.275	3.521	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(F)c2F)c1	490610891	NTAVNGZHNSPVKL-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	588429914	YIFONHPPISJRBT-VECLJIIPSA-N	324.330	3.544	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCCC[C@H]1c1cc[nH]n1	616616854	YSPCPLHBLNTZDD-HNNXBMFYSA-N	309.530	3.959	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CC(C)(c3ccccc3)C2)c1	729635923	SCCYTDCKVHCAMI-UHFFFAOYSA-N	321.424	3.590	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCC[C@H]2C)c1C	729661588	JVKSGAUSMVJGET-AFBNYWALSA-N	313.445	3.727	50	20	DHGD	
CCOCC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)s1	731152978	YXWJVUZOLNUJCN-UHFFFAOYSA-N	322.817	3.555	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccccc1	741772560	YZNGPFKLNHHZQY-UHFFFAOYSA-N	319.311	3.834	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)Cc1ccc(Cl)cc1	742480548	RMPHEYZJDDCTKG-ZDUSSCGKSA-N	324.852	3.636	50	20	DHGD	
CN(C[C@H]1OCCc2ccccc21)/C(=C\C#N)c1ccc(F)cc1	750794766	DVBNXMDABKHNEC-KJAJEWJFSA-N	322.383	3.936	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@H]2C[C@H]2c2ccccc2)cc1	755567493	YMVGMFXXEURXJG-AEFFLSMTSA-N	324.449	3.993	50	20	DHGD	
N#CCc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	758217853	USAXGNYFCMCLEI-UHFFFAOYSA-N	319.286	3.528	50	20	DHGD	
CCCC1(C(=O)NNc2nc(C(F)(F)F)cs2)CCC1	759291664	WDCBFDUAQMPEJY-UHFFFAOYSA-N	307.341	3.575	50	20	DHGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)c3ccc(F)cc3)ccc21	761198017	DUBRRDKWKWTTOF-ZSOIEALJSA-N	305.312	3.502	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1nccc2sccc12	764271552	ODTFGYLBTGDUQV-UHFFFAOYSA-N	319.430	3.669	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)OC1CCCCC1	767716445	CPCPGTPUYHDSEK-IZZDOVSWSA-N	309.287	3.887	50	20	DHGD	
C[C@H](NC[C@@H](C)CBr)c1ccccc1OC(F)F	770665040	BGTDJHHWFSVLLR-UWVGGRQHSA-N	322.193	3.970	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2c(C)cccc2F)c(C)c1	771123467	CVNONOHKSVZFIQ-UHFFFAOYSA-N	317.364	3.990	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCOc1c(C)cccc1C	771713588	JFHORKHKGHRJOT-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CC[C@@H](C)c1ccccc1OS(=O)(=O)CCCCCl	773328006	YJUHJYAKBBJZKD-GFCCVEGCSA-N	304.839	3.928	50	20	DHGD	
CC[C@H](C)c1ccccc1OS(=O)(=O)CCCCCl	773328007	YJUHJYAKBBJZKD-LBPRGKRZSA-N	304.839	3.928	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1cc(C)ccc1F	777425972	QLTNPCIWGXHNRN-UHFFFAOYSA-N	304.390	3.542	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)c1ccccc1C	780186286	GKDVOAYSSDKSKK-SFHVURJKSA-N	304.434	3.753	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3ccc(F)cc3)cn2c1	789126498	FVBVBGLBEWGKPX-ZSOIEALJSA-N	305.312	3.572	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(C)c(F)c2)ccc1Cl	790172230	RMORRZMMGWDXAX-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
C=C(C)CN(Cc1ccccc1)C(=O)NCCSSC	790878129	HZPMNGJUUYEIFR-UHFFFAOYSA-N	310.488	3.786	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ncccc3C)CCCC2)c1	791220758	LXXVBEHLEDGIRQ-UHFFFAOYSA-N	309.413	3.654	50	20	DHGD	
CC(C)(C#N)c1ccc(C(=O)NNc2c(F)cccc2F)cc1	793709361	QLOFOFMQHXNCSO-UHFFFAOYSA-N	315.323	3.523	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1ccc(F)cc1Br	802825306	NCNMUXPVWVPNET-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](C)C[C@@H]1c1ccccc1	805472641	FWRPFRZUGSHEHG-GXTWGEPZSA-N	310.488	3.790	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(C#N)c2)c(Cl)cc1F	806580645	JYGWFQGQAOLNTG-UHFFFAOYSA-N	318.739	3.808	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(F)ccc2Cl)cc1Cl	816084365	BDKKTFLHTYBNKU-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCC[C@@H]1CCSS1	816627147	GGKOIGUXHUDPJU-SECBINFHSA-N	316.319	3.963	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2ccc(C)cc2C)cc1	817896456	XHSSKIJYAJRSLO-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(C(C)C)cc2)CCO1	837052683	JHVJEIGQJTUDEM-PBHICJAKSA-N	304.434	3.848	50	20	DHGD	
CCc1noc2ncc(C(=O)NNc3ccc(C(C)C)cc3)cc12	837056466	QLNLOIZFEMHGIA-UHFFFAOYSA-N	324.384	3.666	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1cc2c(s1)CCC2	839395955	PHCCLUSHUXDFKK-UHFFFAOYSA-N	310.831	3.716	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(C[C@@H]2CCOC2)CC1	844345765	ZLVXRJGZCICUIO-INIZCTEOSA-N	313.558	3.757	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)CC2(F)F	844407116	IIMQZPYAHIFEBE-RZNTYIFUSA-N	319.311	3.580	50	20	DHGD	
Cn1ncc(C2CC2)c1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	849248941	AWVPHHZMITVXAJ-WDZFZDKYSA-N	318.302	3.775	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)C1CCC(F)(F)CC1	862506900	NXEOGQUIWWDQKE-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)Nc2ccccc2C)c(F)c1	915971518	ZHKLEYBEKSPIDL-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C[C@@H](C)c2ccccc2)c1C	916336631	KWRXNMGJASOWMQ-NVXWUHKLSA-N	324.424	3.976	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccnc2OC(C)C)cc1Cl	1324666353	LXZJSJFVUZXMSE-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
Cc1cnc(Cl)cc1C(=O)NNc1cccc2c1CCCC2	1336785772	TWKVAMAKSSSZOO-UHFFFAOYSA-N	315.804	3.679	50	20	DHGD	
CS[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	1344389820	REGDYEPRTBGSLF-VXGBXAGGSA-N	305.534	3.664	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)cc1	6209795	HQOIYEUZYAJHAT-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)c1	6302394	INZXQKLRARBUPD-MHWRWJLKSA-N	306.365	3.863	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccc(F)cc1Cl	106923855	NVTRZJXJLXZYBI-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)CCN2C	129697396	OCMURHDDHREHQM-ATVHPVEESA-N	317.392	3.533	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1	132454972	BIVRYDOBHCMPCA-WQRHYEAKSA-N	320.392	3.996	50	20	DHGD	
CCCc1sc(C(=O)NNc2cccc(C#N)c2)cc1CC	152323818	INBZPLRKKUBQGK-UHFFFAOYSA-N	313.426	3.892	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@H](C)c2ccccc2F)c1	156003596	MAXAULQRQGDULQ-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
Cc1cccc2c1[C@@H](C)/C(=C/c1cnn(CCCl)c1)C2=O	157602328	PMIZQEOLTNLLRA-IYVNWDGISA-N	300.789	3.814	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC(C)(c1ccccc1)c1ccccc1	159407401	UGVWEWPBVHWYCD-NXVVXOECSA-N	320.392	3.510	50	20	DHGD	
Cc1ccccc1/C=C(\C#N)C(=O)c1cccc2c1OCCO2	179707210	MLFPXKNLDHZAAS-RVDMUPIBSA-N	305.333	3.556	50	20	DHGD	
CC(C)(C)Sc1cc(C(=O)NNc2ccccc2F)ccn1	182598723	RUEYUVBWHXOVPX-UHFFFAOYSA-N	319.405	3.868	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1c(F)cc(F)cc1F	184438166	GWACQHCKDSACHU-UHFFFAOYSA-N	313.254	3.700	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)c(OC)c1	191360043	TZUDLNFRKYXNPU-NTEUORMPSA-N	317.348	3.711	50	20	DHGD	
Cc1cc(C(=O)NN=C/C=C/c2ccccc2)c2ccccc2n1	254572140	DSUQRHXVZHLWQK-YFUFRYBISA-N	315.376	3.972	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255274667	TWASFTNEMZCLMT-UYRXBGFRSA-N	319.408	3.962	50	20	DHGD	
O=C(NN=Cc1cccc2ccccc12)c1cccc([N+](=O)[O-])c1	257351279	DBQXTTJZHQAIQK-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3c(s2)-c2ccccc2CC3)CC1	270917116	CHOPGSJPQKDMSB-UHFFFAOYSA-N	320.417	3.810	50	20	DHGD	
CSC[C@H]1CCCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	292337295	GMYMXDMWVTYWAU-MJOIQJIUSA-N	317.414	3.534	50	20	DHGD	
CN(N=Cc1ccc(N2CCCCC2)s1)C(=O)OC(C)(C)C	490755303	YBZWNRZMVPGVAP-UHFFFAOYSA-N	323.462	3.939	50	20	DHGD	
COc1ccc(/C=C\C(=O)NNc2c(F)cccc2Cl)cc1	492594917	MAJUAIQQTIHHMU-YFHOEESVSA-N	320.751	3.644	50	20	DHGD	
CN(NC(=O)N[C@@H](c1ccccc1)C1CCC1)c1ccccc1	729232044	CYTLGAOVRGWUQZ-SFHVURJKSA-N	309.413	3.878	50	20	DHGD	
COCC(CC(C)C)=NNC(=O)Cc1ccc2ccccc2c1	730728427	VUNKCWMZLHOVCP-UHFFFAOYSA-N	312.413	3.547	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1ccc(F)cc1	731340751	LEVJTQSYGOBQQZ-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(C)n(CC)c1C)c1ccccc1	731931257	CSAJOVWFIJFSEH-GOSISDBHSA-N	311.429	3.769	50	20	DHGD	
CCOC(=O)NN=C(CC)CSc1ccc(Cl)cc1	734295121	AKUZMVSIBQAVSM-UHFFFAOYSA-N	300.811	3.944	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)[C@H](C)CN2CCCCCC2)C1	734978703	SFZQOWAIUCLZJF-HZPDHXFCSA-N	307.482	3.571	50	20	DHGD	
C=C(Cl)CNC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	736246667	FOCZAROJFNPSQC-CXUHLZMHSA-N	319.836	3.681	50	20	DHGD	
CC(=NNC(=O)COCc1ccccc1)c1ccc(C(C)C)cc1	737439162	VVGRROKBBNCTHM-UHFFFAOYSA-N	324.424	3.867	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	741470783	VVFLHCIGAJKHKK-CYXIBPNKSA-N	300.189	3.639	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)ccc1Br	747690999	SMFKXFRNUOMJHD-CEXMDJMXSA-N	322.202	3.980	50	20	DHGD	
CCCN(CCC)CCCC(=O)NNc1ccc(Cl)cc1	749270938	FQWMTSJLVRELNT-UHFFFAOYSA-N	311.857	3.685	50	20	DHGD	
CCC(=NNC(=O)CNc1ccccc1F)C1CCCCC1	750918962	SNODCYIDXDECDO-UHFFFAOYSA-N	305.397	3.700	50	20	DHGD	
CCOc1ccc(N(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	752437078	HNSFSAIIPUODFR-NTCAYCPXSA-N	324.355	3.794	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2ncccc2Cl)cc1	752622161	PCHAEFRGINVJDS-UHFFFAOYSA-N	321.833	3.533	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=CC(C)(C)C	755566980	PTEHWXWFGDYLPK-UHFFFAOYSA-N	301.415	3.880	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(SC(F)(F)F)cc1	767130669	KKYHNHSXWABONN-UHFFFAOYSA-N	304.337	3.795	50	20	DHGD	
O=C(NCCC1CC1)NNc1c(Cl)cc(F)cc1Cl	768091838	YJQCANQOEHXRMP-UHFFFAOYSA-N	306.168	3.559	50	20	DHGD	
CSc1ccccc1CC(=O)OC[C@@H](C)CBr	770417578	BKAXEGVKSXCDSN-JTQLQIEISA-N	317.248	3.525	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(Br)c(F)c1	771691523	NTQFPNWMABHXER-CMDGGOBGSA-N	315.186	3.778	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)COc1ccc(C(C)C)cc1	771697043	IBJSZOAOBRKWPJ-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
Cc1ccc(C(=O)NNc2nccnc2C(C)C)c(Cl)c1C	772860134	NCZZDDUJPBOQLK-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(O)c(F)c2)ccc1[N+](=O)[O-]	774559684	IMUIXUVURJVCQU-SDQBBNPISA-N	314.272	3.512	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)c1nc2cc(F)ccc2s1	780152877	HXKXJLOOPDQUBM-YWEYNIOJSA-N	318.764	3.886	50	20	DHGD	
CC(C)C[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	781096040	DOGUGPMHVVWKSI-RYUDHWBXSA-N	304.272	3.691	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNC(=O)C2CCC2)c(C(C)C)c1	782548443	HDHLGGTUGVCCPX-UHFFFAOYSA-N	317.433	3.886	50	20	DHGD	
COc1cc(NNC(=O)Nc2cscc2C)ccc1Cl	788648418	XIBXXVJWPIXMGE-UHFFFAOYSA-N	311.794	3.867	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc2c(c1)CCC=C2	802825172	MBZPUBAMHNMRQU-UHFFFAOYSA-N	300.308	3.681	50	20	DHGD	
Cc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)c2ccoc2)c1	806557257	POVHKRXDKMTFEC-QPEQYQDCSA-N	303.264	3.979	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC3(CCCC3)CC2)cs1	811633676	VTKNPKLBCPIWIJ-UHFFFAOYSA-N	305.447	3.601	50	20	DHGD	
CCc1cnc(C=NNC(=O)c2cccc3ccccc23)s1	814854422	JBXRXMXTEGCWPF-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1CC(c2ccc(F)cc2)C1	815854289	WLIUKQNLTXBBQK-UHFFFAOYSA-N	316.351	3.910	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@@H]1c1ccccc1	826529976	DZFPAJOPVDYPCZ-HUUCEWRRSA-N	315.804	3.762	50	20	DHGD	
Cc1csc([C@H](C)C(=O)NNc2cccc3c2CCCC3)n1	830802146	WEGOKLSYMYDKBA-GFCCVEGCSA-N	315.442	3.577	50	20	DHGD	
Cc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)nc1	837227147	IAXQOSMIFFKRQC-HNNXBMFYSA-N	324.515	3.763	50	20	DHGD	
N#C/C(=C\c1cc2ccncc2s1)C(=O)NC1CCCCC1	849177719	QLYCACDNEGBDRP-UKTHLTGXSA-N	311.410	3.652	50	20	DHGD	
CCC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	857555863	CWBZQLMWYBOERJ-VVBXCHJUSA-N	301.434	3.727	50	20	DHGD	
CCC(C)(C)C1CCC(NC(=O)NNC(=O)C2CCCC2)CC1	915927450	NTBXSPUUZYKPSK-UHFFFAOYSA-N	323.481	3.502	50	20	DHGD	
CCCCCOc1ccc([C@H](C)NC(=O)CCl)cc1OC	1319678264	AGBJWRDYLXVKKX-LBPRGKRZSA-N	313.825	3.680	50	20	DHGD	
Cc1cc(-c2csc(NC(=O)CCl)n2)c(F)cc1F	1336910685	YBGBEZFKJLKMHP-UHFFFAOYSA-N	302.733	3.574	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1nc(C2CC2)cs1	1348706140	DBLZFMZEGAFBCR-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cnc2c(C)cccn12	125345833	MKULWJJGBYUPBV-JYRVWZFOSA-N	307.378	3.803	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3cccc(C#N)c3)coc2c1C	152559541	RCHMCFLOCFVLNI-UHFFFAOYSA-N	319.364	3.607	50	20	DHGD	
O=C(NNc1ccncc1Cl)[C@@H]1C[C@@H]1c1cccc(Cl)c1	154762885	VJIDFXQRJZMJMF-VXGBXAGGSA-N	322.195	3.635	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC1(O)CCCCC1	174737604	ACXLLGKLTLUJMF-ZDUSSCGKSA-N	317.520	3.512	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc(F)c2)cc1[N+](=O)[O-]	190247503	TWPHZVFLOFRPNJ-UHFFFAOYSA-N	317.320	3.614	50	20	DHGD	
O=C(NN=Cc1ccccc1[N+](=O)[O-])c1cccc2ccccc12	254401917	ZICUOXNFLKFXSL-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cccc(Cl)c2)n1	269311124	NTYLFBTVXPFDPK-UHFFFAOYSA-N	306.797	3.655	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1cccc2c1CCCC2	269637871	ZAJRWMGAVXYPPM-UHFFFAOYSA-N	313.401	3.742	50	20	DHGD	
CSc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)s1	490979537	YPUAWAOSJWHXMM-LCYFTJDESA-N	314.435	3.693	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)/C=C\c1ccc(Cl)nc1	492983121	GYNGOBCGFBOECR-NTMALXAHSA-N	315.804	3.762	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1csc(-c2cccs2)n1	728430129	ZPXPYCQJMCOXNZ-UHFFFAOYSA-N	307.444	3.758	50	20	DHGD	
CCC[C@H](C)C(=O)NNc1ccc(Br)cc1Cl	733808378	OXSBDGVLWLCLOC-QMMMGPOBSA-N	319.630	3.982	50	20	DHGD	
C[C@H](C(=O)NNc1c(F)cccc1F)c1cccc(Cl)c1	743454949	GEXDXHPLZVGHGA-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
O=C(NNc1nccc2sccc12)C1(c2ccccc2)CCC1	749535692	BDPZKUWEGHEQER-UHFFFAOYSA-N	323.421	3.861	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1c(F)cccc1F	749824087	WESGXTPZTHDHRB-UHFFFAOYSA-N	314.291	3.865	50	20	DHGD	
O=C(NN=Cc1ccccc1C1CC1)c1cc(Cl)ccc1O	751133907	IPDGEVLHEBEJSU-UHFFFAOYSA-N	314.772	3.687	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H]2C)c1C	751992127	NFGPAQKXKPMKKK-HIXWQLQUSA-N	313.445	3.823	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)C(C)(C)c1ccccc1	754255720	SZRXXWPJEGYDPB-CQSZACIVSA-N	318.461	3.574	50	20	DHGD	
COC1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CCCC1	754559125	VAKNMOUYDZCUDQ-UHFFFAOYSA-N	315.325	3.613	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2c(F)cccc2F)cc1	769111833	RGDACLZSMVNJSP-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
O=C(/C=C/c1ccccc1F)NNc1c(F)cccc1Cl	770198210	MTPUDPJWULZBPY-CMDGGOBGSA-N	308.715	3.775	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cccc(Br)c2)[C@H]1C	781126388	GICDAFGIBSEWKC-QWRGUYRKSA-N	323.234	3.991	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)Oc1cc(C)c([N+](=O)[O-])cc1C	783870218	HRZDJDIYIFAZHL-SNAWJCMRSA-N	312.325	3.534	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCCCC1	787290629	PPMTYPCQCOKZQE-FXFXYLOPSA-N	312.413	3.774	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCN(C2CCCC2)CC1	788012332	SUMBATKCINNORM-UHFFFAOYSA-N	312.574	3.568	50	20	DHGD	
CSSCCNC(=O)c1ccc(C(F)(F)F)c(F)c1	791099088	BPBJROZLENLJGG-UHFFFAOYSA-N	313.341	3.586	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCF)C12CC3CC(CC(C3)C1)C2	794871000	TVPLCJUCNLCMJY-GNFNDJEDSA-N	306.425	3.835	50	20	DHGD	
C=C(CBr)CON=C(c1ccccc1)C(F)(F)F	795588087	NVWLMVKJEKMTCI-UHFFFAOYSA-N	322.124	3.921	50	20	DHGD	
C=C(C)CN(Cc1ccc(CO)o1)/C(=C/C#N)c1ccccc1	796383958	RXIGUSKMNZIUFQ-VXLYETTFSA-N	308.381	3.715	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC(C(F)F)CC2)c(C)c1	799471710	JDTWEFJXKZVUMZ-UHFFFAOYSA-N	323.387	3.643	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1CCC12CCC2	799870047	AAXGDMHNUVFUAV-UHFFFAOYSA-N	306.406	3.744	50	20	DHGD	
C[C@@]12CC3CC(C(=O)NNc4cccc(F)n4)(C1)C[C@](C)(C3)C2	804769851	TWUOAFREGCSPAR-FGKMVVGBSA-N	317.408	3.660	50	20	DHGD	
CC(C)(C)CCC(=NNC(=O)C1CCCC1)c1cscn1	807962589	BWMJKDYHTJMWNB-UHFFFAOYSA-N	307.463	3.980	50	20	DHGD	
CC(C)[C@@H](C(=O)NCCCSC#N)c1cccc(Cl)c1	808026208	MGCTXJOARIRPKG-CQSZACIVSA-N	310.850	3.800	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c(Cl)c1	812245569	UUNXLIKXASEIPV-IZZDOVSWSA-N	315.716	3.716	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(C)c1C(F)F	812768813	HRQPXTGBJKPRQA-UHFFFAOYSA-N	322.359	3.546	50	20	DHGD	
O=C(C=C(C1CC1)C1CC1)NNc1cc(Cl)nc(Cl)c1	819742933	HYZAPNBISSVQBG-UHFFFAOYSA-N	312.200	3.578	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1ccc(OC)cc1OC	834956849	ZWJDARNINCJJLI-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2ncc(F)cc2F)cc1	837205584	CLQIIBGXVDNGDA-UHFFFAOYSA-N	319.355	3.524	50	20	DHGD	
CC(C)CCCCC(=O)NNc1cc(C(F)(F)F)ccn1	837672754	IRBFAVCLBFPEQY-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
CO[C@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ccc(C(C)C)cc1	840424537	PYDYJZAWHZRERS-ACJLOTCBSA-N	319.449	3.640	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1cccc(CN2CCCCC2)c1	840527869	JPTPDGZPEORDKR-XDHOZWIPSA-N	324.424	3.576	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1CCCCO	844351960	ZPARDAREUFWLJX-OAHLLOKOSA-N	301.547	3.635	50	20	DHGD	
C[C@H](CCC(=O)NNc1nc2ccccc2n1C)c1ccccc1	848379154	CQBMZZGONPEMKO-CQSZACIVSA-N	322.412	3.600	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)OCC(F)(F)F	853429143	FIRJEQLDFZWIAC-UHFFFAOYSA-N	308.687	3.579	50	20	DHGD	
CCCCCOc1ccc(C(=O)NCCCSC#N)cc1	854364043	YAGPHJHZENCLBM-UHFFFAOYSA-N	306.431	3.590	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2cc(F)ccc2C)s1	855367762	QQRAXZHZXCOJPV-UHFFFAOYSA-N	307.394	3.608	50	20	DHGD	
CCn1ncc(Cl)c1C(=O)NNc1ccc(C(C)(C)C)cc1	857174325	HTBHTIFHEDILFY-UHFFFAOYSA-N	320.824	3.611	50	20	DHGD	
Cc1cccc(NNC(=O)Nc2ccc(OC(C)C)cc2C)n1	860486828	KVEPXYBDHOJXNI-UHFFFAOYSA-N	314.389	3.634	50	20	DHGD	
CCc1cc(SC#N)cc(C)c1NC(=O)C[C@H](C)CC(=O)O	872832566	FRNOAOCUMYXWIJ-JTQLQIEISA-N	320.414	3.570	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H](C)Oc1ccccc1	899892715	KAUQKPXVWAXBBJ-ZDUSSCGKSA-N	315.325	3.585	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc2ncccc2c1	916140220	GNHSEGGVTKVIFD-IQVIHNBBSA-N	319.408	3.837	50	20	DHGD	
O=C(NCC(F)(F)F)NN=Cc1ccccc1-c1ccccc1	917550885	LULOEBRQTLCWKP-UHFFFAOYSA-N	321.302	3.549	50	20	DHGD	
Cc1csc([C@@H](C)C(=O)NNc2ccc(Cl)cc2C)n1	928337028	HSIRARAIWQLZIV-JTQLQIEISA-N	309.822	3.660	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc3cc(OC)ccc3c2)cc1	1116183818	LZMDRAMICUPPNE-UHFFFAOYSA-N	322.364	3.614	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnoc1C(C)C	1123788635	VDVDENKISJPJLD-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
COc1ccc(C[C@H](C)N(C)C(=O)C2CCC(Cl)CC2)cc1	1347536507	GAWNJORMKFRXEZ-JEYLPNPQSA-N	323.864	3.882	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(/C=C/C(=O)O)cc1	1777477172	FHFGPZWHYQZSAR-HCRXKHKBSA-N	323.373	3.944	50	20	DHGD	
CC(C)Cc1nc(C(=O)NNc2cccc(Cl)c2)cs1	49478377	ZFUMGIQCYGUHFJ-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
N#Cc1ccc(CCC(=O)NNc2cccc3c2CCCC3)cc1	119943871	CHELTQPTMRVKEP-UHFFFAOYSA-N	319.408	3.513	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2nc(-c3ccccc3)oc2C)c1	120302564	DXUXHYSDYYULLU-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1	134169258	GELVDVOKXOXIJZ-CYBMUJFWSA-N	313.357	3.540	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NOCCC(F)(F)F	162967143	VIWHEBUTBAVDEG-SECBINFHSA-N	317.398	3.701	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)oc1C	170938408	IEGMBPPJKTVVFP-IZZDOVSWSA-N	315.350	3.534	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1[N+](=O)[O-]	184841184	RMKYCSCNNZODTG-OQLLNIDSSA-N	322.320	3.702	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccc(OC)cc2)sc1C	267007848	NGJKBHDHVDNFFD-UHFFFAOYSA-N	304.415	3.775	50	20	DHGD	
O=C(CCCCCc1cccs1)NNc1ncccc1F	286169203	ZRVVXAGRKTTYHR-UHFFFAOYSA-N	307.394	3.528	50	20	DHGD	
N#C/C(=C\c1ccsc1)C(=O)NCc1cccc(Cl)c1	490691483	FUUNBPLYEFJOPT-AWNIVKPZSA-N	302.786	3.625	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c[nH]c(C(F)(F)F)c2)c1	491008036	HHKIQURTUHEFKU-WUXMJOGZSA-N	319.286	3.888	50	20	DHGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNc1cccc(Cl)c1	492263432	SECLGJRJPJCMLI-ALCCZGGFSA-N	311.772	3.978	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cc(C)cc(C)c1	730431793	WZYFQTULVOMOEM-UHFFFAOYSA-N	319.408	3.868	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1OC)c1cccc(Cl)c1	731488528	IVZHSZOPZUWTEX-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CS[C@H]1CCC[C@@H](NC(=O)NNc2c(C)cc(C)cc2C)C1	735385338	YEAZVDQGGQCXBP-CABCVRRESA-N	321.490	3.912	50	20	DHGD	
COc1ccccc1-c1ccc([C@H](C)NC=C(C#N)C#N)cc1	741649695	WWECQPALBBOGSK-AWEZNQCLSA-N	303.365	3.944	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NN=CC1CCCCCC1	741838787	YRXHBRWBRXJHTB-UHFFFAOYSA-N	308.809	3.791	50	20	DHGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(Cl)c(F)c1	746699972	ONZYRSFJLQSNSE-HZMBPMFUSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)Nc1cccc(F)c1	748821907	AOSMFEZAKBVKOS-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
CC(C)(C)c1ncc(C=NNC(=O)CCc2ccccc2)s1	749739337	AIJXFRISPOKOCY-UHFFFAOYSA-N	315.442	3.524	50	20	DHGD	
CCCC(CCC)C(=O)NNC(=S)Nc1cccc(C)c1C	753769489	OITTVRRBJPQBDB-UHFFFAOYSA-N	321.490	3.837	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc(F)c(C#N)c2)nc2ccccc21	756263908	WTOATELWUNULGH-ZROIWOOFSA-N	302.312	3.648	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)C1CCC1	756730762	YMWCVHLEQLNPTC-MRVPVSSYSA-N	302.205	3.808	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc(F)cc(Cl)c1	757382549	KQWJEPNVEKDDII-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
C[C@H](CBr)CN1CCS[C@@H](c2ccccc2)C1	770652242	GNBJXQDGQWLJGT-TZMCWYRMSA-N	314.292	3.808	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1csc2ccccc12	772874987	JSYLNCNPAFHDJP-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
C[C@H](CC(=O)NNc1cnc2ccccc2n1)CC(C)(C)C	774784488	UBDGBKJUFDQOBT-GFCCVEGCSA-N	300.406	3.535	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)NNc1ccccc1[N+](=O)[O-]	775414492	IOXMDVDGOXINNI-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
COc1cc(Cl)ccc1NC(=O)NNc1c(C)cccc1F	776078783	SWZZXDBVAZRNEK-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
C[C@H]1CC[C@H](CCC(=O)NNc2cc(Cl)cc(Cl)c2)O1	791726402	IEDBBKWNNNFQBD-TVQRCGJNSA-N	317.216	3.784	50	20	DHGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)c1ccc2ncccc2c1	794885263	PSHQLJATVMTUQU-NVNXTCNLSA-N	315.357	3.958	50	20	DHGD	
CCC[C@H](C(=O)OC[C@H](C)CBr)c1ccccn1	799532124	LGPSWDMTTWQSCF-NEPJUHHUSA-N	314.223	3.540	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(OC(F)F)cc1	799754615	AOPAMOQOZBEIHL-UHFFFAOYSA-N	320.339	3.916	50	20	DHGD	
C[C@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	802037197	WTLXBQREVJTUET-ZDUSSCGKSA-N	323.396	3.552	50	20	DHGD	
Cc1nc(NC(=O)NNc2ccccn2)ccc1-c1ccccc1	810274615	VZXIGNXWRBIOAH-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CC[C@H](C=NNC(=O)NCCc1cccs1)c1ccccc1	814818389	PWBMCMSAQBNDRI-CQSZACIVSA-N	315.442	3.769	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3cccc(Cl)n3)cc2C1	817011200	JOILAXQRFMRDOQ-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CCn1nnc(C)c1/C=C(/C#N)n1c(C(C)C)nc2ccccc21	840721220	BNPPRAOCUSEACO-UVTDQMKNSA-N	320.400	3.601	50	20	DHGD	
N#C/C(=C\c1ccc(O[C@@H]2CCOC2)cc1)C(=O)C1CCCC1	849180100	XAPRBNPGGQQBLJ-QIPHDZALSA-N	311.381	3.521	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1c(CO)nc2ccccc21	853637602	UGWNHSWTRLEYNK-UHFFFAOYSA-N	306.482	3.550	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccc(C3CC3)cc2)C[C@@H]1Br	856852776	BWSSUBZEZWZBSL-ZFWWWQNUSA-N	323.234	3.859	50	20	DHGD	
C[C@]1(C(=O)NNc2cccc(C(F)(F)F)c2)C[C@H]2CC[C@H]1C2	860312471	QZGQGJIIPYIWOL-PGUXBMHVSA-N	312.335	3.975	50	20	DHGD	
CCCN(N=C1CCCc2scnc21)C(=O)OC(C)(C)C	863112254	QTFWFTIIVSRPFT-UHFFFAOYSA-N	309.435	3.831	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(F)cc2Cl)CCO1	885137339	UQVWBMROMVSFEL-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21	916142064	GVTWXKVNGDUPPM-VCHYOVAHSA-N	305.337	3.912	50	20	DHGD	
CCCn1cccc1C=NNC(=O)c1cc2ccccc2cc1O	918153967	WQNHXRWHAVIIPT-UHFFFAOYSA-N	321.380	3.521	50	20	DHGD	
CCCCCOc1ccc([C@@H](C)NC(=O)CCl)cc1OC	1319678263	AGBJWRDYLXVKKX-GFCCVEGCSA-N	313.825	3.680	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC(c3ccc(C)cc3)C2)cc1	1326761281	DFBFODUOHZXLLP-UHFFFAOYSA-N	308.381	3.667	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)c1	60452844	UJYXSXHDVWOYQJ-PDGQHHTCSA-N	316.360	3.996	50	20	DHGD	
N#C/C(=C/c1cccnc1)C(=O)c1ccc(Br)s1	107067149	PRIHZGSSFBXILO-POHAHGRESA-N	319.183	3.695	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ncccc3Cl)csc2C1	114882828	FZLFDSGPHAGPSR-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)s1	123338626	CDXXQZAHNOVQQM-XFFZJAGNSA-N	315.373	3.951	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(F)c(Cl)c1	129700662	FTLLNSCZCRTJPQ-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@@H]1COc2ccccc21	178873246	YLLRVSFFTZLAJR-LLVKDONJSA-N	323.179	3.613	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)cc1	254759381	MFSGLFMRGOFHBJ-UHFFFAOYSA-N	319.408	3.984	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)n1	255415677	DSGBFLWNQKUIMN-VZUCSPMQSA-N	315.354	3.944	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2csc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	255671945	YIIZPFQZJSPYGO-XGICHPGQSA-N	315.310	3.937	50	20	DHGD	
CCOCc1cc(/C=C(\C#N)C(=O)[C@H](C)CC)ccc1OC	263641172	BSCOVXCCWMNJHH-GULXKOIASA-N	301.386	3.754	50	20	DHGD	
Cc1cccc2[nH]c(/C(C#N)=C/c3cnn(CC(C)C)c3)nc12	272765536	RLDBPRPBLVTAAB-VIZOYTHASA-N	305.385	3.788	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)nc(Cl)c1	281856321	UYUWDDFBHIVJEN-UHFFFAOYSA-N	303.793	3.671	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CC1(F)F	297721199	GJHAUGJXXVNTNK-LBPRGKRZSA-N	310.369	3.978	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnc(Cl)c(C)c2)cc1	490725779	KTAROHBAAKAWFL-ZSOIEALJSA-N	311.772	3.898	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1ccc(F)cc1Cl	728781752	XFHWPBKEVBGOHP-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)c3ccc(Cl)nc3)C2)cc1	729816695	PZEXEYZMYWVNHM-UHFFFAOYSA-N	313.788	3.707	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(N(CC)CC)c(F)c1	739427559	UUSZZMYUXMZYTQ-PTNGSMBKSA-N	318.392	3.922	50	20	DHGD	
CCCn1cccc1C=NNC(=O)c1cccc2ccccc12	741462314	BJNUZTBNJVBLPV-UHFFFAOYSA-N	305.381	3.815	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	748000912	YDKIICYHENEYFX-CYBMUJFWSA-N	305.378	3.644	50	20	DHGD	
O=C(COC1CCCCC1)NNc1cc(Cl)ccc1Cl	752810686	MPXNBSZRTBBBKB-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H]1C[C@H]1C1CC1	753175188	ZUNQZCOKSXGNHW-QWHCGFSZSA-N	323.234	3.501	50	20	DHGD	
Cc1ccc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1C	758503561	XEKNLACXPCRBSV-YVLHZVERSA-N	307.349	3.659	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=CCCC1CCOCC1	764904442	JNMIJNZWTSCWRZ-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
CC(C)C[C@H]1CCCN1C(=O)[C@@H](Br)C(C)(C)C	767931756	UOBOMUJJCZNPSQ-VXGBXAGGSA-N	304.272	3.833	50	20	DHGD	
CC1CC(NC(=O)NNc2c(Cl)cc(F)cc2Cl)C1	768087405	RPKNTNRKSCRZJD-UHFFFAOYSA-N	306.168	3.557	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1cccc(C(F)(F)F)c1	769604478	BMBZTZIGTMXZJW-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
CCCCOc1cccc(NC(=O)NNc2cccc(C#N)c2)c1	769978879	RTOQJMASEKKKHT-UHFFFAOYSA-N	324.384	3.886	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cccc(C(F)F)c1	770364160	AQJYLZJOZJAZGH-QMMMGPOBSA-N	307.134	3.812	50	20	DHGD	
Cc1ccccc1NC(=O)NN=CCCc1ccc2c(c1)CCO2	774366569	BDWHFLTVLHVQJM-UHFFFAOYSA-N	323.396	3.670	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCCC[C@@H](C)C2)cc1	775169325	HYGWJFHTPYTHOA-UHVIJJLKSA-N	312.413	3.641	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1nc2c(s1)CCCC2	776266384	QLUTYAXTMFTMOZ-RAXLEYEMSA-N	323.421	3.876	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1ccc(F)cc1C	777418354	NEWHLNDTPSAROX-UHFFFAOYSA-N	304.390	3.542	50	20	DHGD	
C[C@]1(C#N)CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	784747584	OWAHKRMKQWOXDT-UKRRQHHQSA-N	312.504	3.853	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)c2ccccc21	787048468	GETDVYWBXYKHJW-RGHBXIHOSA-N	318.376	3.840	50	20	DHGD	
CSSCCNC(=O)c1ccc(-c2ccsc2)nc1C	791099884	MSIOTDAEAZVMDZ-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NNC(=O)C1CCC1	796362867	LYMQZOYCAZAGSQ-XAUUPUKJSA-N	320.477	3.567	50	20	DHGD	
COc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1C#N	799497925	DGRWAAXEGBKAHP-OVCLIPMQSA-N	312.332	3.574	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc2c1ccn2C	799759740	VNOMUHGVLRPCTB-UHFFFAOYSA-N	307.397	3.806	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccc(Br)cc1F	800520868	PFDVIRNOBVZIDV-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2c(C)nn(-c3ccccn3)c2C)n1	801647511	FDDFQXGFDIUXNB-ZSOIEALJSA-N	321.409	3.713	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(COc2ccc(Cl)cc2)cs1	806553086	GXMMHYISESEXIH-LCYFTJDESA-N	305.790	3.589	50	20	DHGD	
CC[C@@H]1Cc2ccccc2CN1C(=O)NCCSSC	807234863	YKOUJBAKZBKNNA-CQSZACIVSA-N	310.488	3.544	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NCC(Cl)Cl)oc12	808129403	SKXSWTOKVSZBFU-UHFFFAOYSA-N	300.185	3.892	50	20	DHGD	
COc1ccc(CN(C)CCO[Si](C)(C)C(C)(C)C)cn1	808740980	UULQSKMQLIJGOG-UHFFFAOYSA-N	310.514	3.544	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)C[C@H]1CCOC1	813100632	IMMFXGUIVCERKY-HUUCEWRRSA-N	319.449	3.560	50	20	DHGD	
C[C@H](CBr)CN1C[C@@H]2CCCCN2c2ccccc21	815228295	TUKHQVPXWVDCOC-KGLIPLIRSA-N	323.278	3.897	50	20	DHGD	
CC1(C)CCC[C@@H]1CNC(=O)/C(C#N)=C/c1ccc(F)cc1	819174141	IQIXMLKQUJJQGU-YVGNARHYSA-N	300.377	3.675	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1nc(C(F)(F)F)cs1	826799663	MOTRGRDYUIPPII-MRVPVSSYSA-N	309.357	3.677	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	827521934	WPTNJWGUIVTZLK-YMTOWFKASA-N	311.769	3.518	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CC=CCC1	827522140	ZNTRGKOKNUSFEY-OAHLLOKOSA-N	323.318	3.767	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C1	832968908	QVRXIWDUARELNN-SNVBAGLBSA-N	315.339	3.760	50	20	DHGD	
CCCC(C)(C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	845090164	DASXNRNTQBCTCW-UHFFFAOYSA-N	317.216	3.581	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2ccccc2Cl)CCC1	846144523	LCBZXWRELCLTLH-UHFFFAOYSA-N	306.620	3.682	50	20	DHGD	
CCC[C@H](NC(=O)NNc1cc(F)ccc1C)c1ccccn1	853678509	JNZBFSIHPPGRFN-HNNXBMFYSA-N	316.380	3.697	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@H]1C[C@H]1C1CCC1	856236584	LFPDFORQBJGMRD-WDEREUQCSA-N	321.833	3.829	50	20	DHGD	
CC1(C)C[C@]1(C(=O)NNc1ncccc1Cl)c1ccccc1	857127635	VMBFXUDEJWNCKW-QGZVFWFLSA-N	315.804	3.546	50	20	DHGD	
C[C@@H](C(=O)OC[C@@H](CBr)C1CC1)c1ccsc1	859563581	QYXQZOGGUSZZJP-BXKDBHETSA-N	317.248	3.816	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)C(=O)C(CC)CC)c1C	863183855	DANKTNONSMQYJW-NTEUORMPSA-N	316.401	3.721	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)[nH]1	865226001	NNNTYZLTAXOIQF-YRNVUSSQSA-N	313.382	3.589	50	20	DHGD	
Cc1ccc2c(c1)CCC2=NNC(=O)c1c[nH]c2ccccc12	921252162	ZIRHJSKFADHFCB-UHFFFAOYSA-N	303.365	3.557	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cnn(C(C)(C)C)c1C	928336364	LVXGCRIDRPZCQO-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H](C)c1ncccc1C	1347083520	ZNQNAFPGJLZDHQ-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)c(C(=O)O)c3)[nH]c12	1777448325	VVYSYPUWLJMCJH-KPKJPENVSA-N	321.311	3.773	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cc3[nH]c(C(=O)O)cc3o2)sc1C	1777489216	CYMCUTQEHOJGOZ-OQFOIZHKSA-N	313.338	3.597	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc(/C=C/C(=O)O)o2)sc1C	1777489378	BTSVMBZSXVGNAL-LCAICKDSSA-N	300.339	3.515	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(C)c2)cc1	5724949	AJQPUXHUZDFPBI-RVDMUPIBSA-N	322.364	3.558	50	20	DHGD	
CC(C)(C)C1CCC(=NNC(=O)CNc2ccccc2)CC1	7009142	JHYHILBTOJSKTJ-UHFFFAOYSA-N	301.434	3.807	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)NCC(C)C)c2ccccc12	44026407	DQYYKYZJEBFYHD-XNTDXEJSSA-N	308.381	3.528	50	20	DHGD	
CCCc1sc(C(=O)NNc2cc(C)ccn2)cc1CC	88423669	LPIATTYGAADYON-UHFFFAOYSA-N	303.431	3.723	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1ccc(Cl)c(F)c1	126970208	BECWBBZXDSEQRY-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
CCC1(C(=O)NNc2ncc(Cl)cc2Cl)CCCC1	133088052	SJEGKUJUDDBQPJ-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(O)c(F)c2)c1C	158756968	FTIFLHQSVZEIAL-OQLLNIDSSA-N	324.355	3.926	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCc2nc3ccccc3[nH]2)c1	159018029	WSJSSQNWQFIXFH-UHFFFAOYSA-N	322.412	3.646	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	172522618	WLDNKZLDQUWMIX-FMIVXFBMSA-N	305.447	3.654	50	20	DHGD	
CC[C@H](C)Oc1cc(C(=O)NNc2cc(C)ccc2C)ccn1	180786414	YRRUVNICHVQCSV-AWEZNQCLSA-N	313.401	3.633	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(Br)cc2)CCC1	189662721	IXJGARXLIDURCO-UHFFFAOYSA-N	309.207	3.639	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(C2CCC2)cc1	189667783	VQIKDAUCUUKRRB-UHFFFAOYSA-N	302.324	3.989	50	20	DHGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)Nc1ccccc1Cl	255056965	UVFXERYVYTZGCU-IZZDOVSWSA-N	313.769	3.819	50	20	DHGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccccc1-c1cccs1	271468588	ZZRAKYLDZFIVLM-UHFFFAOYSA-N	317.414	3.614	50	20	DHGD	
CC(C)c1cc(C(=O)N2CC=C(C#N)CC2)c(O)c(C(C)C)c1	272695062	RMNKDSMBZLLHGT-UHFFFAOYSA-N	312.413	3.935	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)CCc1ccc(C)cc1	731487960	LOFIXIMMVZGLMJ-UHFFFAOYSA-N	310.397	3.742	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(C)ccc1F	734978501	KJLUDLIIDACGBG-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1ccc(Cl)c(F)c1	746696923	CYSPQLXTGIXQKI-LLVKDONJSA-N	322.767	3.528	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(O)c1)c1ccc2ccccc2n1	748148569	TZILTHIBNUZJAZ-ZROIWOOFSA-N	317.304	3.913	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1	748359564	UPJSKYIKSWYGOE-ICSRJNTNSA-N	306.409	3.651	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2C[C@H]2c2sccc2C)ccc1[N+](=O)[O-]	748834901	UBZDJOIGYMVEGE-CHWSQXEVSA-N	317.366	3.982	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1cccc(Cl)c1	749340165	JHOKGJLRZAXYGX-OAHLLOKOSA-N	318.804	3.949	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccccc1C(F)(F)F	752172202	GGXFTCASASWFGJ-UHFFFAOYSA-N	310.275	3.761	50	20	DHGD	
Cc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)c2ccoc2)cc1	752890642	QWUKDHZELAGYPI-NVNXTCNLSA-N	303.321	3.768	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1CCCSC1	753037008	LPHHLBLNYWVKQQ-VIFPVBQESA-N	320.245	3.515	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CCCC(F)(F)F	756032941	DPWIMZHHOPLNMM-JTQLQIEISA-N	321.318	3.881	50	20	DHGD	
CCO[C@H]1CCCC1=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	766434846	ZYMGNUKDCCXJRQ-RISCZKNCSA-N	320.458	3.548	50	20	DHGD	
N#CSCCCNC(=O)Cc1cc2c(ccc3ccccc32)o1	773570263	BUEORNSQLKABCW-UHFFFAOYSA-N	324.405	3.849	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1ccccc1	778589605	CMHPJYJJDRQMGH-OAHLLOKOSA-N	318.808	3.758	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	779758176	JXKBPIADJWQLJG-CYBMUJFWSA-N	310.401	3.763	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2)cn1	790101697	REQJMGZUGLDOPQ-GZTJUZNOSA-N	305.381	3.716	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)c1ccccc1C(F)(F)F	791113294	BUCIQYBZIUVWJT-VIFPVBQESA-N	323.405	3.936	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-c2ccsc2)nc1C	791222133	ABHGRNDKIFSUGL-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CC(C)O[C@@H](C=NNC(=O)c1ccccc1F)c1ccccc1	792886420	UJSPGSBTFSWMCS-KRWDZBQOSA-N	314.360	3.708	50	20	DHGD	
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	794551761	SJAFDZFSKXHWPP-UHFFFAOYSA-N	318.417	3.810	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCC[C@@H]2CCCF)c1	800806505	YZCPCQNTLVFFAS-OAHLLOKOSA-N	320.408	3.704	50	20	DHGD	
COc1cc(C)c(NC(=O)NNc2ccc(C#N)cc2)c(C)c1C	806767205	BDZYSQLYJCOGRR-UHFFFAOYSA-N	324.384	3.641	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2c(c1)CCO2	812769291	AADRCCCLFPTDFL-UHFFFAOYSA-N	310.397	3.810	50	20	DHGD	
O=C(CCOc1ccc2ccccc2c1)NNc1ccccc1	813493845	PHSLTNUVDZFCAZ-UHFFFAOYSA-N	306.365	3.752	50	20	DHGD	
CC[C@H](C)C(=O)NN=C1CC(c2ccc(Br)cc2)C1	814809968	UBMHGBPUHRPWIO-NUHJPDEHSA-N	323.234	3.845	50	20	DHGD	
Cc1c(C(=O)OC[C@H](C)CBr)ccn1C(C)C	815315380	DBOZWHOUDLVEDZ-SNVBAGLBSA-N	302.212	3.565	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](OC(C)C)c2ccccc2)c1	815853281	DKBXLMNQCUWKEC-GOSISDBHSA-N	312.413	3.913	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](OC(C)C)c1ccccc1	815853925	GSVZJJZAIRZWPH-QGZVFWFLSA-N	316.376	3.744	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1CC2CCC1CC2	815855413	QUZCAKXWOULGQD-QIMFLAQGSA-N	310.344	3.557	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(CC)(CC)C2)cc1	818113197	HFVSKKNOLWVYLJ-LFIBNONCSA-N	312.413	3.641	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1cc(Cl)ccn1	819474060	OENCKLJSORAUMI-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1ccccc1C(F)(F)F	824120025	QPHRMFBMZWNAGU-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)cc1	834941419	BTWNKDGXSXLXAF-LBPRGKRZSA-N	319.405	3.530	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCCC1(O)CCC1	840138666	SELRYEUEAOFGMP-LBPRGKRZSA-N	304.477	3.549	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCSc1cccc(C(N)=O)c1	840209639	YZTKTMFXLAOLDS-UHFFFAOYSA-N	311.523	3.899	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1[C@@H]2CCC[C@@H]12	846379573	YYMSWWGUILZRCR-RKDXNWHRSA-N	318.726	3.848	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(Cl)nc1	851978925	UPIIDNDOFILZTH-PTOFAABTSA-N	303.631	3.559	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(C)c(F)c1)c1ccc(OC)cc1	856230637	WOVNFUGVXLRMPX-MRXNPFEDSA-N	316.376	3.780	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](OC)c1ccc(F)cc1	861525922	GNAGURGPDZWLAQ-KRWDZBQOSA-N	316.376	3.527	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1cccc(SC(F)F)c1	878578963	BVHRQHOTVSGDIE-UHFFFAOYSA-N	315.172	3.927	50	20	DHGD	
Cc1ccccc1NC(=O)NN=CC1=Cc2ccccc2OC1	915971545	AMRCSILRUIXOPY-UHFFFAOYSA-N	307.353	3.578	50	20	DHGD	
Cc1nc(C=NNC(=O)c2cc3c(s2)CCCCC3)cs1	916369808	PLSXWVVESQGMDL-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccc(Cl)nc1)c1cccs1	917545736	ZGQXFYYXLIFNNC-UHFFFAOYSA-N	321.833	3.977	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)c1ccc(C)cc1O	917549146	QXEJMNWMKGDJIZ-UHFFFAOYSA-N	322.364	3.773	50	20	DHGD	
O=C(NN=CC1CCC(c2ccccc2)CC1)c1cccnc1	1256541623	DYZBRRMLBAXQDL-UHFFFAOYSA-N	307.397	3.771	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccccc1C)OCO2	1323860003	MSCIMZBTBZJTFN-VGOFMYFVSA-N	321.332	3.522	50	20	DHGD	
C=CCC[C@@H]1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776046193	FIVXWMOAIXDSRW-GFCCVEGCSA-N	315.373	3.629	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(C(=O)O)c(F)c1	1777477255	QYGBUUVAXZOXIB-IZZDOVSWSA-N	315.325	3.684	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)C(=O)OC(C)C	49371916	AUGUFCQBEIXLMD-WMZJFQQLSA-N	314.168	3.861	50	20	DHGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)Nc1ccc(F)cc1	66405621	CZYPHHOAGBBVJC-XFFZJAGNSA-N	313.357	3.705	50	20	DHGD	
Cc1cnccc1NC(=O)NNc1ccccc1C(F)(F)F	93098736	JGPBUTOZEIRCEA-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	96765725	ZGXYQXBGXRUYFU-FLIBITNWSA-N	307.758	3.509	50	20	DHGD	
COCCOc1ccccc1/C=C(/C#N)C(=O)C1CCCCC1	128926847	XJDWOKGHOMEIHX-LGMDPLHJSA-N	313.397	3.768	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cn1)C(C)C	131884252	RRFWMHNSLKRACP-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3c2OCCO3)s1	170933485	URPUSIKSKORUIS-UKTHLTGXSA-N	311.362	3.618	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	179177898	ZLRISAHSKPZEJB-UXBLZVDNSA-N	320.179	3.825	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	188749122	GXMPPPUIRQYOOA-XYOKQWHBSA-N	305.761	3.950	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1)C1CCC(F)(F)CC1	291820196	ZEXKCHCWWHLZQI-RAXLEYEMSA-N	322.330	3.769	50	20	DHGD	
N#CC1=CCN(C(=O)c2cncc(-c3ccc(Cl)cc3)c2)CC1	371607882	OWNZOKPMNXVVMG-UHFFFAOYSA-N	323.783	3.698	50	20	DHGD	
C[C@H]1[C@@H](N2CCCC2)CCN1CCO[Si](C)(C)C(C)(C)C	377524944	PMPZWHQHHRKTSA-HOTGVXAUSA-N	312.574	3.567	50	20	DHGD	
C[C@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)c2ccccc21	398601175	ZYUNUVUSBFOULO-LBPRGKRZSA-N	321.829	3.738	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1cc(Cl)ccc1Cl	492508822	SXDFKXAIKIVBTA-GORDUTHDSA-N	322.195	3.853	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1c(C)cccc1C(C)C	492988919	UXADASDEUADXRB-CMDGGOBGSA-N	309.413	3.978	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1c[nH]c2ccccc12	727689542	SSQDSCGSUZPGAP-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@H]1CCCC[C@@H]1C)c1ccccc1	732000237	GZPVWCXFSBRUOU-UAGQMJEPSA-N	316.445	3.544	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(C)cc1	741766680	GRIPCIUPZFHYOG-UHFFFAOYSA-N	310.401	3.607	50	20	DHGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNc2cccc(F)c2)c1	748088209	AGVULOGNCJXCHO-ZDUSSCGKSA-N	316.376	3.860	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cnc2c(c1)CCCC2	752772101	KRKQDPXNHFHMQD-OQLLNIDSSA-N	321.355	3.645	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cccc3cccnc23)cc1Cl	753302988	RTBISBDAJUSYRB-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CSc1cc(C)ccc1CNC(=O)NN(C)c1ccccc1	756970464	QBCOYJLNRVYDSX-UHFFFAOYSA-N	315.442	3.568	50	20	DHGD	
CCO[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)C(C)C	761046166	INPUAFSMQTULHS-CYBMUJFWSA-N	318.339	3.600	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccccc2O)C[C@H]1c1ccccc1	768476825	RYSHOVNYTMJISN-HNNXBMFYSA-N	308.381	3.692	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C[C@H]1CCCC[C@@H]1C	783813145	IJEKMMZKJPQSRY-MELADBBJSA-N	306.381	3.521	50	20	DHGD	
COc1cc(NNC(=O)C[C@@H](C)c2ccccc2)ccc1Cl	790175969	RIOJOWPESHGIMM-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
COc1cc(NNC(=O)c2cccc3[nH]ccc23)ccc1Cl	790177814	NCUFPZZKQLXMGC-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1Cc2ccc(F)cc21	793706589	XDALBWDRYWMGNJ-AWEZNQCLSA-N	324.277	3.628	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCOc1cccc(C)c1	799757058	SMZSAPQIZVUOKI-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1cc(F)c(F)cc1F	801177030	CPKBPHMGUGVOPU-UHFFFAOYSA-N	320.723	3.505	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(O)cc(C(F)(F)F)c1	811626897	PJIULNKJNISWNI-WZUFQYTHSA-N	313.275	3.661	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ncccc2C)CCCC1	813535448	XFXDBPYIUIWVTM-UHFFFAOYSA-N	309.413	3.654	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cccc(F)c2)c1	814991631	QMZJXNKJXSMDSX-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(C)cc1O	815007857	ZANRUNOCJPQZAA-UHFFFAOYSA-N	319.311	3.525	50	20	DHGD	
CC(C)(C)c1ccc(CCC(=O)NCC(Cl)Cl)cc1	816605565	DRWYXRADYVFVGP-UHFFFAOYSA-N	302.245	3.837	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(F)cc(C(F)(F)F)c1	816628942	QMCBBIRXLLWMLN-UHFFFAOYSA-N	318.097	3.720	50	20	DHGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNc1cccc(Cl)n1	817008992	PZVMMPZWAKNBLM-BENRWUELSA-N	301.777	3.590	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H]1[C@@H]2CCO[C@H]2C12CCC2	831377258	VZZVLDNMRVVABS-RRFJBIMHSA-N	311.542	3.555	50	20	DHGD	
O=C(NN=Cc1sc2ccccc2c1Cl)[C@@H]1CCCCO1	834988858	NTTCXESCHKCFJE-NSHDSACASA-N	322.817	3.574	50	20	DHGD	
CCCn1cc(NC(=O)NNc2ccc(C(C)C)cc2)cn1	836431401	MHMRJXKQPYSTOI-UHFFFAOYSA-N	301.394	3.565	50	20	DHGD	
CC(C)Cn1c(SC/C=C\C#N)nnc1-c1ccccc1F	839954710	DZXUSAPZRLETGI-WAYWQWQTSA-N	316.405	3.912	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC(F)(F)CC1	842525561	SBCHWUXPUBMQDC-UHFFFAOYSA-N	316.735	3.644	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccc(Cl)cc2)C[C@H]1Br	856811147	KJPPQDHRBADHLC-ZYHUDNBSSA-N	317.614	3.635	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccccc1C(F)(F)F	866110490	YETWFPHRNBRBHA-UHFFFAOYSA-N	301.095	3.631	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H](c1ccncc1)C1CC1	899019662	LKXXFWQPPMVVIS-OAHLLOKOSA-N	316.792	3.512	50	20	DHGD	
Cn1c(/C(C#N)=C/c2cnn(C3CCC3)c2)nc2ccccc21	899338353	OTGIHSQHCKWTQS-NTEUORMPSA-N	303.369	3.559	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(CC3CCC3)c2)cc1	899345500	NXHSUMCFZOGXKN-NVMNQCDNSA-N	305.381	3.782	50	20	DHGD	
N#C/C(=C/c1c[nH]c2ccc(C(=O)O)cc12)C(=O)C1CCCC1	899365807	DVKCNLGHPJJQAU-QPEQYQDCSA-N	308.337	3.532	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccccc1N1CCCCC1	916266866	KFBXMBCFUKKIKS-UHFFFAOYSA-N	303.406	3.536	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c(C)[nH]1	917574005	DLIORNWFBPQDDF-JTQLQIEISA-N	315.442	3.582	50	20	DHGD	
O=C(NN=C1CCCC12CCC2)c1ccc(Br)cc1	1325315764	PQKUFMCXPKVXMJ-UHFFFAOYSA-N	321.218	3.889	50	20	DHGD	
CN(C)[C@@H]1CCCC[C@H]1NCc1ccc(OCCCCl)cc1	1327574294	WYNIZQFHRMGBSJ-QZTJIDSGSA-N	324.896	3.657	50	20	DHGD	
CCCN(N=Cc1ccc(C)cc1C(=O)O)C(=O)OC(C)(C)C	1776059029	BQVNRMYETUFSHN-UHFFFAOYSA-N	320.389	3.674	50	20	DHGD	
O=C(CCc1ccc(OC(F)(F)F)cc1)NNc1ccccc1	111553180	BILRPIPIHIMOBF-UHFFFAOYSA-N	324.302	3.661	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)[C@H](C)CC2CCCC2)c1	114559502	PQUMJDJJEMWRJP-CYBMUJFWSA-N	319.474	3.529	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2F)cc(C)c1OC(F)F	152992858	YLBYKDLZSNQZHQ-UHFFFAOYSA-N	324.302	3.801	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccccc3F)o2)cc1	155342642	ZHMISFZWAPGVTH-UHFFFAOYSA-N	321.311	3.714	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2ccccc2[nH]1	159739241	BJYSRZZUYXLGTF-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(Cl)s1)c1ccccc1	171982132	HFFFVMYBKHAEEL-PKNBQFBNSA-N	302.786	3.971	50	20	DHGD	
Cc1ccc2cccc(C(=O)NNc3cccc(Cl)c3)c2n1	172826274	JZGDEVZUDHBMSL-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccc2ccccc2n1	181091351	LPCJFOAXIQNWNE-UONOGXRCSA-N	323.421	3.852	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)s1)NNc1ccncc1Cl	185254857	BWLWXTSYQWUBFE-DUXPYHPUSA-N	314.197	3.606	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)c(OC)c1	212128725	OSLGBFNGNNOWLU-GDNBJRDFSA-N	307.349	3.802	50	20	DHGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)c1ccco1	212653973	FNCCXXNSXHAGPC-YWEYNIOJSA-N	308.156	3.893	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1ccc(F)cc1	213096385	VHENLJFGWVIWPN-YBEGLDIGSA-N	317.323	3.801	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C	255337706	JTWSLLVMXDMRNL-IYICPGQYSA-N	312.413	3.801	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1CCC(C(F)(F)F)CC1	278332269	DYNDJQGWGZFNSJ-UHFFFAOYSA-N	322.277	3.777	50	20	DHGD	
CC(C)=CCC[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	295703237	VRAHPJOJBJNYHJ-GFCCVEGCSA-N	311.857	3.603	50	20	DHGD	
CO[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)CC1	374664414	PZOYFOBJDBHPKK-KGLIPLIRSA-N	317.520	3.728	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	490696311	OSNMVHIISCZRLJ-FMIVXFBMSA-N	314.776	3.663	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1csc(-c2cccs2)n1	491085192	CBLYSEOOXMZHCJ-UHFFFAOYSA-N	309.416	3.730	50	20	DHGD	
BrC[C@@H](CN1CCc2ccsc2C1)C1CC1	711825744	KECFMJXXLOIKBQ-LBPRGKRZSA-N	300.265	3.527	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)c1ccc(Br)s1	727778143	ZRHYVLNPZXUSJY-QMMMGPOBSA-N	315.236	3.829	50	20	DHGD	
Cc1cccc(OCC(=O)NN=C2CC(C)(c3ccccc3)C2)c1	729633202	KLYNVFLTHBCOGB-UHFFFAOYSA-N	322.408	3.598	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1cccc(OC(F)(F)F)c1	730947778	IJRIIJNHPGBEGO-UHFFFAOYSA-N	314.307	3.616	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1ccc(F)c(Cl)c1	731488199	YQIFEZUMCCJMDF-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cc3c(s2)CCC3)o1	732762945	ADXKFEKJBPMWQD-GWCFXTLKSA-N	314.410	3.717	50	20	DHGD	
CC(C)C[C@@H](C(=O)NNC(=O)CC1CCCC1)c1ccccc1	740925406	MYXCTUXWQXZKJC-QGZVFWFLSA-N	316.445	3.544	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc2cc(F)ccc2s1	743818227	OJCSBUUYUSJPDJ-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
O=C(NN=Cc1cc[nH]c1)Nc1ccc(-c2ccccc2)cc1	745205286	UXRKYCUGKQSSIA-UHFFFAOYSA-N	304.353	3.837	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccc(C(F)(F)F)cc2)C1	747606925	XCRVICFJPDWRTQ-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
CCCc1ccc(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)cc1	751164778	HUPGDBGRWNWDLQ-UHFFFAOYSA-N	315.325	3.775	50	20	DHGD	
CCOC(=O)NN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1	753922055	OLQDJNZARKPAKL-UHFFFAOYSA-N	318.417	3.674	50	20	DHGD	
Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c(C)n1C	754943143	KPKBILABYNCTFA-UHFFFAOYSA-N	324.211	3.713	50	20	DHGD	
C[C@@H](C=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1	756871261	RDDNONJRLVRYTN-LBPRGKRZSA-N	309.344	3.826	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)COc2cccc3ccccc23)c1	760141272	KGGCHLCJHFJYTN-UHFFFAOYSA-N	324.355	3.809	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(Cl)cn1	774385952	VJLMJYRYMCEDKS-UHFFFAOYSA-N	315.804	3.553	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2NCc2ccccc2)CC1	780689099	SUOPZKAWEOSDCD-UHFFFAOYSA-N	317.392	3.595	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(C(=O)OC)c1	780801332	YPAWCBSXCHWHOT-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1csc2ccccc12	788184339	KFOKCCRVRULKHZ-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
CCc1ccnc(CNC(=O)CCCC[C@@H]2CCSS2)c1	798066299	KGSPVASKXSPGOR-OAHLLOKOSA-N	324.515	3.974	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(Cl)n1	799406140	ZPCPVHXNTWKXTP-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC3(CCCC3)CC2)n1	811636607	KMQBWLYTUVTKOW-UHFFFAOYSA-N	305.447	3.601	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)c1nc(-c2ccccc2)no1	812242685	ZERCSOFDFSZLCU-NTEUORMPSA-N	321.311	3.948	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1coc(C(C)C)n1	815005415	ZFNCUIBHCKQJOB-UHFFFAOYSA-N	320.780	3.997	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)Nc1cc(F)cc(F)c1	815007076	MSHOSVHLTMSPDG-BLLLJJGKSA-N	315.323	3.876	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1cc(F)ccc1Br	819574292	NGVVHMVWUDJXAN-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
Cc1cc(F)c(C=NNC(=O)c2cc3c(s2)CCC3)c(F)c1	819806287	MRZOLIGEMGDBCE-UHFFFAOYSA-N	320.364	3.587	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1nccc2sccc12	825853967	CIIPARUYCGUMMT-MRVPVSSYSA-N	317.336	3.718	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)CC[C@H]1C	825997826	QARQWSPXRRCPQY-VWYCJHECSA-N	315.339	3.616	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	834437973	DBQARWMUXUOVAU-VHWUNXFSSA-N	321.376	3.751	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCCC12CCC2	834937743	WDLJFPUPLXJBKX-UHFFFAOYSA-N	306.793	3.789	50	20	DHGD	
Cc1cc(C)c([C@H](C)OC(=O)/C(C#N)=C\c2cnn(C)c2)c(C)c1	837970429	CVOBPAJXWLNKGW-QTISIFFUSA-N	323.396	3.557	50	20	DHGD	
O=C(CCCC(=O)C1CC1)NNc1cccc(Cl)c1Cl	838344941	JRJCIVGDODJMGK-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)CCc1cncs1	844344789	IPFHZPQFAIMGLP-UHFFFAOYSA-N	300.544	3.639	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)N(C)CC(Cl)Cl	848080480	JSTJCJDUAVBGAV-UHFFFAOYSA-N	312.196	3.724	50	20	DHGD	
C=CCSc1ccccc1C(=O)N(C)CC(Cl)Cl	848084003	DXTAJFQWRAXRBT-UHFFFAOYSA-N	304.242	3.840	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCOC2(CCC2)C1	897811956	OEAUNFRXJJNSAS-OAHLLOKOSA-N	316.445	3.911	50	20	DHGD	
CCn1cc(C=NNC(=O)CCc2ccccc2)c2ccccc21	916662421	QGXVSWSDYNQGAG-UHFFFAOYSA-N	319.408	3.744	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	1319482846	RERKDTKKKHLPDD-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1	1320532520	BIMMGFGMVKLOEM-BOPFTXTBSA-N	305.333	3.572	50	20	DHGD	
Cc1cccc(-c2cccc(C(=O)N3CC=C(C#N)CC3)c2)c1	1545861884	UKCJKWRTSWPASS-UHFFFAOYSA-N	302.377	3.958	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccn2)c1C	41817871	CBWUOYIGYHMOFL-SFQUDFHCSA-N	322.412	3.846	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2cccc(C#N)c2)cc1	152657491	HPVGPHGNVMSJJQ-UHFFFAOYSA-N	307.397	3.758	50	20	DHGD	
Cc1ccc(-c2ocnc2C(=O)NNc2ccccc2F)cc1	153280991	IXHDMTLNJGQOLP-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CS[C@H](C(=O)NNc1cc(C)ccc1C)c1ccccc1	178987828	PQMVBFNRIQFYCC-INIZCTEOSA-N	300.427	3.851	50	20	DHGD	
Cc1c(C#N)cccc1NC(=O)NNc1nc2ccccc2s1	179925269	SCYQQHMVARHUAW-UHFFFAOYSA-N	323.381	3.625	50	20	DHGD	
Cc1c(Cl)cc(NC(=O)NNc2ccccn2)cc1Cl	180688986	RINQSMXQYHOWTD-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1nc([C@H](C)OC(=O)CCCC[C@H]2CCSS2)no1	191683913	WLNOIAPBPGDZIK-ONGXEEELSA-N	316.448	3.696	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1OCC	207009929	QQAQEXVVLCLREQ-PTNGSMBKSA-N	311.381	3.619	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1	255172788	ROMRGOFXWWCRFZ-WDZFZDKYSA-N	317.439	3.551	50	20	DHGD	
N#CC1=CCN([C@@H]2CCCc3ccc(Br)cc32)CC1	272578373	DOUXYJVRIMGWFL-MRXNPFEDSA-N	317.230	3.982	50	20	DHGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1	280955292	KAVUYXLLFZPBKL-FCNRDGCESA-N	313.397	3.624	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1CCC(C(F)(F)F)CC1	293742632	RMHJANJAKVAONJ-UHFFFAOYSA-N	321.730	3.547	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(O)c(Br)c1	726430192	PZPZYYLEAYCYHG-ISAHRAOESA-N	308.175	3.677	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC[C@H]2CCC(C)C)n1	727255020	BCHBVZOPTXMDND-ZDUSSCGKSA-N	307.463	3.703	50	20	DHGD	
CCCCSCCC(=O)NNc1cccc2c1CCCC2	748588758	OCKFDAZQKUPHEL-UHFFFAOYSA-N	306.475	3.932	50	20	DHGD	
CCc1c(NC(=O)NNc2ccccc2)cnn1CCC(C)C	755422431	NOJHCKRRABPATD-UHFFFAOYSA-N	315.421	3.640	50	20	DHGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	766026132	STLMSACVIFVRPP-JTQLQIEISA-N	316.430	3.680	50	20	DHGD	
Cc1cccc(Cl)c1NC(=O)NNc1cccc([N+](=O)[O-])c1	767994932	ULHWHLLNJQBQQI-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)OC[C@@H](C)CBr	770405476	KBXGQEVMWPXMKN-AAEUAGOBSA-N	321.255	3.689	50	20	DHGD	
Cc1ccccc1Cn1c(NC=C(C#N)C#N)nc2ccccc21	770567898	INYJBNARGSNIET-UHFFFAOYSA-N	313.364	3.736	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCCC1	771594282	BZRYPDDAWVPMKY-UHFFFAOYSA-N	323.368	3.784	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1c(C)cccc1F	771688428	JLBUXFJLJNGSNR-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(C)c(OC)c1	772171161	DXGLTZJWGWHAAM-LFIBNONCSA-N	300.402	3.607	50	20	DHGD	
CC1(C)COc2c(C(=O)NNc3cccc(Cl)c3)cccc21	789887230	BYSHAHPGPDEVSD-UHFFFAOYSA-N	316.788	3.767	50	20	DHGD	
COC1(CC(=O)NN=C(c2ccccc2)c2ccccc2)CCC1	790255153	JISZPDYEFPAUJO-UHFFFAOYSA-N	322.408	3.514	50	20	DHGD	
CC[C@H](C)c1ccccc1OCC(=O)NCCSSC	791114027	TXHFMKSFKBDNHG-LBPRGKRZSA-N	313.488	3.706	50	20	DHGD	
CSSCCNC(=O)CCSc1ccc(Cl)cc1	791116995	SVSNVFWQJQKCDA-UHFFFAOYSA-N	321.920	3.950	50	20	DHGD	
Cc1cccnc1NNC(=O)CCSc1ccc(Cl)cc1	791213019	WGAZWRBZMZZAIG-UHFFFAOYSA-N	321.833	3.669	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3occc3c2)cc1	794686945	QFDQLXDWWMDMBL-PTNGSMBKSA-N	318.332	3.987	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1cc(Cl)ccc1O	799474683	JEMSAELSFOCUOL-UHFFFAOYSA-N	316.735	3.587	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1cc(F)c(F)cc1F	802831535	PZYNZHBQRWZSOX-UHFFFAOYSA-N	320.270	3.536	50	20	DHGD	
CSSCCNC(=O)Nc1cc(C)c(F)cc1Cl	806580734	LJNUSIUVJWXARJ-UHFFFAOYSA-N	308.831	3.920	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CC[C@H]2C2CC2)cc1	814703183	AGWCLXMOQWQIJY-SFHVURJKSA-N	321.424	4.000	50	20	DHGD	
CC[C@H](C=NNC(=O)COc1ccccc1F)c1ccccc1	814722663	KAFUMERTBWDJCD-CQSZACIVSA-N	314.360	3.500	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CC[C@@H]3C3CC3)cc2C1	814760052	YNRURDPDZDXYMY-ZWNOBZJWSA-N	302.443	3.779	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CC[C@H](C)C3)n[nH]2)cc1C	814876708	HZSOIWLNAPWPPK-NSHDSACASA-N	310.401	3.599	50	20	DHGD	
C=C(C)CCNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	838661071	RLMNEZDRCMMKJP-UHFFFAOYSA-N	323.611	3.634	50	20	DHGD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	840537150	APAQEXQDYQTZHD-NMVBRADZSA-N	312.413	3.630	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CC[C@H](c2cccc(Cl)c2)C1	841617723	MGWBNZFRQUJCDI-ZDUSSCGKSA-N	315.804	3.732	50	20	DHGD	
C/C=C(/C=C/C(=O)NNC(=S)Nc1cccc(C)c1C)CC	854185993	DEKCKIRVOUQOER-XKRUKBQYSA-N	317.458	3.534	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855469401	FDJFOOXXJZWRMT-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
C[C@H](Cc1ccccc1F)NC[C@]1(C)C[C@@H]1Br	857063714	POODMRPCMBVFPM-SWHYSGLUSA-N	300.215	3.520	50	20	DHGD	
C#CC[C@@H](NC[C@H](CBr)C1CC1)c1ccccc1	859232934	NUQRYJBFCSPFHM-JKSUJKDBSA-N	306.247	3.762	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NC1(C2CCCCC2)CC1	891277133	XXWZWOLRAROSES-QINSGFPZSA-N	310.397	3.528	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)c2nc(C(C)C)cs2)n1	899361478	ZWVDVPZOCXSNKR-XFFZJAGNSA-N	313.382	3.512	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	915853101	HPTNOCNKBLXNNK-SAPNQHFASA-N	312.413	3.927	50	20	DHGD	
CCO[C@@H]1C[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	916092681	ZSGGRKCKVKSYBC-GMSGAONNSA-N	323.607	3.515	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OC/C=C\c2ccccc2)c1	916601769	RIYBLMQYDSNPOR-YCAIJGGISA-N	319.360	3.859	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)C3CCCC3)cc2)cn1	1116890402	XBCLNCODMIWGRK-YVLHZVERSA-N	305.381	3.753	50	20	DHGD	
O=C(/C=C\c1nccs1)NNc1c(Cl)cccc1Cl	1263758494	BDWMLSLEUUFPIV-PLNGDYQASA-N	314.197	3.606	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc2c(c1)CCC2)c1ccccc1	1322142833	XZFSETKQPMSCEU-UHFFFAOYSA-N	306.409	3.603	50	20	DHGD	
CCN(C(=O)CCl)[C@@H](c1ccc(Cl)cc1)c1ccccn1	1341509281	AOANNXRXKOZTSY-INIZCTEOSA-N	323.223	3.912	50	20	DHGD	
Cn1nc(C2CCCC2)cc1NC(=O)C1CCC(Cl)CC1	1346530658	HDCFWGXXYXMJDO-UHFFFAOYSA-N	309.841	3.814	50	20	DHGD	
Cn1ccc2ccc(NC(=O)NNc3ccccc3Cl)cc21	92765503	IMZWNZJOWSULGZ-UHFFFAOYSA-N	314.776	3.980	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCCSC)c1C	98070335	BTHHPETUYRBUNR-WJDWOHSUSA-N	320.458	3.718	50	20	DHGD	
COc1ccsc1C(=O)NNc1cccc(C(F)(F)F)c1	106283475	OYIMHURAHLABCC-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(Cl)ccn1	151861382	JAHNLLJCQFAKGI-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(C(F)(F)F)ccc1F	152956626	GGYDXXXOLNBIMA-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC)c([N+](=O)[O-])c1	171752990	NQMYEJBJMQUCAC-JYRVWZFOSA-N	302.330	3.516	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(COC)c2)cc1	174053648	DQAJXYKUYAHMFS-LDADJPATSA-N	320.392	3.941	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1cc(Cl)ccc1Cl	186561078	WJEKOLZLESCDTF-WKMLFNHBSA-N	313.184	3.615	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])c(O)c2)c1	255024200	GZLRGOQXUXMQNP-OVCLIPMQSA-N	322.320	3.707	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)CCO1	271920586	UKZQJMLLRNGEOH-HOTGVXAUSA-N	310.397	3.671	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)cc1)NNc1cc(Cl)ccn1	588396509	QXQSZMATECNKGM-UTCJRWHESA-N	308.168	3.545	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	588578394	XOFNJOIOMOGZPS-QINSGFPZSA-N	316.320	3.845	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(Br)c1	726430527	TXTBWSVJSIVOEA-VPMLRQHESA-N	322.202	3.980	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1F	727653642	UIVSJGFJGHTCHK-NTEUORMPSA-N	311.316	3.864	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1C	727976382	RCJFHEYYQCNTLT-YBEGLDIGSA-N	322.412	3.682	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNc1c(F)cccc1F)CC2	735760076	KXTLHPMMSWMBOH-OAHLLOKOSA-N	317.339	3.587	50	20	DHGD	
Cc1nc(C)c(C=NNC(=O)c2ccc3ccccc3c2)s1	736430211	RMOWEOKXNAXPGK-UHFFFAOYSA-N	309.394	3.677	50	20	DHGD	
CCc1ocnc1C(=O)NN(Cc1ccccc1)c1ccccc1	739466137	NSZNZCCXKCBCSP-UHFFFAOYSA-N	321.380	3.589	50	20	DHGD	
O=C(NNc1ccccc1F)c1cccc(C(F)(F)F)c1F	748056228	LCZIYVDNTRBUHT-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(Cl)nc1	748786522	UDVQAEDSMLLKGX-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)CCc2ccccc2)s1	749744739	IIYJUSYTDSHXGG-UHFFFAOYSA-N	300.427	3.784	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc(Cl)c(F)c1	749744750	IWVNUZAUJICNCW-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
Nc1ccc(C(=O)NN=C2CCCC[C@H]2c2ccccc2)cc1	751350978	FEDSCTPKNJWJQE-KRWDZBQOSA-N	307.397	3.712	50	20	DHGD	
N#C/C(=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncn1	758911771	KYPXKHZTOBCROL-LCYFTJDESA-N	318.292	3.709	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1	760023004	QIAQVVGXLPWXSN-VJSYINPZSA-N	312.413	3.917	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1	766778563	MPGJWAMOFVYNDX-ZROIWOOFSA-N	310.309	3.676	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](c2ccccc2)C[C@@H]1C	790880662	WDECEHUYEYPGHB-GXTWGEPZSA-N	310.488	3.585	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C/c1cccc(O)c1	794950505	YGDLKQNBDZAJNJ-ZHACJKMWSA-N	310.397	3.981	50	20	DHGD	
COc1ccnc(NCc2ccc(OCCCCl)cc2)c1	811485539	PEKYREWNHKELRC-UHFFFAOYSA-N	306.793	3.710	50	20	DHGD	
CC(CC1(C(=O)O)CCC1)=NNC(=O)c1ccc2ccccc2c1	814810469	NPPKLZMGRPPDFH-UHFFFAOYSA-N	324.380	3.591	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CCCC12CCCC2	814840201	GCAIIFUEWCCFIV-UHFFFAOYSA-N	300.402	3.541	50	20	DHGD	
Cc1sccc1C=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	814916223	CTLVLQRFUQUAAJ-SNVBAGLBSA-N	322.817	3.628	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C/C=C\c2ccco2)c1	814991880	BUHTZTKKLXKUCN-DFTXPOBQSA-N	319.748	3.762	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(Cl)s2)cc1	814997640	YCRZNSCPPLJENO-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC[C@@H]1CCCCC1(F)F	837563176	WHQGCKWIXDBZRN-XXYUJHKVSA-N	321.323	3.668	50	20	DHGD	
Cc1ccc(-c2nn(C)cc2/C=C(/C#N)C(=O)C2CCCC2)o1	843266286	UCCKAMATELOYOA-ZROIWOOFSA-N	309.369	3.655	50	20	DHGD	
CC(=O)c1c(F)cccc1NC[C@]1(C)C[C@H]1Br	856785273	HZPYFVVZPFCKOO-YPMHNXCESA-N	300.171	3.614	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)NC[C@]1(C)C[C@@H]1Br	856808583	APJGLKIADOCNOL-SWHYSGLUSA-N	300.215	3.520	50	20	DHGD	
Cc1nc([C@H](C)NC[C@]2(C)C[C@@H]2Br)c(C)s1	857066168	YNRZDHSKMXOMNR-JWYUURKGSA-N	303.269	3.584	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1cccc(Cl)c1Cl	861956956	KZEBHTFBPAIICE-UHFFFAOYSA-N	300.189	3.766	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1cccc(OC(C)(C)C)c1	865223415	HQTYCUGKFCOAIC-PTNGSMBKSA-N	307.415	3.553	50	20	DHGD	
Cc1nc(C(C)C)ncc1C(=O)NNc1cccc2c1CCCC2	879251331	IOSIKSAEJFIVPH-UHFFFAOYSA-N	324.428	3.544	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)c(F)c2)c(C(C)C)n1	885114086	STAZMSPKPMVWJX-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c1	915295160	MGRZAIPOVNURPI-HNNXBMFYSA-N	324.424	3.703	50	20	DHGD	
CCC(=NNC(=O)c1ccncc1)c1ccc(Cl)c(Cl)c1	916243196	MHJOPAKLMDAETH-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
CCC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1	916338715	QUWKBAZUYCJFCL-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)cc1F	917571174	CYYDJAHXQIDJNX-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	1321458936	SLMGBZROAXTNMG-DHDCSXOGSA-N	322.364	3.563	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(Sc2ccccc2)CC1	1341007414	VSHCNOASBYMNDZ-UHFFFAOYSA-N	320.364	3.733	50	20	DHGD	
O=C(NCc1c(F)c(F)cc(F)c1F)C1CCC(Cl)CC1	1348090860	BAGKPXNZHZZGLF-UHFFFAOYSA-N	323.717	3.657	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)O)ccc1OCc1ccccc1	7155550	TYWQAFSZIOAABD-MHWRWJLKSA-N	323.348	3.656	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2)c(C)n1-c1ccc(F)cc1	111552177	LSTUQUAATRHVGK-UHFFFAOYSA-N	323.371	3.990	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)Cc1ccc(F)cc1	119041210	OHDZIOFRZSYTSI-LBPRGKRZSA-N	304.340	3.595	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1ccncc1Cl	126899966	XTLFGPBODZLMAX-ZDUSSCGKSA-N	317.820	3.837	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccccc1F	128912274	YZDMEWSTGOOLDW-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(F)c(Cl)cc2F)c1	134714799	WAYKPNPEIITRCE-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2C[C@H]2c2sccc2C)c1	158816803	LFEIOMIMNJWACW-CABCVRRESA-N	300.427	3.920	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1	176954931	JVGSQVOGKNZPOE-GDNBJRDFSA-N	323.421	3.842	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccnc2ccccc12	181135845	SAJDNYIQVBRQID-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CN(Cc1cccc(F)c1)C(=O)/C(C#N)=C\c1ccc(F)cc1	181725834	KZHZBTRULBUSRV-DHDCSXOGSA-N	312.319	3.530	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC1Cc2ccccc2C1	186792815	HXFZODKVVAQNQI-INIZCTEOSA-N	321.511	3.984	50	20	DHGD	
Cc1nc(Cl)ccc1NC(=O)NNc1ccccc1Cl	194600721	SMMJQEBWABSVKM-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
C=C(CBr)CN(Cc1ccco1)Cc1ccco1	279326254	GUEIHRIMQRCTSB-UHFFFAOYSA-N	310.191	3.826	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)c1cnc2ccccc2n1	588580261	DJMWAMXWCMUUKZ-QINSGFPZSA-N	323.359	3.880	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)cc1C	734304852	YFXWQAYDSCDOHJ-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
CCOC(=O)NN=C(C)c1ccc(SCC(F)F)cc1	741757403	PFCYMKIFINWVSE-UHFFFAOYSA-N	302.346	3.514	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc2cc(Cl)ccc2[nH]1	743818260	PQJYCHPGQBPSRG-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)[C@H](C)c1ccccc1	746366502	OLGJECDUAGDZAC-HNNXBMFYSA-N	309.413	3.703	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(Cl)c[nH]1	752810752	DZEIOBCCFHFKHO-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C#N)c(Cl)c1	753307021	YVBGVUIPYMCGRV-VXGBXAGGSA-N	305.809	3.871	50	20	DHGD	
C[C@@H](CC=NNC(=O)COc1ccc(F)cc1)c1ccccc1	755550738	BCHLMQDTOPDCQQ-AWEZNQCLSA-N	314.360	3.500	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1cncc(C)c1	767371307	WJWKOJPRUDJKGT-UHFFFAOYSA-N	317.392	3.626	50	20	DHGD	
Cc1nc(CC(C)C)c(NC(=O)NNc2ccc(F)cc2)s1	770064943	AHVSAEGMYPUJLI-UHFFFAOYSA-N	322.409	3.938	50	20	DHGD	
CCc1cccc(C(=O)NNc2c(F)cccc2Cl)c1O	771673184	VTXYMKKQYXEBMO-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C2(Cc3ccc(F)cc3)CC2)c1	783679502	MSHSBOUAHHWACK-UHFFFAOYSA-N	312.388	3.909	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccc(C)nc2C)ccc1Cl	788630973	OUYRWOKUXRGCHE-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
COc1cc(NNC(=O)C=C2CCC(C)CC2)ccc1Cl	790178796	BQXQAXTYPDZBLT-UHFFFAOYSA-N	308.809	3.928	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791071119	WXPNFAQKOPGTGZ-SNVBAGLBSA-N	311.357	3.639	50	20	DHGD	
Cc1cccnc1NNC(=O)c1sc2cccc(F)c2c1C	791223467	FDOQROOUJHQBPU-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)C1CCCC1	794875143	MXERURDNIPFRRM-VBKFSLOCSA-N	305.381	3.847	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc2occc2c1	794905123	POARTNWMIYXEIU-UHFFFAOYSA-N	306.365	3.906	50	20	DHGD	
C=C(CBr)COC(=O)C1(c2ccccc2)CCC1	795363203	DYRCAQVBPLOTEV-UHFFFAOYSA-N	309.203	3.603	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CCC(F)(F)C2)c(C)c1	797559335	LSLOWEDFHPZMPM-CYBMUJFWSA-N	311.376	3.673	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccn(-c2ccccc2)n1	799757504	BHLYLAIGWIZGTQ-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)NCCc1ccccc1	799888895	ITTKYORWRNNZGM-PDGQHHTCSA-N	324.811	3.691	50	20	DHGD	
Cc1coc(C)c1C(=O)NNc1ccccc1OC(F)(F)F	803126953	PNUFUNNRGYWFTQ-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cccc(C)c1C	806088468	WGQRAWPQPODLMJ-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
N#CCCCCCC(=O)NNc1cc(Cl)cc(Cl)c1	807391627	BCYWBHMLHGVXRC-UHFFFAOYSA-N	300.189	3.911	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ocnc1C1CC1	809704637	DMUDHMKXLLQIOS-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)c1sccc1C	812241529	JJTDLPIEZPSAMD-GHXNOFRVSA-N	301.342	3.994	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1CC[C@@H]1C1CC1	814753910	FNLPLUCPNKIQJT-CQSZACIVSA-N	306.406	3.600	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(F)c(Cl)c2)cc1	814998124	UFRFZCWLUGDVDS-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
Cc1c(C(=O)OC[C@@H](C)CBr)ccn1C(C)C	815315379	DBOZWHOUDLVEDZ-JTQLQIEISA-N	302.212	3.565	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	836933701	NDFUDQOVWJTOEI-UKRRQHHQSA-N	324.852	3.933	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cnc(C(C)C)s1	836934406	XAVBHVQNYNILKR-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc3c(s2)CCOC3)cc1	837055407	FAYFQWLHACXERH-UHFFFAOYSA-N	316.426	3.701	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1cccc(O)c1Br	840717896	UYIPJNYJBZODMJ-XFFZJAGNSA-N	308.175	3.677	50	20	DHGD	
Cc1ncsc1CCN(C)CCO[Si](C)(C)C(C)(C)C	844343512	JKWCXZKPHACZEU-UHFFFAOYSA-N	314.571	3.948	50	20	DHGD	
CC[C@](C)(OC)C(=O)NNc1ccccc1Cc1ccccc1	846462911	YVNHBYYUCJKJGF-IBGZPJMESA-N	312.413	3.536	50	20	DHGD	
Cc1cccnc1CN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852524126	GQFNLLUFUQPKMZ-OAHLLOKOSA-N	306.526	3.986	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2cccc(F)n2)C1	852524143	OECSGBSIBUTXGV-AWEZNQCLSA-N	310.489	3.817	50	20	DHGD	
CN1CCC[C@H]1CCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852524352	JVBDFAJHSDUYTI-HOTGVXAUSA-N	312.574	3.567	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@]1(c2ccccc2)CC1(C)C	854477924	BJQXZBJMPVFOLP-OAHLLOKOSA-N	300.229	3.616	50	20	DHGD	
CCCC[C@H](C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C(C)C	857182330	HVNSZKFABXPQEG-LBPRGKRZSA-N	311.357	3.639	50	20	DHGD	
Cc1ccc([C@@H](C)N(C)S(=O)(=O)CC(C)(C)CCl)cc1	866515918	NZQAXUJSGAQASS-CYBMUJFWSA-N	317.882	3.583	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1C[C@H]1C(F)(F)F	871207042	RTPNRPSPTZTJDV-OPRDCNLKSA-N	313.410	3.768	50	20	DHGD	
COc1ccccc1CC(C)=NNC(=O)c1c[nH]c2ccccc12	916287388	BBYIHHIJVJBYQF-UHFFFAOYSA-N	321.380	3.525	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1	916350973	ULFBJDQJLLVNPI-CYBMUJFWSA-N	300.789	3.788	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	916552284	DDHNGCOSGPEMFI-UHFFFAOYSA-N	304.340	3.920	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3ccc(C(C)(C)C)cc3)CC2)n1	1118884669	MTROQHOLOVLIAG-UHFFFAOYSA-N	323.440	3.862	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1cc(Cl)ccc1[N+](=O)[O-]	1325395306	BOOHDTKUUXLFRB-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@H](Cc3ccccc3)C2)cc1	1343871256	JFBTUQAVRNWERG-MRXNPFEDSA-N	322.408	3.824	50	20	DHGD	
O=C(Nc1cccc(-n2ccnc2)c1)C1CCC(Cl)CC1	1348540462	MMEWTSQNMKHFSQ-UHFFFAOYSA-N	303.793	3.608	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	1776045174	ZJJJTJJFFDDSBL-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
COC(=O)/C(C#N)=C/c1c(OC(F)F)ccc2ccccc12	7154488	RYCBREDQDMKXDO-DHZHZOJOSA-N	303.264	3.521	50	20	DHGD	
CC(C)N(Cc1cccc(Cl)c1)S(=O)(=O)CCCCl	37842607	ZUFKKMNMHFUOFQ-UHFFFAOYSA-N	324.273	3.509	50	20	DHGD	
CN(Cc1cccnc1)C(=O)CCCC[C@H]1CCSS1	123033243	MZGYRGROWPRMJL-AWEZNQCLSA-N	310.488	3.754	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cn1	123211396	IPAWOEFFNVRYGA-UHFFFAOYSA-N	321.327	3.563	50	20	DHGD	
Cc1cccc(NNC(=O)c2sc(C)nc2CC(C)C)c1	124919327	RKOBLFWNLYHGBZ-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCCC[C@@H]1C(F)(F)F	156540589	XEHKMEFTVKZEOP-IUCAKERBSA-N	322.277	3.777	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)cc([N+](=O)[O-])c2)c1	158982515	BBOFRGYHBWVXIF-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2csc(-c3ccco3)n2)c1	159004185	JJNJCAVMDRCNDV-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cnc2c(C)cccn12	172691838	MKULWJJGBYUPBV-MDWZMJQESA-N	307.378	3.803	50	20	DHGD	
CCO[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	175408399	VOIFDXOYEFWSBO-OAHLLOKOSA-N	322.767	3.700	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1C	180571036	XUGDTIVZGCOBSC-OQLLNIDSSA-N	310.357	3.801	50	20	DHGD	
O=C(NNc1ccccn1)c1cc2c(s1)-c1ccccc1CC2	181177118	VDHARNNVGBOTAZ-UHFFFAOYSA-N	321.405	3.666	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1c(C)cccc1F	184310454	IBGJUFOCRBEXRK-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
C=C[C@H](CC(=O)NNc1nccnc1C1CCC1)c1ccccc1	287211353	NSNUHONYVOYFAN-CQSZACIVSA-N	322.412	3.547	50	20	DHGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)Nc1ccccc1	490639671	YIIFEEBJAWMTSK-XYOKQWHBSA-N	322.755	3.533	50	20	DHGD	
CN(N=Cc1cc(Br)cs1)C(=O)OC(C)(C)C	490786527	FNQRIVMENRAUAO-UHFFFAOYSA-N	319.224	3.711	50	20	DHGD	
Cc1cc(C(=O)NNc2nccc3sccc23)sc1C	734249858	KBKKYSGYXDSNKZ-UHFFFAOYSA-N	303.412	3.732	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CCc2c(Cl)cccc21	734273712	ZEYSBAIPCMQIBL-HNNXBMFYSA-N	301.777	3.654	50	20	DHGD	
CN(NC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1)c1ccccc1	738498267	ZDYLWYNJYXLIOH-HKUYNNGSSA-N	323.440	3.748	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C12CCC2	741162497	FKKHIHPWDCZJMG-GOSISDBHSA-N	322.408	3.905	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1oc(C(C)C)nc1C#N	742057547	BHWHARPOPJYJMI-GFCCVEGCSA-N	306.410	3.719	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)C[C@@H](C)CC)cc1	742720134	QLURKWUCAKYRKE-YGCPDCGUSA-N	314.429	3.933	50	20	DHGD	
CC[C@H](C)[C@](C)(O)CNC(=O)CCCC[C@H]1CCSS1	743480695	GBCULMBVHQWOHX-KCQAQPDRSA-N	319.536	3.614	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H]1CC=CCC1	752979109	CUOPFELQGIKPHT-SNVBAGLBSA-N	300.189	3.728	50	20	DHGD	
CCCCC[C@@H](C(=O)NNC(=O)CCc1ccccc1)C(C)C	755254431	VEOIRLCQGDDGRS-QGZVFWFLSA-N	318.461	3.619	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)c1cccc(C#N)c1	756889775	PKSNHCNZHBZIGP-UHFFFAOYSA-N	311.772	3.592	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1(CC(C)C)CCC1	757369295	DSVBFVJCUWKDQK-UHFFFAOYSA-N	307.346	3.725	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)CCc1ccccc1	764910820	BOWRUYCHDGWPBO-UHFFFAOYSA-N	300.427	3.806	50	20	DHGD	
Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c(C)o1	767907263	CAGAUKAWUFZHPK-UHFFFAOYSA-N	311.168	3.967	50	20	DHGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1CCCCC1	768183563	YYKALLVCLIASJA-JQWIXIFHSA-N	304.272	3.881	50	20	DHGD	
CCC[C@H](C=NNC(=O)c1cccc(C#N)c1)c1ccccc1	769576287	VSRLCZLOJSFXDU-GOSISDBHSA-N	305.381	3.858	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(F)c(Cl)c1	770404827	RQERPGYFEGDODP-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(/C#N)c1cc(SC)ncn1	773149856	LDQYRJKZTPCGEP-WZUFQYTHSA-N	317.801	3.925	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNc2cc(Cl)ccn2)c1	778661584	LHSBKMATSSTVEO-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccccc1OC(F)(F)F	779210888	QGPKXFKTTAMTQD-KTKRTIGZSA-N	302.296	3.775	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(F)ccc2O)cc1	780806557	YHYXCVYVKAIDCB-UHFFFAOYSA-N	302.349	3.586	50	20	DHGD	
Cc1ccc(-c2cc(COC(=O)/C(C#N)=C/C3CC3)on2)cc1	786670921	SLVYXQVRAGNAFH-OVCLIPMQSA-N	308.337	3.553	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1csc(-c2ccsc2)n1	786680861	OQUODHAVSVSGJO-LFYBBSHMSA-N	316.407	3.775	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc(Cl)c(C)c1	788184479	MIWAOQVERGBMPI-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CSSCCNC(=O)CSc1ccc(Cl)cc1	791099964	KVFUBEFXFFPYEA-UHFFFAOYSA-N	307.893	3.560	50	20	DHGD	
O=C(CCc1cscn1)NNc1cc(Cl)cc(Cl)c1	791734097	PSXIGHOUKRVORC-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)C1CCOCC1	794958933	PQZVSRGEIHTQIZ-FMIVXFBMSA-N	315.756	3.989	50	20	DHGD	
C[C@@H](Br)c1nc(=O)c2cc(Cl)c(Cl)cc2[nH]1	797400144	OWVORODBGIIWFG-SCSAIBSYSA-N	321.989	3.686	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ncccc1Cl	810406198	XAOMJWBSQJBAKK-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cccnc1Cl	810494194	OCACPEDEGHRCTO-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC(C)(C)C2)c(C)n1-c1ccccc1	814704057	KFRYZYVLFDZMTG-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1cccc(Cl)n1)c1ccccc1	817006262	CKNFIVFYIWHMRI-LBPRGKRZSA-N	301.777	3.538	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1scnc1C(C)C	823699707	LYHQAMGHADBABD-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
CCOc1nccc(C)c1C(=O)NNc1ccc(C)cc1Cl	836936109	YOWZOQKNBAEXMX-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)N[C@@H]1CCCSC1	838504475	PHPJTOXAMIJNNL-MRVPVSSYSA-N	320.245	3.515	50	20	DHGD	
COc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1c(C)cc(C)cc1C	839696639	LZCZRSLKUIPPFM-DLBZAZTESA-N	324.424	3.867	50	20	DHGD	
O=C1/C(=C/c2ccc(OCCCCl)cc2)CCn2nccc21	853010417	ZWIIKIRUWPZXHE-WYMLVPIESA-N	316.788	3.561	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC3(CCOCC3)CC2)c1	863155293	FIQJXIAYDKMBML-UHFFFAOYSA-N	306.431	3.513	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC[C@@H](c3cccnc3)C2)c1	863156460	BETYFYJMVNJMCD-CYBMUJFWSA-N	313.426	3.895	50	20	DHGD	
CN(C)c1cc(F)c(/C=C(/C#N)C(=O)C2CCCC2)cc1F	863188402	URMJEHLPQNPNON-QPEQYQDCSA-N	304.340	3.697	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)c(N(C)C)cc1F	863189973	KEYRWEHIKPZTRH-GHXNOFRVSA-N	306.356	3.943	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2cc(Cl)ccc2C)C1	885126949	JIKCRIXYLKHXSI-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Nc2cnn(C3CCC3)c2)c(C)c1	898042368	OAXMKEQIAIHGJA-UHFFFAOYSA-N	313.405	3.682	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(Oc2ccccc2)c(F)c1	917534952	RRSNYMDFGIGYHL-UHFFFAOYSA-N	312.344	3.868	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c(C)n[nH]c3C)c[nH]c2c1	920068219	LUDNIRSQDSKTDK-NTUHNPAUSA-N	304.353	3.606	50	20	DHGD	
CCn1ccnc1[C@H](C#N)C(=O)CCCC[C@H]1CCSS1	1263617062	SRCHTKQRBQJHFB-QWHCGFSZSA-N	323.487	3.793	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1ccc(C(C)(C)C)nn1	1320141096	IVPCBMFCGQOZHU-LBPRGKRZSA-N	306.454	3.680	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1321228103	DFZVZJDVXQPZJX-FBJMNJBLSA-N	307.397	3.999	50	20	DHGD	
CN(C)c1ncccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	1330057460	HMNZPELVKMULDN-XYOKQWHBSA-N	318.302	3.626	50	20	DHGD	
CC(C)[C@H](O)[C@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1347831366	JLYKLYGZPJUCOL-BACDZXNISA-N	323.864	3.658	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	1552140588	JRSVXSNMNDCYNB-IJMQIQAESA-N	318.166	3.521	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045010	FUSMYBSMKDZUIT-UHFFFAOYSA-N	305.378	3.709	50	20	DHGD	
O=C(NNc1nc(Cl)c(Cl)cc1Cl)NC1CCCC1	42297032	UFQQNTJFMGOPJQ-UHFFFAOYSA-N	323.611	3.611	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cccc(-n2cccc2)c1	78435762	YCKRDRPGWSLHGI-UHFFFAOYSA-N	313.307	3.512	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccccc2Cl)cc1	91983781	CKATYVJNQYOTBR-UHFFFAOYSA-N	305.765	3.887	50	20	DHGD	
CN(C)c1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	119906811	ZRIMJSXUKDWTCL-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(-c2cccnc2)c1	127729677	TWASFTNEMZCLMT-CPNJWEJPSA-N	319.408	3.962	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(C(F)(F)F)ccc1F)C1CC1	129009226	HZUPKJALHXBHAV-VURMDHGXSA-N	302.271	3.644	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3cccc(C#N)c3)cc2C1	152257589	AMFLSVJPPJXFIA-NSHDSACASA-N	311.410	3.501	50	20	DHGD	
COc1cccc(SCC(=O)NNc2cc(C)cc(C)c2)c1	158684910	ZRYOIXCYZIMFJM-UHFFFAOYSA-N	316.426	3.547	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(Oc2ccccc2)o1	176002301	NHNIOYAYRKSJDD-UHFFFAOYSA-N	312.300	3.968	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177611320	AKUHWJOEMBNWHJ-DHZHZOJOSA-N	317.439	3.695	50	20	DHGD	
O=C(NNc1ccncc1)c1cc2ccccc2c2cccnc12	180517732	IEMSUOLJIHYDGP-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1nc2ccccc2cc1C	181268572	HROMZYKPBIZLJT-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
CCOc1ccccc1NC(=O)NNc1c(C)cccc1F	183935185	KWLGOTQFUIAIEH-UHFFFAOYSA-N	303.337	3.681	50	20	DHGD	
C[C@@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184407162	DOXVWLBRFHHUPY-ZETCQYMHSA-N	320.283	3.846	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)NCCc1ccccc1	195222840	CAUBHXXQBSBJHI-MDWZMJQESA-N	316.813	3.667	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/C2=Cc3ccccc3OC2)c1	213321493	CEOKOVXVUOVUCO-LICLKQGHSA-N	317.344	3.804	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccn1	263768739	SSCMQKAMKDTCTG-OLZOCXBDSA-N	310.488	3.973	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1	270936543	LUDNSNHZOQTJLY-GJZGRUSLSA-N	321.207	3.779	50	20	DHGD	
O=C(NNc1cccc(F)n1)C1(c2cccs2)CCCCC1	286671841	WFHGHAGTSRFDMT-UHFFFAOYSA-N	319.405	3.627	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)C=C2CCC(C)(C)CC2)c1	294004004	UGYJZOIHLVOPAM-UHFFFAOYSA-N	315.417	3.615	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1[N+](=O)[O-]	588580200	CMMJXZVUBIDADB-ZSOIEALJSA-N	316.320	3.911	50	20	DHGD	
Cc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)cn1	732147978	IGSUSIWZJCSQSR-HNNXBMFYSA-N	324.515	3.763	50	20	DHGD	
CCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1	747643986	UCUIZQUUBBXARI-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CC(C)c1ccccc1OCCC(=O)NNc1ccccc1F	752143104	YJLRJIFVIIUVQE-UHFFFAOYSA-N	316.376	3.861	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)c1ccc(Cl)cc1F	755754987	IBPPGNIDQCYNFV-IUODEOHRSA-N	316.763	3.998	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)C1CCC1	756732244	BRIGUCDKQXECTK-QMMMGPOBSA-N	319.302	3.659	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756769245	TYNVUBXNRIMFRG-SOUVJXGZSA-N	324.428	3.679	50	20	DHGD	
CC(CC1CC1)=NNC(=O)COc1ccc(Cl)cc1Cl	756816897	YOHKEAOLAKTKMT-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
COc1ccc(C[C@H](C)C=NNC(=O)CC(C)(C)C)cc1F	758110136	VAYWJXQAJSGQPP-LBPRGKRZSA-N	308.397	3.551	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@@H](c1ccccc1)C1CC1	770407339	KCHBPDYVWUALPC-FZMZJTMJSA-N	311.219	3.754	50	20	DHGD	
O=C(CCCC(F)(F)F)NNc1cccc2c1CCCC2	770811836	PWINDEFCPFDAQV-UHFFFAOYSA-N	300.324	3.741	50	20	DHGD	
CC[C@@H](C(=O)NN=CCCc1ccc(C)nc1)c1ccccc1	774386116	ZPQRRGADPPQTSP-GOSISDBHSA-N	309.413	3.618	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCc2c(Cl)cccc21	775781822	LALRVDRUZJCCDH-CQSZACIVSA-N	318.779	3.961	50	20	DHGD	
Cc1cc(Br)ccc1COC(=O)/C(C#N)=C\C1CC1	786678220	PORQUVFUDWJSOF-QPEQYQDCSA-N	320.186	3.661	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12)c1ccc[nH]1	790153874	NQQQZBNBKCIQFN-UHFFFAOYSA-N	321.167	3.567	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCC[C@@H]2CCF)cc1	794876910	AAAACLBTHCWTIM-CYBMUJFWSA-N	308.422	3.719	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1cccc(N(C)C)c1	797400380	ZLBMSAXVRZYGFC-KBPBESRZSA-N	301.434	3.685	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)COC1CCC(C)CC1	799754223	DNCSDFNDLAJPOE-UHFFFAOYSA-N	304.434	3.596	50	20	DHGD	
CCCCOc1cccc(NC(=O)NNc2cccc(F)n2)c1	806226167	JCFQUCGZWRFDII-UHFFFAOYSA-N	318.352	3.548	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1C(F)(F)F	808248218	FZEJULWLYGMCMG-UHFFFAOYSA-N	300.107	3.581	50	20	DHGD	
CC(C)(NCCO[Si](C)(C)C(C)(C)C)C1CCOCC1	808754689	YKYKFTGOTARCHX-UHFFFAOYSA-N	301.547	3.803	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cnn(CC(F)F)c2)c1	814182708	KRUSQRNHMIUGBB-UUASQNMZSA-N	315.323	3.555	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1cccc(CN(C)C)c1	814806698	MYGMNCDKNNCESK-UHFFFAOYSA-N	324.428	3.602	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)Nc1ccc(Cl)cc1	815005359	VECGBXZTUGLFEW-UHFFFAOYSA-N	316.792	3.843	50	20	DHGD	
Cc1cc(O[C@@H](C)C(=O)N(C)CC(Cl)Cl)ccc1Cl	816629595	SOYJISRUNIGPJJ-VIFPVBQESA-N	324.635	3.678	50	20	DHGD	
N#CSCCCNC(=O)C1CCC(c2ccccc2)CC1	819699240	WEHBDXSDWTYOFP-UHFFFAOYSA-N	302.443	3.681	50	20	DHGD	
C[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)CC2(CCCC2)O1	830854207	OMZOMVZISSHESS-WZCGUGGKSA-N	300.377	3.724	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(OC)cc2)c1	834430620	UIAHLXMNMPPAHU-DWKHYPNZSA-N	323.396	3.793	50	20	DHGD	
C=C(CBr)CNC1(c2cccc(OC)c2)CCC1	852694152	PEMHZYWPVUTRLR-UHFFFAOYSA-N	310.235	3.615	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1CCC[C@H]1Cc1ccccc1	854451202	UTOITMNNTOTCCF-STQMWFEESA-N	300.229	3.565	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(C(F)(F)F)CCCCC1	854478217	DZIWWMPBRBIETD-UHFFFAOYSA-N	306.155	3.761	50	20	DHGD	
CSCC(C)(C)NC(=O)CCCC[C@H]1CCSS1	890878054	SXEPAWDRDNMRHR-NSHDSACASA-N	307.550	3.958	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cc(C)ccc1OC(F)F	916266626	MJLFDHQDQBBQGL-UHFFFAOYSA-N	314.332	3.845	50	20	DHGD	
O=C(CCl)N[C@H](c1ccc(Cl)cc1)c1cccs1	1341509562	HYNSZZKVTTVBKY-CYBMUJFWSA-N	300.210	3.846	50	20	DHGD	
CC[C@H](C)n1nccc1C(=O)NNc1ccc(Cl)cc1C	1522162396	XTLYGRGOUXXPJH-NSHDSACASA-N	306.797	3.573	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1	48009	NUWYUMUMKJCGJC-NTCAYCPXSA-N	322.364	3.640	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(C#N)c(Cl)c2)c(C)c1	132706581	WIPUOEDKNRDMNG-UHFFFAOYSA-N	313.788	3.894	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(F)cc1F	153622884	KFGMYAUQJVFQMU-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2ccccc2C(F)(F)F)cc1	158739105	GDQMUALAIHOTSZ-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2ccc(F)cc2C)c1	160745495	XZKTYXDVEFFZKZ-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
CC(C)Oc1c(Cl)cccc1NC(=O)NNc1ccccn1	180695121	RXGFEUCTIKMYMI-UHFFFAOYSA-N	320.780	3.671	50	20	DHGD	
Cc1nc(Cl)ccc1NC(=O)NNc1cccc(Cl)c1	194585662	YLOLVWJLEWNZOJ-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC2CCCC2)c1C	255942237	FXBHNWHVSGKNFK-WJDWOHSUSA-N	300.402	3.908	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc(Cl)cc(C(F)(F)F)c2)CC1	275347787	QATRZASGUMYNSF-UHFFFAOYSA-N	314.694	3.655	50	20	DHGD	
CC(C)(C)c1ccc(=O)n(CCO[Si](C)(C)C(C)(C)C)n1	298341064	OEQFDBCZRBBIQL-UHFFFAOYSA-N	310.514	3.563	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)nc2)cc1	490726872	VJUMCKWBXGQRCH-ZROIWOOFSA-N	311.772	3.843	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cccc(C)c2)cc1	588559196	YDPLSTUKYBULIE-BRFSQIRFSA-N	320.392	3.788	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cn1	588597301	IAUWFUKUGWXKTC-ZSOIEALJSA-N	302.337	3.563	50	20	DHGD	
CC1(CNC(=O)NNc2ccccc2C(F)(F)F)CCCC1	731284080	PVIWMHIKZJUUSP-UHFFFAOYSA-N	315.339	3.912	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)c(C)o2)c1C	738682253	PRUKXNXRHRJEFX-NTUHNPAUSA-N	309.321	3.693	50	20	DHGD	
C/C(C=NNC(=O)Nc1ccc(N(C)C)cc1)=C\c1ccccc1	741766258	AMABZUSUOJLRLI-SHQWNLCCSA-N	322.412	3.963	50	20	DHGD	
CCc1ccccc1NC(=O)CN(C)/C(=C/C#N)c1ccccc1	750792066	YPASUKJGWJHGCL-CPNJWEJPSA-N	319.408	3.684	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCC2(C)CC2)c(C)n1CC(C)C	752390533	QFHJBMAKIVZXMW-RQZCQDPDSA-N	313.445	3.584	50	20	DHGD	
Cc1cc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)c(C)s1	754546866	QMGXBPNOWAZPGJ-ZSOIEALJSA-N	313.378	3.721	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1c(F)cccc1F	756017973	PQKFABSPVHTHLA-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1ccc(Cl)nc1	756790901	WCLBIKGINQHNLL-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccncn2)cc1OCC(C)C	758917718	ZBUCQZBLLFQXAF-OVCLIPMQSA-N	309.369	3.584	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCOc1ccc(Cl)cc1	771702418	YKVYCRUKFYRYKG-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	772215802	KKBOUTFHOVBLKI-JTQLQIEISA-N	311.769	3.518	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1c(F)cccc1Cl	790879112	PFXBAGCZQCENSQ-UHFFFAOYSA-N	322.858	3.632	50	20	DHGD	
Cc1nc2c(C(=O)NNc3cccc(Cl)c3)cccc2o1	792044833	OYNMHWXBPSPPQE-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2cccc(Cl)c2)c1C	792482766	SRNZBGBEJGGTDT-JTQLQIEISA-N	321.812	3.965	50	20	DHGD	
CCc1ccnc(CNC(=O)CCCC[C@H]2CCSS2)c1	798066298	KGSPVASKXSPGOR-HNNXBMFYSA-N	324.515	3.974	50	20	DHGD	
CSCCCN(C)C(=O)CCCC[C@H]1CCSS1	799066507	FQFCIVYBCKGXOF-LBPRGKRZSA-N	307.550	3.912	50	20	DHGD	
C[C@@H](CO)N(CCO[Si](C)(C)C(C)(C)C)C1CCCC1	808749207	OCZDIJYMLVQTTQ-AWEZNQCLSA-N	301.547	3.634	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1c(F)cccc1Cl	809158415	AHQSJDMZIXMSQI-PLNGDYQASA-N	313.159	3.811	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812245075	MYTWWYZDWKVGRB-GHXNOFRVSA-N	301.252	3.992	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1cccc(Cl)c1F	814500578	KUPNBJOBXHSGIX-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NN=Cc1csc(C2CC2)n1)Nc1ccc(Cl)cc1	815004319	DTAXGXLJZACQSR-UHFFFAOYSA-N	320.805	3.830	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cc(C3CC3)ccn2)cc1F	823471751	RPRVTRMOTPXSPQ-UHFFFAOYSA-N	300.337	3.555	50	20	DHGD	
CC[C@@H](C)CC=NNC(=O)Cc1nc(-c2ccccc2)cs1	834936599	AGAIUGUPCORNEH-CYBMUJFWSA-N	315.442	3.891	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C(C)C)cc2)C1	837059733	YFAJYUQJGFMVKG-PBHICJAKSA-N	304.434	3.848	50	20	DHGD	
Cc1nc([C@H](C)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n[nH]1	844338044	WQVRHTSEPMDNOF-JSGCOSHPSA-N	324.545	3.660	50	20	DHGD	
CC[C@](C)(OC)C(=O)NNc1ccccc1Oc1ccccc1	846462033	RITKRABZOVLGFM-SFHVURJKSA-N	314.385	3.737	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1	853897921	VXUCOBOEZLIZPJ-ZDUSSCGKSA-N	323.469	3.590	50	20	DHGD	
CCCN(N=Cc1ccc2nccnc2c1)C(=O)OC(C)(C)C	872372802	NPBIPEQLJWHMEP-UHFFFAOYSA-N	314.389	3.611	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2cc(Cl)ccc2C)CCO1	885126753	FJTIBJYOAZZWPX-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(F)cc2Cl)CCO1	885137341	UQVWBMROMVSFEL-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2ccccn2)C1	891544876	RXXIOCOLHUDRFR-AWEZNQCLSA-N	320.509	3.708	50	20	DHGD	
COc1ccc2cc(C=NNC(=O)OC(C)(C)C)ccc2c1	916266758	DKLAHNRHJCQJKS-UHFFFAOYSA-N	300.358	3.707	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=Cc2cccc3ccccc23)c1	916280461	FBVSRRMGUITPNM-UHFFFAOYSA-N	317.392	3.670	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)ccc1Cl	928339776	KMNSDCMGQUYMNB-BBRMVZONSA-N	324.852	3.933	50	20	DHGD	
C=C[C@@](C)(CCOC)C(=O)NNc1cccc(Cl)c1Cl	1117862771	VWFWIRNHQPTTBO-AWEZNQCLSA-N	317.216	3.665	50	20	DHGD	
CC(C)(C)CCCCNC(=O)NNc1ccc(C(C)(C)C)nn1	1321937590	OSHJSXIPLHHLIB-UHFFFAOYSA-N	321.469	3.617	50	20	DHGD	
CN(CCCCN1CCCCC1)C(=O)c1cccc(CCl)c1	1339142388	RMUHPLLVINIJJW-UHFFFAOYSA-N	322.880	3.764	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCCO[C@@H](c2ccccc2)C1	1345894454	KNMUUGMZYYHFHP-OFLPRAFFSA-N	321.848	3.774	50	20	DHGD	
O=C(Nc1ccc(Br)nc1)C1CCC(Cl)CC1	1346687899	KPTSRQBNQPTQPS-UHFFFAOYSA-N	317.614	3.580	50	20	DHGD	
CC(C)CC[C@@H]1CCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	1776095809	VOEBMYAQLZDCIF-CYBMUJFWSA-N	316.401	3.707	50	20	DHGD	
CCC(CC)=NNC(=O)CSc1nc2ccccc2s1	6685037	QPDVMNGDDPZMOD-UHFFFAOYSA-N	307.444	3.681	50	20	DHGD	
Cc1cccc(N(C)S(=O)(=O)c2ccc(CCCl)cc2)c1	49991635	YRZNITZGCMWURA-UHFFFAOYSA-N	323.845	3.601	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccccc1Br	119089186	YVFJVLPVEJHYRX-UHFFFAOYSA-N	306.163	3.598	50	20	DHGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)C1CCCCC1	128900618	CYOOYHKBMKAALF-FOWTUZBSSA-N	311.381	3.904	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccc(F)cc1	133324600	PNMDVYUYPLXXFX-UHFFFAOYSA-N	301.365	3.795	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c(F)cc(F)cc1F	133694791	CCKOKYXEQLDRAO-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@H](Nc2ccccc2)C1	134022194	WPMJTEHMQHNUIB-HIFRSBDPSA-N	311.267	3.594	50	20	DHGD	
COc1ccc2oc(C)c(C(=O)NNc3ccccc3F)c2c1	152949336	UUAOSGQTLVOKFA-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1)c1c(F)cccc1F	163774135	LFFVUMWQEHULJU-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2ccc(F)cc2F)c(C)c1	180442347	UOSTYDGGRUHTLF-UHFFFAOYSA-N	304.340	3.576	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)nc2)c1C	186390121	RIADJBMUOBZMIY-DHDCSXOGSA-N	311.360	3.839	50	20	DHGD	
CCOC(=O)CC[C@@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	255119981	MOFVTEOOFOMDBS-JIHKLPAASA-N	312.413	3.606	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ccc(C#N)cc1	255377751	UMRPCOLDAOMXET-XFXZXTDPSA-N	311.772	3.758	50	20	DHGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)ccc1N(C)C	588429456	NGYNOADFDPNADB-RVDMUPIBSA-N	323.371	3.746	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCc2ccccc21	729280761	OVOFEUBKSLGDEL-AWEZNQCLSA-N	302.324	3.528	50	20	DHGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)N(C)C1CCCCC1	732715821	AIZYERFVFPRZAY-PTNGSMBKSA-N	300.377	3.832	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2occc2C)c1	743423099	KOVIHIKNXWZCLI-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
CC(C)CCC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	743807944	VLYLUYQDEMRVLF-UHFFFAOYSA-N	318.204	3.582	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1ccc(-c2ccncc2)cc1	745203092	TWDSPRBEAZNVQQ-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
CCC1CCC(CNC(=O)NNc2ccc(Cl)nc2)CC1	745782766	WVTJDHMJNDOSOZ-UHFFFAOYSA-N	310.829	3.578	50	20	DHGD	
CC(C)CC(CC(C)C)NC(=O)NNc1ccc(Cl)nc1	745803402	TVGAAFAGNQQBAG-UHFFFAOYSA-N	312.845	3.822	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1cc2ccccc2o1	749823697	OJUPZEHRODVCMT-UHFFFAOYSA-N	322.364	3.877	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ccccc1Cl	750666880	UJFDWRNANWLLMV-NTEUORMPSA-N	313.740	3.696	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1ccc(OCCC)c(OC)c1	750931957	WZYNVEYSHXMSLZ-UHFFFAOYSA-N	318.417	3.946	50	20	DHGD	
O=C(NCC1(C2CC2)CCC1)NNc1ccc(Cl)c(F)c1	752686768	MUTXSXAVKOPUAA-UHFFFAOYSA-N	311.788	3.686	50	20	DHGD	
CCCC(CCC)C(=O)NNC(=O)c1ccc2ccccc2c1	753464489	OLHGQQNYTFWVLU-UHFFFAOYSA-N	312.413	3.817	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)NCc1ccco1	753683523	STKKALNYJZDOCH-IZZDOVSWSA-N	321.163	3.810	50	20	DHGD	
CCCCc1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1	755361066	GIJAYZORUSZBPU-UHFFFAOYSA-N	305.422	3.618	50	20	DHGD	
CCN(CCI)Cc1cccc(Cl)c1	759337806	JRNCASMWVZAWCG-UHFFFAOYSA-N	323.605	3.597	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)c1cccc2ccsc12	768711615	AHBKVFFOFIKJMA-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1[nH]c2ccccc2c1CC(=O)OC[C@H](C)CBr	770338100	BEVKHYJFQILQAQ-SNVBAGLBSA-N	324.218	3.593	50	20	DHGD	
Cc1ccc2c(CC(=O)OC[C@@H](C)CBr)c[nH]c2c1	770360532	ORZFVSAHPVBENC-NSHDSACASA-N	324.218	3.593	50	20	DHGD	
N#CSCCCNC(=O)C1c2ccccc2Oc2ccccc21	773584852	IXROZNWFEDCFRJ-UHFFFAOYSA-N	324.405	3.645	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)CCCc2ccccc2)cc1	776232638	SHHWLVOCIXAIBD-HNNXBMFYSA-N	312.413	3.797	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(C)c1F	777481661	ODUIOPGSZUXGAK-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1cc(C(=O)NNc2nc3ccccc3cc2C)c(C)s1	777482776	QTUZBXMPKNZUNN-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H](OCC2CC2)C1	778172940	FLXFJNVBHGKSRW-NBPJVQFTSA-N	300.377	3.581	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)[C@@H]1C	781116757	IJCZDUAOZYNNFM-CHWSQXEVSA-N	310.401	3.619	50	20	DHGD	
CCSCCC=NNC(=O)Nc1ccc(OC(F)F)cc1	781127024	JYRYQRVOOVOUTG-UHFFFAOYSA-N	317.361	3.539	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCCSc1ccccc1	785347572	YUMQFFYYACECOH-SSZFMOIBSA-N	309.390	3.929	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@H](C)c2c[nH]c3ccccc23)c1	787900321	QKUKYUXRBOYFRF-ZDUSSCGKSA-N	308.385	3.508	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1c1ccc(C)cc1	790875347	JHMUMQMNXNUMOA-AWEZNQCLSA-N	310.488	3.853	50	20	DHGD	
CSSCCNC(=O)Cc1coc2cc3c(cc12)CCC3	791100463	RAKWHNSUYCSOJJ-UHFFFAOYSA-N	321.467	3.591	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCSCc1ccccc1	792335896	SKQPZEOTLLAXMH-UHFFFAOYSA-N	318.417	3.901	50	20	DHGD	
COC(=O)c1coc(C(=O)/C=C\c2cccc(CCl)c2)c1	799893880	XGCWWHPYVFLXES-WAYWQWQTSA-N	304.729	3.701	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCc1ccc(Cl)s1	808246404	BMVQCPBQLIRWNO-UHFFFAOYSA-N	300.638	3.596	50	20	DHGD	
CCC(=O)NN=C(C)c1sc(-c2ccccc2F)nc1C	814708236	HIBUKWPQPBHBFI-UHFFFAOYSA-N	305.378	3.508	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C[C@H]1c1cccc2ccccc12	816605098	LAKJKAWEXSFRMX-UONOGXRCSA-N	308.208	3.863	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1	827175590	AZAMESNISGGMAI-MSOLQXFVSA-N	305.381	3.585	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2c(C)cccc2Cl)cc1C	836933732	OBJZYSVMUHXCPE-NSHDSACASA-N	320.824	3.881	50	20	DHGD	
Cc1ccnc(NNC(=O)c2csc(C3CCCCC3)n2)c1	839701778	ZYPPFAZBXGUUSV-UHFFFAOYSA-N	316.430	3.651	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1cccc(CN2CCCCC2)c1	840527866	JPTPDGZPEORDKR-UNOMPAQXSA-N	324.424	3.576	50	20	DHGD	
Cc1cnc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nc1	844337060	PGTNLDKFNUNXOK-OAHLLOKOSA-N	321.541	3.771	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2c(c1)C[C@H](C)O2	854336064	KXNGSACDMVTQAQ-ZDUSSCGKSA-N	310.397	3.638	50	20	DHGD	
CN(CC1=CCCOC1)C(=O)CCCC[C@H]1CCSS1	855740231	WDJYFKYWSKCDBL-AWEZNQCLSA-N	315.504	3.506	50	20	DHGD	
CCc1ccc(NC(=O)NC[C@]2(C)C[C@H]2Br)cc1	856809755	FONUAZQZDRGAOQ-OCCSQVGLSA-N	311.223	3.544	50	20	DHGD	
CC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCCCCC1	857396011	WYUNXJYSAASZJC-BXUZGUMPSA-N	302.256	3.637	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2cccc3ccccc23)c1	857494716	WLWONCGIVDJIQD-UHFFFAOYSA-N	320.392	3.979	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccc2ccccc2n1	916244292	QSJPFQBBNJDRLX-WCVJEAGWSA-N	319.408	3.777	50	20	DHGD	
CCOC(=O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916267905	UIOXVODNRLJZPZ-UHFFFAOYSA-N	315.354	3.636	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2c(Cl)cccc2Cl)c(O)c1	917556458	XKRBESIFCISFLY-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cnn(C3CCC3)c2)cc1	934307780	DCGIYPTYPYFMCA-UHFFFAOYSA-N	313.405	3.880	50	20	DHGD	
CS[C@@H]1CC[C@H](N(C)C(=O)[C@H](Br)C(C)(C)C)C1	1325600922	OBAUAFHKLZKURN-AXFHLTTASA-N	322.312	3.539	50	20	DHGD	
O=C(O)CCC1(NC(=O)c2cccc(CCl)c2)CCCCC1	1601974280	HLUUUPZJFONQLQ-UHFFFAOYSA-N	323.820	3.723	50	20	DHGD	
O=C(NN=C1CCCCCCC1)Nc1ccc(C(=O)O)cc1	1776044678	NLLDEDWQWQDMMI-UHFFFAOYSA-N	303.362	3.607	50	20	DHGD	
CCc1nnc(NC(=O)CCCC[C@@H]2CCSS2)s1	21289654	WRRFUSQBDDYDMT-SECBINFHSA-N	317.505	3.753	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccccc1Cl	32178523	URFYEQLSHIXVNR-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Br)cc2C)c1	76480996	QFUJETYTTXFOPE-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2cccnc2Cl)c(C)s1	85686345	GFSYGFNBVITXCJ-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc(OC)c1	105570807	MVZNYJLBEOTGPU-MLPAPPSSSA-N	313.378	3.864	50	20	DHGD	
Cc1ccsc1C(=O)NNc1ncc(Cl)cc1Cl	132819214	QMXZUKAFVJVOSE-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(OCC2CC2)cc1	179856237	HDQDHEKQSCXKBJ-UHFFFAOYSA-N	315.348	3.763	50	20	DHGD	
Cc1csc([C@H](C)CNC(=O)NNc2ccccc2Cl)n1	186822556	FFBWIAGEKOSKHF-SECBINFHSA-N	324.837	3.535	50	20	DHGD	
COCc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1	191361561	BCVVRVXVUKPLDY-MHWRWJLKSA-N	301.349	3.840	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	191754722	ZNWBHERSRMKTEO-XNTDXEJSSA-N	319.357	3.775	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1cc(Cl)cc(Cl)c1	276882403	PJJVELFEACWZOL-UHFFFAOYSA-N	301.095	3.779	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2c(C)cccc2CC)CCO1	281694184	GIHRSFRXUSJROM-JKSUJKDBSA-N	304.434	3.596	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2cc(Cl)ccc2Cl)CC12CCCC2	294865857	GQBRNYFMMPGDIS-OAHLLOKOSA-N	324.211	3.911	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC2(CCC2)CC1	367799878	CGDXXXCOSYWTJE-LLVKDONJSA-N	302.256	3.589	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(Cl)c(Cl)c1O	727651001	XYGHQWJYPXOLCT-UHFFFAOYSA-N	319.188	3.948	50	20	DHGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	727945352	OQZHCDQAWDKTQO-DOMZBBRYSA-N	320.393	3.580	50	20	DHGD	
O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)C1CCC1	731936156	JRAQGEYNKDGTPN-UHFFFAOYSA-N	305.592	3.897	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)CC(C)(C)C)cc1	738528737	KJOQKBMPJGOYNZ-AWEZNQCLSA-N	318.461	3.887	50	20	DHGD	
CC[C@H](CC(=O)NNc1ncccc1C(F)(F)F)C(C)C	740100457	NSZLVFIRBXXURK-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)s1	748008455	MGYQEFUSUYCSJZ-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2cccc(F)c2)cc1	748088608	MMLGFPJVACPYOY-UHFFFAOYSA-N	300.377	3.710	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)C1CCCCC1	752462019	FNJOLMUDZHBRMT-YYTPVVGHSA-N	300.377	3.818	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=C[C@H]1C[C@H]2C=C[C@H]1C2	755632774	SNIOKHSMYZQHED-QILLFSRXSA-N	304.393	3.697	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccoc1	755888326	OWDJQZIDTOTGTP-CQSZACIVSA-N	322.364	3.741	50	20	DHGD	
O=C(NNc1ccccc1)c1c(-n2cccc2)sc2c1CCC2	759654723	FQLIHDHSFUTZLS-UHFFFAOYSA-N	323.421	3.784	50	20	DHGD	
O=C(NN=Cc1cncs1)Nc1ccc(-c2ccccc2)cc1	767786138	WBIHFHZAZLRCRB-UHFFFAOYSA-N	322.393	3.966	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)o1	772539357	BBVBOPGLXYEIMH-UHFFFAOYSA-N	300.358	3.537	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)C1CCCC1	774129194	DYHCBVYVRUTWJP-GHXNOFRVSA-N	304.733	3.914	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(OC(F)(F)F)cc1	780991949	JVKWBKZYXTYFEO-MDZDMXLPSA-N	302.296	3.775	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc(OC(C)C)c(Cl)c1	789018603	XMWSBMQCQQKNEK-UHFFFAOYSA-N	308.809	3.768	50	20	DHGD	
CCCN(N=Cc1cnc2ccc(C)cn12)C(=O)OC(C)(C)C	794997359	YHDIDMZVXWCIQL-UHFFFAOYSA-N	316.405	3.624	50	20	DHGD	
C=C(CBr)COC(=O)/C=C\c1ccc(Cl)s1	795374293	SBLRTWFNGBKMNL-HYXAFXHYSA-N	321.623	3.909	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1ccc(C#N)cc1	799390918	FMGBOFPQCCWQPG-CQSZACIVSA-N	322.412	3.816	50	20	DHGD	
COCC[C@@H]1CCCC1=NNC(=O)c1cccc2ccccc12	799882472	SOUXQCUEZMTROH-HNNXBMFYSA-N	310.397	3.762	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1ccccc1Cl	802827037	SFMIRDQJOUBQLP-UHFFFAOYSA-N	300.745	3.772	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)ccc1O	810216565	KTNJBAKMIDGECV-QPEQYQDCSA-N	313.740	3.844	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(F)(F)F)nc2)cc1	837055369	DSSVKZMWYAJDMH-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(NC3CC3)nc2)cc1	837055425	FIPPRQGRTRFLSC-UHFFFAOYSA-N	310.401	3.536	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C[C@@H]2CCCOC2)C1	844337650	TUSKZIXHOSUPNF-HOTGVXAUSA-N	313.558	3.899	50	20	DHGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NNc1ccccc1Cc1ccccc1	846460253	AFAOGOQSARYGBD-KHYOSLBOSA-N	324.424	3.534	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)N(C)CC(Cl)Cl	848083545	DUBYKBGDIRTDIC-UHFFFAOYSA-N	303.233	3.643	50	20	DHGD	
C[C@@]1(CNC(=O)c2cc3ccccc3s2)C[C@@H]1Br	857402359	JVPVNIRFQCLSNL-JSGCOSHPSA-N	324.243	3.805	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)c1ccnn1C1CCCC1	863081045	WFIQNJYUKCORSR-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
C[C@H](C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1)C(C)(F)F	912583022	VKURGPIQPDXCGS-NEPJUHHUSA-N	321.484	3.900	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccccc1Cl	915843572	HRIBGPFXOLCSHT-UMFRXALVSA-N	302.805	3.942	50	20	DHGD	
O=C(NN=Cc1ccccc1Cl)c1cc2c(s1)CCC2	916315676	ZQQRFODVIFMJRU-UHFFFAOYSA-N	304.802	3.654	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)c2ccc(C)s2)cc1	920380047	NDVZBWIJVWLHJI-UHFFFAOYSA-N	316.426	3.538	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1sccc1CN(C)C	928340670	ZGZNMKBODBDOHA-UHFFFAOYSA-N	323.849	3.528	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NN=c1cc[nH]c2ccccc12	1161683320	DLAAYUNIKKACEL-CQSZACIVSA-N	311.429	3.706	50	20	DHGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNc1ccc(F)cc1C)C2	1322870368	UGAAVPXDDFJKIF-MRXNPFEDSA-N	316.401	3.603	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OCC#N)c(C)n1C1CCCCC1	6389178	CPFWUNLTKWONBB-LFIBNONCSA-N	311.385	3.584	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(Cl)c([N+](=O)[O-])c1	8238014	ZTKNZLPQWTXXCM-IZZDOVSWSA-N	316.700	3.940	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1	73921091	ZRHKTPBESRXRCP-SSZFMOIBSA-N	312.413	3.783	50	20	DHGD	
Cc1cc2c(cc1NC(=O)NNc1cccc(Cl)c1)OCO2	121478654	CPAJSBHZRYIMFL-UHFFFAOYSA-N	319.748	3.526	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1	128489859	UQAIOQJXYJBCBF-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
N#C/C(=C\c1coc2ccccc12)C(=O)NCCc1ccccc1	160196327	GDCXSWSMGQUZJE-FOWTUZBSSA-N	316.360	3.699	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@]12CCc1ccccc12	175185540	GAADTUSOVRXLKB-AEFFLSMTSA-N	312.800	3.687	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCc1cccc(Oc2ccccc2)c1	178956470	BRIHXQCMUNINFH-JQIJEIRASA-N	322.364	3.539	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cccc(Cl)c2C)c1	194795325	YDVUHLQTJYBMON-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)[C@@H]1CCCOC1	281182778	QQZQZXRBPVFBRK-DWGGBAKOSA-N	310.180	3.896	50	20	DHGD	
CSSCCNC(=O)Nc1ccccc1OC(C)C	284666178	PWXYKFOMQBKHDF-UHFFFAOYSA-N	300.449	3.607	50	20	DHGD	
C/C(=C/c1c(Cl)cccc1Cl)C(=O)NNc1ccccn1	588478845	AOAAMPNGEULONV-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
Cc1ccc2c(CC(=O)Oc3ccc([N+](=O)[O-])c(C)c3)c[nH]c2c1	726136850	QRRVBTRYOXFOIO-UHFFFAOYSA-N	324.336	3.841	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)c(F)c2)c1	727654067	HDVAPHOZDWRNRK-XNTDXEJSSA-N	323.371	3.746	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)C(C)(C)c1ccccc1	731150141	ANRVEKVNNDYXHB-UHFFFAOYSA-N	310.397	3.513	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)C(C)(C)c1ccccc1	731153119	AXFYYTWFWWDQET-UHFFFAOYSA-N	324.424	3.795	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CCC[C@H]2c2ccccc2)cc1	732528676	ULKRYEPLHYEKRH-KRWDZBQOSA-N	303.365	3.612	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNc1nc(C)cc(C)n1	733253259	YKTMZVDGJOAWPW-INIZCTEOSA-N	318.465	3.923	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1NC(=O)NNc1cc(F)c(F)cc1F	734660790	AXEKPFSZGXZMIG-ZANVPECISA-N	315.339	3.699	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC2CC2)c1C	742778450	ZJJSRZYDQMKLGD-PDGQHHTCSA-N	313.445	3.728	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCC(=O)c2ccccc2)c(C)c1	743762327	QJSJPMHOGLCVFJ-UHFFFAOYSA-N	310.397	3.718	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(Cl)nc2)o1	743815390	CYXQWOUTTLYKEI-MFKMUULPSA-N	319.792	3.527	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2cn(C)c3ccccc23)c1	744781876	KRDUCJGLYCMQAS-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)c2ccc(C#N)cc2)cc1	747052401	ZVUAXWGCHPFOTI-UHFFFAOYSA-N	305.381	3.620	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)CCOc1ccccc1	748551753	NVXXSRSJHZBOOK-ZDUSSCGKSA-N	316.376	3.682	50	20	DHGD	
C[C@H]1CC(=NNC(=O)Cc2ccncc2)C[C@@H](c2ccccc2)C1	749861180	HWGDHKMUABNCSQ-QAPCUYQASA-N	321.424	3.700	50	20	DHGD	
Cc1ccc(C(=O)NN=C/C=C2\N(C)c3ccccc3C2(C)C)o1	752175074	UPKVADMKAABZAQ-JBXSJBOWSA-N	323.396	3.615	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C[C@H]1C[C@@H]1c1ccccc1	755564265	SBWVEGDLDPWREX-CRAIPNDOSA-N	317.392	3.616	50	20	DHGD	
C=CCCC(CC)=NNC(=O)CSc1ccccc1OC	761274394	UPTPFNZPQJSUMQ-UHFFFAOYSA-N	306.431	3.636	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3ccsc3)n[nH]2)c1	764788781	AMRFKILBKZTJRL-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc(Cl)ccc1Cl	768504248	IOHQESHCKHOWKX-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CCc2ccc(F)cc21	771319847	OYIKBHKMHJMBBV-HNNXBMFYSA-N	317.339	3.587	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1nc2ccccc2[nH]1	776233006	WLNGSJDEAGAPGC-CQSZACIVSA-N	322.412	3.665	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cncc2ccccc12	777465031	XWGHHPLIBNPOFQ-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(F)ccc2C)n1	777871766	MNANXLNXXAMWSI-WUXMJOGZSA-N	316.357	3.832	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(Cl)cc2)cc1C	778509695	VJGQGZUKUKFZQK-JTQLQIEISA-N	306.797	3.573	50	20	DHGD	
C[C@@H](CCC1CCCCC1)NS(=O)(=O)CCCCCl	780783734	XSFCRHLEFAQQPI-ZDUSSCGKSA-N	309.903	3.674	50	20	DHGD	
CC[C@H](CSC)NC(=O)NNc1ccc(C(C)(C)C)cc1	780843412	QNTLKUCIUKNOGB-CYBMUJFWSA-N	309.479	3.752	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1ccc(C#N)cc1Cl	788424784	JSWGQBIAGNYZJQ-UHFFFAOYSA-N	303.793	3.632	50	20	DHGD	
C=C(CBr)CN1CC[C@H](Cc2ccc(F)cc2)C1	791461003	PMXAQEQIXHOFEO-CQSZACIVSA-N	312.226	3.641	50	20	DHGD	
Cc1cc2cc(/C=C(\C#N)C(=O)C3CCOCC3)oc2cc1C	794958716	ODIRMXUBYPBLJQ-MHWRWJLKSA-N	309.365	3.952	50	20	DHGD	
N#CC(C#N)=CNc1nc2ccc(OC(F)(F)F)cc2s1	796860673	JCQITBSSDDMVFQ-UHFFFAOYSA-N	310.260	3.538	50	20	DHGD	
N#C/C(=C\c1ccc(C2CCCC2)cc1)C(=O)N=c1cc[nH]cc1	812243987	XOZGLJDHBKZMLQ-QGOAFFKASA-N	317.392	3.707	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)CSc1ccccc1O	814970840	GEXRVHFXNOPBIF-CHWSQXEVSA-N	320.458	3.803	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccoc2C)c1	841603684	IGVYTEDCUOUTEF-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
Cc1cc(C)n(CCN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	852521939	COJSQXYWHWDRPT-INIZCTEOSA-N	323.557	3.596	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCOC(C2CC2)(C2CC2)C1	852651358	LYYQFRYHAIGXRY-NVMNQCDNSA-N	312.388	3.581	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1ccc(Cl)cn1	856093848	QUSCFCOSQBTDDC-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2ccc([C@H]3C[C@@H]3C)o2)cc1F	856230907	HRDRDWSHVNTTLW-WFASDCNBSA-N	316.376	3.926	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1F	856231354	YEHZZBYPCGNFMO-WDEREUQCSA-N	318.314	3.946	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCOC3(CCC3)C2)cc1	897927961	LFPXCFJQIJUKKC-OAHLLOKOSA-N	302.418	3.602	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2cccc(Cl)c2)c(C)c1	913687163	XLNSPGYFJHYHJX-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1cc(C)ccc1OC(F)F	914836456	MTRSIWUPWIEAIM-UHFFFAOYSA-N	310.344	3.627	50	20	DHGD	
O=C(CNc1ccccc1)NN(c1ccccc1)c1ccccc1	916570506	PZAMETOGGCAMEO-UHFFFAOYSA-N	317.392	3.968	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(Cl)cc2C)CCO1	928337163	LYERMYYROAODDE-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc(C(C)C)cs2)oc1C(=O)O	1600185972	HJUWNBCFJNVPMJ-YHYXMXQVSA-N	302.355	3.930	50	20	DHGD	
CCCCCCCCC(=O)NNc1cccc(C(=O)O)c1C	1605267517	XTKZGRAOJKAKHZ-UHFFFAOYSA-N	306.406	3.887	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(F)cc2)c2ccccc12	60913858	AXBCBEMYXNEORY-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccc(F)cc1	66281988	IUKZQZHEAITOLR-UHFFFAOYSA-N	323.371	3.677	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNc1ccccc1	70716211	RIHONNLEIXYQCF-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2cccnc2Cl)c1	85683004	FTUUUBZOCKXTLV-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)NC1CCCCCCC1	114112987	XRFPHALBJPYGOS-UHFFFAOYSA-N	311.857	3.581	50	20	DHGD	
CC[C@H](CC(=O)NNc1ncccc1Cl)c1ccccc1	114883060	VUVQXNNCERNNNT-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc2nc(C3CC3)oc2c1	120828899	SQKRTTNPLCTFPM-UHFFFAOYSA-N	308.341	3.854	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc(Br)c2)c1	126653340	LTMLNKKJTOMAOU-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(CC1CCSCC1)NNc1ccccc1C(F)(F)F	128379316	RYHNJTWSDVLUPO-UHFFFAOYSA-N	318.364	3.682	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)sc1C	132321278	ZJTCMULZXLXNKF-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1occc1-c1ccccc1	134212484	KVQHWKVRJQRADZ-UHFFFAOYSA-N	323.308	3.612	50	20	DHGD	
CC(C)COC[C@H](NC[C@H](C)CBr)c1ccco1	152822865	YOANZCVVSJBBTB-OLZOCXBDSA-N	318.255	3.614	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ccncc2Cl)c1	154562689	IKWBFKBYAHLBIU-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNc1ccncc1Cl	154785573	UCJCCRNBKKRGGG-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNc2ccc(C#N)cc2)c1	155485602	JZHQHNLNJDZRJA-CQSZACIVSA-N	323.396	3.592	50	20	DHGD	
COc1cc(CN(C)/C(=C/C#N)c2ccc(F)cc2)ccc1O	156911171	GPIAPHANORRDKK-CXUHLZMHSA-N	312.344	3.536	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1F	171525352	OGIXETMRRQBOPU-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CO[C@@H](CNC(=O)CCCC[C@H]1CCSS1)C(C)(C)C	174789888	SPURMXSLFZVNJK-STQMWFEESA-N	319.536	3.878	50	20	DHGD	
CS[C@H](C(=O)NNc1cccc2cnccc12)c1ccccc1	178514386	WCVDFQAJPCTPSO-KRWDZBQOSA-N	323.421	3.782	50	20	DHGD	
Cc1cccc(C(=O)NNc2cccc3cnccc23)c1Cl	178868823	BZPIDIFUNHMMFY-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ccc(C)o3)s2)c1	180343083	SBHASUAJWKZGER-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
C[C@H](O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184420946	TTWRAOAMYKDIHN-ZETCQYMHSA-N	320.283	3.846	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)s1	193115269	VKOQYISAHBEKAK-MDWZMJQESA-N	323.826	3.978	50	20	DHGD	
Cc1cc(OC(=O)/C=C\c2cccc(F)c2)ccc1[N+](=O)[O-]	215046484	XCORFLSYUBWUQO-YVMONPNESA-N	301.273	3.661	50	20	DHGD	
CSSCCNC(=O)C[C@@H](C)c1c[nH]c2ccccc12	284132073	PFGAZSWQCBUXCO-LLVKDONJSA-N	308.472	3.789	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)C[C@H]2CCCCC2(C)C)c1	293862743	HCMRXHRLSXWQSF-CQSZACIVSA-N	317.433	3.695	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1cc(F)c(F)c(F)c1	730430927	LFSZOXWPMXLICT-UHFFFAOYSA-N	306.287	3.566	50	20	DHGD	
CCCCCCCC(=O)NNc1ccc(Br)nc1	732838663	WLZVNFZAGIBFGS-UHFFFAOYSA-N	314.227	3.648	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1nccc2ccccc12)c1ccccc1	740765867	YLYGFHBOJFMYHR-SSZFMOIBSA-N	313.360	3.805	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1ccccc1Cl	748317429	IHHQUYCLNCLHKR-CQSZACIVSA-N	303.793	3.674	50	20	DHGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)c2ccncn2)ccc1OC	758910187	FAKIYIQBAHFNNW-GRRFOWRYSA-N	309.369	3.727	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2OCC(C)C)c1	760147586	LMWGFXBYVDPTTA-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1nc(C(C)C)n2ccccc12	762604301	NYUDENQZUZKZJD-NTCAYCPXSA-N	324.428	3.671	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cc2cccnc12)c1ccccc1	763106997	UABZEKATGLGTDE-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(Cl)nc1)c1ccc(F)cc1	764458529	NECQTZKHDHZPIJ-ZDUSSCGKSA-N	307.756	3.511	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)CCCC(C)C)c1	764665447	DBMXJGIUFBTJOD-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
CC[C@H](C)[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768511701	BKEDLJTWBIEVAL-GUYCJALGSA-N	322.412	3.836	50	20	DHGD	
C[C@H](CBr)COC(=O)CCc1ccc2[nH]ccc2c1	770420179	MOSYMAMNRRQNFC-LLVKDONJSA-N	324.218	3.675	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2cccc(F)c2o1	771699217	XWZYVSOASAVOHQ-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2F)sc1C	777918180	KWXCWYVMYQZYKY-WZUFQYTHSA-N	303.318	3.871	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Br)n1	777919051	QHLYMOGFWVWMOS-MXBGMFSPSA-N	307.191	3.756	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@@H](C)C[C@H]2C)cc1OC	783810975	RBILWJSZNNMMTD-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2cscc2C)c(C)c1	787338132	WIAUJPIOZOBSDE-UHFFFAOYSA-N	303.431	3.808	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCC23CCCC3)cc1	788704294	NUFXBRITJKXSMU-UHFFFAOYSA-N	302.443	3.914	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(C)cc2F)ccc1Cl	790179673	AGKAIEBJGCOBOU-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)[C@H]1CCCOC1	794877867	MZFAVSQPAJARCF-CNYBTUBUSA-N	307.349	3.849	50	20	DHGD	
C=C(CBr)COC(=O)Cc1c[nH]c2cc(C)ccc12	795479514	ANDGNWIZVGJYFB-UHFFFAOYSA-N	322.202	3.513	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802018464	JGCOHWNXROAANJ-HNNXBMFYSA-N	311.813	3.709	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Cc1cncc2ccccc12	805211066	XMTSJSOGDMJDPP-LBPRGKRZSA-N	320.483	3.541	50	20	DHGD	
N#CCCCCCC(=O)NNc1c(Cl)cccc1Cl	807077606	BNPLUQHCFIVVRF-UHFFFAOYSA-N	300.189	3.911	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)C1(C(F)F)CCCC1	808743748	NUZGZSJHNMXUAI-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)CC(C)(C)C	814221030	OVTQDNQIKNUURO-YDLMMLMLSA-N	302.418	3.775	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)cc(OC)c1	816570403	SSVIQJQPAIYZGI-UHFFFAOYSA-N	318.804	3.976	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(Br)c(C)c1	819414484	IRUVYFNTNJCDKO-UHFFFAOYSA-N	311.223	3.803	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@@H](C)C1	832969036	UVKSSORTIVHNJU-UWVGGRQHSA-N	315.339	3.616	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842248666	IJKVNUNWHSUCBU-UHFFFAOYSA-N	321.308	3.516	50	20	DHGD	
C[C@]1(CNCc2coc(-c3ccccc3)n2)C[C@@H]1Br	856806907	IWKQGPXJDZUVNS-DZGCQCFKSA-N	321.218	3.605	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1CCC[C@@H](C(F)(F)F)C1	885110478	FDKACDBMBJYUTD-DTWKUNHWSA-N	322.277	3.777	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Oc2ccccc2Cl)c1	913727202	RSTIYSOWWUHPMA-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
O=C(NN=Cc1cc(F)ccc1F)C12CC3CC(CC(C3)C1)C2	915942290	LKOBQVFBVUVVCM-UHFFFAOYSA-N	318.367	3.631	50	20	DHGD	
COc1ccc(Cl)cc1C=NNC(=O)c1ccc(Cl)cc1	917530870	GYXUKTXNCBNAFY-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccc(N)cc1)c1cccs1	917532268	GUUBWBGDWPJLSA-UHFFFAOYSA-N	301.415	3.511	50	20	DHGD	
Cc1cccc2oc(C(=O)NNc3nccnc3C3CCC3)cc12	935978752	ZDEFHRYWVSHSQU-UHFFFAOYSA-N	322.368	3.556	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc3c2ccn3C)cc1Cl	1318181060	KSZBFTWOQWKFBI-UHFFFAOYSA-N	313.788	3.897	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC)cc1)c1cccc(Cl)c1	1318442839	WSABDFHUBSFLRR-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCCCC1	1324695022	YRDWGTGNNKSCND-UHFFFAOYSA-N	316.449	3.744	50	20	DHGD	
O=C(N[C@@H](C1CCC1)[C@@H]1CCCO1)c1cccc(CCl)c1	1339118532	WMTSSEYKHOCNEX-HOTGVXAUSA-N	307.821	3.503	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCOc2ccccc2C)cc1	7765717	KJFMFSDVZLXOQT-QGOAFFKASA-N	321.376	3.833	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1csc(-c2ccccn2)n1	44025844	RXBHEUPCSRTQOW-XYOKQWHBSA-N	321.361	3.896	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cc1	78785173	ITRXKPAXJBEANT-SSZFMOIBSA-N	306.365	3.655	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1ccc(C(C)(C)C)nn1	118525903	QUXYBSPCPJOJSI-UHFFFAOYSA-N	318.446	3.716	50	20	DHGD	
O=C(CCOCc1ccccc1)NNc1cccc2c1CCCC2	120080061	WGYHUVKVIZGEKT-UHFFFAOYSA-N	324.424	3.615	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1ccc(F)cc1F	161112497	KNJLIBHYAYUEBD-UHFFFAOYSA-N	302.390	3.720	50	20	DHGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1cccc2cnccc12	178529291	YZDSLGYMCDOUNR-CQSZACIVSA-N	315.417	3.519	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2ccccc2Cl)ccc1C	194388309	YHEKPHSYVIWPFC-UHFFFAOYSA-N	302.761	3.608	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCCCC)c1	206065687	AEQBRVRUTSKBLB-RVDMUPIBSA-N	315.369	3.510	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1O	215798568	MXXWGNQCYMVHHC-DHDCSXOGSA-N	322.364	3.563	50	20	DHGD	
N#Cc1ccccc1/C=C\C(=O)NNc1cccc2c1CCCC2	255614394	LJNPWZMJAJXGJY-SEYXRHQNSA-N	317.392	3.594	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	267529558	PTQZQSASMRYBCL-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc1	278780058	VXCXWQDLBDAVIN-VXGBXAGGSA-N	322.817	3.657	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C\c1ccccc1	588391901	OZHAQMLPXAGCDF-QXMHVHEDSA-N	303.365	3.700	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)NC1CCCCC1	735028730	NVWKGNJPJAVNHK-CQSZACIVSA-N	311.470	3.646	50	20	DHGD	
C[C@@H](CNC(=O)NNc1ccccc1Cl)Cc1cccs1	745860639	YWRLQLWXIAOCPR-LLVKDONJSA-N	323.849	3.906	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc2c(c1)COC2	748008664	PVKSMUVFCNWYTC-UHFFFAOYSA-N	323.179	3.781	50	20	DHGD	
CC[C@H](C)c1ccccc1OCC(=O)NNc1cccc(F)c1	748088247	DPIFYWJFZMAHOE-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
C/C=C/C=C/C(=O)NNc1ccc(Br)cc1CC	753177353	XOXPNMYHPWMILX-TWTPFVCWSA-N	309.207	3.587	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@H](CCc2ccccc2)C1	755267975	APRJZPGXCJXEID-TUNPGAEXSA-N	318.420	3.885	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cnc(C(C)C)s1	758372301	LLOVIMXYNBAMCW-UHFFFAOYSA-N	302.403	3.731	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1O	762692477	HPPAKNVQZUOOCZ-RIYZIHGNSA-N	310.328	3.694	50	20	DHGD	
O=C(CCc1ccccc1)NN=CCc1ccc(F)cc1Cl	766448455	VLEKFMKMFNHQRC-UHFFFAOYSA-N	318.779	3.756	50	20	DHGD	
CCCOc1ccc2[nH]cc(C=NNC(=O)c3ccccc3)c2c1	768357531	MXPXBOIVGJWVRF-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)[C@H]2CCCC[C@@H]12	768426480	BNCJPHAFMRLWGI-VOAKCMCISA-N	316.283	3.833	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	771706453	BHVVUDVHXGDPCI-GXTWGEPZSA-N	316.376	3.926	50	20	DHGD	
CCCc1cccc(/C=C(/C#N)C(=O)NCc2ccccc2)c1	773910501	XDOGLMNWRZYQPF-UYRXBGFRSA-N	304.393	3.862	50	20	DHGD	
CCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccccc1F	778533148	HHDUNWDYADNEGF-UHFFFAOYSA-N	309.344	3.851	50	20	DHGD	
CCCCc1ccc(NC(=O)NNc2ncncc2Cl)cc1	782006755	NGIKKLYAKROHEM-UHFFFAOYSA-N	319.796	3.621	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(Cl)cc2c1OCC2	782887645	ORZGFJJEKVGPKW-NTUHNPAUSA-N	305.761	3.525	50	20	DHGD	
CCC(O)(CC)CCNC(=O)NNc1ccc(C(C)(C)C)cc1	788324562	UWLXSRMQQNRHFM-UHFFFAOYSA-N	321.465	3.551	50	20	DHGD	
O=C(NN=C1CCCc2ccc(O)cc21)c1cccc(Cl)c1	794474941	WQGRMJUSSLMIJL-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
CC(=NNC(=O)NCC(F)(F)F)[C@@H](C)c1ccc(Cl)cc1	794494757	OJWVGKADRHFVQT-MRVPVSSYSA-N	321.730	3.681	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1nc(Cl)sc1C	799853556	WUZQYSZDVUEVFB-UHFFFAOYSA-N	309.822	3.733	50	20	DHGD	
N#Cc1ccc(Cl)c(C(=O)NNc2ccccc2Cl)c1	802826467	FBOJGIBYCFCCIG-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
CCC[C@@]1(NC(=O)CCCC[C@@H]2CCSS2)CCOC1	804537567	YBUYHCNLPHFXLL-UKRRQHHQSA-N	317.520	3.776	50	20	DHGD	
CSSCCNc1nc(-c2cccnc2)nc(C)c1C	804700110	OZQJPVAPXHHFCX-UHFFFAOYSA-N	306.460	3.579	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccccc1Nc1ccccc1	804766621	SBHLVIRPBXDDDR-UHFFFAOYSA-N	322.343	3.721	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCC[C@H]2CCCC[C@H]21	807174009	TVLVKYBYXYPHBN-MGPQQGTHSA-N	312.417	3.613	50	20	DHGD	
CN(CCNCc1ccc(OCCCCl)cc1)C1CCCC1	811478905	RJKYHVWTXPLRFR-UHFFFAOYSA-N	324.896	3.658	50	20	DHGD	
C[C@H]1C[C@H](NCc2ccc(OCCCCl)cc2)C[C@@H](C)O1	811486322	LQIIKJOGSNIXQQ-MIFYACCESA-N	311.853	3.740	50	20	DHGD	
CC(Cc1ccc(O)cc1)=NNC(=O)c1cccc2ccccc12	814854586	NTHIKJODXYBLRQ-UHFFFAOYSA-N	318.376	3.894	50	20	DHGD	
Cc1sccc1C=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	814916217	CTLVLQRFUQUAAJ-JTQLQIEISA-N	322.817	3.628	50	20	DHGD	
O=C(Cc1csc2ccccc12)NNc1cccc(Cl)n1	817011813	KTSHYSMYSHDJPQ-UHFFFAOYSA-N	317.801	3.636	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(C)c(-n3cccc3)c2)c1	821698929	NOKUNOUJKZCZKF-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
CO[C@@H](C1CC1)[C@@H](C)NCc1ccc(OCCCCl)cc1	825098620	LTDOLWLLJKNJAV-CXAGYDPISA-N	311.853	3.597	50	20	DHGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNc1ccccc1	825131044	OTISZLOSXCURTN-HYVNUMGLSA-N	304.434	3.607	50	20	DHGD	
CC(C)Cn1cc(NC(=O)NNc2ccc(C(C)C)cc2)cn1	836437583	UKJRTEWJCPQNKH-UHFFFAOYSA-N	315.421	3.811	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2c[nH]c(C(F)(F)F)c2)cc1	837052493	ALRIHTLFXAIOBP-UHFFFAOYSA-N	311.307	3.914	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H](O)C(C)C	839861853	LKNUKRBOGSKUJI-VNHYZAJKSA-N	319.536	3.612	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1cccc(F)c1F	851904801	CAOPGLFXEGAJGU-LJUAHTATSA-N	304.178	3.789	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2ccc(C)c(F)c2)c1	856230665	XVUMTOMGENOODB-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
C[C@]1(CNC2CCC(C(F)(F)F)CC2)C[C@H]1Br	857066078	WWZIRLDCPQRWGC-JPPWEJMLSA-N	314.189	3.871	50	20	DHGD	
COc1cccc(C(C)(C)C(=O)NNc2c(C)cccc2F)c1	867481540	BTRQRLFIGUHWQV-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(C=O)s1	868491422	FOXCCJJCMPCLPX-UHFFFAOYSA-N	302.399	3.749	50	20	DHGD	
COCc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cc1F	868782257	QPOQJXDDDSLORD-UHFFFAOYSA-N	316.376	3.852	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cn(CC)nc2C)c1C	899341653	GHQSUAWZTZIQAM-YBEGLDIGSA-N	324.428	3.830	50	20	DHGD	
COc1ccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)c(F)c1	899892709	IMBVFTGFZAVTQP-UHFFFAOYSA-N	319.288	3.579	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1cccc(OCc2ccccc2)c1	915948472	TZJNVYJFNFPQEQ-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1c(C)[nH]c2ccccc12	916661857	AZZMKEGSHOVTKE-UHFFFAOYSA-N	306.369	3.940	50	20	DHGD	
C=CCCOCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	920496061	GUDKDSWYXGEDOS-UHFFFAOYSA-N	323.607	3.683	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)c2c(C)noc2C)cc1Cl	1115933120	QZQRAVYQBHBSKB-VIFPVBQESA-N	307.781	3.500	50	20	DHGD	
O=C(CC(F)(F)F)NN=Cc1ccc(-c2ccccc2)s1	1248746343	GOGHGAUZHNAWJW-UHFFFAOYSA-N	312.316	3.818	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)NCc1ccco1	16185098	UFPHGHYHEFZMFM-WQLSENKSSA-N	320.270	3.522	50	20	DHGD	
N#C/C(=C\c1cc(-c2ccccc2)cs1)C(=O)N1CCCC1	54801995	XNMTZCRZLHBQMX-XNTDXEJSSA-N	308.406	3.944	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc2cccc(C)c2nc1Cl	73116661	DWJAURPUXFWALL-NTEUORMPSA-N	313.788	3.630	50	20	DHGD	
O=C(CCc1cccc(Br)c1)NNc1ccccc1	78225348	BOPPSGARKPOKCB-UHFFFAOYSA-N	319.202	3.525	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc(C)c1O	112224589	YFWBJXWHKFNLDU-WJDWOHSUSA-N	312.413	3.707	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@H](C(F)(F)F)C1	114883483	BGXFSCHDAHFXSR-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
O=C(CC1CCCC1)NNc1ccc(OC(F)(F)F)cc1	134251505	PHNARSCRRALGSD-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2ccc(F)cc2)CCC1	153236551	JPXDNWBLIRPRKB-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc2cc(F)ccc2s1	178929108	CWZORUHLZAYODC-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCc2cc(F)ccc21	182358620	WPZGIEGSGPYFMR-MOVXZBDNSA-N	324.330	3.675	50	20	DHGD	
Cc1coc2ccc(NC(=O)/C(C#N)=C/c3ccc(O)cc3)cc12	490970216	GJBFHLIYDXRZPO-RIYZIHGNSA-N	318.332	3.993	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)CNc1ccc(OC)cc1	727254659	UJHXZFZSRJWJLH-AWEZNQCLSA-N	317.433	3.570	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccnc2ccccc12	731313827	MURUOSJBCQVMMQ-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C1CCC(C)(C)CC1	735970991	TZFQQMLULKJTEF-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
CN(NC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1)c1ccccc1	738498270	ZDYLWYNJYXLIOH-PKOBYXMFSA-N	323.440	3.748	50	20	DHGD	
C[C@H](C(=O)NN(C)c1ccccc1)c1ccccc1C(F)(F)F	743291768	QPGCOOVYYXEXSA-LBPRGKRZSA-N	322.330	3.977	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2cccc(Cl)c2C)c1	748426545	AWRZGIRNQKBOJU-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1CC=CCC1	748740845	OMSNJRZQBWLIRZ-NSHDSACASA-N	309.207	3.557	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	756875602	BZSTTZZIEHFCOY-NSHDSACASA-N	304.752	3.998	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1F)c1cccc(Cl)c1	759647972	FEPDIFLADGFINS-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)c(Cl)c2)CC1	767160228	OCBCRHOVSUOSMO-CHWSQXEVSA-N	321.207	3.779	50	20	DHGD	
COC1(C(=O)NNc2cc(Cl)ccc2Cl)CCCCC1	773458738	NHTFUSRGGRGQSE-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
CC1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCCCC1	780951521	XATXSQPBNIPURL-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1ccc(Oc2ccccc2)c(F)c1	782234491	HQQCXUFDCVUPCV-UHFFFAOYSA-N	322.286	3.723	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn3cc(C)ccc3n2)cc1	789148569	RIYZQCFWEYLTKD-CXUHLZMHSA-N	301.349	3.741	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1	790829695	MMBVOQBTBKOJOV-HUUCEWRRSA-N	324.515	3.708	50	20	DHGD	
C=C(CBr)CN(C)CCc1ccc(Cl)cc1	791458701	LFOSFWHJKRKZME-UHFFFAOYSA-N	302.643	3.765	50	20	DHGD	
C[C@@H]1OCC[C@@H]1COC(=O)CCCC[C@H]1CCSS1	793438427	ROTMUUYSFUOCLF-XQQFMLRXSA-N	304.477	3.669	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(F)cc2)c1	794875739	YNRSYNYWDRHKTJ-NTEUORMPSA-N	311.360	3.924	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCC[C@H]2c2ccccn2)cc1	814998975	GLRJIWKJDLREDS-HNNXBMFYSA-N	324.384	3.535	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)n(C(C)(C)C)n2)c(Cl)c1	836938878	ZDQLQAGZXQLBRX-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2cc(F)ccc2C)c1	855367727	ZMCBSAFERWPKGQ-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
C[C@]1(CN[C@@H](c2cccnc2)C2CCC2)C[C@@H]1Br	857083582	YBXLDPVUOZZJCX-RRFJBIMHSA-N	309.251	3.686	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2ccco2)C1	891543014	JFPMMKKBHBKMQD-CYBMUJFWSA-N	309.482	3.906	50	20	DHGD	
CN(Cc1cc2ccccc2o1)C(=O)[C@]1(C)C[C@H]1Br	906880537	DDPSNOLKZFSTEO-UKRRQHHQSA-N	322.202	3.565	50	20	DHGD	
CCC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1cccs1	915913353	NUNWHHQLBPRTDD-UHFFFAOYSA-N	324.409	3.682	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2cc(C)nc3ccccc23)c1	915922287	IHALPHVFXHHMGX-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)c1c(C)nc2ccccn12	915940924	LKIYTYXSSJFMLM-GFCCVEGCSA-N	300.406	3.575	50	20	DHGD	
COC(=O)NN=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	916266612	KWDPNWYWFNLYOS-UHFFFAOYSA-N	306.406	3.677	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)s1)c1nc(N)c2ccccc2n1	1337360530	HPRPNKNQNLYLGF-VQHVLOKHSA-N	312.785	3.991	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1nc(C2CC2)cs1	1528391109	JDMPNVHYIOOXPB-UHFFFAOYSA-N	301.415	3.648	50	20	DHGD	
Cc1ccc(NC(=O)c2cccc(CCl)c2)cc1C(=O)O	1600457660	NGGVBUOCDSHJKM-UHFFFAOYSA-N	303.745	3.684	50	20	DHGD	
Cc1ccc(NNC(=O)C2(CC(C)C)CCCC2)cc1C(=O)O	1600462938	SHSZXSUDFCQRFL-UHFFFAOYSA-N	318.417	3.743	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)c(F)c1)c1ccccc1	7746888	DEKZUDMUJHHKRI-DGGAMASNSA-N	312.319	3.749	50	20	DHGD	
Cc1cccc(NNC(=O)CCCCOc2cccc(C)c2)c1	66313372	FHAWUHBOFCEHJY-UHFFFAOYSA-N	312.413	3.996	50	20	DHGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)NC1CCCCC1	68301318	IHZYXPWZPMZIPQ-VBKFSLOCSA-N	305.381	3.591	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)Nc1ccccc1Cl	83056740	GUTGMQLXTGLTJQ-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Br)c1)c1ccccn1	96662836	ORNCNAJLJBUEQB-XFFZJAGNSA-N	301.143	3.614	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1ccccc1	102808967	MNLDDODPZOEIRO-OAHLLOKOSA-N	319.449	3.685	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(F)cn1	103072214	HBILWSGAWFJNJU-NSHDSACASA-N	300.424	3.873	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cc1	132435527	LHXAPXFIHASHPL-GDNBJRDFSA-N	310.328	3.518	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(F)cc(F)c2)cc1	158742691	YGHVUIRACWXHIV-WUXMJOGZSA-N	314.291	3.519	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)CC2(C)CCCCC2)c1	159972775	XIRCQSINMNORFA-UHFFFAOYSA-N	319.474	3.673	50	20	DHGD	
CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	182290346	DEVIRBOSZFANCE-UVTDQMKNSA-N	310.328	3.770	50	20	DHGD	
CN1C(=O)CCc2cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc21	274743802	FXZKJGGZCJVIPA-XNTDXEJSSA-N	310.397	3.508	50	20	DHGD	
CSC[C@H]1CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	292435117	NZPBIVDWXGDEED-HFVKVNHUSA-N	317.414	3.534	50	20	DHGD	
O=C(/C=C\c1ccc(O)cc1)NNc1cc(Cl)cc(Cl)c1	493384133	ILYYYHMGENYYPH-UTCJRWHESA-N	323.179	3.856	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1cc(F)ccc1F	727685452	NSTJBWOJKDGZQY-UHFFFAOYSA-N	316.351	3.828	50	20	DHGD	
CC1(C)CCc2cc(/C=C(/C#N)C(=O)NC3CCCC3)ccc2O1	731563781	UYLJZIDJEMGFBH-VBKFSLOCSA-N	324.424	3.756	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)ccc2F)cc1	734979893	DXJGAYHWZAYCAN-YVLHZVERSA-N	308.356	3.666	50	20	DHGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(-c2ccccc2)cc1	735410538	LAGIDWJQCCNGQR-UHFFFAOYSA-N	318.380	3.539	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C(CC1CC1)c1ccccc1	735971359	AFBQRUCTVBMSDT-UHFFFAOYSA-N	322.408	3.645	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1	742347217	WXTSTMBCODIPGK-WOJGMQOQSA-N	320.392	3.996	50	20	DHGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H](C)c1ccccc1	746367007	FCXPMFBUFRYBAV-GFCCVEGCSA-N	311.341	3.504	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ccc(OC(F)(F)F)cc1)CC	748501133	DSLYBGBODYMYQU-JPHPOWELSA-N	314.307	3.941	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(Cl)c2ccccc2c1O	751060148	SXMDLTCHTXFCSN-UHFFFAOYSA-N	312.756	3.956	50	20	DHGD	
Cc1ccc2c(c1)CCN2C(=O)/C(C#N)=C/c1ccc(F)cc1	752753210	FWCBEZWLGXEOIK-LFIBNONCSA-N	306.340	3.630	50	20	DHGD	
N#C/C(=C\c1ccc(Br)s1)C(=O)c1ccoc1	752888564	MEYNFWXVIYKPMR-WEVVVXLNSA-N	308.156	3.893	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	755761359	BPVSFFVGMALFRZ-ZDUSSCGKSA-N	302.418	3.541	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)NC1CCCCC1	759642741	JRLUQKJHDOTQIX-FMIVXFBMSA-N	306.768	3.835	50	20	DHGD	
COc1ccsc1/C=C(\C#N)c1nc(-c2ccccc2)no1	764416034	CANGTAQFFDPITM-FMIVXFBMSA-N	309.350	3.871	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1Oc1ccccc1)C1CC1	769566597	FYMSKMIKOYZCPK-UHFFFAOYSA-N	314.772	3.992	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cn(C)nc2C(C)(C)C)sc1C	769611450	ZSNUQIFMPPWOHR-KPKJPENVSA-N	300.431	3.855	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1c(F)cccc1Cl	770203897	XEHNFKSROKEBKC-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
C[C@@H](CBr)COC(=O)/C=C/SCc1ccco1	770395667	HLABLQRMPBMMKE-RWCYGVJQSA-N	319.220	3.601	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ncc(Cl)cc1Cl	775273936	XEWCJOJVOGUZET-MRVPVSSYSA-N	304.221	3.904	50	20	DHGD	
CC(C)(C)C1CCC(=CC(=O)NNc2ncncc2Cl)CC1	781813242	IGGGLRFLEWEFNQ-UHFFFAOYSA-N	322.840	3.736	50	20	DHGD	
O=C1CC[C@@H](C(=O)NNc2cccc(Cl)c2)c2ccccc21	785784456	XYMFSEPPDXISCM-OAHLLOKOSA-N	314.772	3.543	50	20	DHGD	
CCCC1(CNC(=O)NNc2ccc(Cl)c(OC)c2)CC1	789094606	OVTNHMICQBTLSL-UHFFFAOYSA-N	311.813	3.555	50	20	DHGD	
COc1cc(NNC(=O)c2cccc3c2CCC3)ccc1Cl	790173955	AAHYEXCVCALOMO-UHFFFAOYSA-N	316.788	3.594	50	20	DHGD	
CSSCCNC(=O)CCOc1ccccc1C(C)C	791113298	CCKSTJJZQQMWGW-UHFFFAOYSA-N	313.488	3.706	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@@H](C)O2	794874421	KYIDIBGTOFDDBU-PWDRSIHYSA-N	313.397	3.931	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H]1CCC(F)(F)C1	794912788	NVUHGMCEBZXGIF-QMMMGPOBSA-N	308.250	3.584	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(C#N)c(F)c1	810252219	ALPMUCWFXRDAPE-UHFFFAOYSA-N	312.348	3.717	50	20	DHGD	
CSCCCC=NNC(=O)Cc1cccc2ccccc12	814792554	UZSDLBPOAWLSCD-UHFFFAOYSA-N	300.427	3.628	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1cccc(Cl)n1	817009724	XELBDXAYFXGWFT-AWEZNQCLSA-N	317.820	3.693	50	20	DHGD	
CC(=O)CN(CC(C)C)C(=O)CCCC[C@H]1CCSS1	817620106	NQSHOCQTNDJLAE-AWEZNQCLSA-N	317.520	3.774	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2cccc(C)c2Cl)cc1	817899078	HQCCNCJUOKDEHC-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
C[C@@H](CC(C)(C)O)OC(=O)CCCC[C@@H]1CCSS1	835428792	LZVXLNDEEFHCKC-NWDGAFQWSA-N	306.493	3.793	50	20	DHGD	
O=C(Cc1ccccc1OC1CCCC1)NNc1ccccc1	837489487	XAMRLWFHJGTLEB-UHFFFAOYSA-N	310.397	3.694	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ncnc(Cl)c1C(C)C	840930266	INIXLHVGSSDCCW-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1[C@H]2CCC[C@H]21	846379570	YYMSWWGUILZRCR-GDGBQDQQSA-N	318.726	3.848	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CC[C@H](C)c1ccccc1	846641396	DBRLDBROZXJNCO-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
C=CCCn1cc(/C=C(/C#N)C(=O)c2ccc(CCC)cc2)nn1	849243442	UBSOLSGVSSHMKI-ATVHPVEESA-N	320.396	3.597	50	20	DHGD	
CCS[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)C(C)C	855619235	FEHIKELBKQPIGQ-GFCCVEGCSA-N	304.818	3.700	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@H]1Br	856809232	KXSYESWXBUVQQJ-DTZQCDIJSA-N	323.278	3.871	50	20	DHGD	
Cc1cccc2c(C(=O)NC[C@@]3(C)C[C@H]3Br)coc12	857386170	RGDJGJYUGOVPOG-IUODEOHRSA-N	322.202	3.645	50	20	DHGD	
C[C@H](NNC(=O)[C@H](C)c1ccc2ccccc2c1)C(F)(F)F	862311340	MOGQMIFRIZPJDF-MNOVXSKESA-N	310.319	3.515	50	20	DHGD	
Cc1ccccc1NNC(=O)COc1ccc(C(C)C)c(C)c1	865488095	BSCQSIAWEJENBR-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C	868531748	DOKGFPGSRGGIBB-VQHVLOKHSA-N	316.254	3.535	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1nocc1C	875099918	BRAORIGAJBZZTO-UHFFFAOYSA-N	315.398	3.933	50	20	DHGD	
C[C@@]1(C(=O)Nc2ccc(C(F)F)cc2)C[C@H]1Br	885582782	NMKKQCURJPQQMF-BXKDBHETSA-N	304.134	3.736	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)(F)F)cc1)NC1CCCCC1	916299589	QKQKEAIKEXCACV-UHFFFAOYSA-N	313.323	3.671	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)[C@H](C)CC2CCCCC2)cc1	1318480912	YABWOYHQQFQLLC-CQSZACIVSA-N	316.445	3.617	50	20	DHGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNc1ccccc1Cl)C2	1319383597	UYHIKKKIUUMVBI-HNNXBMFYSA-N	318.829	3.809	50	20	DHGD	
O=C(NN=CC1CCC(c2ccccc2)CC1)c1ccncc1	1321199471	MRRVLVOCIUREKI-UHFFFAOYSA-N	307.397	3.771	50	20	DHGD	
O=C(Cc1ccncc1)NN=CC1CCC(c2ccccc2)CC1	1321200666	ZEGSKQPIRXQRPB-UHFFFAOYSA-N	321.424	3.700	50	20	DHGD	
C[C@H](CBr)COC(=O)CSCc1cccs1	1321295459	YQLBZTIDHYJOAJ-SECBINFHSA-N	323.277	3.556	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2)C1CCCCC1	1339573278	AUXKGWJCHRGZNN-AQTBWJFISA-N	308.425	3.873	50	20	DHGD	
CCc1oc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1C(=O)O	1610078638	AQWSXQZBFANMTJ-YHYXMXQVSA-N	314.366	3.938	50	20	DHGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1	13345085	SFLHHQCQZCHVCM-XNTDXEJSSA-N	320.348	3.547	50	20	DHGD	
Cc1cc(NNC(=O)C2CCCCC2)ccc1Br	114888333	JJCWGJHOXOFMBV-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
CCOc1ccccc1C(=O)NNc1cccc2c1CCCC2	120077626	JWHXQAZGQVZWTB-UHFFFAOYSA-N	310.397	3.721	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2c(Cl)cccc2Cl)cc1	120467588	LKBFMQSZEXJRJJ-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCCOCc2ccccc2)c1	150784077	JVBWODOCZGIWEW-UHFFFAOYSA-N	316.376	3.574	50	20	DHGD	
C[C@H](NC[C@@H](C)CBr)c1ccc(-n2cccn2)cc1	152794727	VSBRJTZMOKTSTP-STQMWFEESA-N	322.250	3.554	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1cccc(F)c1	154247918	GEIYGWCAYBXZOI-OAHLLOKOSA-N	304.390	3.840	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2cc(C)ccc2C)cc1C	180774370	JGFZLRNEUCKZIZ-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)cc1	189596869	LHUORJINUQNGHF-UHFFFAOYSA-N	313.357	3.784	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)cc1	254971562	KAIQTPTVWTWCKB-PDGQHHTCSA-N	320.392	3.617	50	20	DHGD	
CCn1nc(NC(=O)NNc2ccccc2Cl)cc1C1CC1	271230182	CZRFGPFBZJGHLE-UHFFFAOYSA-N	319.796	3.582	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1noc2c1CCCCC2	281822061	REQPKAHEUPMBPA-UHFFFAOYSA-N	313.401	3.571	50	20	DHGD	
C[C@H]1c2ccsc2CCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	491013827	VMXWPJYVRGJAQR-GVIGZQTCSA-N	324.405	3.507	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)/C=C\c2cncc(F)c2)cc1	492520185	IJFHZVSPURIBFL-WTKPLQERSA-N	313.376	3.675	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NN=c1cc[nH]c2ccccc12	734092352	KWGPJBCAPRSWLA-OAHLLOKOSA-N	311.429	3.706	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C	742026411	OGHLNUTYGXOYKR-NEOJFIHZSA-N	318.804	3.597	50	20	DHGD	
CC[C@@H]1CO[C@H](C)CN1C(=O)CCCC[C@H]1CCSS1	742713973	BQYXHFGFFAXREO-MCIONIFRSA-N	317.520	3.726	50	20	DHGD	
C/C(C=NNC(=O)Nc1ccc(C(=O)O)cc1)=C\c1ccccc1	743444441	KTGVKKMEHASKJI-AOWAQQDZSA-N	323.352	3.596	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C(F)(F)c2ccc(F)cc2)c(C)c1	743763150	YQAASGDWQXHSFK-UHFFFAOYSA-N	322.330	3.986	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745309215	ZIDFMNZBGXWISQ-CQSZACIVSA-N	318.808	3.903	50	20	DHGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2)c1	746340611	NAOMACRAUFUIOB-AQTBWJFISA-N	321.376	3.892	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CSCc1ccc(F)cc1	748561485	IUHYLMIEJPEHPI-UHFFFAOYSA-N	322.380	3.650	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1sccc1C1CC1	748638176	SBJRBDBBGXQAMY-UHFFFAOYSA-N	324.352	3.984	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(F)c(F)c1	749818552	YMPAFBLCKYBCIF-UHFFFAOYSA-N	314.291	3.865	50	20	DHGD	
CCC1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)COC1	755034676	WUYXSWVCJCWXIK-UHFFFAOYSA-N	323.607	3.517	50	20	DHGD	
O=C(NNc1ccccc1)c1ccccc1CCC(F)(F)F	759656030	SFBZTHUUTLAEFA-UHFFFAOYSA-N	308.303	3.938	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=C1CC(C(F)F)C1	766018023	IZXMPAJYRPPWTC-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
Cc1ccc(C=NNC(=O)NCCc2cccs2)cc1Cl	766449956	HWSMTJQJGYGAII-UHFFFAOYSA-N	321.833	3.586	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)Cc2ccccc21	766974544	CYEGKMVDSFJYAG-BXUZGUMPSA-N	324.262	3.942	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C(C)CCC2CC2)cc1	768766518	BVIMTYLTCGQTKZ-AWEZNQCLSA-N	318.417	3.535	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)OC[C@@H](C)CBr	770417784	KHLZNBRBCMZLDI-YNEHKIRRSA-N	321.255	3.546	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCSc2ccccc21	771697756	FNZZIPJCCYCTHU-CYBMUJFWSA-N	316.401	3.857	50	20	DHGD	
O=C(NN=C1CC2(CCC2)C1)Nc1ccc(OC(F)F)cc1	772845742	SKPIITQEDIOKFC-UHFFFAOYSA-N	309.316	3.730	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ncc(Cl)cc1Cl)CC	775271419	JJRUTWSTSGMIFN-XPVIYQEVSA-N	300.189	3.744	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1CCc2c(Cl)cccc21	775781923	ZTBCBOFYPRZSFV-LBPRGKRZSA-N	304.752	3.652	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	780939953	LLOCNHFKLPVTOI-KTKRTIGZSA-N	320.780	3.580	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2scnc2C2CC2)ncn1	782355054	RGOTXWHTEDAAQG-WMZJFQQLSA-N	300.412	3.597	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)Cc1cn2ccccc2n1	789022932	IFVICPANNFHGDL-UHFFFAOYSA-N	312.417	3.505	50	20	DHGD	
COc1cc(NNC(=O)N[C@H]2CCC(C)(C)C2)ccc1Cl	789162169	IZKJWSIXQKUSSW-NSHDSACASA-N	311.813	3.553	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	791213427	JVOYTQBOYUYEOC-ZWKOTPCHSA-N	317.392	3.790	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNC(=O)CC(C)(C)C	792591749	CRQUYCLGOBQEGD-ZIAGYGMSSA-N	316.445	3.560	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCC[C@H](C(C)C)C1	794469780	RQCINLZCWHKGMM-AWEZNQCLSA-N	312.417	3.575	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2c(C)cccc2C(C)C)c(O)n1	794949411	PVSJTNZBUGOGKA-UHFFFAOYSA-N	313.401	3.593	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ncccc1C(F)(F)F	795120637	LKRXDICWGPWDDN-CYBMUJFWSA-N	303.328	3.760	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccccc1-n1cccn1	799754000	AAVREAIDZMWDAS-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
CCO[C@@H](C(=O)NNc1c(C)cccc1CC)c1ccccc1	799759399	OHKSRWIKOVSZQE-GOSISDBHSA-N	312.413	3.778	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(CCC(C)C)C2CC2)c1	802706311	JDOCHOGYYOBGHO-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
CC(C)SCCNC(=O)NNc1ccc(C(C)(C)C)cc1	807573342	LNEGTPDGXIDIER-UHFFFAOYSA-N	309.479	3.752	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	814684112	DUGSVTRCPWNHMO-LBPRGKRZSA-N	303.362	3.527	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(-n3cccc3)c2)cc1	817911202	NDHXODJQDMAWMK-UHFFFAOYSA-N	321.380	3.633	50	20	DHGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNc1cccc(Cl)c1	820686735	SWCRCYHPZRYKLZ-QMMMGPOBSA-N	307.608	3.757	50	20	DHGD	
CO[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CC1(C)C	831547054	HZWPWPXMBUXMJT-AWEZNQCLSA-N	301.547	3.755	50	20	DHGD	
Cc1ncc(C(=O)NNc2c(C)cccc2Cl)c(C(C)C)n1	836935289	WIIIINPBXGODTL-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCN2CCCC2)C1	844335678	IKYNDRFQKZPBOH-MRXNPFEDSA-N	312.574	3.568	50	20	DHGD	
C[C@H](O)CCCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345625	UWOCRAUWHHSFKS-HNNXBMFYSA-N	315.574	3.881	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849177583	ACRFOCYNRPSFQO-MUMAZLPKSA-N	313.397	3.767	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](c2cccs2)C2CC2)cc1F	853265707	FCUOYEQNYXOCAB-HNNXBMFYSA-N	319.405	3.973	50	20	DHGD	
Cc1cc([C@H]2CCCN2C[C@@H](CBr)C2CC2)on1	859079745	WMXPQVWEZYCGRT-CHWSQXEVSA-N	313.239	3.541	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=CCCc2ccccc2)c1C	916337004	WEQXIWNKAYRMRM-KRWDZBQOSA-N	324.424	3.806	50	20	DHGD	
Cn1ccnc1-c1cccc(NC(=O)C2CCC(Cl)CC2)c1	1348550480	ZSEKERHOFZFLDO-UHFFFAOYSA-N	317.820	3.823	50	20	DHGD	
COC(=O)[C@@H](C)c1cccc(NC(=O)C2CCC(Cl)CC2)c1	1349941016	KBWQYAYGIIZVSD-DCBWTQNWSA-N	323.820	3.699	50	20	DHGD	
Cc1c(NNC(=O)c2ccc(C3CCC3)cc2)cccc1C(=O)O	1600054169	MDAITAYDCODIRQ-UHFFFAOYSA-N	324.380	3.718	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)cc1C(=O)O	1600461313	JQMHQZVMGFZTTR-HDJSIYSDSA-N	318.417	3.599	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(OC(F)F)cc1	120341947	LZCJGZYMYWCCBI-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2ccccc2Cl)c1C	152668168	KUWISJVQUFCOCR-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@H](c2ccccc2)C(C)C)c1	156064934	RDYRLMXLAKMJRJ-KRWDZBQOSA-N	316.376	3.717	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2ccccc2o1	172087779	POQJDSZMWIMAIQ-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1	181279972	IUXGLYHZFFKGAT-UHFFFAOYSA-N	319.364	3.503	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F	207849664	UUUFWUHSNSDRJV-LUAWRHEFSA-N	319.286	3.590	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(Cl)c(Cl)c1Cl	254319094	ULMFBKIZFIFXIC-UHFFFAOYSA-N	305.592	3.897	50	20	DHGD	
CN(Cc1cccc(F)c1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	255294528	NXUSNDGPNARKMF-MFOYZWKCSA-N	311.316	3.730	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@@H](c2ccccc2F)C1	255625779	PEXCWFPMHLAYPF-XLYVWGIVSA-N	308.356	3.764	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2csc(C3CC3)n2)c1	490610245	IDYDEHFKDFUVHG-MDWZMJQESA-N	309.394	3.875	50	20	DHGD	
Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)c(C)[nH]1	727779259	UOAVTLWWOFODMC-UHFFFAOYSA-N	310.184	3.702	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(SC(F)F)cc1	734980413	SCSOMGZNWHJVJY-SECBINFHSA-N	300.374	3.888	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccc(N)cc1	740759860	BHHXVSCWHLESEN-UHFFFAOYSA-N	309.413	3.788	50	20	DHGD	
Cc1ccccc1C=NNC(=O)Nc1ccc(OC(F)F)cc1	741771448	SZNUCQPUZXNLQX-UHFFFAOYSA-N	319.311	3.752	50	20	DHGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)[C@H](C)c1ccccc1	746366474	NSMGVPUICROTLQ-ZDUSSCGKSA-N	320.396	3.552	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(F)cc1Br)C(C)(C)C	748074765	BCKSIOCKYVMQLE-QMMMGPOBSA-N	317.202	3.714	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@]2(C)CCc3ccccc3C2)c1	748400655	JTLBIVGLVDINHK-FQEVSTJZSA-N	308.425	3.942	50	20	DHGD	
N#CC1(C(=O)NNc2cc(Cl)ccc2Cl)CCCCC1	752809472	DQKWXWSRBYQTRR-UHFFFAOYSA-N	312.200	3.911	50	20	DHGD	
CCc1ccc(CCC=NNC(=O)Cc2ccccc2OC)cc1	758111649	ADQJOLSRLRMHSD-UHFFFAOYSA-N	324.424	3.535	50	20	DHGD	
C/C(=C\C(=O)NNc1cccc(C(F)(F)F)n1)C(C)(C)C	762815346	YEBHKKRVGIXOTD-CMDGGOBGSA-N	301.312	3.536	50	20	DHGD	
N#C/C=C\COc1cc(OC/C=C/C#N)c(Cl)cc1Cl	763296860	ASSPQCVVTVURRF-HSFFGMMNSA-N	309.152	3.911	50	20	DHGD	
CCC[C@@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	768448329	HHFORDKNMBREDK-NEPJUHHUSA-N	304.272	3.977	50	20	DHGD	
C[C@@H](CBr)CN(C)[C@H](C)c1cc(F)ccc1F	770648277	RAJXANWNIYYPEU-VHSXEESVSA-N	306.194	3.989	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c(C(F)(F)F)o1	771422212	MSIGYGNSHINTMY-UHFFFAOYSA-N	320.217	3.642	50	20	DHGD	
Cn1c(/C(C#N)=C\c2scnc2C2CC2)nc2ccccc21	782305428	IWRKSRWLAGUUNE-WQLSENKSSA-N	306.394	3.971	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)c(Cl)c1C	783591225	XZNGYUBWQARWIJ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	794874417	GTCTVBUKOHDDSZ-KPKJPENVSA-N	322.343	3.874	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(OCCC(C)C)cc1	797313473	LQFIIJMHWNIBRK-VBKFSLOCSA-N	300.402	3.545	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc(O)c(Cl)c1	797402530	FVKVYZOAFXWMGU-GHMZBOCLSA-N	308.809	3.978	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)ccc1[N+](=O)[O-]	799760218	BVBFEVMFMDSDQP-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNC(=S)Nc1c(C)cccc1CC	800317048	UZFKUXFBDKWJLF-CYBMUJFWSA-N	321.490	3.701	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNC(=O)c1cc2ccccc2o1	804432034	NYJJVNYNENELGU-UHFFFAOYSA-N	316.401	3.800	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)Nc1cccc(-c2ccccc2)c1	806762374	CMTXHCWTSCUTKS-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)cc1	806787895	OTNBRPPMYGZGQW-RRQGHBQHSA-N	302.418	3.745	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCCc2occc2C1	808797706	DEVVIBBSHQIXPK-SOFYXZRVSA-N	309.325	3.501	50	20	DHGD	
CN(C)c1ccc(NCc2ccc(OCCCCl)cc2)nc1	811483624	JETWEQVRJVCANI-UHFFFAOYSA-N	319.836	3.767	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(C3CCCC3)cc2)cc1	812226611	IGUIVPSVAZQCBT-UHFFFAOYSA-N	317.392	3.980	50	20	DHGD	
C[C@H](CSc1ccccc1)C(=O)NNc1cccc(Cl)n1	817007398	AIJVQHKAVULDDJ-LLVKDONJSA-N	321.833	3.607	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1ccccc1Br	819409990	OSGMUWRFYIZWKU-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
C[C@H](C(=O)NNc1cc(Cl)nc(Cl)c1)C1CCCC1	819747872	YDMHJFNIMMIJES-QMMMGPOBSA-N	302.205	3.658	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(-c3nn[nH]n3)cc2)n1	820197823	NSRKMEAQXFNMBT-QPEQYQDCSA-N	322.397	3.511	50	20	DHGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1ccc(Br)cc1	824209766	WZJFVLXQTRPGMX-ZWNOBZJWSA-N	311.223	3.719	50	20	DHGD	
COc1cccc(C)c1/C=C(\C#N)C(=O)N(C)C1CCCCC1	834425124	IPHBRAOYNZOAFR-NTCAYCPXSA-N	312.413	3.702	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCC1CCC(F)(F)CC1	837677998	FUYYHDWAXMXXHW-GDNBJRDFSA-N	305.324	3.962	50	20	DHGD	
C=CCC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	839326645	SCMBNDXUVJYMSV-UHFFFAOYSA-N	300.314	3.651	50	20	DHGD	
Cn1cc(/C=C(\C#N)n2cnc3ccccc32)c(C(C)(C)C)n1	840720746	QPASDFZQVDJBHO-NTEUORMPSA-N	305.385	3.589	50	20	DHGD	
Cc1cnc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)nc1	844349337	LUTZLCPFHSNQBY-HNNXBMFYSA-N	321.541	3.771	50	20	DHGD	
CC(C)n1ccnc1C=NNC(=O)c1ccc(C(C)(C)C)cc1	853271682	MCWHQHLYRFECHN-UHFFFAOYSA-N	312.417	3.525	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc3ccccc3c2)C[C@@H]1Br	857405177	PRWPRCAXSFPQLX-HOCLYGCPSA-N	318.214	3.743	50	20	DHGD	
CC(C)CCN(CCC#N)C[C@H](CBr)C1CC1	859154639	HLNIHQZWMZVJTF-AWEZNQCLSA-N	301.272	3.669	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2cc(Cl)ccc2C)C1(C)C	885127055	LLUFDTURVNAWON-OCCSQVGLSA-N	322.836	3.733	50	20	DHGD	
N#CC(C#N)=CNc1nc(-c2ccc(OC(F)F)cc2)cs1	914746391	VEUXDCUSVHXJRG-UHFFFAOYSA-N	318.308	3.754	50	20	DHGD	
O=C(NCC1(c2ccccc2)CC1)NNc1ccccc1Cl	916234427	FGOLBZQCOWDSNI-UHFFFAOYSA-N	315.804	3.698	50	20	DHGD	
CCc1ccc(C=NNC(=O)CSc2ccc(C)cc2)cc1	916345986	RVDMGKMLILXUSQ-UHFFFAOYSA-N	312.438	3.800	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(C(F)(F)F)cc1	916351359	ISPZZHGWWCLKSP-UHFFFAOYSA-N	324.277	3.537	50	20	DHGD	
O=C(NN=Cc1ccccc1-c1ccccc1)c1ccccn1	917530297	BABVCXIGPLXXBN-UHFFFAOYSA-N	301.349	3.513	50	20	DHGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)c2n[nH]c3c2CCCC3)C1	1116886157	HEOIIPBJNQSPOL-ZDUSSCGKSA-N	316.449	3.611	50	20	DHGD	
CC(C)(C)[C@@H](Br)c1nnc(CC(F)(F)F)o1	1261431525	FHWVBHMGONTLED-LURJTMIESA-N	301.106	3.657	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)Oc2ccccc2)cc1Cl	1319145208	KUMGNADPDGSAAH-UHFFFAOYSA-N	318.804	3.949	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C2(c3cccc(C#N)c3)CC2)c(C)c1	1322773618	XKFDHDXMAMWIFD-UHFFFAOYSA-N	319.408	3.658	50	20	DHGD	
COc1ccccc1[C@H](NC(=O)CCl)c1ccccc1Cl	1341509936	SMCDKBZDJKGIRD-MRXNPFEDSA-N	324.207	3.793	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2sccc2C)cc1C(=O)O	1597790711	CXKYTHKPBKMPFA-UXBLZVDNSA-N	315.350	3.700	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1O	3570563	MXXWGNQCYMVHHC-OQLLNIDSSA-N	322.364	3.563	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H](c1ccc(F)cc1)C1CCC1	114958669	OXVGHBNVMHAALD-KRWDZBQOSA-N	313.376	3.993	50	20	DHGD	
CCS[C@H](C(=O)NNc1ncc(Cl)cc1Cl)C(C)C	132974357	IQPOTQCCZCOTOP-JTQLQIEISA-N	322.261	3.609	50	20	DHGD	
CCSc1cc(C(=O)NNc2cc(C)ccc2C)ccn1	159289988	IMUQBGNXZHXVPJ-UHFFFAOYSA-N	301.415	3.567	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	172692730	AKIYSBUHZQRQCZ-QQFZQELXSA-N	323.396	3.998	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1	192546469	HRNFKGKTTYJNIC-CCRNYGKSSA-N	321.376	3.839	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2cccs2)c1	254567194	NEQCEWYOFFXNSN-UHFFFAOYSA-N	316.426	3.709	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cc(Cl)ccc1Cl	254632215	SEUMPWORPVBKNB-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
N#C/C(=C/c1csc2ccccc12)C(=O)Nc1nccs1	254941657	ZYYULIVOGCHZCX-YFHOEESVSA-N	311.391	3.903	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)COCc3ccccc3)C2)cc1	737432969	BHESYHUTCOZZPH-UHFFFAOYSA-N	322.408	3.561	50	20	DHGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)c1cccc(Cl)c1	741759432	UYHCTGOJSZWSHO-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1ccccc1F	748049422	YNGBHCNXQZZBSZ-IOASZLSFSA-N	308.397	3.643	50	20	DHGD	
CC1(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CCCC1	748623328	MJNRKJWGMNAAOB-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC/C=C/c1ccccc1	750666640	QCQCNKXJOKHCMY-QCKOWFMMSA-N	305.333	3.556	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)ccc2Cl)n[nH]1	752810566	JQYMZAOBGOMDOI-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
COc1cc(Cl)c(C=NNC(=O)C2CCCC2)cc1Cl	753924291	OJVPBKABANYNKK-UHFFFAOYSA-N	315.200	3.642	50	20	DHGD	
O=C(NN=C[C@@H]1CCc2ccccc21)c1cccc2ncccc12	755698241	BHIXDPMFCNDELV-HNNXBMFYSA-N	315.376	3.680	50	20	DHGD	
CC(CCC1CC1)=NNC(=O)CCSc1ccc(F)cc1	768767951	NFIKOUJLEZIFJM-UHFFFAOYSA-N	308.422	3.990	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	775781126	YGIOUSQUSFKJSR-LBPRGKRZSA-N	323.393	3.653	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1ccc2ccccc2n1	777465320	KCJBPRPHQRZHIE-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(C(=O)O)cs1	782201942	YLZIVKKMWQDPMW-RUDMXATFSA-N	303.364	3.606	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2cccc3cnccc23)ccc1C	790000844	LBGPMHCVRAXSDT-UHFFFAOYSA-N	319.364	3.503	50	20	DHGD	
CC1(C)CCN(C(=O)[C@@H](Br)C(C)(C)C)CCS1	790139559	DBUFBPZRXPVYML-SNVBAGLBSA-N	322.312	3.540	50	20	DHGD	
COc1ccc(NNC(=O)c2csc3cc(C)ccc23)cc1	795079561	BYWZJOULXQKZRC-UHFFFAOYSA-N	312.394	3.975	50	20	DHGD	
C=C(CBr)COC(=O)C[C@H](C)c1cccc(F)c1	795514289	HSBMHHFRELTFHN-NSHDSACASA-N	315.182	3.814	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(F)c(C(F)(F)F)cc1F	804466977	UKDRIIRNSSFPPW-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CCc1cc(C(=O)NNc2c(C)cccc2C(C)C)cc(O)n1	812768866	KMONBTBCYLEQFL-UHFFFAOYSA-N	313.401	3.538	50	20	DHGD	
O=C(NC[C@@H]1CCCCC(F)(F)C1)NNc1ccc(F)cc1	813763367	NOQSJATXMYGGFJ-LLVKDONJSA-N	315.339	3.667	50	20	DHGD	
O=C(NN=C1CC(c2ccccc2)C1)c1ccc2ccccc2n1	814683026	ULZSRAPEOWHGFH-UHFFFAOYSA-N	315.376	3.898	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H]1CC[C@@H]2C[C@@H]12	827185543	AVFGNICMIMQJEH-NTZNESFSSA-N	323.234	3.637	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2	831377260	VZZVLDNMRVVABS-ZNMIVQPWSA-N	311.542	3.555	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(OC(C)C)n2)c(Cl)c1	836935818	BTAPISMRFDPDNV-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@@H]1CCCCC1(F)F	837679177	QLNCWNLDBUUKQZ-IPJDOKCGSA-N	305.324	3.962	50	20	DHGD	
CC(C)c1ccc([C@@H](C)OC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	837972643	WBCVALORXGPJNY-UHPUNMKFSA-N	323.396	3.755	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2cccc(Br)c2)CC1	845855592	XLZFOMYSFOYFFI-XYPYZODXSA-N	311.223	3.719	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)cc1F	849179255	PWYQSIWPYIOUOD-KPKJPENVSA-N	303.333	3.525	50	20	DHGD	
Cc1ncccc1CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852523971	MYGISAZMBFGHAQ-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCc2cncs2)C1	852524365	QMQNCURRCFGTBJ-ZDUSSCGKSA-N	312.555	3.782	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NC[C@@]2(C)C[C@@H]2Br)c1	856808551	AKVMYLDIZPQLIP-GXTWGEPZSA-N	311.223	3.598	50	20	DHGD	
CCCCCCCCCC(=O)NNC(=S)Nc1ccccn1	874956698	LXKPLKSAECTWBJ-UHFFFAOYSA-N	322.478	3.540	50	20	DHGD	
Cc1cccc(OC(F)F)c1NC(=O)NCC(Cl)Cl	878592516	YLPAKZVQNIQVSC-UHFFFAOYSA-N	313.131	3.522	50	20	DHGD	
COCCN(CC(C)C)C(=O)CCCC[C@H]1CCSS1	914505185	RIDVEBXGEHCYAQ-AWEZNQCLSA-N	319.536	3.832	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccc(F)cc1	1320953404	UVZRNQZPSWWGGJ-OTMARIDSSA-N	324.355	3.706	50	20	DHGD	
CC1CCC(=CC(=O)NNc2cc(C(F)(F)F)ccn2)CC1	1324558502	NMOZSXLBXVZBPT-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
CC[C@H](C)c1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)cc1	1776096437	BGWIVYDVBCJQEQ-ZDUSSCGKSA-N	324.380	3.662	50	20	DHGD	
N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(Cl)c1Cl	7165157	MDAKFDOKJURHOC-YRNVUSSQSA-N	318.163	3.934	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2cccc(Cl)c2)s1	43010331	SLZYKTGMPQHCFR-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2csc([N+](=O)[O-])c2)s1	105570577	FBXORZKPVJCTKF-WMZJFQQLSA-N	304.352	3.816	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C)c1C	108658637	VGOXJRMRGJIDNI-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
CCC(=CC(=O)NNc1ccc(OCC(F)(F)F)cc1)CC	124538889	PEEYVHLYBSXPOH-UHFFFAOYSA-N	316.323	3.817	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C	125508801	VVFLHCIGAJKHKK-WSQKDGNHSA-N	300.189	3.639	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)cc(C)c1F	131450370	QTYHGSQBGZXVOG-UHFFFAOYSA-N	312.266	3.617	50	20	DHGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1cccc(F)c1	155089430	IRTYAGUBTCPCMS-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(F)c(F)c1F	183911732	ZQEJISQJHSPQMJ-UHFFFAOYSA-N	313.254	3.700	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1c(C)nn(-c2ccccc2)c1C	207911373	VCDYTQRTLHEIBB-VBKFSLOCSA-N	323.396	3.739	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1	213090616	IGACFPICQUUEJC-NVNXTCNLSA-N	322.364	3.558	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1CCC[C@@H](OC)C1	281810492	QDIMRPWYVFOFHF-GOEBONIOSA-N	304.434	3.596	50	20	DHGD	
CCNc1cc(C)ccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491084800	PEEVHZMVQFWRJA-PTNGSMBKSA-N	321.380	3.678	50	20	DHGD	
CCCN(C[C@@H](CBr)C1CC1)CC(F)(F)F	701844924	XENKJESGZDWFHS-SNVBAGLBSA-N	302.178	3.682	50	20	DHGD	
Cc1cc(OC(=O)c2csc(C(C)(C)C)n2)ccc1[N+](=O)[O-]	726498867	RPJOVHMCODBYNB-UHFFFAOYSA-N	320.370	3.876	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1ccc(OC)c(OC)c1	727250069	GIUSIGUKVDSAFN-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1c(C)nc2ccccn12	727254048	MLQKMMAKSGEYLO-CQSZACIVSA-N	312.417	3.719	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(Br)cc1	728430586	CVKUMLLPGRNHBH-UHFFFAOYSA-N	311.223	3.726	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnn(C(C)C)c2)c1C	732713780	KXRSDWAOXJTQFH-PXNMLYILSA-N	308.385	3.627	50	20	DHGD	
N#C/C(=C/c1occc1Br)C(=O)c1ccccc1	735303908	BNSGAKUFRLFNIV-FLIBITNWSA-N	302.127	3.832	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCC(C)(C)C)cc1	739780034	FXCBTEXJUWBPAY-SSZFMOIBSA-N	314.429	3.935	50	20	DHGD	
CC(C)(C)c1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1	755348506	LXPKWQQUNCLLBT-UHFFFAOYSA-N	317.433	3.717	50	20	DHGD	
C#Cc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1	769945416	IIVKUEULLRYJBF-UHFFFAOYSA-N	319.286	3.835	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1cccc2ccccc12	770313865	PLPVPJXWTJIMNV-GFCCVEGCSA-N	321.214	3.957	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@@H](C)c1cccc(F)c1	770375627	REHZMGKFTVFBQE-WDEREUQCSA-N	317.198	3.894	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCc2c(Cl)cccc21	775781298	IIEKNAVYWWNLPD-GFCCVEGCSA-N	322.742	3.791	50	20	DHGD	
C#CCCCCCC(=O)NNc1ccnc2cc(Cl)ccc12	780329520	OLFHYCCFQCYGQE-UHFFFAOYSA-N	315.804	3.915	50	20	DHGD	
C[C@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccccc1	783679958	UJFHXEWRGQDZPL-NSHDSACASA-N	324.302	3.616	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccc1F)c1c[nH]c2ccccc12	787455694	PNFOZHHKEBQYJQ-LBPRGKRZSA-N	311.360	3.944	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NNc1cccc2cnccc12	787463902	HXUHPNQZLVXRLT-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)c3nc4cccc(C)c4[nH]3)cn2c1	789141387	DPQRIHIGRVWZAO-ZSOIEALJSA-N	313.364	3.892	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CC(C)(C)c2ccccc21	790875326	IQHPRZYHNWKRRG-CYBMUJFWSA-N	310.488	3.719	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC1CC(F)(F)C1	794607220	WVSQEYCXPKIIAF-LLVKDONJSA-N	309.447	3.862	50	20	DHGD	
Cc1cn2c(/C=C(/C#N)C(=O)c3ccccc3)c(C)nc2s1	796984550	MRIKFLOXWSLKKA-ZSOIEALJSA-N	307.378	3.803	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ncccc2F)cc1	804218016	MKZFFPBLDPFIES-ZDUSSCGKSA-N	315.392	3.981	50	20	DHGD	
CSc1cccc(NC(=O)NNc2cccc(Cl)c2)n1	806784112	LYPWETGMHIMHOZ-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C[C@H]2CC=CCC2)c1	814990880	IYFFCLRWNMVBLX-NSHDSACASA-N	307.781	3.812	50	20	DHGD	
COc1ccc2oc(C(=O)N(C)CC(Cl)Cl)c(C)c2c1	816629588	SKRLVTUVNHEMNK-UHFFFAOYSA-N	316.184	3.626	50	20	DHGD	
C[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(OC(F)F)c1	834954545	ZIXTVBFKQYIIAE-MNOVXSKESA-N	310.344	3.830	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1	853302748	GSPYDUKCSYHVJS-TZMCWYRMSA-N	323.318	3.643	50	20	DHGD	
Cc1ccc(C#N)c(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897418	GMYOSUBYPYEHQB-HNNXBMFYSA-N	317.509	3.862	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618822	SAGPTGQVBWQJSG-IINYFYTJSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc(NNC(=O)c2scnc2C(C)(C)C)cc1F	856229824	YCOITNFIBCADSZ-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc(C(F)F)cc2)C[C@@H]1Br	857399844	GMNXYLWARFAKBM-GWCFXTLKSA-N	318.161	3.528	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	876989644	BCEPMCLNAGHNQF-UHFFFAOYSA-N	306.312	3.509	50	20	DHGD	
CCc1onc(C)c1C=NNC(=O)c1ccc(C(C)(C)C)cc1	901144353	RYXGRYXGOLRPNQ-UHFFFAOYSA-N	313.401	3.607	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	901481670	UEUQLBLWUZDREN-GYBQTFJISA-N	303.333	3.525	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)Cc2ccc(Cl)cc2)cc1C	916351000	VUMQHZISMBZUCB-UHFFFAOYSA-N	314.816	3.958	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)C2CCCCCC2)cc1C	101962626	XIBRZEDBOSARBG-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
I[C@H]1CCC[C@@H]1OCC1CCCCC1	158383892	RCIDPCYIIZBOJP-RYUDHWBXSA-N	308.203	3.939	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(C)(C)C)s2)c1	159927989	LQZKFWYEKQOMFD-UHFFFAOYSA-N	322.405	3.950	50	20	DHGD	
COc1cc(F)cc(NNC(=O)/C=C/Sc2ccccc2)c1	178566126	RBHSVKRNJOQZCD-BQYQJAHWSA-N	318.373	3.583	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ccc2c1	182024698	HCZFAQFXSIJVQL-NTEUORMPSA-N	305.312	3.853	50	20	DHGD	
C[C@H](C1CC1)n1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1	189324434	VWHIWLDXYOOCMM-PWDRSIHYSA-N	324.359	3.539	50	20	DHGD	
CCCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	252612466	IUCCJLGRRWREOO-UHFFFAOYSA-N	311.341	3.529	50	20	DHGD	
CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	255670318	DDDYAFYXFJGSFE-FLIBITNWSA-N	302.786	3.721	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	281277540	XHLRBVQEWXQPKH-RVDMUPIBSA-N	307.397	3.999	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3cccc(Cl)n3)CC2)c1	293668094	JYOZNJBGGLFYIW-UHFFFAOYSA-N	315.804	3.527	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2csc(C3CC3)n2)c1	491135297	SVUYEBRHMPCBPU-NVNXTCNLSA-N	323.421	3.552	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)cc1	729273523	WBOKXAWMVSMIAI-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(O)cc1F)c1ccccc1	731931599	LKNVMUNTSZCJGO-HNNXBMFYSA-N	314.360	3.565	50	20	DHGD	
CC[C@H](C(=O)NN=C1CSCc2ccccc21)c1ccccc1	731933562	ZLPWMASSRMXJLG-INIZCTEOSA-N	324.449	3.948	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CCC[C@H]2c2ccccc2)c1	732527618	CPNRJOCJUZBNNS-SFHVURJKSA-N	321.424	3.806	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1sccc1C	733747437	MNCJBYFHDOZQLR-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
Cc1cc(CNC(=O)NNc2ccccc2)c2[nH]c(C)c(C)c2c1	734273695	WCKJFXQXBRNSDP-UHFFFAOYSA-N	322.412	3.919	50	20	DHGD	
Cc1cccnc1[C@H](NC(=O)NNc1ccc(F)cc1)C(C)C	734675116	CBERXZYNRSOXKL-OAHLLOKOSA-N	316.380	3.553	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1cccc2cnccc12	748773236	FPQBOZRHWXXVHR-INIZCTEOSA-N	319.408	3.947	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)[C@@H](C)c1nc2ccccc2s1	748786514	SVQZGXXWDCGKBL-SNVBAGLBSA-N	303.431	3.938	50	20	DHGD	
N#C/C(=C\c1ccc(OCC(F)(F)F)c(F)c1)c1ccncn1	758910139	DSQBOOXHVZIRMK-VZUCSPMQSA-N	323.249	3.621	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(O)c(Cl)c1	769586556	QWHFMVGZXVENFO-GHMZBOCLSA-N	308.809	3.978	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1c(C)cccc1F	771713667	MUYVXBUKWKWPGH-UHFFFAOYSA-N	304.390	3.542	50	20	DHGD	
CN(NC(=O)C1(CCOCc2ccccc2)CC1)c1ccccc1	771740738	JHDYVBLXKUVZDO-UHFFFAOYSA-N	324.424	3.541	50	20	DHGD	
Cc1cccc(F)c1NC(=O)NNc1ccc2ccccc2n1	775717433	BNINKPISBOFLOS-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CC(C)CC1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	787425928	OQJVKAXEMNHXEG-ATVHPVEESA-N	312.413	3.584	50	20	DHGD	
CC(C)NC(=O)NN=C[C@@H](C)c1ccc(C(F)(F)F)cc1	789000603	NTQCSDMOVVOVOY-SNVBAGLBSA-N	301.312	3.502	50	20	DHGD	
C=C(CBr)CN1[C@H](C)CO[C@H](c2ccccc2)[C@H]1C	791458150	DYAQKESHAGCZEQ-FMKPAKJESA-N	324.262	3.788	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)CCc1ccccc1O	797402587	HWYWWCYPMDGOAA-KBPBESRZSA-N	302.418	3.643	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1occ2c1CCC2	802823465	RCDFNFBWEMFOBK-UHFFFAOYSA-N	310.275	3.544	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC[C@@H](c1ccc(Cl)cc1)C(C)C	804705655	HXIMSUVCHQOSDP-WSYSLRRZSA-N	320.820	3.640	50	20	DHGD	
COC1(COC(=O)CCCC[C@@H]2CCSS2)CCC1	811177191	LXLJINNYHKZZGM-GFCCVEGCSA-N	304.477	3.813	50	20	DHGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNc1cccc(F)c1	815851747	SFAJZGAYLYMMIX-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
CN(CCP(=O)(c1ccccc1)c1ccccc1)C(C)(C)C	830549121	KVQLYILOJPYXSN-UHFFFAOYSA-N	315.397	3.731	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)[nH]1)c1nc2cc(F)ccc2s1	833064793	WGIZZMILZGXLRI-VMPITWQZSA-N	313.313	3.526	50	20	DHGD	
C[C@@H]1COCC[C@@H]1OC(=O)CCCC[C@H]1CCSS1	835784833	OFGZIFWDPWYTGI-AGIUHOORSA-N	304.477	3.669	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2ncccc2C(F)(F)F)CC1	839689005	YIRIQEJRYLDHEN-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CS[C@@H](C)C1	840413171	DIRWWZJXASBSAL-QWHCGFSZSA-N	307.463	3.639	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CS1	840420242	ROBYIHPUOFWCKD-BXUZGUMPSA-N	307.463	3.504	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842248867	JREPFFFQHXSDAL-SNVBAGLBSA-N	311.357	3.639	50	20	DHGD	
COCCCCN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844347779	NPEANEBWGDTGLJ-OAHLLOKOSA-N	301.547	3.899	50	20	DHGD	
C[C@H](C=NNC(=O)OCC(F)(F)F)CCc1ccccc1	853430754	OFVADIGBSWCEDF-NSHDSACASA-N	302.296	3.530	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2c(C)cc(C)cc2C)c1	857493784	CGNKLACDRMKXMQ-UHFFFAOYSA-N	312.413	3.751	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@]2(C)CC2(F)F)C1	912581327	GSJQRUWPQLRGBS-BXUZGUMPSA-N	319.468	3.654	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2ccc(-n3cccc3)cc2)c1	914835137	XJDJHWCCBAHBHZ-UHFFFAOYSA-N	319.408	3.780	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)c1ccc(F)c(F)c1	1320637038	NEDGWBKHCGCQAN-BDAKNGLRSA-N	321.161	3.643	50	20	DHGD	
CCCn1cc(/C=C(/C#N)c2nc3ccccc3n2C)c(C)n1	1337680912	ATURPUMZLQIJBX-UVTDQMKNSA-N	305.385	3.552	50	20	DHGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ccc(C(C)(C)C)cc1	1348212279	JSXKYFHDEBSDDI-CYBMUJFWSA-N	314.433	3.909	50	20	DHGD	
CCCC[C@@H](CC)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	41676500	NYUBBCBZQBTNBD-DSQDWWTGSA-N	300.402	3.632	50	20	DHGD	
CCCCC[C@H](NC(=O)NNC(=O)C(C)(C)C)c1ccccc1	102808965	MNLDDODPZOEIRO-HNNXBMFYSA-N	319.449	3.685	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1ccc([N+](=O)[O-])cc1	134090308	NTIUNKUZAKNBHI-UHFFFAOYSA-N	305.359	3.537	50	20	DHGD	
O=C(CCc1ccc(OC(F)F)cc1)NNc1ccccc1F	153108018	UJKYWYGFPKISKL-UHFFFAOYSA-N	324.302	3.503	50	20	DHGD	
CN(Cc1cnn(-c2ccccc2)c1)/C(=C/C#N)c1ccccc1	175404862	ZFZLZWGXWJUISK-UDWIEESQSA-N	314.392	3.869	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1c(Cl)cccc1Cl	178320141	GPVOVDISBSUKMH-YWEYNIOJSA-N	324.192	3.996	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)c(O)c(C)c1	213905485	SUNAXJBPISETBP-GDNBJRDFSA-N	322.364	3.563	50	20	DHGD	
CSSCCNC(=O)Nc1cccc(CC(F)(F)F)c1	284602338	NGSVSXVVRGQBML-UHFFFAOYSA-N	324.393	3.924	50	20	DHGD	
COc1ccc([C@@H]2CCCCC2=NNC(=O)C2CCC2)cc1F	732712056	OAXXZAQNRXQJSG-AWEZNQCLSA-N	318.392	3.764	50	20	DHGD	
CC(=NNC(=O)NC1CCCC1)c1sc(C(C)(C)C)nc1C	743531342	RIZNKRQLWCVIBS-UHFFFAOYSA-N	322.478	3.715	50	20	DHGD	
CCC(C)(C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	744504933	JZMFGUSEODZFPK-UHFFFAOYSA-N	317.216	3.581	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(-c2ccncc2)cc1	745193162	HLGDEWJYEZMBPY-UHFFFAOYSA-N	311.385	3.997	50	20	DHGD	
Nc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cc1	746407419	OXBFFIYJRUIQNW-UHFFFAOYSA-N	303.365	3.752	50	20	DHGD	
CCCc1ccc(C(C)=NNC(=O)c2ccc(C#N)cc2)cc1	747050873	JRMDVGBURCOLRN-UHFFFAOYSA-N	305.381	3.665	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(OC)c(OCCC(C)C)c1	747611845	XNYFJXJTHOVPTL-CQSZACIVSA-N	320.433	3.616	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H]1CCCC[C@H]1C	751165198	OLQVQZWXHYIRNO-VXGBXAGGSA-N	307.346	3.725	50	20	DHGD	
N#C/C(=C/c1ccc(Br)s1)C(=O)c1ccoc1	752888550	MEYNFWXVIYKPMR-UITAMQMPSA-N	308.156	3.893	50	20	DHGD	
Cc1nn(-c2ccccc2)c2sc(C(=O)NN=CC3CC3)cc12	755491806	QGDTYUZBJDYJIB-UHFFFAOYSA-N	324.409	3.521	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1cc(C#N)cc(Cl)n1)C(C)C	768712403	LCXSUYKTPSPAQK-CYBMUJFWSA-N	322.840	3.902	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1cc2ccccc2o1	771302521	SXXBVPQOWKJUMG-UHFFFAOYSA-N	313.332	3.707	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1cccc2c1OCCO2	771529785	JMZHFPYBABOZNY-UPHFXZBGSA-N	317.344	3.804	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2C(C)=CCC[C@H]2C)cc1	773202269	WSTLXHPCUZYVPK-CRAIPNDOSA-N	314.429	3.722	50	20	DHGD	
C=CCc1cc(/C=C(/C#N)C(=O)C2CCCC2)cc(OC)c1O	781556455	XKMPPDRGMZULBF-YBEGLDIGSA-N	311.381	3.796	50	20	DHGD	
COc1cc(NNC(=O)N[C@H](C)c2ccccc2)ccc1Cl	788844892	DJPJTGQTRAQCIS-LLVKDONJSA-N	319.792	3.736	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(C#N)c1)c1cnc2ccccc2n1	790228725	YNEMGQHXOWCECO-RIYZIHGNSA-N	300.296	3.705	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCCC1	791062697	GQNQAJRBDCYQPK-UHFFFAOYSA-N	323.368	3.784	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)CCc2ccccc2O)C1	794507761	NCHQBYQNXHLZAP-OAHLLOKOSA-N	302.418	3.643	50	20	DHGD	
C=C(CBr)COC(=O)C1(c2cccc(C)c2)CC1	795463019	CSQIHPUORYMTSH-UHFFFAOYSA-N	309.203	3.521	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)/C=C/c1ccc(OC)cc1	799756954	NJTDHBCTJPBKHP-JLHYYAGUSA-N	310.397	3.723	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2ccc(-c3cnn(C)c3)s2)n1	800791301	LDTKSKWGOLQINT-VZUCSPMQSA-N	312.423	3.978	50	20	DHGD	
CN(NC(=O)c1ccc(Cl)c2ncccc12)c1ccccc1	801600096	LFDLHTNDLSAFIR-UHFFFAOYSA-N	311.772	3.669	50	20	DHGD	
CC(C)(CC(=O)NNC(=O)Nc1ccccc1)C1CCCCC1	801990403	ILGCDOKVVKZQPA-UHFFFAOYSA-N	317.433	3.836	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc3c(c2)CCC=C3)c1	802832358	LFJGICUZUHSTHE-UHFFFAOYSA-N	312.344	3.551	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1c2c(nc3ccccc13)CCC2	808247660	JYNGKFCURTYIIA-UHFFFAOYSA-N	323.223	3.599	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H]1CCCSC1	813092234	HRAZXVRMYFEJNP-CYBMUJFWSA-N	307.463	3.640	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3C[C@H]4CC[C@H]3C4)cc2C1	814759695	LDMPBKBKSDTPGG-WOPDTQHZSA-N	302.443	3.779	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC/C=C/c1cccnc1	816739060	VFBGCWKPYAXCBT-DRDHIDPGSA-N	322.499	3.925	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)Cc2ccc(C)cc2)cc1	817886167	XTNYAWGAUFBMSJ-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
CCCCCCCCCC(=O)NNC(=O)c1ccccc1C	829231855	KBBSVCMVGQIWSD-UHFFFAOYSA-N	304.434	3.897	50	20	DHGD	
CC[C@H](C)[C@@H](C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834932038	DQEAHDHOBQXSDD-TVQRCGJNSA-N	317.216	3.770	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC12CCCC2	837193234	ZVURWCWJJBJXJB-FYXHJSOBSA-N	324.424	3.726	50	20	DHGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)NNc1cccc(F)n1	837642826	DSQMUJZJKXPRFA-UHFFFAOYSA-N	321.783	3.586	50	20	DHGD	
CN(NC(=O)Nc1cccc2ccccc12)C(=O)OC(C)(C)C	840928612	AREGFPNSFVZKAL-UHFFFAOYSA-N	315.373	3.743	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1ncccn1)=C\c1ccccc1	841663013	QTOKXTZAURIATE-QERRGBMYSA-N	322.412	3.856	50	20	DHGD	
CC(C)(O)CCN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844335534	DQJQENOIDKCKAQ-CQSZACIVSA-N	301.547	3.634	50	20	DHGD	
Cc1nccn1CCN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844350492	VUJIKGUSPLVNMC-MRXNPFEDSA-N	323.557	3.678	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1[nH]c(-c2ccccc2)nc1C	915109754	GJOOBMFQFXSLAD-UHFFFAOYSA-N	314.389	3.634	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(OCc2ccccc2)cc1	916342728	OFPTZPAHWMNMBD-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(Cl)s1	916351411	KNORLEJYUKXHLP-UHFFFAOYSA-N	310.781	3.624	50	20	DHGD	
C[C@@H](CNC(=O)NN(Cc1ccccc1)c1ccccc1)C1CC1	920055065	XJWPSMJRUVGGGO-INIZCTEOSA-N	323.440	3.954	50	20	DHGD	
CCCC[C@@H](C)N(CCCC)C(=O)/C(C#N)=C\c1cnn(C)c1	1117816471	ZSOLMFJQSWSUPB-QJISPJEISA-N	316.449	3.534	50	20	DHGD	
COC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1	1321405375	UUSRBCXQQFOERP-UHFFFAOYSA-N	318.760	3.609	50	20	DHGD	
O=C(C[C@@H]1CCCCO1)NNc1c(Cl)cc(F)cc1Cl	124272588	OYJWTUKEKYKGFN-VIFPVBQESA-N	321.179	3.535	50	20	DHGD	
C=CCCO[C@@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	126278492	WRKKAUPUJOHKOY-QMMMGPOBSA-N	321.179	3.557	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccnc2SC(F)F)c1	127470254	DCZYTKPSWCOGHI-UHFFFAOYSA-N	323.368	3.770	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1ncc(Cl)cc1Cl	132440156	WVDIKUNMNGSEEX-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
O=C(NNc1ccncc1Cl)[C@H]1CCCC[C@H]1C(F)(F)F	135881047	VTFOAHFERJCMFI-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1C	153145972	WRXOOFRPABGUSG-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccc(F)cc1	173281777	CAEPHELYTVOTSI-LBPRGKRZSA-N	304.340	3.677	50	20	DHGD	
C=C[C@](C)(CCOC)C(=O)NNc1ccc(C(C)(C)C)cc1	188754681	JAAWVLGUVWBXCE-GOSISDBHSA-N	304.434	3.656	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1C#N	191354929	RNMZLLUKJCNSJJ-RIYZIHGNSA-N	312.332	3.574	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc2ccccc2o1	192539075	OBDSCTDEYJOZGB-KAMYIIQDSA-N	318.332	3.987	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1[N+](=O)[O-]	194532443	CMXPRQBPQULNBF-VGOFMYFVSA-N	310.284	3.832	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(SCC(F)(F)F)cc1	495748444	SLAKHKJXZTUDQV-UHFFFAOYSA-N	320.336	3.763	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@]2(C1)OCc1ccccc12	588492130	OWSLBRHEEHTPGV-ACZSVRMNSA-N	320.367	3.822	50	20	DHGD	
Cn1ccc2cccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)c21	588564829	IFIQLFVFKINUQY-PTNGSMBKSA-N	319.339	3.863	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCC[C@H](C3CC3)C2)c1	737421062	PACBBUBELGPKJR-INIZCTEOSA-N	314.429	3.755	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cc3ccc(F)cc3s2)c1	748044780	ZLQZYSXUQDQQRS-UHFFFAOYSA-N	311.341	3.669	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	748571761	OSYMSIRHQSCPJM-ABAIWWIYSA-N	316.376	3.926	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748717567	BDLJIKIBGJUVRH-SNVBAGLBSA-N	313.785	3.908	50	20	DHGD	
O=C(NN=C[C@H]1CCOc2ccccc21)c1cc2ccccc2o1	752169777	ZGPOJHRCPLQZSK-CQSZACIVSA-N	320.348	3.715	50	20	DHGD	
CCSc1ccc(CC(=O)NN(C)c2ccccc2)cc1	752611090	VCEPUKJTVWQHNV-UHFFFAOYSA-N	300.427	3.509	50	20	DHGD	
COCC(=O)NN=C(C)c1ccc(-c2ccccc2Cl)s1	761818910	UAEKTWVIZKDBGO-UHFFFAOYSA-N	322.817	3.555	50	20	DHGD	
CCC(=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1)C1CC1	764790950	WNJUUFDPTDQRLY-UHFFFAOYSA-N	310.401	3.599	50	20	DHGD	
CCCCOc1ccccc1C=NNC(=O)c1ccccc1F	767360855	MPICGCFBMUFBNC-UHFFFAOYSA-N	314.360	3.769	50	20	DHGD	
CCCCCCCC(=O)NNc1ccnc(Br)c1	771546606	DQQHYJDHTAYNOC-UHFFFAOYSA-N	314.227	3.648	50	20	DHGD	
O=C(NNc1nccc2sccc12)Nc1ccc(F)c(F)c1	775377447	MPYLDVWIBWNWRH-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21	777398620	VLCXDFLWNLMJIO-XLEWUPPHSA-N	324.424	3.615	50	20	DHGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)N(C)C1CCCCC1	777872572	XERSBAAMILPARM-XNTDXEJSSA-N	300.377	3.832	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(F)c(F)c1	781066260	AZEYCBXSBKQZJT-SNVBAGLBSA-N	306.150	3.713	50	20	DHGD	
CC[C@H](O)[C@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808727228	DKHYGJRMXIAWGF-CABCVRRESA-N	301.547	3.634	50	20	DHGD	
CCCn1cc(NC(=O)NNc2c(C)cccc2C(C)C)cn1	812947595	RLZCOFZTJAXXIH-UHFFFAOYSA-N	315.421	3.874	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cccnc1Cl	814792654	VSVWYFRDFGFNJB-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@]1(C)CC1(Cl)Cl	827180672	LPFYWADPRMKVRY-GFCCVEGCSA-N	305.180	3.551	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCCN2C2CCCC2)cc1	837053733	VXNJMVXVNFWDOX-GOSISDBHSA-N	315.461	3.660	50	20	DHGD	
COC(=O)/C=C/c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)o1	848640201	JCHUUUXTCYLEFD-POLRJCGMSA-N	313.353	3.522	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C)CCCC(F)(F)F)cc1F	854022068	ZJZIUYASQIEBEG-JTQLQIEISA-N	321.318	3.881	50	20	DHGD	
C=CCCCCCN(C)C(=O)NC[C@]1(C)C[C@H]1Br	856898912	INGLITMOSIUMGH-OCCSQVGLSA-N	317.271	3.548	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)CC)c1C	857706670	LOQCHIQVNHNDGP-LFIBNONCSA-N	301.434	3.727	50	20	DHGD	
Cc1cccc(C)c1OCCC(=O)NNc1cccc(Cl)c1	914755525	LSEJDOAWDIBRSY-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccsc2)cc1	915906927	IQFJLAPBCUTVKB-UHFFFAOYSA-N	323.421	3.920	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccccc1F	915975978	GXNOQMRKJALVMD-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
O=C(NN=Cc1csc2ccccc12)c1ccc(Cl)nc1	915978527	FZLNOTIOMAYKCJ-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
O=C(NCC1CCCCCCC1)NNc1cccc([N+](=O)[O-])c1	918115145	VTMOYWZMCWBVOX-UHFFFAOYSA-N	320.393	3.581	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)CNc1ccc(C)cc1	920363367	XLGQMJYDJWJXMN-UHFFFAOYSA-N	323.440	3.840	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)OC(C)(C)C	921251934	VOIHQMRDMHWEPY-UHFFFAOYSA-N	319.188	3.861	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(Cl)c1	921262197	PGPBABIOZSNKAG-XLFIVMGGSA-N	318.804	3.647	50	20	DHGD	
Cc1cc(NNC(=O)C2(C(F)(F)F)CCC2)ccc1Cl	928340068	QJOLFLPBGGYKHA-UHFFFAOYSA-N	306.715	3.824	50	20	DHGD	
Cn1cc(Cl)c(/C=C(\C#N)c2ncc(C(C)(C)C)s2)n1	1120851891	MDLIALNYASAJRR-WEVVVXLNSA-N	306.822	3.892	50	20	DHGD	
CC(C)[C@H](NC(=O)c1cccc(CCl)c1)c1ccccn1	1337379579	WUXFBSICYBPVDV-INIZCTEOSA-N	302.805	3.948	50	20	DHGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1cccc(C(=O)O)c1	1776095455	ZEIYDPUJAVGULY-CYBMUJFWSA-N	316.401	3.707	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776751339	RGJKSWQXJQCIFP-BVBCSLMJSA-N	307.296	3.575	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cccc(F)c1	3616284	NIBJFPGRHWLVJX-GXDHUFHOSA-N	310.328	3.770	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)NC1CCCC1	14178640	BSKQEEHXFZKLHU-ACCUITESSA-N	308.381	3.961	50	20	DHGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	63278634	CHYIVLCBVZDVEW-WJDWOHSUSA-N	307.374	3.940	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)C1(c2ccccc2F)CC1	77005019	WHMCNKAQBNTXJH-UHFFFAOYSA-N	321.355	3.549	50	20	DHGD	
COc1cc(/C=C(/C#N)c2ccccn2)c(SC)cc1OC	78052741	JWFSIFWQNJKIGG-JYRVWZFOSA-N	312.394	3.885	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)ccc1F	78494173	DFVKUYKMILEIRS-AUWJEWJLSA-N	309.296	3.653	50	20	DHGD	
CC[C@@H](NNC(=O)CSc1ccc(C)cc1)c1ccccc1	112517593	CQQMTMRRHQSXSP-QGZVFWFLSA-N	314.454	3.859	50	20	DHGD	
O=C(Cc1c(F)cccc1Cl)NNc1ccccc1Cl	120786127	IECQDRGBRXVJCR-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
O=C(Cc1cccc(C(F)(F)F)c1)NNc1cccc(F)c1	154858131	AMZZNCOUXCDCLS-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1Cc1ccccc1	158724903	NRVFYNGCLSOPAN-VKAVYKQESA-N	306.365	3.660	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)c1ccccc1OC(F)F	182257301	DBSKMGWELZAZQQ-UITAMQMPSA-N	306.293	3.534	50	20	DHGD	
Cc1nc2ccc(NC(=O)NNc3c(C)cccc3F)cc2o1	184040143	GVGPGXZPEVNGKQ-UHFFFAOYSA-N	314.320	3.732	50	20	DHGD	
CCOC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	189714689	UUPUIWCGNWTPSQ-GFCCVEGCSA-N	305.509	3.632	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	193798679	GZBSMUTZUQIBNP-FLIBITNWSA-N	314.332	3.732	50	20	DHGD	
CCC(=NNC(=O)CNc1ccc(C)cc1C)c1ccccc1	257354272	WTYNTWIJLYJWRJ-UHFFFAOYSA-N	309.413	3.646	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2cccc(C(F)(F)F)c2)CC12CCCC2	295571057	ZYDIXKDGRDGENF-OAHLLOKOSA-N	323.318	3.623	50	20	DHGD	
C=C(CBr)CN[C@H](c1ccccc1)C1CCOCC1	365384477	KWFSOEHQFRDKNW-MRXNPFEDSA-N	324.262	3.695	50	20	DHGD	
CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)c1cccn1C	725845614	GJYJWVFOJBKEOP-UHFFFAOYSA-N	313.445	3.737	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1sc(C)nc1C)c1ccccc1	731931360	GDBLXRDQTXHHMW-OAHLLOKOSA-N	315.442	3.794	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3nccc4sccc34)[nH]c2c1	734250045	NQCWQTXFKIQVIH-UHFFFAOYSA-N	322.393	3.843	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cccc(C)c1	741765140	PUACGSPARWNVHD-UHFFFAOYSA-N	310.401	3.607	50	20	DHGD	
COc1cc(C2(C(=O)NNc3cccc(C)c3)CCC2)ccc1C	749528086	RYJJWRMWFVAWFQ-UHFFFAOYSA-N	324.424	3.877	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2ccco2)C1	750045626	UVBMCXZZVMYUDH-PXWILEGGSA-N	309.325	3.542	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccc(F)c2)s1)c1ccc[nH]1	750934497	YEWXCZZSWZMWHY-UHFFFAOYSA-N	313.357	3.646	50	20	DHGD	
CCC[C@H](C(=O)NNc1nccnc1C(C)C)c1ccccc1	772815937	OWUJSEZSSIJURX-HNNXBMFYSA-N	312.417	3.627	50	20	DHGD	
CC(C)c1cccc(CNC(=O)NNc2ccc(F)cc2)c1	776198318	RUYLDHGAPJYZFL-UHFFFAOYSA-N	301.365	3.775	50	20	DHGD	
O=C(NC[C@H](c1ccccc1)C(F)(F)F)NNc1ccccc1	777281680	SJXMHWLXSZAFKE-CQSZACIVSA-N	323.318	3.659	50	20	DHGD	
CC(C)C[C@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	779647873	DLDWWDBRYBEIIC-JTQLQIEISA-N	319.327	3.646	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C#N)c(C)c2)cc1	782068489	CKYVAFYCJGHYRU-GRSHGNNSSA-N	316.360	3.826	50	20	DHGD	
Cn1nc(C(F)(F)F)c(/C=C(/C#N)c2ccccn2)c1Cl	782105536	DOHQQLGUCIPGPI-VURMDHGXSA-N	312.682	3.551	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc4cnccc4c3)nc12	782341178	IENRBPBNHWPNQZ-CXUHLZMHSA-N	311.348	3.879	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)Nc1ccccc1	782881772	YZAJSOUQVNZBET-RIYZIHGNSA-N	324.767	3.821	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1OCCOC(=O)/C(C#N)=C\c1ccccc1	785345106	OJEZHQNMUKLFPE-KFZCZUEYSA-N	313.397	3.732	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCC(=O)c3ccccc32)c(C)c1	786426836	KAMTVLFAEVUQIM-QGZVFWFLSA-N	322.408	3.815	50	20	DHGD	
Cc1cc(C)c(C(=O)[C@H](C)OC(=O)/C(C#N)=C\C2CC2)cc1C	786673745	LGOMDZKWDUIKNV-CIKBWMHTSA-N	311.381	3.586	50	20	DHGD	
C=C(CBr)CN1CCC(CC(F)(F)F)CC1	792933294	HPZIKAPKYFTOOY-UHFFFAOYSA-N	300.162	3.602	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794873192	QLOXGBANSYAGMZ-JLHYYAGUSA-N	321.311	3.703	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3c(F)ccc(O)c3F)[nH]c12	794942352	MHLKXGVKFHUJPL-JXMROGBWSA-N	311.291	3.919	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	802022684	FAYKGVGFRUAVHT-RYUDHWBXSA-N	323.824	3.709	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=Cc2csc3ccccc23)c1	812397151	AMDGDVXNZXJOLD-UHFFFAOYSA-N	323.421	3.731	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CCCC12CCCC2	814823351	FVDKJFPUQIQWRJ-UHFFFAOYSA-N	300.402	3.672	50	20	DHGD	
O=C(NN=Cc1nccs1)Nc1ccc(-c2ccccc2)cc1	814856154	DGDHHUWZDUGXIB-UHFFFAOYSA-N	322.393	3.966	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1cccc(C#N)c1	819409339	JLKSWTFILFMLKL-MRXNPFEDSA-N	307.397	3.579	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(F)c1C(=O)OC	819711292	RSIOIABJFJXCAT-LBPRGKRZSA-N	324.396	3.662	50	20	DHGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNc1cc(C(F)(F)F)ccc1F	827303714	MPTCCYFDCRHRCL-WCABBAIRSA-N	316.298	3.724	50	20	DHGD	
CC(C(=O)NNc1ccc(F)cc1Br)=C1CCC1	827505968	ILTJGLDDFMHQEE-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CCC(F)(F)C2)cc1	838575135	RVRBEGNNCZUXLS-GFCCVEGCSA-N	311.376	3.872	50	20	DHGD	
Cc1cc(CNC(=O)NNc2c(C)cccc2C(C)C)ccn1	838643004	XGJHIZFLQVCZLG-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc(C(F)F)cc2)C[C@H]1Br	857399846	GMNXYLWARFAKBM-MFKMUULPSA-N	318.161	3.528	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCCC[C@@H]2N2CCCCC2)c1	863155692	VOLQRZRAUYHSRL-HNNXBMFYSA-N	319.474	3.571	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2F)CCO1	871271502	QEHWABPHZGKDOT-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cn(C)nc3C3CC3)[nH]c12	899344838	ZXFILDQTTWGJSG-MDWZMJQESA-N	303.369	3.546	50	20	DHGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)c1cnc2ccccc2n1	899368807	MRAYWQHZUQUYPW-LZYBPNLTSA-N	315.380	3.691	50	20	DHGD	
CCCCC(C)=NNC(=O)COc1cccc(C(F)(F)F)c1	916294899	VUFXYTGKTKKQBP-UHFFFAOYSA-N	316.323	3.767	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCC#N)c(C)n1CC(C)C	916605458	CJQRPJSQRAKABP-YVLHZVERSA-N	313.401	3.515	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2F)o1)c1ccc(O)cc1	917023227	NIZYHNNSQFGBTJ-UHFFFAOYSA-N	324.311	3.555	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H](C)C2CC2)c1C	920030732	ZQGNPYDZPIHJIE-HVOBPNNYSA-N	313.445	3.584	50	20	DHGD	
CN(Cc1cc(C(C)(C)C)n[nH]1)/C(=C/C#N)c1ccc(F)cc1	1116810299	NQUKPBDUUYPVGY-CXUHLZMHSA-N	312.392	3.843	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)c1ccc(F)cc1F	1116877203	NCNGSHQRIGHJHE-VIFPVBQESA-N	319.145	3.563	50	20	DHGD	
CCn1cc(CN(C(=O)c2cccc(CCl)c2)C(C)C)cn1	1120751282	ZVKVRVXTPWDOGT-UHFFFAOYSA-N	319.836	3.693	50	20	DHGD	
c1cncc(Cc2nnc(CCCC[C@@H]3CCSS3)o2)c1	1261429743	LXYPAGNSAMXLDG-CYBMUJFWSA-N	321.471	3.922	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(F)c(Cl)c1	1261833059	KOZJQCMADGXGJG-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1319144228	ABYDLSACXHMRND-PEZUJITASA-N	308.425	3.777	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2nccc(Cl)c2F)cc1	1320798458	PFBRNCUPDXLFCQ-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
O=C(N[C@H]1CCC[C@]12CCCCO2)c1cccc(CCl)c1	1550889204	HJAFRMKMPFZUPC-DOTOQJQBSA-N	307.821	3.647	50	20	DHGD	
CCC[C@H]1CCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045867	PLCJVQUIDVSMCP-LBPRGKRZSA-N	317.389	3.853	50	20	DHGD	
COc1ccc(-c2nc(NC(=O)[C@H](F)Cl)sc2C)cc1	2088605885	WCHNWXCIVFCSHU-NSHDSACASA-N	314.769	3.600	50	20	DHGD	
N#C/C(=C\c1c(F)cccc1F)C(=O)Nc1ccc(F)cc1	3570261	XGKZSTDOKMDXPK-CSKARUKUSA-N	302.255	3.650	50	20	DHGD	
Cc1cccc(NS(=O)(=O)c2ccc(CCCCl)cc2)c1	20191079	JTWRDZLCHGPVFG-UHFFFAOYSA-N	323.845	3.967	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(-n2cccc2)cc1	125589518	SZPVSCJSHUPLGJ-UHFFFAOYSA-N	311.772	3.888	50	20	DHGD	
CCOc1ccccc1NC(=O)NNc1ccc2ccccc2n1	153528267	ZKNZKTYKKVAXIM-UHFFFAOYSA-N	322.368	3.782	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc3c(C)cccn23)cc1	154740936	UDAIIECCCJNWHR-MHWRWJLKSA-N	301.349	3.741	50	20	DHGD	
CCn1cc(CC(=O)NNc2cc(C)ccc2C)c2ccccc21	159134945	CLASGYJXDSMDNA-UHFFFAOYSA-N	321.424	3.964	50	20	DHGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCS1	171577990	QVMUMYIHGMXRJH-VXGBXAGGSA-N	305.534	3.664	50	20	DHGD	
O=C(CC1CCCC1)NNc1ccccc1OC(F)(F)F	190191395	DIWLEJGWPXFMIW-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)c1cccc(F)c1	194532259	LUPKRARAAQKLRD-YBEGLDIGSA-N	321.355	3.611	50	20	DHGD	
CCCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCC1	194740922	AQZLDBKLNWFYFS-XSVZSIDJSA-N	312.413	3.774	50	20	DHGD	
CC(C)n1cnc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	282297041	KZGRKIXXUAFXJB-UHFFFAOYSA-N	300.406	3.518	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c(C)cnn2C)cc1	285627419	VXFMQYNKOWUIGE-BVTUPMQUSA-N	322.412	3.788	50	20	DHGD	
CC(F)(F)CCNC(=O)NNc1ccc(Cl)cc1Cl	297512619	GYVRSDUCPDUTDY-UHFFFAOYSA-N	312.147	3.665	50	20	DHGD	
CC1(C)[C@H]2OCC[C@H]2[C@H]1NCc1ccc(OCCCCl)cc1	368227049	NGSSACBHFLPQQQ-BBWFWOEESA-N	323.864	3.597	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCCc2sccc21	491138466	ZBDGCMISDFHJSG-IVOILVROSA-N	324.405	3.554	50	20	DHGD	
CCCN(N=Cc1ccc(COC)cc1)C(=O)OC(C)(C)C	495610455	CQJQBKSNLSYLPW-UHFFFAOYSA-N	306.406	3.814	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)c1cc2ccccc2cc1O	729632675	GMPCAQXEXGNPEC-UHFFFAOYSA-N	324.405	3.955	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735669256	CIGVXPVTHSVXCL-VBKFSLOCSA-N	313.360	3.948	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H]2C[C@@]2(C)c2ccccc2)c(C)c1	745857379	KBRUHVLMFJHTEQ-PXNSSMCTSA-N	323.440	3.968	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCCCCC2CCCC2)c1	745914328	LSARVMBQQOVSID-UHFFFAOYSA-N	300.406	3.545	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1CCCSC1	748966541	OOHBARZINXZHQS-VIFPVBQESA-N	320.245	3.515	50	20	DHGD	
COCc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)o1	764412693	UBBMEXAXGUHBSS-ZROIWOOFSA-N	321.336	3.849	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(-c2ccco2)s1	768168338	CEWROSMJNMPUAP-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C)cc(C)c1	768311300	MEODHTMKYVTKSV-NVXWUHKLSA-N	304.434	3.732	50	20	DHGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)NC1CCCCC1	768476461	NKRLTCMKGCBCGV-UHFFFAOYSA-N	322.412	3.714	50	20	DHGD	
CSc1ccsc1C(=O)OC[C@H](C)CBr	770374253	XQNSZNDHOMABHF-SSDOTTSWSA-N	309.250	3.658	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2cc(F)c(F)c(F)c2)ncn1	773176818	PCPPDSHABHEYSG-XNWCZRBMSA-N	307.300	3.680	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	775273045	CWOMRTLXYXBUCU-VIFPVBQESA-N	302.205	3.658	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)cc1	776259929	SZTVYMKSCJPMHP-DHDCSXOGSA-N	324.286	3.950	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cc(Cl)ccn2)cc1Cl	778451101	CHFQZAQTORSNSF-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
CC[C@H]1CCC[C@H](C=NNC(=O)Cc2ccccc2OC)C1	783832787	UUJSJYBSLGYYAU-GJZGRUSLSA-N	302.418	3.556	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)Nc1ccccc1C	784611219	AYCIIVPJDMRDFN-CYBMUJFWSA-N	305.422	3.754	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C(CC(C)(C)C)C1CC1	787149308	AJSVKPFSLXTEPP-UHFFFAOYSA-N	312.417	3.575	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccc(C#N)cc1Cl	788421192	RAAKMPACAKWMDJ-UHFFFAOYSA-N	311.772	3.674	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1ccc(O)c(Cl)c1	790164725	XAYQILRZEWSVEA-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)C2(C)CCCCC2)cc1C	812719050	DFTKRNBAAGTMJQ-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
COc1cc(NC(=O)NN=C(C)C(C)C)c(OC)cc1Cl	814996810	NCYUUVADCBJNLG-UHFFFAOYSA-N	313.785	3.511	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747061	JSHZTGAAEONZEF-CBVZUMJXSA-N	300.189	3.578	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(\C#N)C(=O)NC1CCCC1	834412603	LBPWOLNDWUPSCQ-GZTJUZNOSA-N	320.392	3.814	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H]2CCOC3(CCC3)C2)cc1	838522460	HAOYIQPQBUSUCE-INIZCTEOSA-N	317.433	3.538	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nccn1C1CC1	839933619	RTYYGGRWNGBFHL-GFCCVEGCSA-N	311.476	3.871	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1Cc1ncccn1	844350026	SHTZXYJCOBSIBP-HNNXBMFYSA-N	321.541	3.853	50	20	DHGD	
O=C(CC(F)(F)F)NNc1ccc(Cl)c(C(F)(F)F)c1	846378343	ABTGQDSHONVAHJ-UHFFFAOYSA-N	320.620	3.754	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2cnsn2)C1	846995431	NDZHLCUSFARROF-ZDUSSCGKSA-N	313.543	3.524	50	20	DHGD	
CC(C)CCOc1ccccc1NC(=O)NNc1ccccn1	847207544	VCJPXBUOVMIEQH-UHFFFAOYSA-N	314.389	3.655	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OCCC(C)C)cc1F	848356295	XPQDFHIATFOWOM-QBFSEMIESA-N	320.364	3.633	50	20	DHGD	
CCC[C@@H](C=NNC(=O)OCC(F)(F)F)c1ccccc1	853429904	RPVTZMUTSBENBU-LBPRGKRZSA-N	302.296	3.845	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccnc(Cl)c2)cc1	855469162	VRRAJVQENVPNJO-LLVKDONJSA-N	303.793	3.544	50	20	DHGD	
CS[C@@H](C)CC(=O)NNc1nc2ccc(Cl)cc2s1	856234575	CXQXEIBQBTUBMP-ZETCQYMHSA-N	315.851	3.534	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)C1(C(F)(F)F)CCC1	862508510	SMEIXAWZZLPKCC-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
Cc1ccccc1NNC(=O)CSCc1ccc(F)cc1	865482060	NOBJGUHXTWUNPJ-UHFFFAOYSA-N	304.390	3.511	50	20	DHGD	
CCCc1ccc(C(=O)NNc2nccnc2C2CCC2)s1	868338955	JDIKOPQRKWGFKN-UHFFFAOYSA-N	316.430	3.515	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnn(CC3CCC3)c2)cc1	899338739	MIXUFFLKSKUVFP-MFOYZWKCSA-N	320.396	3.537	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	912584571	JPDMVAIXOJPSDM-CYBMUJFWSA-N	309.482	3.824	50	20	DHGD	
O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1CCCC1	914836120	ABUFTFPSTVWGNO-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1	916278958	GFBRELQIYAPCSA-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1F	916350872	NIOZJOBEVPZPHR-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1nc2ccccc2s1	917579368	PUNBPRZVYLWTRA-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
C/C(C=NNC(=O)NCCc1cccs1)=C/c1ccccc1	920831701	YJMSDRPRIDAPLF-UITSGQOISA-N	313.426	3.679	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cnn(C2CCCC2)c1	925855070	OETAAEWXTHXXKJ-UHFFFAOYSA-N	317.368	3.594	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccn1C1CC1	1118006383	JPJGTSQLALUIOT-OWBHPGMISA-N	321.380	3.767	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1ccccc1Cl	1324246225	ZOHUKHCYPXRMEJ-LBPRGKRZSA-N	303.793	3.776	50	20	DHGD	
CCC(C)=NO[Si](C)(O/N=C(\C)CC)O/N=C(\C)CC	1857791252	OGZPYBBKQGPQNU-YSZXQWDJSA-N	301.463	3.963	50	20	DHGD	
Cc1cc(C)c(/C=C(\C#N)c2nnc3n2CCCCC3)c(C)c1	7748243	FBRDXEQVKXELAK-LFIBNONCSA-N	306.413	3.994	50	20	DHGD	
CC(C)(C)C(=O)NNC(=O)CC1CCC(c2ccccc2)CC1	108258956	FCIURPUFJCOCOX-UHFFFAOYSA-N	316.445	3.544	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152745677	QAXFZVXGAWZJHH-UHFFFAOYSA-N	322.412	3.551	50	20	DHGD	
CCC(CC)(CO)CNC(=O)CCCC[C@H]1CCSS1	153966688	GIDHOJUUGQDKOX-ZDUSSCGKSA-N	319.536	3.615	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2ccc(C#N)cc2)cc1	155586204	BTHKVAVNHIPSBL-UHFFFAOYSA-N	307.397	3.758	50	20	DHGD	
I[C@@H]1CCCC[C@@H]1OCc1ccccc1	158130625	QVNKXHYZMIFDCQ-OLZOCXBDSA-N	316.182	3.949	50	20	DHGD	
Cc1ccc(NC(=O)CN(C)/C(=C/C#N)c2ccc(F)cc2)cc1	177157313	ITBXSEQBBBAWSB-WOJGMQOQSA-N	323.371	3.569	50	20	DHGD	
CN1CC[C@H](Nc2cccc(S(F)(F)(F)(F)F)c2)C1=O	185557233	RTTCWPLWPNCHSO-JTQLQIEISA-N	316.295	3.987	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cnn(-c2ccccc2)c1	212637667	BBAWCQYWRRWPPA-DHDCSXOGSA-N	303.321	3.564	50	20	DHGD	
C[C@H](O[C@@H]1CCCC[C@H]1I)C(F)(F)F	253127844	MPNWWFLFGMQOMM-XLPZGREQSA-N	322.108	3.700	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccc(F)cc1	253483608	XGJLDNSUCMFOPU-UHFFFAOYSA-N	321.355	3.836	50	20	DHGD	
COC(=O)c1coc(/C=C(\C#N)c2nc(C(C)C)cs2)c1	274817227	RVNWJUUACZEQEA-ONNFQVAWSA-N	302.355	3.710	50	20	DHGD	
CCOc1cccc(C=NNC(=O)C(C)(C)c2ccccc2)c1	731151098	QVPKRSJFQMKQAQ-UHFFFAOYSA-N	310.397	3.513	50	20	DHGD	
Cc1ccc(F)c(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	734977957	OFHPQJRIMLGUGS-UHFFFAOYSA-N	314.404	3.801	50	20	DHGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNc2c(F)cccc2F)C1	735760212	SGWAXQGZEXMQSE-NEPJUHHUSA-N	311.376	3.806	50	20	DHGD	
CCC(=NNC(=O)C1CCCC1)c1cc(Cl)ccc1OC	736430403	ZHUAJSVMLIGLJB-UHFFFAOYSA-N	308.809	3.769	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@H]2CCC[C@H](C)C2)c(C)c1	743764365	OFACRZWFDQXOSF-LRDDRELGSA-N	304.434	3.650	50	20	DHGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	747744250	KXHXDCTUQMEFOU-AWEZNQCLSA-N	310.401	3.619	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C#N)s2)c1C	748995273	YQYOIDOVSAFNMX-JYRVWZFOSA-N	307.378	3.782	50	20	DHGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1ccc(Cl)cc1	749270902	COAOGRJDGTYBFS-CQSZACIVSA-N	322.767	3.780	50	20	DHGD	
CCSc1ccccc1C(C)=NNC(=O)CC(F)(F)F	759652472	HWEARKYQBIFNKS-UHFFFAOYSA-N	304.337	3.591	50	20	DHGD	
CCO[C@H](CC(=O)NNc1ccccc1C(F)(F)F)C(C)C	760233773	LJJOKKRVYBCTTG-CYBMUJFWSA-N	318.339	3.600	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(C(F)F)cc1	770358874	HWKOPRSQJHEYRG-MRVPVSSYSA-N	307.134	3.812	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCNc2ccccc21)c1ccccc1	774385931	UKIJPMMIARMCSW-INIZCTEOSA-N	321.424	3.906	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3c(Cl)c(Cl)ccc3[nH]2)CC1	780689665	JDSCSEFQPGARIQ-UHFFFAOYSA-N	320.179	3.771	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3ccccc3F)n[nH]2)cc1C	780948531	MEQPIVSZOROSRV-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1nc2ccc(OC)cc2cc1C	781021361	PFCPSVZNNWNKSP-QBFSEMIESA-N	313.401	3.741	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cc(C(=O)O)cs2)ccc1[N+](=O)[O-]	782206178	HRMOZNNDKSKUAS-VZUCSPMQSA-N	314.322	3.727	50	20	DHGD	
Cc1cccnc1NNC(=O)CCc1ccc(Cl)c(Cl)c1	791217019	LHJZBBJUOXKHMW-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
C[C@@]1(C=NNC(=O)Cc2cccc3ccccc23)CCCS1	792963104	VHCZEOJHPCPZGR-SFHVURJKSA-N	312.438	3.770	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc3occc3c2)cc1	794689784	CNFXNZJQVFZRJG-WQRHYEAKSA-N	316.360	3.965	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccoc2)cc(Cl)c1O	798229441	BNDKVJLHIIWHKW-LFYBBSHMSA-N	317.728	3.827	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)Nc1ccccc1C	798311595	WFQQZXAZEABCJT-UHFFFAOYSA-N	305.422	3.898	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1C)c1ccccc1	805376566	YFWVJEBSWNMPEJ-OAHLLOKOSA-N	313.357	3.540	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccn(C(C)C)n1	812765009	RYKJUNLATFHHHI-UHFFFAOYSA-N	314.433	3.582	50	20	DHGD	
CO[C@](C)(CNCc1ccc(OCCCCl)cc1)C1CC1	812772904	RVYDYNPPMCOEKN-QGZVFWFLSA-N	311.853	3.599	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CC2CCC1CC2	815970605	DQJOGWMQFKJCOU-ZBCRRDGASA-N	309.413	3.813	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CC2(CCCCC2)[C@@H]1c1ccccc1	838061321	UVRMEDFLZHKFGQ-DNKLCNGGSA-N	324.424	3.964	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCc2cc(C(C)C)no2)cc1	838473291	DABBSSJNIRRZRB-UHFFFAOYSA-N	316.405	3.748	50	20	DHGD	
CCOc1ccc(C[C@H](C)C(=O)N(C)CC(Cl)Cl)cc1	848083703	KXRSQGHJZTWYKN-NSHDSACASA-N	318.244	3.526	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(Cl)cn1	856091695	UGJANQXKNMWNNO-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCCC(F)(F)CC1	859534762	NDFCVQYPSLPGEP-RZNTYIFUSA-N	307.300	3.580	50	20	DHGD	
CCOc1cccc(CCC(=O)NNc2c(C)cccc2F)c1	860920502	AJMGHIXQSGXQSC-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc3c2ccn3CC(C)C)n1	862520505	CIVFBJRIAQTDCZ-UHFFFAOYSA-N	322.412	3.758	50	20	DHGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccccc1	864175368	JRXACUUMNPJGFF-UHFFFAOYSA-N	306.321	3.836	50	20	DHGD	
CC(C)c1ccccc1OCC(=O)NNc1ccc(Cl)cc1	865985148	CBWMINZBSLKGKO-UHFFFAOYSA-N	318.804	3.986	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)CNc1ccccc1	915937146	KMCVARXCLCPRLG-UHFFFAOYSA-N	323.440	3.959	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccccc2F)cc1	916291173	RJFXZSJFAFXEEC-UHFFFAOYSA-N	302.374	3.702	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cccs1	916345791	FYUFMYPLEOTZAC-UHFFFAOYSA-N	308.403	3.520	50	20	DHGD	
CCN(C(=O)CCl)[C@@H](c1cccnc1)c1ccc(F)cc1F	1319675282	YRPYVKFMSXMZNH-INIZCTEOSA-N	324.758	3.537	50	20	DHGD	
C[C@H](NC(=O)NN(C)c1ccccc1)c1ccc(Cl)c(F)c1	1322550011	FERXEJIOSKYUBW-NSHDSACASA-N	321.783	3.891	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CC[C@@H]1CCOC1	1326711390	XLOSFNQRQXCNOK-CVEARBPZSA-N	313.558	3.899	50	20	DHGD	
O=C(Nc1cc2c(cc1Cl)OCO2)C1CCC(Cl)CC1	1346666183	MQKKMRPMIYCRTA-UHFFFAOYSA-N	316.184	3.805	50	20	DHGD	
C[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)[C@H](C)C(C)(C)C	1589552480	GAMMPTKFHYWTGJ-UWVGGRQHSA-N	323.345	3.517	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1605254868	GQVZIFZGHLJYOI-LLVKDONJSA-N	323.345	3.805	50	20	DHGD	
N#CC(=C\C1=Cc2ccccc2OC1)/C(O)=N/c1nccs1	39994481	VGAKDMSAMVIRNK-MDWZMJQESA-N	309.350	3.657	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3c(F)cccc3F)cc2c1	118512551	GWAZPLFZPQIQOO-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2c(F)cccc2F)cc1	118515354	PYDDTRVQAAUTRQ-NSHDSACASA-N	304.340	3.774	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(-n2cccc2)c1	119104555	SRBQZXMXPWRURH-UHFFFAOYSA-N	309.344	3.682	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1[N+](=O)[O-]	120259337	JDTZQCFNBKMOMK-UHFFFAOYSA-N	319.748	3.568	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	127773603	VHLKIXIGSKFWRF-GZTJUZNOSA-N	301.434	3.536	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C(F)(F)F)cc2)c1	150848552	RUMGFISEBLPTFQ-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	172691178	VETNUOQANHFKSY-FOWTUZBSSA-N	318.376	3.548	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1	173014690	ZYLCQKFDHIPFED-XNTDXEJSSA-N	310.328	3.518	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2cccc(Cl)c2)cs1	175302986	RKCKKTUWCBJYNE-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
N#Cc1csc(C(=O)NNc2ccc(Cl)cc2Cl)c1	178877244	QKHDRAPEZSIODV-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(C)C1c2ccccc2-c2ccccc21	178970827	YNKGNFHDSDIJBU-BUHFOSPRSA-N	318.376	3.659	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)c3ccccc3n2)c1	193564019	NVEYIAKLOVNBOX-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
O=C(CCc1cscn1)NN(c1ccccc1)c1ccccc1	195076752	ONYICWWJDXARJB-UHFFFAOYSA-N	323.421	3.945	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC[C@@H](O)C(=O)OCc1ccccc1	198002981	QAQQEKKSOHHHNA-OAHLLOKOSA-N	324.493	3.503	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cnc3ccccn23)ccc1[N+](=O)[O-]	255435181	VXISGVAJLDHGQK-ZROIWOOFSA-N	304.309	3.615	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)C1CCC(C(F)(F)F)CC1	277753213	LRDSEYLVKRWRFN-UHFFFAOYSA-N	321.730	3.547	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(C#N)c(Cl)c1	286168733	UACWUCBRZMOKLA-UHFFFAOYSA-N	317.776	3.993	50	20	DHGD	
CCC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCC1	295532908	JWNWRCYOXOPSLK-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)Nc1ccc(Cl)cc1	490782940	MRENGEIXDUBXSA-YVMONPNESA-N	324.192	3.996	50	20	DHGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1cccn1C	725847000	BBUOZCWANQTUSP-UHFFFAOYSA-N	323.396	3.878	50	20	DHGD	
CCCC(=NNC(=O)Cc1cccnc1)c1ccc(Cl)cc1	728784992	ZTLCANSBPBTXJR-UHFFFAOYSA-N	315.804	3.598	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	734093872	WOBBHKOFYAVXEU-LLVKDONJSA-N	302.761	3.565	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)[C@@H]1CCCS1	743285297	KSSOXMXBAWUJJI-KRWDZBQOSA-N	312.438	3.620	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2cccc(F)c2F)c(C)c1	743762952	PWDXYAGXRPHWAV-UHFFFAOYSA-N	318.367	3.966	50	20	DHGD	
CC(C)[C@@H](Cc1ccc(F)cc1)NC(=O)NNc1ccccc1	745921638	QPDYUOHZUHLMIQ-QGZVFWFLSA-N	315.392	3.719	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)CCOc1ccccc1	747051482	OSMUAFLYIWQHDT-UHFFFAOYSA-N	324.424	3.889	50	20	DHGD	
CN(NC(=O)[C@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1	747470662	ZBHIFOLRTQOHLQ-HOTGVXAUSA-N	300.789	3.611	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(C#N)c2)oc2c(F)cccc12	748031383	VEJFRRARICJBKX-UHFFFAOYSA-N	309.300	3.509	50	20	DHGD	
CC(C)(C(=O)NNC(=O)c1ccc2ccccc2c1)C1CCCC1	756937203	ZCEUICNABSFXKL-UHFFFAOYSA-N	324.424	3.817	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2c(F)cccc2C1	757148625	CULHJILEYMWXDU-WSVATBPTSA-N	323.327	3.657	50	20	DHGD	
C=CCCC(C)=NNC(=O)c1ccc(Br)s1	758085081	RUNVXHZYRHPELL-UHFFFAOYSA-N	301.209	3.583	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-]	761255639	VNFKWMHCZPQZTC-LLVKDONJSA-N	321.377	3.674	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCC2CC2)c(C)n1CC(C)C	763863010	GJWUUQJAKANXNL-IUXPMGMMSA-N	300.402	3.621	50	20	DHGD	
C[C@H](CBr)CN(C)CCOc1ccccc1Cl	770644624	LZTNDQYFMHEKPU-LLVKDONJSA-N	320.658	3.682	50	20	DHGD	
CCn1nc(/C=C(\C#N)c2cc(SC)ncn2)c2ccccc21	773177361	VTXYAJWBOGQQAY-XYOKQWHBSA-N	321.409	3.632	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)C1=CCCCCC1	775881776	IGPILERSESKART-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	776193629	SQELWPKZVWWIMV-UXBLZVDNSA-N	320.320	3.843	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1ccc2ccccc2n1	777465321	KCJBPRPHQRZHIE-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
CC(C)COc1ncc(C(=O)NNc2ccccc2)cc1Cl	783591109	WMNHVNQIQDJURD-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
COC[C@H](NC[C@H](C)CBr)c1ccc(Cl)cc1	785963829	IOKBLAQKIKVZRL-MFKMUULPSA-N	320.658	3.648	50	20	DHGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787409563	OCKRHNMWSNZRGU-FJTRLSIBSA-N	312.413	3.630	50	20	DHGD	
CSSCCNC(=O)N[C@H](c1ccccc1C)C1CC1	790880179	RMQRFGZHFFROIP-AWEZNQCLSA-N	310.488	3.757	50	20	DHGD	
CC[C@@H](Cc1ccccc1)N(C)C(=O)NCCSSC	790883986	ZTXZDSZJYHJNGB-AWEZNQCLSA-N	312.504	3.660	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](O)C1CCCCC1	794949728	RYYOSIYEQYDCCU-QGZVFWFLSA-N	304.434	3.503	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCCCN1CCCC1	800108397	ALTPFYORCLFMRY-CQSZACIVSA-N	317.520	3.730	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@H]1CCCF	800808407	SBSJGQGZZHMQDA-STQMWFEESA-N	324.371	3.615	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1	801990402	IJWPNQUCEIHNPH-ZDUSSCGKSA-N	311.385	3.667	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H](N2CCCC2)C1	808710927	QOSHVGWWFMIMHC-INIZCTEOSA-N	312.574	3.568	50	20	DHGD	
CO[C@H](CNCc1ccc(OCCCCl)cc1)C(C)(C)C	811481944	BUCJVEFUSRUSBE-MRXNPFEDSA-N	313.869	3.845	50	20	DHGD	
CN1CCC(C)(CNCc2ccc(OCCCCl)cc2)CC1	811488969	RTQQTTKXHKXEAN-UHFFFAOYSA-N	324.896	3.516	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1cc2c(cn1)CCCC2	813015955	OBQCHCQESSNCFR-UHFFFAOYSA-N	316.792	3.762	50	20	DHGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNc1ccnc2cc(Cl)ccc12	824012262	TUCTXWODXKQTLA-COPLHBTASA-N	315.804	3.768	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc2ccccc12	834438099	GVNNMYJCFGHWOG-KFXAOSDLSA-N	321.376	3.751	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCc3ccccc3O2)cc1	839788722	NRWAOCLDBYUVSI-SFHVURJKSA-N	310.397	3.647	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(OCCC)cc1C	849249861	NMLDRJKBIDGWAI-ATVHPVEESA-N	321.442	3.863	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)sc1C	857514447	MQGWPUHTGULKMY-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
O=C(CC1CCC1)NNc1ccc(OCc2ccccc2)cc1	862518250	AJVKLNSKYHKGGV-UHFFFAOYSA-N	310.397	3.899	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1cccc(C(F)(F)F)c1	915879950	OCCFLUNKIZENQJ-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
CCCC1(C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])CCC1	1330678317	ZYGHDEGYWQPMJV-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
C[C@@]1(CNCc2ccc(N3CCCC3)cc2)C[C@H]1Br	1331033431	NEJIXPYIKLARLT-CVEARBPZSA-N	323.278	3.550	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](c2ccncc2)C1	1336493774	FAXQVUKJJVLKEA-QGZVFWFLSA-N	314.816	3.840	50	20	DHGD	
CC[C@@H](C(=O)O)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1	1603503541	QEPHAEVBMFGOQL-AWEZNQCLSA-N	315.530	3.583	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)C)ccc1OC(F)F	82076802	QLKGDBWBAOTOIP-XFFZJAGNSA-N	309.312	3.819	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2ccccc2Cl)cc1	120737127	JVRFOKQEUZOGOI-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1Cl	125239111	YIQDDNFWLBHLDF-LCYFTJDESA-N	318.804	3.704	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(F)c(F)cc2F)c1	128740399	AXSLHGVNCGQITJ-LFYBBSHMSA-N	317.266	3.902	50	20	DHGD	
CC(C)CCOC1CCN(C[C@@H](C)CBr)CC1	133633809	HRBUCGWZYHLPCI-ZDUSSCGKSA-N	306.288	3.545	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ccncc2Cl)cc1	154470859	AOZVKNKQKNOWCA-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155106994	UKHWVCIKELVWRX-UHFFFAOYSA-N	323.396	3.884	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)C12CC3CC(CC(C3)C1)C2	175480121	LLPSKZFGKYSFGN-UHFFFAOYSA-N	324.346	3.763	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1CCOCC1	175628626	BPULBEOQAOIOBC-UHFFFAOYSA-N	318.442	3.750	50	20	DHGD	
Cc1cc(OC(=O)c2c(C)noc2C(C)C)ccc1[N+](=O)[O-]	248188932	JNMOTRMFYHPBPW-UHFFFAOYSA-N	304.302	3.542	50	20	DHGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)c1ccc([N+](=O)[O-])cc1	255670816	BBDNDTDAGWFFEI-XFXZXTDPSA-N	324.727	3.960	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	270542691	XTIWFNXUQIXIBV-VUBLIPMDSA-N	319.744	3.571	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC12CCCCC2	491106528	SPQRSIHBCOOGJF-SSZFMOIBSA-N	310.397	3.624	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	733078249	IUMTUIHKTNPBSG-HNNXBMFYSA-N	324.428	3.948	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1sccc1C	733744262	FRODLLRAQRLYRJ-UHFFFAOYSA-N	322.817	3.873	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)C(C)(C)C)s2)cc1	734299390	WPCXBJGEGDCHFB-UHFFFAOYSA-N	301.415	3.615	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1C[C@H](OCC(C)C)C1(C)C	737427060	HKCNUSWILARWDM-INIZCTEOSA-N	302.418	3.552	50	20	DHGD	
COc1ccc(Cl)cc1[C@H](CC(C)C)NC=C(C#N)C#N	737751742	NCMVEOKJMPSSPN-HNNXBMFYSA-N	303.793	3.956	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2c(C)cccc2C)c1	738594797	KHXVZEBYMKSAKR-LICLKQGHSA-N	321.376	3.962	50	20	DHGD	
Cc1oc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)O	738969062	GZEGYJIZAQVIDV-IZZDOVSWSA-N	307.309	3.535	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)Cc2ccccc2C)cc1	743436404	VWMQCBUFJFYLMD-UHFFFAOYSA-N	324.424	3.671	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cnc(C2CC2)s1	748585620	NIRFFMQRZRGYCU-UHFFFAOYSA-N	313.426	3.656	50	20	DHGD	
O=C(NN=C(CC(F)(F)F)c1ccc(Cl)cc1)C1CC1	763344960	GNUHLXQTBFYSAI-UHFFFAOYSA-N	304.699	3.523	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OC[C@@H]1CCCOC1	766298718	MVMWVZIFHOHGRG-OLZOCXBDSA-N	304.477	3.670	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ncnc2ccsc12	766678448	DMURYGYVAWURRO-LLVKDONJSA-N	306.435	3.741	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccc(OC(F)F)c2)CC[C@H]1C	767376784	DYJWLSIHTLZQSA-MNOVXSKESA-N	310.344	3.830	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@@H](C)[C@H](C)C1	767387220	YNSJIACDRJPAHR-CHWSQXEVSA-N	320.458	3.716	50	20	DHGD	
C[C@@H]1NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771858756	GXOXIUJVXCMGFH-LURJTMIESA-N	316.251	3.789	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)NC1CCCC1	776190839	ZNFZCHUVGXUBLA-UKTHLTGXSA-N	302.805	3.923	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@H](OCC2CC2)C1	778172937	FLXFJNVBHGKSRW-LGEORROZSA-N	300.377	3.581	50	20	DHGD	
CC(C)[C@H]1CCC[C@@H](NS(=O)(=O)CCCCCl)CC1	780847722	HZHZAKZFLZUEPE-UONOGXRCSA-N	309.903	3.530	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCOc2ccccc2)cc1	781040877	HACYJPVTUPDFLW-UHFFFAOYSA-N	312.413	3.896	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C#N)CC)c1C	781144514	HFTXHBRHEDLNSL-LPPOOGIUSA-N	313.401	3.657	50	20	DHGD	
CC1(C(=O)NNc2nc(-c3ccccc3)no2)CCCCCC1	781334675	KVWDFXQWEGASPK-UHFFFAOYSA-N	314.389	3.540	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)cs2)s1	782201225	RFMCKQJTOGZRHC-RUDMXATFSA-N	303.364	3.606	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1nc2ccc(OC)cc2s1	788688097	IXGKYMNQLLLSJF-VUBLIPMDSA-N	300.383	3.827	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(Br)cc2C)CCC1	790803065	CGNTWKDDSJGDCR-UHFFFAOYSA-N	323.234	3.947	50	20	DHGD	
C[C@H]1C(=O)CC[C@@H]1CC(=O)NN(c1ccccc1)c1ccccc1	792938285	ATZBQRKKEVLPCQ-HZPDHXFCSA-N	322.408	3.861	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@H]1CCC[C@H](O)C1	795279708	DGQXMNHDZMFKNW-MELADBBJSA-N	318.504	3.795	50	20	DHGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)c1ccoc1	798229918	JCPLTMAMLQCCQL-KPKJPENVSA-N	307.284	3.599	50	20	DHGD	
CCCC[C@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	800332837	FYKZUHWNWQPKBH-NSHDSACASA-N	311.813	3.627	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sccc1C(C)C	805383342	XTJSOPXSOMQUSB-UHFFFAOYSA-N	319.386	3.845	50	20	DHGD	
Cc1nnc([C@H](C)NCCO[Si](C)(C)C(C)(C)C)s1	808746457	QDXASDBGVZODHG-JTQLQIEISA-N	301.532	3.519	50	20	DHGD	
CCn1cc(C(=O)/C=C/c2ccc(OCCCCl)cc2)cn1	811689718	JWHZVEQIGJAJPR-RMKNXTFCSA-N	318.804	3.807	50	20	DHGD	
CCC(=NNC(=O)C1CCCC1)c1ccccc1OC(F)F	814801546	MWSJIBBPUJMGFJ-UHFFFAOYSA-N	310.344	3.709	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccsc2Cl)cc1	814999066	JPVXYESLBMCBAB-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CCc1ccccc1Cl	816338522	MZXZZTSECWCBPC-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccc(C(C)C)nc1O	821769930	KVOWJFVJCDLFCH-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CC23CCSCC3)cc1	837053078	KDXHCCPDEFMCMX-HNNXBMFYSA-N	304.459	3.786	50	20	DHGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2cccc(Cl)c2Cl)O1	838349436	RBWISIDJPHYXRH-ZJUUUORDSA-N	317.216	3.784	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@H](O)[C@H](C2CCCC2)C1	839201050	DDQFPGQSEUUVTK-OLZSARERSA-N	314.404	3.563	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C)n2)cc1	840716092	UEBZVHZADWQVRP-FOWTUZBSSA-N	322.412	3.617	50	20	DHGD	
Cc1cc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)on1	844347548	JROLQOYCOSBHOU-CQSZACIVSA-N	310.514	3.969	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COC[C@H](C)c2ccccc2)c1	845854860	QERFPVNXMOYURQ-INIZCTEOSA-N	312.413	3.567	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc3ccccc3c2)C[C@H]1Br	857405178	PRWPRCAXSFPQLX-ZBFHGGJFSA-N	318.214	3.743	50	20	DHGD	
Cc1ccc([C@H](C)C=NNC(=O)c2cccc(N(C)C)c2)cc1	863067981	RWBXHJUFYABPSY-OAHLLOKOSA-N	309.413	3.580	50	20	DHGD	
C=C(C)CN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	875122294	LJWCFYUFMSVGLH-WQRHYEAKSA-N	313.445	3.847	50	20	DHGD	
Cc1ncoc1C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891547425	YVYYSLWTTBNYNN-ZDUSSCGKSA-N	324.497	3.609	50	20	DHGD	
CCC(F)(F)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912578652	CFQBADQHGUSTST-NSHDSACASA-N	307.457	3.654	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	915975681	AOOSGQFUIPQGIH-JTQLQIEISA-N	321.833	3.960	50	20	DHGD	
O=C(Cc1csc2ccccc12)NNc1ccc(F)cc1	916162963	WMNDDFVUUWAOBH-UHFFFAOYSA-N	300.358	3.726	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccccc1F	916273790	SQKUKVGZNYOEQK-UHFFFAOYSA-N	322.792	3.722	50	20	DHGD	
O=C(COc1ccccc1F)NN=Cc1ccc2ccccc2c1	916300438	FWAPLEHMXKAJDS-UHFFFAOYSA-N	322.339	3.508	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)CCc2ccc(OC)cc2)cc1	916328681	VZYGJYWOPQWZIH-UHFFFAOYSA-N	324.424	3.996	50	20	DHGD	
Cc1cc(CNC(=O)CCl)ccc1Oc1ccc(F)cc1	1116437682	NEAONNSGNKLICP-UHFFFAOYSA-N	307.752	3.781	50	20	DHGD	
O=C(NCC1([C@H]2CCCCO2)CCC1)c1cccc(CCl)c1	1120683573	FCTCLBNYDZRSKN-MRXNPFEDSA-N	321.848	3.895	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)n(CC3CC3)c2C)c1	1319385876	ASZSLCYTKADANQ-UHFFFAOYSA-N	311.429	3.889	50	20	DHGD	
N#Cc1cccc(N(Cc2ccc(Cl)cc2)C(=O)CCl)c1	1320465191	CFGSZRXONOKKCC-UHFFFAOYSA-N	319.191	3.984	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCC#Cc1ccccn1	1345020365	LKRICPXGFDCYQY-OAHLLOKOSA-N	321.467	3.690	50	20	DHGD	
C[C@H](c1cccc(C#N)c1)N(C)C(=O)C1CCC(Cl)CC1	1520259109	YXZAYGZFXKHFRI-XEBKBJJBSA-N	304.821	3.875	50	20	DHGD	
C[C@H](CNC(=O)C1CCC(Cl)CC1)c1nc2ccccc2o1	1528572856	VCDNGSIMTRWTMG-PNESKVBLSA-N	320.820	3.845	50	20	DHGD	
C=CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	41715251	GHVOHTRGZZXTJC-RVDMUPIBSA-N	320.348	3.503	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2ccc(Cl)cc2Cl)c1	72514551	BNEARIACXDPUIZ-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2c[nH]c3ccccc23)cc1	120456771	OOVUKJYHGKHZHR-UHFFFAOYSA-N	307.397	3.942	50	20	DHGD	
CN(C)CCCC1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	123523087	REYJIJGHCHFHGD-DJKKODMXSA-N	315.436	3.744	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	131083303	GBBBKVIGXDYDOP-LCYFTJDESA-N	314.385	3.986	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc2cn[nH]c12	133092533	RHRHGSAXSAHIIM-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1cccc(C(F)(F)F)n1	155957915	ABFHFHYCXZCINM-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NNc1cccc2cnccc12	178523301	ZPPHCPLAIPJKQE-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccnc(Cl)c1	178874010	ZELQLMSRQGXFMV-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1F	195503182	OCGISKDWCKBIHY-UKTHLTGXSA-N	305.312	3.842	50	20	DHGD	
N#C/C(=C\c1ccco1)C(=O)c1ccc(Br)s1	255302074	KORQLAGFDBFNQC-SOFGYWHQSA-N	308.156	3.893	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2c2ccc3ccccc3c2)CC1	270958164	QKAOVIUPDRYYOX-MOPGFXCFSA-N	302.377	3.626	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCCC(F)(F)C1	283528008	NOHIWFSZHVOIKQ-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
N#CC(C#N)=Cc1cc(Br)cc(Br)c1	307381921	HIPFWWZGGRNLRA-UHFFFAOYSA-N	311.964	3.642	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(C#N)cc1F	490783045	NFNNHMGBPNYHNW-SXGWCWSVSA-N	319.339	3.860	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cncc(Br)c1	588476758	DRPQNXWKKQCLPP-NYYWCZLTSA-N	317.142	3.535	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)c1nc(-c2ccncc2)cs1	588523730	DKAUAFNPTXVDND-QPEQYQDCSA-N	308.341	3.803	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1c(C)nc2ccccn12	727254047	MLQKMMAKSGEYLO-AWEZNQCLSA-N	312.417	3.719	50	20	DHGD	
CCCCC[C@H](NC(=O)NNC(=O)CC(C)C)c1ccccc1	728137445	URKWKJOIEMUSFW-INIZCTEOSA-N	319.449	3.685	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1nccs1	732621756	HZOHQGPANRIFMZ-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
Cc1[nH]c2ccc(C(=O)NNc3c(F)cccc3F)cc2c1C	735697872	MYGORDIQTWLODI-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)[C@H]1CCOC1	741758379	WUAKUXRNBOUYDY-AWEZNQCLSA-N	320.458	3.549	50	20	DHGD	
Cc1cc(C=NNC(=O)NC(C)C)c(C)n1C1CCCCC1	745009460	RVINWOINVPGBEO-UHFFFAOYSA-N	304.438	3.652	50	20	DHGD	
CN(NC(=O)NCc1cccc(Cl)c1Cl)c1ccccc1	746222309	BUIJPPYJTOVYBJ-UHFFFAOYSA-N	324.211	3.844	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)[C@H](C)c2ccccc2)cc1	746369153	NQGGVXWVTKVAKJ-HNNXBMFYSA-N	324.424	3.924	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1cccc(C#N)c1	756018338	WNGHDHWXRBBVBO-FMIVXFBMSA-N	311.772	3.758	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)C(C)C	761046171	INPUAFSMQTULHS-ZDUSSCGKSA-N	318.339	3.600	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1ccc(F)cc1)c1cccc(Cl)c1	763355782	YEFPYFCOHKVASD-LBPRGKRZSA-N	318.779	3.927	50	20	DHGD	
Cc1cc2c(O)nc([C@@H]3CC[C@@H](Br)C3)nc2s1	765983364	VDLDELRADYBBRC-HTQZYQBOSA-N	313.220	3.736	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	768192223	RBKZPXFCGJBCDQ-FDYHWXHSSA-N	316.283	3.881	50	20	DHGD	
CS[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)C(C)(C)C	768448265	LAHORWOSICJNHT-UWVGGRQHSA-N	324.328	3.690	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2nc3ccccc3[nH]2)cc1	768503650	GDPGQFHMDMNGFH-UHFFFAOYSA-N	322.412	3.591	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cccc(N(C)C)c1	769567517	AYHXZROQJMRIFQ-UONOGXRCSA-N	301.434	3.685	50	20	DHGD	
COC(=O)c1coc(/C=C(/C#N)c2ccc3ccccc3n2)c1	774120611	VIZSPAWBJJWUPE-JYRVWZFOSA-N	304.305	3.679	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C1(Cc2ccc(F)cc2)CC1	783534529	TYTRKZZHSXFGBH-UHFFFAOYSA-N	318.779	3.945	50	20	DHGD	
CC(C)=CCCNC(=O)NNc1ccccc1C(F)(F)F	790522571	ZLNCXWYRTNCMPK-UHFFFAOYSA-N	301.312	3.688	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)/C(F)=C\C1CCCCC1	805472218	BGQXEMKGNLXUCV-SDNWHVSQSA-N	318.396	3.621	50	20	DHGD	
CN(NC(=O)c1ccc(C(F)(F)F)s1)c1ccccc1	806344660	MSGRWHCPRVXVJQ-UHFFFAOYSA-N	300.305	3.548	50	20	DHGD	
CCCN(N=C1C[C@H](OCC)[C@@H]1SC)C(=O)OC(C)(C)C	807987377	IXHTUPFLOCOTPJ-QWHCGFSZSA-N	316.467	3.530	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(-c2ccc(Cl)cc2)on1	808131115	HWKCRPATQCRLQP-UHFFFAOYSA-N	319.575	3.529	50	20	DHGD	
CN(Cc1ccccc1N(C)C)/C(=C/C#N)c1ccc(F)cc1	808784573	IKRKSELXSRRMJE-XDHOZWIPSA-N	309.388	3.888	50	20	DHGD	
CN(C)[C@@H]1CCC[C@@H](NCc2ccc(OCCCCl)cc2)C1	811482999	ZSUCFGXKXDYYKG-IAGOWNOFSA-N	324.896	3.657	50	20	DHGD	
C[C@H](C[C@H]1CCOC1)NCc1ccc(OCCCCl)cc1	811484068	OYBIEJYGYWOJMM-GDBMZVCRSA-N	311.853	3.599	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](SC)c2ccccc2)cc1	817899113	HYGJXUKEJQBLRV-MRXNPFEDSA-N	316.426	3.633	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H](C)SC)c1C	835679006	VOLMJHPNEYHUDU-BPKVKKHESA-N	320.458	3.717	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(C(C)C)cc2)CCO1	837052688	JHVJEIGQJTUDEM-YOEHRIQHSA-N	304.434	3.848	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](OC)C1CC1	841025461	ZTLXJFXHQWQGCO-INIZCTEOSA-N	318.442	3.748	50	20	DHGD	
CO[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)CC(C)C	841443933	KHELEPVYNKGLFJ-ZIAGYGMSSA-N	319.536	3.878	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC(C)C)c(OC)c1)[C@H]1C[C@@H]1C	841612279	HLLTXCOHOAYFQP-JSGCOSHPSA-N	318.417	3.634	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1ccnc1[C@@H](O)c1ccco1	853689790	FFLURLSGWWVECE-AWEZNQCLSA-N	322.481	3.580	50	20	DHGD	
C[C@]1(CNC/C=C\c2ccc(F)cc2F)C[C@@H]1Br	856810535	YWFLQRTXJJGSFG-KUHFFWNOSA-N	316.189	3.741	50	20	DHGD	
C=CCC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCCCC1	857385658	KCQBXCPMGOWEIY-JSGCOSHPSA-N	314.267	3.803	50	20	DHGD	
COc1ccc(NNC(=O)CC(C)(C)c2ccc(F)cc2)cc1	878725598	YRTIXKOZKPJDDG-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	885110479	FDKACDBMBJYUTD-IUCAKERBSA-N	322.277	3.777	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CC2(CCOCC2)[C@@H]1c1ccccc1	894914961	YQHLLODJSPURFZ-ORQFMDKSSA-N	305.849	3.713	50	20	DHGD	
CC(C)=NNC(=O)c1sc(-c2ccc(Cl)cc2)cc1N	912800707	ZZKWZIAFHBLIFT-UHFFFAOYSA-N	307.806	3.776	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(Cl)s1	916281490	ZDUXLPMQSGDOIQ-UHFFFAOYSA-N	321.833	3.622	50	20	DHGD	
CC(C)C(=O)NN=C1C[C@H](c2ccccc2)Oc2ccccc21	916327233	GNQWPMPPRGXFER-GOSISDBHSA-N	308.381	3.687	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(C)[C@H](C)CC)cc1OC	916348318	HRRQEVQBENYPPK-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
Cc1cc(C=NNC(=O)Cc2cccc3ccccc23)c(C)o1	916662409	OMHHXGOJCXYWKC-UHFFFAOYSA-N	306.365	3.742	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1nnc(-c2ccccc2)o1	920381359	MDVUXOFSZTWTEL-UHFFFAOYSA-N	314.389	3.813	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cnn(C2CCCC2)c1	928797584	GYAKZSJKZHGETG-NTEUORMPSA-N	324.359	3.683	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Cl)c2occc12	936000398	LMOXZYXQOTUUHU-UHFFFAOYSA-N	306.576	3.962	50	20	DHGD	
Cc1cccc2[nH]cc(CCNC(=O)C3CCC(Cl)CC3)c12	1123554070	NXDMQTXCEZAKAK-UHFFFAOYSA-N	318.848	3.933	50	20	DHGD	
C[C@H](OC1CCCCC1)C(=O)NNc1ccc(Cl)c(F)c1	1318934380	VUYILHOSTUWADB-JTQLQIEISA-N	314.788	3.660	50	20	DHGD	
CCOc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cn1	1323997387	NQIPNXBWPRIELO-UHFFFAOYSA-N	313.401	3.669	50	20	DHGD	
CN(C)[C@H]1CCCC[C@@H]1NCc1ccc(OCCCCl)cc1	1327574295	WYNIZQFHRMGBSJ-ROUUACIJSA-N	324.896	3.657	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC(c2ccncc2)CC1	1347022079	UUFXEVXIVAGAMC-UHFFFAOYSA-N	314.816	3.840	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc2cc[nH]c2c1	43010241	LCPNUFDEKGQRPN-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
COc1ccc(-c2cc3nc([C@H](C)Cl)[nH]c(=O)c3s2)cc1	53852680	PCTDEIJGUFNKPH-QMMMGPOBSA-N	320.801	3.960	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1F)c1cccc(F)c1	116446892	KMSBEYNGOKHEHX-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
CC[C@H](CNC=C(C#N)C#N)Cc1cccc(Br)c1	134440044	IGVHIQIZGVIBEB-LBPRGKRZSA-N	318.218	3.538	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1ccc(Br)cc1F	135001382	AIGDFJCSYIZPFF-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)o1	154741193	SHRGTPVPSCMPPF-UVTDQMKNSA-N	309.321	3.555	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccccc1Cl	158465789	YQRGFPRADJODST-MNOVXSKESA-N	306.818	3.957	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(-c3ccccc3)cc2)nc1	159355840	PFSGNEGNAQMBQR-UHFFFAOYSA-N	319.364	3.514	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)cn1	171805897	YTABGXOXHMDDMR-MHWRWJLKSA-N	307.397	3.990	50	20	DHGD	
C[C@H](O)CC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	176079517	CDJGXSSPNSWVHL-QWHCGFSZSA-N	319.536	3.614	50	20	DHGD	
CC(C)Sc1ccccc1NC(=O)NNc1ccccn1	180700429	KJNIYQNQZKDJKS-UHFFFAOYSA-N	302.403	3.731	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)o1	193746598	QLPFCKBCNCEGBA-MYJSTESFSA-N	321.332	3.922	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccccc1OCC1CC1	195464892	GEIOAYMAJGFWJJ-UHFFFAOYSA-N	316.788	3.886	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)c(F)c1)C1CCCCC1	255588287	JCVNGTZMXLVLGO-UKTHLTGXSA-N	304.340	3.663	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1cc(C)ccc1C	255617932	CEZCYUNRKVKOOL-QINSGFPZSA-N	310.397	3.859	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(C#N)s1	255632672	VQBCESLBLCAUOC-JYRVWZFOSA-N	307.378	3.782	50	20	DHGD	
COc1ccc2cc(/C=C(\C#N)C(=O)[C@H]3CCCOC3)ccc2c1	280890566	FBOOFGGBOKTTMT-DKFVHQPUSA-N	321.376	3.751	50	20	DHGD	
CCCN(CCC)CCCC(=O)NNc1cccc(Cl)c1	730586447	IVCPNRSZKXMZJN-UHFFFAOYSA-N	311.857	3.685	50	20	DHGD	
O=C(NCc1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1	732927632	QYUZCORHBLDWIG-UHFFFAOYSA-N	322.195	3.827	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@@H](C)CCC)cc1	743821949	ZALSYQJZHJBKIC-ZDUSSCGKSA-N	321.490	3.783	50	20	DHGD	
CC(C)[C@H]1CCC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1	745801484	DXFBZGNGEYWPID-RYUDHWBXSA-N	310.829	3.576	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2cccc3cnccc23)n1	748776765	VIWINKCLBPXFOM-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1cccc(C(=O)OC)c1	752772510	QVMYSWBIHMOVSY-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
CC(C)c1nc(/C=C(\C#N)C(=O)c2ccoc2)c2ccccn12	752887404	KMRDXFNIQNBYBX-NTEUORMPSA-N	305.337	3.841	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(Cl)cc1)c1ccoc1	755879307	FBLPAVYYQXQBGJ-UHFFFAOYSA-N	308.790	3.566	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@](C)(CC)C2)cc1	758665720	POENKXJZXQWLGF-BAILOTOSSA-N	312.413	3.641	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ccc(OC(F)F)cc1	762003046	NRGHPPVHTUUQDR-JTQLQIEISA-N	300.349	3.803	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=O)c1ccc2ccccc2c1)C(C)C	763552632	AVVUFWOSCDJWQA-QGZVFWFLSA-N	312.413	3.673	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c(C)o1	767896207	FOKYNHVDQOOWRW-SNVBAGLBSA-N	316.426	3.847	50	20	DHGD	
C[C@@H](CBr)CN(C)CCOc1cccc(Cl)c1	770644458	JSUYUJGAALXJDT-NSHDSACASA-N	320.658	3.682	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1nccnc1C(C)C	772865831	BBORWIDZLZWMEU-UHFFFAOYSA-N	312.417	3.555	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)c1cc(F)cc(F)c1	773174044	ZWSDKUPIEOLTSD-PQMHYQBVSA-N	312.250	3.765	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1cccc(N(C)C)c1	779760868	YLWGXJDUOSREHF-CQSZACIVSA-N	303.450	3.931	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2CCCC[C@@H]2C)cc1	783832739	TZVFGGXLMDTRCE-GOEBONIOSA-N	302.418	3.556	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccc(F)cc2C)ccc1Cl	788546775	CAXFGNCIJIKOFX-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791069568	OBNDAPHIOJUPHN-UHFFFAOYSA-N	311.357	3.784	50	20	DHGD	
CCCN(N=C(C)c1ccc(O)cc1F)C(=O)OC(C)(C)C	794997685	BUTCYOWXCQWOKK-UHFFFAOYSA-N	310.369	3.902	50	20	DHGD	
CCc1cnc(NC(=O)NNc2c(C)cccc2CC)s1	799402000	XMXZSHUGPTUOSO-UHFFFAOYSA-N	304.419	3.725	50	20	DHGD	
CCSc1ccc(C(=O)NNc2c(C)cccc2CC)cn1	799760525	KGFJXEYPUIHYBM-UHFFFAOYSA-N	315.442	3.821	50	20	DHGD	
CCCOc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c1	812244202	FXGRGFFFJNCRPS-ZROIWOOFSA-N	309.325	3.843	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCCc3sccc32)cc1	814999263	RONKPWFTVSIMKO-UHFFFAOYSA-N	315.398	3.619	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)cc1	821939680	YRNXEOGSXIVBGT-RDJZCZTQSA-N	304.434	3.704	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@]1(C#N)CC12CCCC2	836936537	MUOODGSJEYMTBS-MRXNPFEDSA-N	303.793	3.566	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCOCc2ccccc2)cc1	837055360	DPSGQDPKVZIRKY-UHFFFAOYSA-N	312.413	3.860	50	20	DHGD	
Cc1cnc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)ccn12	847693038	AGHPVJMRLCXMAT-UHFFFAOYSA-N	322.412	3.697	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1C[C@H]1c1ccccc1Cl	852315045	PKODXKPWPUWHHQ-CMPLNLGQSA-N	316.879	3.506	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(OCC(C)C)cc1	855366032	ZYQRLWGYMHKGRE-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@H](c3cccnc3)C2)C[C@@H]1Br	856809231	KXSYESWXBUVQQJ-DRPJVOAASA-N	323.278	3.871	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NC[C@@]1(C)C[C@@H]1Br	857689631	LYSVKNGPIUEBFM-XJKSGUPXSA-N	324.262	3.545	50	20	DHGD	
CC(C)Oc1ccc(-c2cn(/C=C\CBr)nn2)cc1	881296112	YYJHLVJZABBVMG-OQFOIZHKSA-N	322.206	3.598	50	20	DHGD	
CC(C(=O)NNc1cc(Br)ccc1F)=C1CCC1	885148971	JBVQMJRMJPSSHL-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C(C)C)C2CC2)c1C	913203641	KAIUECQETITWEW-GZTJUZNOSA-N	313.445	3.821	50	20	DHGD	
CCC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(C)cc1	916280917	MUEQFPAADPEJHC-UHFFFAOYSA-N	309.413	3.605	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1ccc(C)s1	917026188	AFBXXMYXSZBXFJ-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
O=C(CCl)N1CCC[C@@H](Oc2ccc(Cl)c(Cl)c2)C1	1116438425	PQRZMONTOBBUCM-SNVBAGLBSA-N	322.619	3.602	50	20	DHGD	
CCCN(C(=O)CCl)[C@H]1C[C@@H](OCC)C12CCCCC2	1323268160	ABUZDROQLOZVEB-UONOGXRCSA-N	301.858	3.592	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1Cl	1595568021	XAZXYATWZRIGMC-AAIQCTMTSA-N	305.761	3.950	50	20	DHGD	
CC(C)[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cccc(C(=O)O)c1	1776094625	CQHUGHJWNOUAGI-WFASDCNBSA-N	316.401	3.563	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)o2)cc1Cl	7164843	QSHCJRYIURBUDP-YRNVUSSQSA-N	316.744	3.796	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc([N+](=O)[O-])s2)nc2ccccc21	34706665	QJTQJJWAQKTXPK-NTMALXAHSA-N	310.338	3.607	50	20	DHGD	
CSCCc1ccc(NC(=O)NNc2ccccc2F)cc1	92603321	LFZCKJGGDBLIOI-UHFFFAOYSA-N	319.405	3.880	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1)c1ccccc1	112224400	OKADMQHYMWLISO-KPKJPENVSA-N	316.282	3.674	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2noc3c2CCCCC3)c(C)c1	156598307	AYTJFLQCXWQIHO-UHFFFAOYSA-N	313.401	3.626	50	20	DHGD	
CC[C@@H](NNC(=O)CCCc1ccccc1)c1ccc(F)cc1	160877405	LNMNIUTVSAHYMU-GOSISDBHSA-N	314.404	3.921	50	20	DHGD	
CC(C)(C)[C@H](NS(=O)(=O)CCCCCl)c1ccccc1	163432602	IZGIRBLFOXFSPU-CQSZACIVSA-N	317.882	3.712	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c([N+](=O)[O-])c1	172692295	VPDJRFJOZHFWHG-LFTLCWSBSA-N	302.330	3.516	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc2c(s1)CCCC2	178497638	BULXREGKKPBZBG-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2cc(F)c(F)c(F)c2)c(C)c1	180445584	AUZFMMIKJOOQQX-UHFFFAOYSA-N	322.330	3.715	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)COCc2ccccc2)cc1	181123647	KJEXLPCWXWNKJX-UHFFFAOYSA-N	312.413	3.644	50	20	DHGD	
CC[C@H](CSC)NC(=O)CCCC[C@@H]1CCSS1	181226009	ZILRCIUCWJRXGE-VXGBXAGGSA-N	307.550	3.958	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)c1c[nH]c2cc(F)ccc12	186401853	QHLNRZGXGWZOFJ-WZUFQYTHSA-N	309.275	3.631	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cc(C)ccc2C)n1	269600880	YCQAHVPAFOTNGH-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccccn2)c1C	282870914	CTCXESJINVUEPI-XDUBLRSXSA-N	322.412	3.796	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2cc(Cl)cc(Cl)c2)CC12CCCC2	295817172	XKYHZYQWHXMUDX-OAHLLOKOSA-N	324.211	3.911	50	20	DHGD	
FC(F)(F)c1ccc(Br)nc1CBr	306603366	MKVWQLWZWGQYOX-UHFFFAOYSA-N	318.918	3.758	50	20	DHGD	
CN(C)CCCCC(=O)NN(c1ccccc1)c1ccccc1	741209996	WSEIRQGTSPNWRK-UHFFFAOYSA-N	311.429	3.588	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)nc1)c1cc(F)ccc1F	743437156	CQIJJBDOXYDKNU-UHFFFAOYSA-N	323.730	3.557	50	20	DHGD	
Cc1ccc2c(CCC(=O)NN(C)c3ccccc3)c[nH]c2c1	745990365	CQBVNDOAEJFSES-UHFFFAOYSA-N	307.397	3.577	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccc(Br)cc1C	748740901	QYGUAWMOTCTLSU-CSKARUKUSA-N	311.223	3.947	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NOCC(C)C)c1C	750234342	XUVMFACWHYJVLA-LICLKQGHSA-N	317.433	3.516	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1cccc(Cl)c1	750664697	WTJKZTJFPSNNIL-RIYZIHGNSA-N	313.740	3.696	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cncn2)cc1)c1ccc2ccccc2n1	750911742	AHUPBLUDZHMNJG-BOPFTXTBSA-N	323.359	3.880	50	20	DHGD	
O=C(CC1CCCC1)NNc1cc(C(F)(F)F)ccc1F	754154315	XYCVIGOTBFSHNF-UHFFFAOYSA-N	304.287	3.868	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCCCC2(C)C)cc1OC	757563642	MRPJIJORYDVIHQ-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1cc(Cl)c(Cl)cc1O	766011709	RMGCLZPAMWVWSM-ZETCQYMHSA-N	303.189	3.585	50	20	DHGD	
CCC1(CC)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768253481	QPEABZCYRSASFX-LLVKDONJSA-N	304.272	3.835	50	20	DHGD	
CCCc1csc(NC(=O)NNc2c(C)cccc2F)n1	771176796	ZJNDKTQCJLUMKN-UHFFFAOYSA-N	308.382	3.692	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CCCNc3ccccc32)cc1	774341849	OYLMNONEAMRDPN-UHFFFAOYSA-N	307.397	3.589	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(N(C)C)cc2)ccc1[N+](=O)[O-]	774560702	NGQKWJLWJDJXHN-GDNBJRDFSA-N	323.352	3.734	50	20	DHGD	
O=C(NNc1ncccn1)Nc1ccc2oc3ccccc3c2c1	775423267	VTZOFGLKJAFGSZ-UHFFFAOYSA-N	319.324	3.525	50	20	DHGD	
CSc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1C	775711406	HJOJKYFJFLDZHU-UHFFFAOYSA-N	312.398	3.737	50	20	DHGD	
N#C/C(=C\c1nc2c(s1)CCCC2)C(=O)Nc1ccccc1	776266474	RGNQGPCKVHTXSF-ZRDIBKRKSA-N	309.394	3.568	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(F)cc2)cnn1C1CCCCC1	781259854	FLARQUASHMAIHL-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)C1CCCC1	781555633	MOGDBYSMAASRBA-LCYFTJDESA-N	309.394	3.871	50	20	DHGD	
Cn1cc(Cl)cc1C(=O)NNc1cc(Cl)cc(Cl)c1	791715991	ACLBPJHNRUGURL-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@H](CC#N)c1ccccc1	793711085	CBNJRNWOTGBYAV-HNNXBMFYSA-N	311.360	3.665	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1C[C@H](c2ccccc2)C1	798024162	BBLSSSZRPOIMLT-MGPQQGTHSA-N	324.262	3.858	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NNc1cccnn1	803099360	RHHBPJJGCQDQDX-FVRSWCFKSA-N	316.449	3.552	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCC(F)(F)F	813088941	HJUVQLZQVWUONV-UHFFFAOYSA-N	303.328	3.697	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1CCO[C@@H](C)C1	813122162	GMPQRTKTMCAMQP-LSDHHAIUSA-N	319.449	3.560	50	20	DHGD	
CCCN(N=C(C)Cc1ccc(O)cc1)C(=O)OC(C)(C)C	814927414	NKBPHNAUOGBCOS-UHFFFAOYSA-N	306.406	3.958	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(Br)c(C)c1	815854484	DUYUCEACLKCKSN-UHFFFAOYSA-N	311.223	3.803	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc(N3CCCC3)c2)c(C)c1	830791472	JCCJIEVJNVNCLP-UHFFFAOYSA-N	323.440	3.969	50	20	DHGD	
CSCC1CCC(=NNC(=O)CCc2ccccc2)CC1	834953050	VMTLYPKIZSJMMD-UHFFFAOYSA-N	304.459	3.645	50	20	DHGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@H]1C	834958336	LKUPXPLFRWEVAW-RDTXWAMCSA-N	324.428	3.804	50	20	DHGD	
Cc1cc(NNC(=O)[C@H](C)C2CCC2)ccc1Br	837487328	FQYJKNAEFYFOTD-SNVBAGLBSA-N	311.223	3.637	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)C(=O)OC(C)(C)C	840461781	FTUYTDMHGUXTCI-ZDUSSCGKSA-N	320.433	3.539	50	20	DHGD	
Cc1cc(Br)c(/C=C(\C#N)C(=O)OC(C)C)s1	840712846	HBJHFQNKDPBVOU-WEVVVXLNSA-N	314.204	3.678	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1Cc1cnns1	844349364	LZSZYMUYBCRAOE-LBPRGKRZSA-N	313.543	3.524	50	20	DHGD	
CSCC1(CC(=O)NNc2ccc(Cl)cc2Cl)CC1	845855629	ZIPZLTUUOWWUHZ-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(F)cc2Cl)CC1	885137182	OJUMUDZEPFCZRY-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
C[C@@H]1CCCCN1NC(=O)CCCC[C@H]1CCSS1	912155839	ILRWFTYJHJWSAH-OLZOCXBDSA-N	302.509	3.606	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1ccc(OCC(C)C)cc1	914835246	FAVWBJLIUQFZBG-UHFFFAOYSA-N	302.418	3.752	50	20	DHGD	
CCOc1ccccc1C(C)=NNC(=O)Nc1ccccc1C	915971167	HHHPXJHBCVJYHF-UHFFFAOYSA-N	311.385	3.939	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1O	916131846	OKZZMGBZLODWDJ-ZROIWOOFSA-N	319.320	3.515	50	20	DHGD	
CCOC(=O)NN=C(C)c1ccccc1OCc1ccccc1	916268028	FFPDXYZPVKTMHV-UHFFFAOYSA-N	312.369	3.736	50	20	DHGD	
Cn1c(/C(C#N)=C\c2csc(C3CC3)n2)nc2ccccc21	920065275	XMRUOUMAACTWIU-WQLSENKSSA-N	306.394	3.971	50	20	DHGD	
CN(N=Cc1cc(Cl)cc(Cl)c1O)C(=O)OC(C)(C)C	920381010	IRTFRNTXQGHZRR-UHFFFAOYSA-N	319.188	3.900	50	20	DHGD	
C[C@@H]1COC2(CCCC2)CN1C(=O)c1cccc(CCl)c1	1120755696	DFQKSHRKVUFAQE-CYBMUJFWSA-N	307.821	3.599	50	20	DHGD	
CCS[C@H](C(=O)NNc1ccc(C)c(Cl)c1)C(C)C	1322390608	IVNMZSCCXYMMSI-ZDUSSCGKSA-N	300.855	3.869	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC[C@H](COc2ccccc2)C1	1346521211	UTMIFOSDLXDWBW-FHERZECASA-N	321.848	3.712	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(c2ccccn2)CC1	1528054743	MUVBUIAQOHHJIA-UHFFFAOYSA-N	306.837	3.585	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)[nH]2)cc1	1590472816	YNEYVFNZJVXGNB-RAXLEYEMSA-N	322.364	3.800	50	20	DHGD	
Cc1noc([C@H](C)OC(=O)CCCC[C@H]2CCSS2)n1	78824735	HQFJNJBLBHCYIB-ONGXEEELSA-N	316.448	3.696	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)Nc1ccc(F)cc1	102438041	ILJNJPVSYUMLOJ-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccc(F)cc2F)cc1	113432444	BWQNDDLLYSHNBC-LLVKDONJSA-N	304.340	3.774	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2cn(C)c3ccccc23)c1	124918198	UTYVHOAXQIDXPH-UHFFFAOYSA-N	307.397	3.563	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(OC(F)F)cc1	125493894	GFIHPAPZRVEHQL-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2F)c2ccc(F)cc2n1	152876113	PURDQFURPLMPOZ-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1ccc(C(F)(F)F)cc1	153818578	NAYHOSZKVIXEDT-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(F)cc(Cl)c2O)c1	159166237	YGULHAULRDRXCF-UHFFFAOYSA-N	308.740	3.558	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2ncccc2Cl)c1	172269811	QTDRXBHUPJNNRV-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1cc(F)cc(F)c1)c1ccccc1	179172526	UUHQWRINWRSPDK-CUTJPZLCSA-N	312.319	3.749	50	20	DHGD	
CCCn1ccc2ccc(NC(=O)NNc3ccccn3)cc21	180696167	ZOYBAGWKTSBSGP-UHFFFAOYSA-N	309.373	3.595	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2ccc3[nH]ccc3c2)c1	181481631	SNFWASZHBBXTCM-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cnn(Cc2ccc(F)cc2)c1	275560899	WLGMDKGWRMFMIU-MJOIQJIUSA-N	311.360	3.593	50	20	DHGD	
O=C(CCC1CCCC1)NNc1cc(C(F)(F)F)ccn1	295299202	JGGZOJZMLDOTFG-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cccc3c2OCCO3)ccc1[N+](=O)[O-]	299737420	KFFDSKVTPRXEED-GDNBJRDFSA-N	322.320	3.739	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1	491079765	BKXGRONQVBGRBP-AWEPDKKLSA-N	318.804	3.536	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc(C(F)F)c1	491086867	VMWUCFVKHHKVES-JYRVWZFOSA-N	314.291	3.875	50	20	DHGD	
COC(=O)N(C)N=C(C)c1sc(-c2ccccc2)nc1C	496329580	SQOQUQMDQANIER-UHFFFAOYSA-N	303.387	3.541	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1	731486127	OAKUWHRVKSYMMN-UHFFFAOYSA-N	320.723	3.800	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1nc(C)sc1C)c1ccccc1	731931059	BBHPENSLMLBGSH-OAHLLOKOSA-N	315.442	3.794	50	20	DHGD	
Cc1nn(C)c(Cl)c1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735620388	YVZJZSYAPKCICQ-YRNVUSSQSA-N	311.776	3.631	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNc1c(F)cccc1F	735692237	MOULDSDOTUOOHZ-GFCCVEGCSA-N	316.351	3.603	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	747690577	NYRRQXMAXFJRGR-JXAWBTAJSA-N	319.408	3.962	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1cccc(Br)c1	748020470	WKQOKUCBENRUFB-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c(F)c(F)cc(F)c2F)c1	748359973	YAAGDHGXTFZKGK-UHFFFAOYSA-N	312.266	3.617	50	20	DHGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1cc2c(s1)CCCCC2	751521114	LHADXBYTYMGMLC-ZDUSSCGKSA-N	320.458	3.549	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1Cl)C(F)(F)F	752810851	OASONCDPFWHNAL-YFKPBYRVSA-N	301.095	3.635	50	20	DHGD	
COc1ccc(C[C@H](C)C=NNC(=O)OC(C)(C)C)cc1F	758067852	KEJJOVCYWDCNJI-NSHDSACASA-N	310.369	3.523	50	20	DHGD	
CCOc1c(Cl)cc(/C=C(\C#N)c2ccncn2)cc1OC	758914654	HUSHLWPBUUQWEV-WUXMJOGZSA-N	315.760	3.601	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)C1Cc2ccccc2C1	762340834	SSOSGNBWUCQSPM-UHFFFAOYSA-N	321.207	3.852	50	20	DHGD	
N#C/C=C\CSc1nccn1-c1ccc(Br)cc1	763299562	WZYGMRPHLVLZLA-UPHRSURJSA-N	320.215	3.807	50	20	DHGD	
Cc1nc(C)c(COC(=O)[C@H](Br)C(C)(C)C)s1	766749290	CFOGTVQRWXRLNW-JTQLQIEISA-N	320.252	3.613	50	20	DHGD	
CC(C)CC1(CNC(=O)[C@@H](Br)C(C)(C)C)CC1	768254395	XCPLCKMCHAYMTF-LLVKDONJSA-N	304.272	3.739	50	20	DHGD	
CCCCn1cc(C(=O)NNc2c(C)cc(C)cc2C)c(C)n1	771422945	ZSIANMQJMQACLF-UHFFFAOYSA-N	314.433	3.674	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CC3(CCC3)C2)cc1OC	772840060	ZYWZMIGFTSVJCA-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1cccs1	773095411	SLCKOITZVNLCAH-NSHDSACASA-N	322.817	3.709	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cc3c(s2)CCCCCC3)CCO1	773188525	DOOHVOCKZOPCHX-GFCCVEGCSA-N	320.458	3.692	50	20	DHGD	
N#CSCCCNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	773594624	XFISDNUIADDOLS-IAGOWNOFSA-N	310.422	3.664	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)[C@@H](C)CC	777884703	RMIKKDMCNDNEMN-CVCOIXHCSA-N	301.773	3.874	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccccc2OC(F)(F)F)C1	779201433	ZAGPUZWPHUKUCR-WDEREUQCSA-N	316.323	3.855	50	20	DHGD	
CS[C@@H]1CC[C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C1	780834551	MTJUDNNPWHJALV-HUUCEWRRSA-N	321.490	3.894	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCCC1=CCCCC1	781070497	MNEVALRNEFTMHE-GFCCVEGCSA-N	302.256	3.803	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(SC(F)F)cc2)o1	781592878	MCDBJECKWXBNSK-UHFFFAOYSA-N	310.325	3.667	50	20	DHGD	
Cc1occc1-c1cc(NC(=O)NNc2ccccc2F)no1	786213948	GSHXNGFZUICCFW-UHFFFAOYSA-N	316.292	3.531	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cc(C)oc2C)cc1	787154995	OJDNVOBZZHCMPJ-VZWMTCDZSA-N	324.380	3.689	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1)C(=O)c1ccc2ncccc2c1	794885392	RGFBEQBWGUAJNZ-SXGWCWSVSA-N	300.317	3.730	50	20	DHGD	
C=C(CBr)COC(=O)/C=C/c1ccc2[nH]ccc2c1	795573010	CVYLEMVMPCLLJJ-HWKANZROSA-N	320.186	3.675	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccoc2C(=O)OC)cc1	797108578	YEJXWPCRGOIXMJ-WJDWOHSUSA-N	323.348	3.809	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2)ccc1OC(F)F	798229475	CMZIDJHQJXCEJE-SDQBBNPISA-N	319.263	3.679	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@@H]1CCC[C@H](C)C1	799756438	BAPUYYRNARLGKP-XJKSGUPXSA-N	304.434	3.596	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1nccc2ccccc12	799759395	OCFOLPJEROEPMD-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CSCc1ccc(CNC(=O)NNc2ccc(F)cc2)cc1	807537634	NZUZZUDIULZXIK-UHFFFAOYSA-N	319.405	3.515	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cncc(C(F)(F)F)c1	809730516	QMUOSPZYNWNBQI-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1cccnc1	811472466	HOBQZCPHOUZRJA-AWEZNQCLSA-N	304.821	3.940	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1c(C)noc1Cl	812769535	LURBQFMKIHERFN-UHFFFAOYSA-N	321.808	3.754	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=CCC(C)(C)SC	814789315	BYPRQXXNJARPDV-UHFFFAOYSA-N	314.838	3.596	50	20	DHGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)NNc1ccnc(F)c1	837521228	VHNWLODBEDKKRW-UHFFFAOYSA-N	321.783	3.586	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1=CCCC1	846378204	DCQPUQFBYXGVAM-UHFFFAOYSA-N	304.699	3.912	50	20	DHGD	
C[C@H](CC(=O)NNc1nc2ccc(Cl)cc2s1)C1CC1	856233809	BMMQMEFVAMVQMV-MRVPVSSYSA-N	309.822	3.829	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1cc(F)cc(F)c1	857082756	QQBHMXFECKBTOE-AQUOVQTQSA-N	304.178	3.789	50	20	DHGD	
CCc1oc2ccccc2c1CC(=O)NCCSSC	861575119	BMASANBJMZCJNX-UHFFFAOYSA-N	309.456	3.665	50	20	DHGD	
CN(C(=O)CCCC[C@@H]1CCSS1)c1ccc(N)cc1	877081148	VPBLSIYNFZYKRK-CQSZACIVSA-N	310.488	3.946	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccc(F)cc1Cl	885139115	WJPSOMNKJDQQOQ-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
C[C@@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1Br	907774650	ZTMHVTAHAUHCID-JOYOIKCWSA-N	315.236	3.523	50	20	DHGD	
Cc1cc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)co1	912582088	LDRNTPKGWSJHQJ-AWEZNQCLSA-N	309.482	3.824	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCC[C@H](C)C2)c1C	916336828	PQBCVJBGPRTQJJ-SWLSCSKDSA-N	302.418	3.753	50	20	DHGD	
Cc1cc(NNC(=O)c2cnn(C(C)(C)C)c2C)ccc1Cl	928341863	JNVCPUHMKCEJHC-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)C1CCC(Cl)CC1	1123753808	ANLDTPWVOHCUCO-NEXFUWMNSA-N	311.853	3.534	50	20	DHGD	
CCc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1	1317810385	KHUQDACESRHKME-PTNGSMBKSA-N	300.365	3.839	50	20	DHGD	
CCC[C@H](C=NNC(=O)c1ccc(OC)cc1)c1ccccc1	1319714669	CTPHLJDOMGVDEI-QGZVFWFLSA-N	310.397	3.995	50	20	DHGD	
CN(CCC#N)c1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	55040662	DQESWQVWRIXCHC-LFIBNONCSA-N	321.405	3.888	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)n(-c3ccccn3)c2C)c1	78934693	CNIYFVYWQOMDLO-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
COc1ccc(C[C@H](C)C(=O)NNc2ccc(Cl)cc2)cc1	89520958	FNCLTBSEARZQLA-LBPRGKRZSA-N	318.804	3.671	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)o1	128684839	HJCGTAUYWKFIFW-UHFFFAOYSA-N	302.227	3.503	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1c(C)cc(C)cc1C	129387705	TUTWCYUKBYSVAA-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2sc(C)nc2CC(C)C)c1	150791795	ZJTJSNZUSMBGJA-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
I[C@@H]1CCCC[C@@H]1OCC1CCCC1	158496416	KIVWHCQSIPUXQO-NEPJUHHUSA-N	308.203	3.939	50	20	DHGD	
CCn1nccc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	178865058	IOMXOUNJHOGZBS-NTCAYCPXSA-N	307.397	3.990	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnc(-c2ccco2)s1	179008001	RCGQEBZGBJGBJU-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	179039965	ZFFZXXIESJTCIL-VAWYXSNFSA-N	318.323	3.835	50	20	DHGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3cccnn3)o2)c1	180568044	YNOJCGOXPQGZBZ-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])s1	180711160	LKBBIHHEMVVRIN-RMKNXTFCSA-N	304.352	3.816	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(Cl)c(F)c2)CCO1	184110076	BYWPKPJHCOCLQM-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc2cccc(C(=O)NNc3c(C)cccc3F)c2n1	184363624	IMFVUVSOGOCMPB-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc3ccccc3o2)c1	192538466	MITSOHVXLFSJKS-UVTDQMKNSA-N	318.332	3.987	50	20	DHGD	
COCCOc1ccccc1/C=C(/C#N)c1nc2ccccc2[nH]1	255053566	KFELZJNVUJSDSH-QINSGFPZSA-N	319.364	3.652	50	20	DHGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)[C@H]1CCCOC1	281272203	XACFTSHVVWODNL-OXBCTQFSSA-N	323.364	3.904	50	20	DHGD	
Cc1cc(C=NNC(=O)CC(C)(C)C)cc(C)c1OC(F)F	728428908	MPTIUVJLOSTPMH-UHFFFAOYSA-N	312.360	3.791	50	20	DHGD	
C=C1CCN(C(=O)/C(C#N)=C\c2cc(C)n(CCC)c2C)CC1	731052456	RQBHQIUPDVEBTB-PDGQHHTCSA-N	311.429	3.601	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)C(C)(C)c2ccccc2)c1	731150232	CZKBLYNGFSNBBA-UHFFFAOYSA-N	310.397	3.513	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNc1nc(C)cc(C)n1	733253241	XQDQSTSVIPKGET-OAHLLOKOSA-N	304.438	3.533	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cccc(C)c1C	734297651	RHKSQHDOLMODAU-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
Cc1ccc(F)c(C=NNC(=O)Cc2ccc3ccccc3c2)c1	734980412	SCAQNPORHVFFAF-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1nc(-c2ccccc2)no1	735273561	WLJSDURSBBMSFL-ZDUSSCGKSA-N	316.405	3.786	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2c(F)cccc2F)o1	735701592	YAIOPURPIVMJGY-PWSUYJOCSA-N	320.339	3.757	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1c(F)cccc1F	740085389	CSVHYKWODHHQKA-AWEZNQCLSA-N	318.367	3.923	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(Cl)cc1)c1ccccn1	741451081	KMEVXDOUJYFZOM-CQSZACIVSA-N	313.788	3.789	50	20	DHGD	
CCOc1cccc(C(C)=NNC(=O)c2ccc(CC)cc2)c1	743526919	YMYOBKHEYBSYIJ-UHFFFAOYSA-N	310.397	3.802	50	20	DHGD	
CCC(=NNC(=O)c1cn(C)c2ccccc12)c1cccs1	744781602	ANELUSCXERVBFV-UHFFFAOYSA-N	311.410	3.784	50	20	DHGD	
Cc1cc(OC(=O)c2csc(CC(C)C)n2)ccc1[N+](=O)[O-]	745753130	DVOZWQWUMPWEBY-UHFFFAOYSA-N	320.370	3.777	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc2cc(O)ccc2c1	748779220	YIAUNNIVIGPBEM-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
Cc1ccc(CN(C)/C(=C/C#N)c2cccc([N+](=O)[O-])c2)s1	750043571	JBIQNNQDGKSGCL-LZYBPNLTSA-N	313.382	3.961	50	20	DHGD	
COc1ccc(CN(C)/C(=C\C#N)c2ccc(F)cc2)cc1F	750600126	TXIDVWDSIOMLSY-MFOYZWKCSA-N	314.335	3.970	50	20	DHGD	
CC(C)C(=O)NN=Cc1cccc(OCc2ccc(F)cc2)c1	766688798	YTWYPOIPKKBVSW-UHFFFAOYSA-N	314.360	3.511	50	20	DHGD	
CC(C)C[C@@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	767931755	UOBOMUJJCZNPSQ-RYUDHWBXSA-N	304.272	3.833	50	20	DHGD	
CS[C@@H](CNC(=O)[C@@H](Br)C(C)(C)C)C(C)(C)C	768448270	LAHORWOSICJNHT-VHSXEESVSA-N	324.328	3.690	50	20	DHGD	
COc1cccc(C)c1NC(=O)[C@@H](Br)C(C)(C)C	768672883	ZAGIZHNJYZBUGT-GFCCVEGCSA-N	314.223	3.752	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCSc2ccccc21	771697759	FNZZIPJCCYCTHU-ZDUSSCGKSA-N	316.401	3.857	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC[C@@H](C)C2)cc1	775169329	HYGWJFHTPYTHOA-YHZJOHHESA-N	312.413	3.641	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(F)c2)nn1C1CCCCC1	776490458	HCOHWHJBTGZENW-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
CCC[C@@]1(C)CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	776667073	YFLXHHYFMIRFPG-BAILOTOSSA-N	312.413	3.728	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)/C=C/c1scnc1C	776757385	NDLXIZHCDCWAHL-SNAWJCMRSA-N	318.354	3.595	50	20	DHGD	
COc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc1F	781076155	OYBYPUCPIAYFTG-LLVKDONJSA-N	318.186	3.582	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C[C@H]1CCCC[C@H]1C	783813225	JZWWNYAQHSDELF-HZSPNIEDSA-N	306.381	3.521	50	20	DHGD	
Cc1cccc(-c2nnc([C@H](C)OC(=O)/C(C#N)=C/C3CC3)o2)c1	786667611	ABCLJNIFGIXYFV-DGGAMASNSA-N	323.352	3.509	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1ccc(Cl)cc1Cl	786672966	CTCQQNOVTRDFMK-YHYXMXQVSA-N	324.163	3.579	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)[C@@H](F)CC1CCCCC1	793707498	XVNZDZKTYUOYBB-NSHDSACASA-N	318.314	3.856	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(Cl)cc1	794779363	ITCWASICXDKQPB-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
COc1cccc(CCC(=O)NNc2cccc(Cl)c2)c1F	795021538	RWSOGGFRTDHCIU-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](CC)CC(F)(F)F	799622511	NVXQIIGLTFLOGQ-GFCCVEGCSA-N	317.355	3.915	50	20	DHGD	
CSSCCNC(=O)N1CCCC[C@@H]1Cc1ccccc1	807225515	LJEHCJUWVRTBCO-OAHLLOKOSA-N	324.515	3.804	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCC(C)(C)CCC#N)c(C)c1	807593731	YJSNBXPCFBDJPF-UHFFFAOYSA-N	302.422	3.568	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(F)CCCCC1	810666783	UUQNWCBEOHKWMP-UHFFFAOYSA-N	304.287	3.821	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)Nc1nc(C2CCC2)cs1	823224038	FOQRIDKPJRWBFY-UHFFFAOYSA-N	323.809	3.608	50	20	DHGD	
O=S(=O)(CCl)N1CCCCC[C@@H]1c1ccc(Cl)cc1	830549739	OTBMQYQTFHAQBS-CYBMUJFWSA-N	322.257	3.783	50	20	DHGD	
CO[C@@H](C=NNC(=O)c1c(Cl)cccc1Cl)CC(C)C	841627666	YMBTYTXOUROTST-SNVBAGLBSA-N	317.216	3.770	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccnc(Cl)c1	852002706	CWTCOOHPGOQJRU-PTOFAABTSA-N	303.631	3.559	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1C1=CCCCC1)c1cccc(F)n1	853442650	AMGLWUYOBBSYOY-CQSZACIVSA-N	315.392	3.997	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCC[C@H]1c1ccccc1	856092059	NCATZGOUSYTWKH-GJZGRUSLSA-N	315.804	3.762	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)cc1C	856810896	AMRJQXUJUQKXJK-GXTWGEPZSA-N	311.223	3.598	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCc2cnccn2)C1	878707311	RKSHLHNYXXRIFT-INIZCTEOSA-N	321.541	3.505	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(F)cc1Cl)c1cccnc1	885137241	QMCFVHMLYKZGHO-HNNXBMFYSA-N	321.783	3.757	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](c2ccncc2)C2CC2)c(C)c1	899015597	UEHMFDFIUPSOIQ-GOSISDBHSA-N	324.428	3.784	50	20	DHGD	
C[C@]1(C(=O)Nc2cccc3ccc(O)cc23)C[C@H]1Br	907088634	XEGAWXZTGJJDTG-HIFRSBDPSA-N	320.186	3.657	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc2cccc(C)c2nc1Cl	915974436	LDYBYRIWQJFPHS-JTQLQIEISA-N	303.793	3.693	50	20	DHGD	
CC(C)CO[C@@H](C)C(=O)NN(c1ccccc1)c1ccccc1	917529112	PWQGVONXPMVFNP-INIZCTEOSA-N	312.413	3.917	50	20	DHGD	
CC(C)(C)OCc1ccccc1NC(=O)NNc1ccccn1	932537629	BJSFTOLIYDOJLU-UHFFFAOYSA-N	314.389	3.545	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1C	1318595046	LMFRROKKBVSZCF-UVTDQMKNSA-N	316.364	3.593	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)CCCC(C)(C)C)c1ccccc1	110342564	KQJZQMZQXSBPOH-OAHLLOKOSA-N	304.434	3.544	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)NC(C)C)o1	114991192	HXPIUSJLTNBKGQ-UKTHLTGXSA-N	312.344	3.826	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2C[C@H]2c2sccc2C)c1	127776899	JJPNVFDIUZNPOX-NEPJUHHUSA-N	304.390	3.751	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1ccncc1	153728835	TYGOJCSSQBBKEC-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
C=CCC[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1	154781532	CFRMTRJSIDZQLA-OAHLLOKOSA-N	315.866	3.632	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	160830673	VTIILURQCKSGCV-NEPJUHHUSA-N	318.314	3.946	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccccc1OCCOC	176676496	UZZGGDBLACEDKC-FOWTUZBSSA-N	301.386	3.624	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2cccc3cnccc23)c1	178522323	IIBAMHFJIDJPRR-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	205667736	MKNNFXUUEKECEX-QPEQYQDCSA-N	302.330	3.577	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)NCCc2ccccc2)o1	211977891	VHKDHHODUDUJOI-SOUSCNASSA-N	320.392	3.669	50	20	DHGD	
CCC[C@H](CC)NS(=O)(=O)c1ccc(CCCCl)cc1	726975213	YZHKLRXIBRRXJA-AWEZNQCLSA-N	317.882	3.715	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1cnn(-c2ccccc2)c1	733075962	DLXKDOPBGSVCBF-UHFFFAOYSA-N	312.417	3.948	50	20	DHGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)c2ccc(C#N)cc2)cc1	741839437	HJASRFSDIUZVJZ-SFHVURJKSA-N	317.392	3.920	50	20	DHGD	
CCCc1ncc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)s1	741898330	ZVCBZTGWACMAHT-UHFFFAOYSA-N	320.370	3.840	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NNc2c(C)cc(C)cc2C)c1	743764497	PBVGKXHBUYOGAF-UHFFFAOYSA-N	312.413	3.751	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)c1nc2ccccc2n1C	747089501	FVXKEOIWPDNKJS-RVDMUPIBSA-N	303.365	3.955	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(O)c1C	747597630	CAAIQAIXNXUOPW-UHFFFAOYSA-N	324.302	3.785	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccccc1C1CC1	751132454	DXFCZKOCBKVZQD-UHFFFAOYSA-N	317.392	3.669	50	20	DHGD	
CC(C)Oc1c(F)cc(NC(=O)NNc2ccccc2)cc1F	752879173	WKEWYCWLDAVIQH-UHFFFAOYSA-N	321.327	3.901	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cccc([C@H]2CCOC2)c1	761242346	AVEWNQDTTGHNMP-AWEZNQCLSA-N	316.788	3.601	50	20	DHGD	
C[C@H]1c2ccc(F)cc2CCN1C[C@@H](C)CBr	770654189	PYCYLOIUXUUZKC-QWRGUYRKSA-N	300.215	3.776	50	20	DHGD	
COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1C	773055579	QQPPFVPDDPHZRI-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccccc1OC(F)(F)F	779208790	NDHOUFODBDBULP-QWRGUYRKSA-N	316.323	3.855	50	20	DHGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccccc1F	779757314	CDNHREUEBWSPKG-UHFFFAOYSA-N	324.311	3.975	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cn1	780148429	ROKHKPBDTMOYJC-RIYZIHGNSA-N	304.305	3.626	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1c(Cl)ccc2cccnc12	781123090	VLJRONMAXLKLMH-UHFFFAOYSA-N	315.804	3.919	50	20	DHGD	
CCc1ccccc1COC(=O)/C(C#N)=C\c1cccc(OC)c1	782241834	OCYOKTYELDTDJH-WQRHYEAKSA-N	321.376	3.908	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2[nH]1)C12CC3CC(CC(C3)C1)C2	788413941	FAAUOUJTWOIFLL-UHFFFAOYSA-N	321.424	3.834	50	20	DHGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1C#N	799496970	BPWFIDGQXOCLJS-PXNMLYILSA-N	319.320	3.848	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@@H]1CCCF	800808043	LWLRWMOOZFRHQT-CHWSQXEVSA-N	324.371	3.615	50	20	DHGD	
CC[C@](C)(C#N)C(=O)NNc1c(Cl)cc(F)cc1Cl	802965587	JLKMTFGLHCJHTA-GFCCVEGCSA-N	304.152	3.515	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1csc(-c2ccccc2F)n1	812225619	KYADJUOMXURIQD-UHFFFAOYSA-N	317.389	3.590	50	20	DHGD	
CCC[C@H](CC)NC(=O)/C(C#N)=C/c1ccc(OCC)cc1	813428307	VUDUGURDJJRAKZ-STTHAQSSSA-N	300.402	3.687	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNc2cccc(Cl)n2)c1	814297738	LJYHWOJSEULWSF-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
COc1cc(C(=O)NN=C2CC(C)C2)ccc1OCCC(C)C	814755853	JFZJVHOAFQHUGD-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CC[C@@H]2CNc3cccc1c32	814806445	BDSDGUIXSMFCSD-CYBMUJFWSA-N	320.396	3.824	50	20	DHGD	
CCOc1ccc(NNC(=O)CO[C@H]2CCCC[C@H]2CC)cc1	817885670	JAJDMYLBQFEWIS-PBHICJAKSA-N	320.433	3.514	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CC1(F)F	822142531	QSMYSCDFEAOHCB-RXMQYKEDSA-N	315.534	3.745	50	20	DHGD	
C[C@H](NC(=O)NNc1cccc(Cl)c1Cl)C(F)(F)F	824397574	UKSOFGLMWDKPPL-YFKPBYRVSA-N	316.110	3.570	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cnn(C(C)(C)C)c1C	836933561	GLZUVXCSHZDTBI-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cnc2ccc(F)cc2c1=O	840191605	FGMUTCNKRXUFRV-UHFFFAOYSA-N	322.456	3.557	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1cc(C)cc(C)c1)CCC2	847601861	JSJROLWOTAURJW-SFHVURJKSA-N	324.424	3.875	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccnn2CC2CC2)c1	849178222	GISMMVMLNFXVMI-YVLHZVERSA-N	305.381	3.700	50	20	DHGD	
Cc1ccc2cc(CNC[C@@]3(C)C[C@@H]3Br)ccc2n1	856810321	XDQIFOSYYLIOOA-JKSUJKDBSA-N	319.246	3.806	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NC[C@]1(C)C[C@@H]1Br	857392858	HALFGMFQIJZGPV-AAEUAGOBSA-N	316.626	3.552	50	20	DHGD	
N#C/C(=C\c1ccsc1C(F)(F)F)C(=O)[C@H]1CCCOC1	863190275	QKBSLEWHJYEWPO-OTXQMUPVSA-N	315.316	3.670	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)cc2F)C1	885106689	FSVXQTCYJNWXJX-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@]2(C)C[C@@H]2Br)C1	906227432	SFRUBFBTPKCSOJ-AZHAFVHUSA-N	314.267	3.587	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Oc2ccccc2Cl)c1	913727203	RSTIYSOWWUHPMA-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccc2ccccc2n1	916244289	QSJPFQBBNJDRLX-FPCVCCKLSA-N	319.408	3.777	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C)o1	916308257	BAOHQUOWTMIARD-UHFFFAOYSA-N	300.402	3.645	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cccc(OC2CCCC2)c1	917531311	IJALAUJGZCPBKI-UHFFFAOYSA-N	304.390	3.867	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)c(C)c1)c1ccncc1	920178607	PUKFCIRVSOSCDF-OAHLLOKOSA-N	318.808	3.821	50	20	DHGD	
C[C@@H](c1ncccn1)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	931001095	UTPOEKSWKLGESW-UONOGXRCSA-N	307.514	3.634	50	20	DHGD	
CC(C)(C)OCc1cccc(NC(=O)NCC(Cl)Cl)c1	933200337	PDKADADZIXNLRU-UHFFFAOYSA-N	319.232	3.927	50	20	DHGD	
CCSc1cccc(C=NNC(=O)c2ccc(OC)cc2)c1	1320616878	JJVAMBSHEYPMOH-UHFFFAOYSA-N	314.410	3.571	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1ccccc1C(=O)O)C(C)C	1605253879	KHGAVEJZISCGHZ-CYBMUJFWSA-N	306.406	3.680	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1csc(-c2ccc(F)cc2)n1	17699659	AHGUHPCSYGYFBN-XYOKQWHBSA-N	314.341	3.585	50	20	DHGD	
CCCN(CCC)S(=O)(=O)c1ccc(CCCCl)cc1	20191066	FIAUMPSJMXEKII-UHFFFAOYSA-N	317.882	3.669	50	20	DHGD	
CN(Cc1nccs1)C(=O)CCCC[C@H]1CCSS1	74548199	MKFCIYJUZBGNBW-NSHDSACASA-N	316.517	3.816	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1c(O)cc(Cl)cc1Cl	120003486	QLTSMTHUGMGLNR-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(F)c1F	120152385	LRIWADSIWIKZHC-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
N#C/C(=C/c1nccn1CC(F)(F)F)C(=O)C1CCCCC1	130185140	GJGMMIVYAZLIIK-WQLSENKSSA-N	311.307	3.502	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1ccncc1Cl	132812106	KOXWQJBQRVLTST-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccccc3Cl)ccc2n1	158464808	UFONFESRAIMHMB-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	171093708	FRIQTHHYOYNASM-SDNWHVSQSA-N	323.352	3.908	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1cccc2cnccc12	178515612	FGVSJMKSUDAXCL-LSDHHAIUSA-N	323.421	3.852	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(Cl)cc1Br	178987012	PREXTTIOKFIXMN-WEVVVXLNSA-N	314.566	3.573	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1	252635046	WTWJEWRNXIOLPC-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1	588597628	RBUICVRIRPIUIL-AUWJEWJLSA-N	312.319	3.821	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)COc1ccc(OC)cc1	727253444	BYZZLYYTSPEZNW-AWEZNQCLSA-N	318.417	3.537	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)CNc1ccccc1OC	727254294	PDSRHSRLRZXFFL-CQSZACIVSA-N	317.433	3.570	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC[C@@H]2C)c(C)n1-c1ccccc1	729140773	MEOXKQWLGZZPCA-ZDUSSCGKSA-N	309.413	4.000	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	730464568	UCLMCCVYAIEYSD-GHRIWEEISA-N	307.349	3.502	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2cccc3ncccc23)c1C	731153394	KGSPBCCYRIJUSE-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1ccccc1C(F)(F)F	731316701	HDGHLGFOFSWDLK-UHFFFAOYSA-N	324.277	3.537	50	20	DHGD	
CC[C@@H](C(=O)NN=CC1=Cc2ccccc2OC1)c1ccccc1	731930806	MXYRISZOKVFLOZ-GOSISDBHSA-N	320.392	3.758	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1OC)c1cc(F)ccc1F	743441934	OKLPPCPVLRJXLQ-UHFFFAOYSA-N	318.323	3.518	50	20	DHGD	
CCC[C@@H](CC)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	744305592	DNUWNFHSJPSTLF-OAHLLOKOSA-N	319.449	3.507	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCC(C2CC2)C2CC2)c(C)c1	745907550	AUKXYQLKCKRKGY-UHFFFAOYSA-N	301.434	3.674	50	20	DHGD	
O=C(NNc1cccc(Br)c1)C(F)=C1CCCC1	748030358	QTKUEXSRFYCORN-UHFFFAOYSA-N	313.170	3.690	50	20	DHGD	
CC(C)C[C@H](C(=O)NNc1cccc(C#N)c1)c1ccccc1	748046258	YXKQVXCOJHRZBI-SFHVURJKSA-N	307.397	3.831	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1ccc(F)cc1Br	748081348	VRFXZWAWWKJMRK-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1cccc(OC(F)F)c1	749449657	IXIZQTREZBWKNE-UHFFFAOYSA-N	310.344	3.709	50	20	DHGD	
CCc1ocnc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757422160	NFUUOAXUTHJRLA-UHFFFAOYSA-N	312.281	3.518	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)CCc2cccc(F)c2)c1	760141278	KTGCBUOBZILANK-CYBMUJFWSA-N	318.367	3.985	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NNc1c(F)cccc1Cl	770197401	NIVCQDMLDKUVSL-UHFFFAOYSA-N	317.751	3.577	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cc2ccsc2[nH]1	770300054	RULBSSMWPOSIRW-UHFFFAOYSA-N	309.753	3.779	50	20	DHGD	
C[C@@H](Cc1ccco1)NC(=O)NNc1ccc(C(C)(C)C)cc1	780818430	JDJMJBBHZBMVMJ-ZDUSSCGKSA-N	315.417	3.834	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCCCSCc1ccccc1	786676951	FABFPSJAMMHEEY-LFIBNONCSA-N	301.411	3.713	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)c3cnc4ccccc4n3)cn2c1	789146616	AOLHCFJUCMZVCF-ZSOIEALJSA-N	311.348	3.650	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cccc3c2CCCC3)cc1C=O	793712000	PMBIMOFBEKHQBW-UHFFFAOYSA-N	322.408	3.752	50	20	DHGD	
O=C(NN=C1CCC2(CCCCC2)CC1)c1ccc(O)c(O)c1	794557689	KCPQWIRJLPPALX-UHFFFAOYSA-N	316.401	3.708	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2	794879566	SGNOHGDIMXXUBK-VZUCSPMQSA-N	305.761	3.981	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCC[C@@H]1c1ccccn1	794894070	CLSRTUOTSKYQDS-CQSZACIVSA-N	308.385	3.835	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](CC)c1ccc(F)cc1	795591236	KSZLDZZUMKDMGW-CYBMUJFWSA-N	315.182	3.814	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1OC	798229924	JFJSOVQIBRIZIE-OQLLNIDSSA-N	311.337	3.867	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCC(C(F)F)CC2)c1	799468400	IRKXFPTXSXDDKT-UHFFFAOYSA-N	324.371	3.610	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCCOc1ccccc1	799757797	KBZUBMPAQDIJML-UHFFFAOYSA-N	312.413	3.860	50	20	DHGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)c2ccoc2)c1	806557256	POVHKRXDKMTFEC-NTUHNPAUSA-N	303.264	3.979	50	20	DHGD	
CON(Cc1ccccc1Cl)C[C@H](C)CBr	810139664	UPSXCASTVCVMFS-SNVBAGLBSA-N	306.631	3.734	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1ncccc1Cl	810406221	YGCGYUFWAYCXEV-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cccc3cnccc23)s1	810687238	KPGPQIAUMJAHLP-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
CO[C@@H](C(=O)NNc1c(C)cccc1C(C)C)c1ccccc1	812766559	RQISLGYRJAPCBV-GOSISDBHSA-N	312.413	3.949	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)(C)C)n[nH]1	812769329	BLZKDBZDBWGULI-UHFFFAOYSA-N	314.433	3.896	50	20	DHGD	
CC(C)[C@H](NCCO[Si](C)(C)C(C)(C)C)C1(CO)CCC1	815254012	DLOGIRHQQVCFMK-HNNXBMFYSA-N	315.574	3.785	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1Cc2ccccc2S1	821693450	XAQZAJXVZZGHPK-CQSZACIVSA-N	304.802	3.500	50	20	DHGD	
N#CC[C@@H]1CCCN(Cc2ccc(OCCCCl)cc2)C1	826861870	LZBFXSBFNMDUEJ-HNNXBMFYSA-N	306.837	3.820	50	20	DHGD	
C[C@@H]1CC2(CCOCC2)CN1/C(=C\C#N)c1ccc(F)cc1	830603296	NRUHZMTZTMNRFO-BLKYOUMYSA-N	300.377	3.581	50	20	DHGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@H]1C	834914243	NNMSWSVRTOGJQS-IAQYHMDHSA-N	303.362	3.527	50	20	DHGD	
CCC[C@@H](OC)C(=O)NNc1ccccc1Cc1ccccc1	846460944	HJRIFFUOXUUVNA-GOSISDBHSA-N	312.413	3.536	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2c[nH]c3ccccc23)cc1C	916287642	IQEDJHVHYDVIGZ-UHFFFAOYSA-N	305.381	3.857	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1c(C)cc(Cl)cc1C)C(C)C	916342256	ZMIDCIGRRBSJAM-ZDUSSCGKSA-N	310.825	3.872	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)CCSc2ccc(F)cc2)C1	916346011	KXOFOOQEVQKIAR-GFCCVEGCSA-N	308.422	3.990	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(N)cc1	916661166	OOZHXXXXDMYWJX-UHFFFAOYSA-N	317.392	3.505	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)c2ccccc2Cl)c1	1115903170	XCJIEXVUCGBNDN-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2C=CCCC2)c1C	1252867938	ANDDEFANKQMKFG-XUDLPTGHSA-N	311.429	3.647	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1ccc(Cl)cc1	1319604764	XMGDCYARQNEUBK-UHFFFAOYSA-N	304.777	3.641	50	20	DHGD	
CC(F)(F)C1(C(=O)NNc2cc(Cl)ccc2Cl)CC1	1328639649	XZUYNZCAPSPFCV-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(C)c(C(=O)O)c1)c1ccccc1C	1602954207	YZJIKVIQONZJTN-GXDHUFHOSA-N	324.380	3.548	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C/C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	1776131118	IFHYNEKLZSYHEU-BOHWWTNISA-N	320.304	3.757	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(C(=O)O)c(O)c2)n1	1776381068	ACSMLWDUMQMUSB-WZUFQYTHSA-N	314.366	3.734	50	20	DHGD	
N#C/C(=C\c1cc2ccccc2o1)c1nnc2n1CCCCC2	11288354	LFHUYGLBHVEPEF-SDNWHVSQSA-N	304.353	3.815	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])C(=O)c1ccccc1	33594653	IOLBPLLWDJBTJM-FAIWILQLSA-N	304.305	3.941	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cnn(Cc3ccccc3)c2)n1	96919854	XOSCHNDCYPDCMJ-APSNUPSMSA-N	306.394	3.761	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccc(F)cc3C)ccc2n1	118987136	NUPRVCKUODCINC-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCCN(C2CCCC2)CC1	175451753	ZNHPISPFUJDWBQ-GRSHGNNSSA-N	313.420	3.640	50	20	DHGD	
N#Cc1ccccc1/C=C/C(=O)NNc1ccc(Cl)c(F)c1	178564717	DSHRIIGGLQOTML-VMPITWQZSA-N	315.735	3.507	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@@H](C)c1ccccc1F	184310376	KDANKLKKZHZTCH-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccn2Cc2cccs2)c1	194143979	SCYVKQNENXIHNR-UHFFFAOYSA-N	311.410	3.663	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	195172492	BPFZYZYNFGQLAR-KPKJPENVSA-N	320.352	3.721	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(Cl)s1	195369726	BBKJIGXBQIRXPH-UHFFFAOYSA-N	313.718	3.538	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	255086244	BTGATBLFBLJTOZ-JYRVWZFOSA-N	305.337	3.871	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)NC1CCSCC1	268089699	ZZQCUKQVYJVGJD-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1	272885279	WDZICJYOWAGYLQ-DOTOQJQBSA-N	304.434	3.588	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2c(F)cccc2Cl)CCO1	274512094	UWIVQDNXYLCGHB-WDEREUQCSA-N	314.788	3.518	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc2c(O)nccc2c1	285764179	RGSXPUPRBBUZFJ-CYBMUJFWSA-N	315.417	3.990	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc2C1)NNc1cccc(Cl)c1	732550997	ZLZZRBKRKFWHQZ-ZDUSSCGKSA-N	314.816	3.978	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1nccc2ccccc12	740764581	YSTBQXJMLCWWJQ-NCEZTRIPSA-N	319.408	3.837	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1C#N	741853197	TXXDNHGRJJSUEK-XNTDXEJSSA-N	314.348	3.518	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(COC(C)(C)C)c1C	747436395	BWVCPVRGFMCLEG-RVDMUPIBSA-N	316.401	3.693	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccnc(Oc2ccccc2)c1	748057332	QYPLTHBXMGEWOM-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCOc1cccc(Cl)c1	748561610	WSEREHZTBQFWEB-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
C[C@H](Cc1ccncc1)NC(=O)CCCC[C@H]1CCSS1	749488870	LUDNNMRIFKTZME-HIFRSBDPSA-N	324.515	3.843	50	20	DHGD	
Cc1cc(C)cc(CCNC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	752437164	CGYIKEIVBBROCI-LDADJPATSA-N	322.383	3.708	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1Cc2ccccc21	752808276	SDJUBQHFNNCOSR-LBPRGKRZSA-N	307.180	3.776	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2sccc2OC)cc1	764413298	ZTCARVOOAMTNNW-JLHYYAGUSA-N	312.394	3.865	50	20	DHGD	
C[C@](O)(C1CCN(/C(=C\C#N)c2ccccc2)CC1)C(F)(F)F	767912657	IGNFORLRSUFGAP-UJPCXNRSSA-N	324.346	3.576	50	20	DHGD	
Cc1cnccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	770010954	QLRANNVYIMIZFX-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1ccc(C(F)(F)F)cn1	775255228	KUGCXVUIBPEJEV-SNVBAGLBSA-N	303.328	3.760	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(\C#N)c1nc2cc(F)ccc2s1	780152876	HXKXJLOOPDQUBM-XBXARRHUSA-N	318.764	3.886	50	20	DHGD	
CC(C)[C@@H]1CCC[C@H](NS(=O)(=O)CCCCCl)CC1	780847721	HZHZAKZFLZUEPE-KGLIPLIRSA-N	309.903	3.530	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cn1	790099340	FKCISBVOHHPOIG-XNTDXEJSSA-N	317.396	3.787	50	20	DHGD	
COc1cc(NNC(=O)c2cccc(Cl)c2)ccc1Cl	790172576	XDTCNKUQHNUZJP-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
O=C(CCCC1CCCC1)NNC(=O)Nc1ccc(Cl)cc1	802019608	OESQSNAXFQZHRL-UHFFFAOYSA-N	323.824	3.853	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)cc1	806787893	OTNBRPPMYGZGQW-IAOVAPTHSA-N	302.418	3.745	50	20	DHGD	
FC(F)C(F)(F)CNCc1ccc(OCCCCl)cc1	811495029	AFKRAWJEOFIZJY-UHFFFAOYSA-N	313.722	3.684	50	20	DHGD	
CCCC(=NNC(=O)[C@H](CC)c1ccccc1)c1cccnc1	814844859	BVDQMDCSPVZOMW-QGZVFWFLSA-N	309.413	3.896	50	20	DHGD	
CC1(C)CN(/C(=C\C#N)c2ccccc2)C[C@](C)(C(F)(F)F)O1	815148386	VCIJYDWPFPLFBK-IHWMJMDHSA-N	324.346	3.983	50	20	DHGD	
CCOc1ccc(NNC(=O)CC(C)(C)c2ccccc2)cc1	817882230	FFCYOGRNAUWDKN-UHFFFAOYSA-N	312.413	3.896	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	819414789	RHJOZLZHMHLYQZ-UHFFFAOYSA-N	311.307	3.622	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCc3cc(F)ccc32)c(C)c1	830791123	BCFONKHBOXNTEE-QGZVFWFLSA-N	312.388	3.924	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CC[C@H]1CC1(Cl)Cl	832364078	VXTFHLNZDPWNRB-VIFPVBQESA-N	305.180	3.551	50	20	DHGD	
CNc1cc(C(=O)NNc2ccc(C(C)C)cc2)cc(Cl)n1	837053218	ALPAALXFUOARBY-UHFFFAOYSA-N	318.808	3.657	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cn1	837056043	RETMMCIHMVSXDF-UHFFFAOYSA-N	313.401	3.749	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1cccc(Cl)c1Cl)C(C)C	838349882	RZIMVVBCXOSLBN-LBPRGKRZSA-N	319.232	3.888	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@H](C)CC(F)(F)F	840435760	KGIHLGQGJMXZGP-SNVBAGLBSA-N	317.355	3.772	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc2c(c1)CCN2	841275771	IHMKEASQXCXJMA-UHFFFAOYSA-N	310.401	3.674	50	20	DHGD	
CCc1noc([C@H](C)N(C)CCO[Si](C)(C)C(C)(C)C)n1	844346413	NGTJMUKTEUSLCV-LBPRGKRZSA-N	313.518	3.647	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CC1CCOCC1	844347511	JIJAKDFKBJTJBQ-INIZCTEOSA-N	313.558	3.899	50	20	DHGD	
COC1(CC(=O)NNc2ccccc2Cc2ccccc2)CCC1	846461815	PHIVIJFHZFBQGN-UHFFFAOYSA-N	324.424	3.680	50	20	DHGD	
CC[C@@H]1CC[C@@H](C(=O)NNc2ccccc2Cc2ccccc2)O1	846464277	LNBCHNIHMLWWAC-MJGOQNOKSA-N	324.424	3.678	50	20	DHGD	
CC(C)(C)OCC(=O)NNc1ccccc1Cc1ccccc1	846464359	NBTOYTKPPDSGNA-UHFFFAOYSA-N	312.413	3.536	50	20	DHGD	
C=CCN(C(=O)CCCC[C@H]1CCSS1)[C@H](C)COC	855370822	JHWNUKDBEZVRRJ-KGLIPLIRSA-N	317.520	3.750	50	20	DHGD	
CO[C@@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccc(F)cc1	860318115	NXIGDZVTJURNBP-QGZVFWFLSA-N	316.376	3.582	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(Cl)cc2F)n1	885107674	NFWIWCMAJYNSHG-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
Cc1nc(C)c(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	912579841	IWBMUEFFUZQWFC-ZDUSSCGKSA-N	324.497	3.528	50	20	DHGD	
CC(C)c1scnc1C(=O)OC[C@]1(C)C[C@@H]1Br	1123039890	PDZUSWYYVGASGD-UFBFGSQYSA-N	318.236	3.597	50	20	DHGD	
CC1=CC[C@](C)(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	1604615891	WBVQMGGMAMVMKT-INIZCTEOSA-N	322.792	3.618	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	802619	VKVWBWFCTPBSQE-GHXNOFRVSA-N	320.739	3.767	50	20	DHGD	
CN(CCc1ccccn1)C(=O)CCCC[C@@H]1CCSS1	42034396	UMBSYNITAWJAAX-OAHLLOKOSA-N	324.515	3.797	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2ccccc2C(F)(F)F)c1C	52735823	CGNNFSCVTISACH-UHFFFAOYSA-N	312.291	3.981	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1	61110292	CVUMOGCBJIZRCN-SDNWHVSQSA-N	310.353	3.961	50	20	DHGD	
COc1ccccc1OCCN(C)/C(=C/C#N)c1ccccc1	78686956	RZFKQCKRDMKKHU-SFQUDFHCSA-N	308.381	3.570	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@H]1c1c(F)cccc1F	116170211	YWMSNKXZOQKDJZ-VXGBXAGGSA-N	322.742	3.865	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3c(F)cccc3F)cc2C1	118511101	MXHZNWBSGOYHDA-VIFPVBQESA-N	322.380	3.908	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(OC(F)(F)F)cc2)cc1	120470090	XOTNLZKPDWQKOC-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1OC	125474104	HNVKKHOYWUNPKB-HLVNSREUSA-N	317.385	3.625	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cc2cccc(Cl)c2o1	128605200	OCFWEOMILHYCCN-UHFFFAOYSA-N	322.151	3.892	50	20	DHGD	
CC1=NN(c2ccc(C(=O)NNc3cc(C)cc(C)c3)cc2)CC1	132472897	VAARDHFOMHCGPB-UHFFFAOYSA-N	322.412	3.646	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2ccsc2C1	132934592	HQOZYVPXVTVEHE-WCSRMQSCSA-N	311.366	3.579	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2cc(C)ccc2C)c1C	152673302	GASOSYNXNSVHHG-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Br)c(C)c1	153452714	PETFQQQTZGXEEX-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1	171389969	BXFFRZQGDPGPLO-GZTJUZNOSA-N	319.360	3.880	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ncccc1Cl	173601911	MGRJCUCPHZNRGS-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
Cc1ncc(C(=O)NNc2c(Cl)cc(F)cc2Cl)s1	179941651	QXFSFHZZEFGWBZ-UHFFFAOYSA-N	320.176	3.654	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)co1	188897589	PAYXTXKISZOKLQ-UHFFFAOYSA-N	302.227	3.503	50	20	DHGD	
CCC(C=NNC(=O)c1ccc(OC(C)C)c(OC)c1)CC	254611963	JSFPVVQDNWHVAK-UHFFFAOYSA-N	306.406	3.634	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1OC(F)F	265152510	QTVRFWOKUVUVPQ-QVIVLVACSA-N	309.312	3.819	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1	280888426	DZVRFKOKNJSJET-JYRVWZFOSA-N	317.385	3.625	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)c1cc(F)cc(F)c1	588597311	GIUHKNQFLIPVSM-YHYXMXQVSA-N	300.289	3.688	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cccc2ncccc12	730146480	YBJQFQWIQSQVPE-FHIRATQRSA-N	319.408	3.777	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1	732765274	LBLRVONHZZBGLG-IAQYHMDHSA-N	316.788	3.749	50	20	DHGD	
Cc1cccc(C=NNC(=O)NCc2ccc(Cl)cc2)c1C	732927194	GPNMZLDAWWHGMG-UHFFFAOYSA-N	315.804	3.790	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCCc2ccc(C)cc2)c1	735399465	JWTMMPUSLRGSKQ-PDGQHHTCSA-N	321.376	3.697	50	20	DHGD	
O=C(C[C@@H]1CCOC1)NNc1c(Cl)cc(Cl)cc1Cl	739465616	GSOMTBKHERXLSK-ZETCQYMHSA-N	323.607	3.517	50	20	DHGD	
COc1cccc([C@H](C)C(=O)NNc2c(C)cc(C)cc2C)c1	743765092	XHZVTQUJXJHKEV-HNNXBMFYSA-N	312.413	3.867	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CCCc2ccccc21	748759527	WNFFOXUUVMJWOF-GOSISDBHSA-N	317.392	3.798	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1cccc(Cl)c1	749340475	LTHSXGGTVYVKIT-MRXNPFEDSA-N	318.804	3.949	50	20	DHGD	
CC(C)[C@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CCS1	750055457	WRNFSTZYBCGVPA-KNDGBBJPSA-N	317.414	3.533	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccc3c(c2)nnn3C)n1	751034744	CKHWPWHQHVUOLB-SDQBBNPISA-N	309.398	3.612	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2n1	755464110	QNKBPCGJMBJMLL-SJORKVTESA-N	315.376	3.754	50	20	DHGD	
Cc1ccc(NNC(=O)C(F)(F)c2c(F)cccc2F)cc1	757782673	GPVXRWCJXYVOHA-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
C[C@H]1C[C@@H]1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	758368624	ZNLRLUHRTWOGEZ-QWHCGFSZSA-N	319.364	3.866	50	20	DHGD	
Cc1cccc2c1CN(/C(=C\C#N)c1cccc([N+](=O)[O-])c1)CC2	759881045	TUBYQFPXSDMITL-UWVJOHFNSA-N	319.364	3.826	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C(C)C)cc2O)c1	760134142	RDAZMVOEEYOKQY-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNc1ccc(F)cc1	767501284	DNTYYURDYGUPGW-ZDUSSCGKSA-N	324.355	3.890	50	20	DHGD	
CC(C)(C)OC(=O)C1CCC(=NNC(=O)CC2CCCC2)CC1	768365967	YJLWILOHYPLIOM-UHFFFAOYSA-N	322.449	3.571	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)OC[C@@H](C)CBr	770405482	KBXGQEVMWPXMKN-WCQYABFASA-N	321.255	3.689	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CCCc2sccc21	771352680	LBGGTRBGMXOXCU-ZDUSSCGKSA-N	319.405	3.899	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)NOC1CCCCC1	779681607	GQMVEDLOBPDVKZ-UHFFFAOYSA-N	318.204	3.884	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@]2(C)CCCS2)cc1	780840591	DISYPZPEABNMSV-QGZVFWFLSA-N	321.490	3.896	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1ccc(F)cc1F	789995954	FMLJGZHTAMYHGT-UHFFFAOYSA-N	322.380	3.975	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H]1CCCc2sccc21	795561265	JHTVYCQUNRQQOO-LLVKDONJSA-N	315.232	3.662	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccnc1Cl	799389598	FQZGVUNPMCHIOU-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccc(F)cc1Br	800520362	AZCWVMVNDHPKOB-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	803109599	RNURONGNPJFHIO-SOUVJXGZSA-N	324.428	3.679	50	20	DHGD	
COc1ccc(NC(=O)NN=C/C(C)=C\c2ccccc2)cc1	814998048	QUMAABCJYZMLMX-UITSGQOISA-N	309.369	3.906	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccc(F)c(F)c1F	815852787	JLABXPYRLVDUPH-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1Cc2ccncc2C1	816580295	ADTKSDKSJWUMJR-CQSZACIVSA-N	308.472	3.638	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(F)F)n(C)n1	820008354	KUNGDYGXBGONOJ-UHFFFAOYSA-N	322.359	3.546	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NNc1cccc(Cl)c1Cl	838343329	PTNPLGJIKJYODC-VIFPVBQESA-N	305.205	3.642	50	20	DHGD	
COCCC1(C(=O)NNc2ccccc2Cc2ccccc2)CC1	846464614	PZUBVRKGXLZTLH-UHFFFAOYSA-N	324.424	3.537	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(F)ccc1OC(F)F	849177924	AEPOVGNLGBSNKI-WEVVVXLNSA-N	301.239	3.651	50	20	DHGD	
CN(C(=O)NC[C@@]1(C)C[C@H]1Br)C1CCCCCC1	856951093	PAXFGMITMRKBSF-TZMCWYRMSA-N	317.271	3.524	50	20	DHGD	
CC(C)[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(F)cn1	857081085	CCGMKQPGASGRTI-HZSPNIEDSA-N	315.230	3.681	50	20	DHGD	
CCC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCCCC1	857392573	AKJAQBBROHWEDQ-WCQYABFASA-N	302.256	3.637	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)C1[C@H]2CCC[C@H]12	862519147	UESMWCLDTHNGPR-ROUUACIJSA-N	322.408	3.755	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(SC(F)(F)F)o1	868373032	IVJNOEUOTCZJDZ-UHFFFAOYSA-N	322.135	3.767	50	20	DHGD	
CN(Cc1ccc(Cl)s1)C(=O)[C@@]1(C)C[C@@H]1Br	905280102	SHFTVISDIFYXLI-KWQFWETISA-N	322.655	3.533	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C/C(Br)=C/c1ccccc1	915973561	AIOKQEPSSRTUKR-SJXRFHFSSA-N	309.207	3.571	50	20	DHGD	
Cc1ccccc1C=NNC(=O)CSc1ccc(Cl)cc1	916273416	CHELVSJFNKNJJM-UHFFFAOYSA-N	318.829	3.891	50	20	DHGD	
CCCCCCOc1ccc(C(=O)NN=Cc2ccc[nH]2)cc1	916285627	WSRUCLAIWXPQHO-UHFFFAOYSA-N	313.401	3.738	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(N2CCCCC2)cc1	916361313	XMMMSVWKXVMPRB-UHFFFAOYSA-N	321.424	3.749	50	20	DHGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1cccnc1	917208947	XMOYCYVUCFUMJZ-UHFFFAOYSA-N	321.380	3.934	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c1	921270249	SBJNVXUHWCMNGW-PXNMLYILSA-N	305.333	3.822	50	20	DHGD	
CCN(c1ccccc1)c1ccc(CNC(=O)CCl)cc1	1253969032	YGKYFSRXBBBTCO-UHFFFAOYSA-N	302.805	3.700	50	20	DHGD	
COc1ccc([C@@H]2CCN(C(=O)C3CCC(Cl)CC3)C2)cc1	1346386538	LGQLHWUNRPYUMF-HWOWSKLDSA-N	321.848	3.809	50	20	DHGD	
C[C@@H]1OCC[C@@H]1c1nnc(CCCC[C@H]2CCSS2)o1	1349376417	OKDYEKWBIZOTNG-SRVKXCTJSA-N	314.476	3.829	50	20	DHGD	
O=C(NC[C@H]1CC[C@H](c2ccccc2)O1)C1CCC(Cl)CC1	1548706565	XKUTXZMUPZWMMV-BHUNQDJPSA-N	321.848	3.821	50	20	DHGD	
O=C(CCCCl)NN=C(c1ccccc1)c1ccccc1	1558958	ANNCINJMCFHILW-UHFFFAOYSA-N	300.789	3.574	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc2c(c1)CCCC2	30612828	WCGIAOGPAUYNRG-UHFFFAOYSA-N	300.789	3.976	50	20	DHGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3[nH]2)ccc1O	51105198	IPCWCKVEEPEHPW-LCYFTJDESA-N	305.337	3.731	50	20	DHGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1ccccc1	70716984	XRHDUZDWMUMPFK-UHFFFAOYSA-N	304.777	3.641	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)NNc1ncccc1Cl	92429167	GMUAVLKDPDQWAJ-UHFFFAOYSA-N	320.780	3.591	50	20	DHGD	
O=C(CCc1ccc(Cl)cc1)NNc1c(F)cccc1F	118514783	OYZLIEUYHSHTPA-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NNc1ccccc1F	153087446	IYCBPWDADWUFSL-LLVKDONJSA-N	314.451	3.983	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1coc(-c2ccccc2)n1	155546825	DQVLOYMLSHQZCO-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
CCSc1cc(C(=O)NNc2ccccc2Cl)ccn1	158544450	XKTJJSFLJNLRFD-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
COc1ccc(C(=O)NN=C2C[C@@H](C)CC(C)(C)C2)cc1OC	254624194	MIQQZWJWCQXTAS-GFCCVEGCSA-N	318.417	3.636	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(NC(=O)C(F)(F)F)c1	263663957	KPXUMBIVWGVORT-CEXMDJMXSA-N	324.302	3.710	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2	726119047	SPUVFXSEQSMQCU-XGICHPGQSA-N	305.761	3.981	50	20	DHGD	
C[C@H]1C[C@@H](CC(=O)NNc2ccccc2[N+](=O)[O-])CC(C)(C)C1	727364662	RVMJQBDCDPDSFA-STQMWFEESA-N	319.405	3.890	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1cncs1	734745071	HYAAYBFHGSFADV-UHFFFAOYSA-N	319.455	3.628	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2c(cc1OC)C[C@@H](C)O2	741470175	QPVAOGFEVWZNPH-WIOCWTDVSA-N	313.397	3.931	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	741930316	PYZRLARZFCRARH-DOTOQJQBSA-N	318.461	3.934	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2cc(F)c(F)c(F)c2)C1	746701053	GCXAFEXWYABQBC-ZJUUUORDSA-N	300.324	3.763	50	20	DHGD	
C/C(=C/C(=O)NNc1cccc(Br)c1)C(C)(C)C	748020964	VKTGNMPZHUPNAF-NTMALXAHSA-N	311.223	3.885	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2ccccc2F)cc1C	748050331	AZKDDAOCNSSAJL-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2cccc(F)c2)cc1C	748090180	ALNOPUOEVSIUPL-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@@H]2CCc3ccccc32)cc1C	755508255	MPSKTWZJPMZVDM-KRWDZBQOSA-N	322.408	3.514	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1cccc2ncccc12	755699483	GERDTAOPWXSPFO-YJBOKZPZSA-N	315.376	3.754	50	20	DHGD	
CCC(=NNC(=O)c1ccc(N)cc1)c1c(F)cccc1Cl	767744122	XVKCZGCCHHZQJB-UHFFFAOYSA-N	319.767	3.605	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1cccc([N+](=O)[O-])c1	769924726	BMKSDRVWHRCWOE-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1c(F)cc(Cl)cc1F	775385029	HSCAWFIINQCYJO-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@H]1CCc2c(Cl)cccc21	775649680	MTKBNMUUVFWWGP-AWEZNQCLSA-N	304.752	3.652	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(Cl)c(Br)c1	776186109	QZCYICKUPSDFFU-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
O=C(NNc1ccccn1)c1ccc(Oc2ccc(F)cc2)cc1	777469034	NTGBMXLADAKEMZ-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777870645	VPTVLWQLGUKLRN-UKTHLTGXSA-N	309.312	3.847	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cc1F	780004355	MATZKNSWXFHFGS-RVDMUPIBSA-N	324.355	3.794	50	20	DHGD	
COc1cc(F)ccc1NC(=O)[C@@H](Br)C(C)(C)C	781073393	IFQZLLXCLRVOOL-LLVKDONJSA-N	318.186	3.582	50	20	DHGD	
CC[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)c1ccccc1	785344908	NSAQKCZPURHDGI-MTMYEVCSSA-N	319.360	3.798	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1csc(Cl)c1	787155615	RCBKNGLWYDJLMR-UHFFFAOYSA-N	310.781	3.624	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)c3cnc4ccccc4n3)cn2c1	789146615	AOLHCFJUCMZVCF-RIYZIHGNSA-N	311.348	3.650	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1c1ccc(OC)cc1	791440755	UMSLSZYWQQDXER-OAHLLOKOSA-N	310.235	3.783	50	20	DHGD	
CCc1c(C(=O)NN(C)c2ccccc2)cnn1C(CC)CC	792240148	MNGBYCGHEPFWSE-UHFFFAOYSA-N	314.433	3.588	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(SC)ccc1C	795423241	FIVFAUBUYPIJBR-UHFFFAOYSA-N	315.232	3.825	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc(C)c(C)o1	799864790	KLSIADIHNRNXJZ-UHFFFAOYSA-N	322.364	3.909	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2nccnc12	812770066	FONVVECIILGSSS-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
CSCc1cccc(NC(=O)NNc2cccc(Cl)n2)c1	814636046	WRFKBXDWPFNJQA-UHFFFAOYSA-N	322.821	3.747	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743239	LZQMILWASYNNOG-IUCAKERBSA-N	302.205	3.658	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3oncc3c2)c(C)c1	821028512	TVRPUHGSQDBIQF-NVNXTCNLSA-N	317.348	3.990	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)[C@H]2CCCC[C@H]2C)c1	834925831	DZYMAYMIIXBIRZ-PXAZEXFGSA-N	318.417	3.636	50	20	DHGD	
Cc1cc(OC(=O)c2scnc2C(C)C)ccc1[N+](=O)[O-]	835068912	BZNUYOMYAHTBQL-UHFFFAOYSA-N	306.343	3.702	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](c2cccnc2)C(C)C)c(Cl)c1	836935938	WUEUBFMGFRLHQT-MRXNPFEDSA-N	317.820	3.926	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CSCc2ccncc2)cc1	837055267	BRMMHOWQRAXNEN-UHFFFAOYSA-N	315.442	3.582	50	20	DHGD	
CC(F)(F)CCC(=O)NNc1nc2ccc(Cl)cc2s1	856234276	SFYOGFUUYWGXPI-UHFFFAOYSA-N	319.764	3.828	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc([C@@H]3CCCN(C)C3)c2)cc1	856850111	PUDLTSKAAHYFDB-GOSISDBHSA-N	323.440	3.561	50	20	DHGD	
C[C@H](NNC(=O)CCCCCc1ccc(F)cc1)C(F)(F)F	862319117	XKQRSKJOZGZLFW-NSHDSACASA-N	320.330	3.500	50	20	DHGD	
CC(C)(C#N)CC(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891549426	QZMBEDDUAGZZRN-CQSZACIVSA-N	324.541	3.939	50	20	DHGD	
CC(=NNC(=O)NCc1ccco1)c1ccc2ccccc2c1	920825532	SKWSFOBUQHRYAF-UHFFFAOYSA-N	307.353	3.656	50	20	DHGD	
CC(F)(F)C1(C(=O)NNc2cccc(C(F)(F)F)c2)CC1	1118749141	NZSXVVWWFRSXTD-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
Cc1ccc(NNC(=O)CNc2c(C)cccc2C)cc1Cl	1318866324	CLIAMARWBJJGEL-UHFFFAOYSA-N	317.820	3.820	50	20	DHGD	
COc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1F	1320700443	QFBOKBVNLYXZPO-MDWZMJQESA-N	305.312	3.842	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nnc(CC(F)(F)F)o2)cc1	1329073703	DYNDLWIQOMHSEZ-YRNVUSSQSA-N	323.274	3.637	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1ccc(C(=O)O)c(Cl)c1	1608300596	PJTCRVAOKZRUNS-UHFFFAOYSA-N	324.808	3.842	50	20	DHGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1ccc(F)cc1	63275660	CZYPHHOAGBBVJC-YRNVUSSQSA-N	313.357	3.705	50	20	DHGD	
Cc1ccc(NNC(=O)COc2ccccc2C(F)(F)F)cc1	126977343	FNFLIIHHFKXWPK-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1csc(C2CC2)n1)c1ccccc1	141370430	CZJIKWWSSFELOH-DGGAMASNSA-N	323.421	3.805	50	20	DHGD	
O=C(CCc1nc2ccccc2s1)NNc1ccccc1F	152858601	KBUWVIYIBBZDJW-UHFFFAOYSA-N	315.373	3.511	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cccc(C(F)(F)F)n2)c1	153201396	MVFIFPVYILKHRT-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2ccc3ccccc3c2)cc1	153215429	QWRQBRYQMFZEMC-UHFFFAOYSA-N	302.337	3.860	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2c(C)cccc2F)cc1	184359942	GPBRCNWFXOZPFB-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2(Cc3ccccc3F)CC2)c1	188978233	MYIPUZPPZKPLMR-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)CCCc2ccccc2)cc1	252643232	ZTLZULNKCOKDOI-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C/C=C/c1ccco1	252643316	ZUEVTAWYULLFGN-RKLHLXCKSA-N	320.348	3.627	50	20	DHGD	
COc1ccc2cc(/C=C(/C#N)C(=O)NCC(C)C)ccc2c1	255838763	UTQZQMIXNZXMCY-MFOYZWKCSA-N	308.381	3.528	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CCC(=O)c3ccccc32)c1	285453434	ZMIZOIWFIISNMU-MRXNPFEDSA-N	308.381	3.507	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(F)cc1F	293437515	RIXPPZDDHBCZRY-UHFFFAOYSA-N	319.355	3.803	50	20	DHGD	
CCOc1cccc(C=NNC(=O)[C@H](CC)c2ccccc2)c1	731931040	ARERMGVCXIBWKH-GOSISDBHSA-N	310.397	3.729	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cc2c(s1)CCC2	737425620	YIMKFZOELCIEEM-GFCCVEGCSA-N	302.443	3.923	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@H](c1cccs1)C1CC1	745406845	HWKFLEAJXWAUGB-ZDUSSCGKSA-N	322.821	3.574	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1C[C@H]1C1CCCCC1	745858253	PMMRCJUIAJGSNF-SMDDNHRTSA-N	309.360	3.560	50	20	DHGD	
C/C(C=NNC(=O)CCOc1ccccc1)=C\c1ccccc1	747059736	WEQCQQPGHFFGDE-NRTXCKCSSA-N	308.381	3.661	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1occc1-c1ccccc1	748001788	ISPMXACZLXQVJE-UHFFFAOYSA-N	323.308	3.612	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2ccc(C)cc2Cl)c1	748364522	AUAWEPRILZXXLV-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1	755782699	OIAFXDFVFHBVFX-CQSZACIVSA-N	319.408	3.927	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)c3ccncn3)cs2)cc1	758912265	LWUJEUBRQBOHHE-RIYZIHGNSA-N	304.378	3.973	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1CCC(F)(F)C1	764376104	GELVKOAWXAYMSQ-QMMMGPOBSA-N	324.158	3.807	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccc(CC#N)cc1	766751205	VBISJWZSQKCJGV-CYBMUJFWSA-N	324.218	3.605	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2-c2ccccc2C#N)CC1	767160833	YRQIQDVBBCAZKP-UHFFFAOYSA-N	313.360	3.521	50	20	DHGD	
CCn1nc(C=NNC(=O)Nc2ccccc2C)c2ccccc21	769782278	XKPXSFHPVWCCLI-UHFFFAOYSA-N	321.384	3.520	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc2c(c1)CCC2	775450969	VMQQGEWDPZLXFX-UHFFFAOYSA-N	318.380	3.872	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)c1ccc(Cl)cc1F	779774446	GDCGRKHAZCFPSF-UHFFFAOYSA-N	319.767	3.591	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1)C(F)F	782234615	YKBVKABREBTIEN-SNVBAGLBSA-N	320.261	3.710	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cccc(Cl)c2)c1	786051905	WQEQNZGJABUELY-SXGWCWSVSA-N	310.784	3.872	50	20	DHGD	
O=C(NN=CCC1CCOCC1)c1cc2c(s1)CCCCC2	788702172	QBDOVESNVUADMO-UHFFFAOYSA-N	320.458	3.549	50	20	DHGD	
N#Cc1cccc(NNC(=O)Cc2cccc(Cl)c2Cl)c1	789994223	PCGKJSVXHPOBCV-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
COc1cc(NNC(=O)CCCc2cccs2)ccc1Cl	790172642	ZZAAJMCPZGORAE-UHFFFAOYSA-N	324.833	3.876	50	20	DHGD	
CSSCCNC(=O)c1cc2ccc(F)cc2s1	791113381	GSXOQJVHHPTVRF-UHFFFAOYSA-N	301.433	3.781	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2ccc(-c3ccccc3F)o2)n1	794563934	BRVFAOVVLXKQEX-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)C1CCOCC1	794954034	QWDHNFAAOYDUBR-UVTDQMKNSA-N	303.789	3.805	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)CCC(C)(C)C	798311230	KKMJVDJECMBZGI-CYBMUJFWSA-N	305.422	3.610	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C1CCC[C@H]1CCCF	800805913	IBRCYGPZQPFRDY-HNNXBMFYSA-N	320.408	3.650	50	20	DHGD	
C[C@H](C1CCCCC1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	801582065	RDSNEIFCDJLKNS-RFRKOGIWSA-N	312.413	3.726	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ncsc2C(C)C)c(C)c1	810452108	DFVRNHSIJSJZIO-UHFFFAOYSA-N	303.431	3.949	50	20	DHGD	
CCCC(=NNC(=O)c1cccc(Cl)c1)c1cccnc1	814732392	KIXZEXZQBOTKDN-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
O=C(NN=Cc1nc2c(s1)CCC2)c1cccc2ccccc12	814854828	ZOLWXXHFVDPSEW-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=CCCCSC)c1	814992988	VAUCUSNTFZJWSK-UHFFFAOYSA-N	315.826	3.599	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@@H](C)c2ccccc2F)cc1	817900234	ZRVHOXSIYITIHC-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCCCc2ccco2)cc1	823631260	JHKTZAQFKUGYOR-UHFFFAOYSA-N	301.390	3.662	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@@H](C)CC[C@H]2C)o1	834950320	QAQIFFNETYZZQA-UONOGXRCSA-N	319.449	3.663	50	20	DHGD	
CC[C@H]1C[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CCO1	838348591	YVFVEECEHRCDKR-UWVGGRQHSA-N	317.216	3.642	50	20	DHGD	
Cc1nn(C)c2ncc(/C=C(/C#N)c3nc(C4CC4)cs3)cc12	843272733	MWNWKLUUJIKOCY-ACAGNQJTSA-N	321.409	3.675	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](c1cccs1)C1CC1	853265842	KBDPLZGMBWIFDH-HNNXBMFYSA-N	319.405	3.973	50	20	DHGD	
CC(C)(C)Oc1ccccc1NC(=O)NNc1ccc(F)cn1	878737682	QYLZHCLPZKUXNG-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(Cl)cc2F)CCO1	885107506	HJUYELRUZQBUHB-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
Cc1nc(C)c(CC(=O)NNc2c(C)cccc2C(C)C)s1	897812073	PFGKBKUFKHATMO-UHFFFAOYSA-N	317.458	3.878	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(C)c(F)c2)c(C)c1	914689498	VEXWDNLAOHSLSI-UHFFFAOYSA-N	315.392	3.886	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)c2cccc(Cl)c2)c1	916278572	VGVHIZRAHWHCDQ-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cc2ccccc2o1	916326769	PFAGSZNXVDTXNB-UHFFFAOYSA-N	322.364	3.660	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2ccc3ccccc3n2)cs1	1321897948	JMSHNTITAWLRDZ-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
N#C/C(=C\c1cccnc1)C(=O)Nc1cccc(C(F)(F)F)c1	6257506	APXGYZXGCCTMAD-KPKJPENVSA-N	317.270	3.646	50	20	DHGD	
Cc1cccc2cc(/C=C(\C#N)C(=O)NC(C)C)c(Cl)nc12	7165397	KAMZXZJGDPLMLI-RIYZIHGNSA-N	313.788	3.628	50	20	DHGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1nccs1	33377094	FYHZZRXNHZGEHR-VURMDHGXSA-N	324.192	3.996	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2ccc(F)cc2F)c(C)c1	88392602	GFAQBJRUSVISKC-UHFFFAOYSA-N	304.340	3.576	50	20	DHGD	
Cc1ccc2cccc(NC(=O)NNc3ccc(F)cc3)c2n1	92759881	AQZDRSPNYHASQD-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cccc(-n2cccc2)c1	133244878	CWXLYBYGBGIWMC-UHFFFAOYSA-N	311.772	3.888	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccnn2CC)cc1	152153564	ZNSJDAZGPSQQKU-AOHITCTBSA-N	322.412	3.962	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1nc(C(F)(F)F)cs1	152842822	DLUVZZIBYXMZAN-UHFFFAOYSA-N	321.368	3.966	50	20	DHGD	
O=C(Cc1ccccc1F)NNc1ccc(C(F)(F)F)cc1	153826972	OBEORUPZWWUJML-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1c(F)cc(F)cc1F	161320805	OFGLLBRPLRWAIN-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
O=C(CCCc1ccccn1)NNc1ccc(Cl)cc1Cl	178879530	ADJFJULLQIHBLT-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(Cl)c1OC(C)C	178967621	PCERKUMEFYFYBE-PKNBQFBNSA-N	308.765	3.510	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1	254395968	BVMIQWBQXRXOKX-UHFFFAOYSA-N	321.380	3.719	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)c1C	255122546	CRRPISVXUDIBEM-SFQUDFHCSA-N	316.360	3.996	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cccc(C2CCC2)c1	281934551	IIZLZHNEUZEPIV-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(Cc3ccccc3)CC2)cc1	294457187	UTKHRGBZFXMXEN-UHFFFAOYSA-N	310.397	3.551	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)C1CCC1	731932203	BMSLAAMLYZTXRL-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(F)cc1O	741462951	SXSCSWILBANWHX-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CC(c3ccccc3C)C2)cc1	743427171	KAXZMXGUKHAZMO-UHFFFAOYSA-N	322.408	3.732	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccccc12)c1ccc(Cl)cc1F	747646914	UDASFWOGGUKJKQ-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1C[C@@H](C)C[C@@H](C)C1	747750504	ASRJFXIMSSZDFQ-PHIMTYICSA-N	308.809	3.891	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2ccc(F)cc2F)c1	748290812	NQRICAPSJVMUEC-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
CC(C)C[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752489310	LCUYZYFNBYSFCJ-VGVSSDJJSA-N	300.377	3.627	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2ccc(Cl)cc2Cl)[nH]1	760235909	SXZSXTJTTYTBFE-UHFFFAOYSA-N	310.184	3.702	50	20	DHGD	
C[C@@H]1c2ccccc2CCN1C(=O)[C@@H](Br)C(C)(C)C	767980298	DKWWTKLULBYNEP-BXUZGUMPSA-N	324.262	3.942	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccn(C)n3)n2)cc1	773154957	XXXFBGBMEWDPBA-UKTHLTGXSA-N	322.393	3.616	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H]2C(C)C)c1C	775899848	LTTWRIOOZZNUCR-RLGUWMIQSA-N	313.445	3.679	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(NC3CC3)nc2)cc1	780802953	YJCAEDILALSSFG-UHFFFAOYSA-N	324.428	3.710	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCC#Cc1ccc(Cl)cc1	785378124	KUBQUVFUDOMZGT-LGMDPLHJSA-N	321.763	3.842	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccccc1Nc1ccccc1	791224737	GQHFSBUQWINKNV-UHFFFAOYSA-N	318.380	3.891	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H]1CCC(F)(F)C1	794922898	JBUQUZXNXQACOQ-QMMMGPOBSA-N	308.250	3.584	50	20	DHGD	
C=C(CBr)COC(=O)c1cnc2ccccc2c1C	795535934	QZEXOYAJKDAIGL-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@@H](CC#N)c1ccccc1	795982847	TYGHLURTOKEZFS-GXTWGEPZSA-N	324.218	3.648	50	20	DHGD	
Cc1cc(OC(=O)[C@H](c2cccnc2)C(C)C)ccc1[N+](=O)[O-]	797943873	XDKKRIVMEQQXPO-INIZCTEOSA-N	314.341	3.643	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1C[C@H](c2ccccc2)C1	798023191	JSMAULLOKPKGKB-CKGRNBSNSA-N	320.367	3.795	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1F	799889991	YDYMHOLYCZXVEY-GDNBJRDFSA-N	324.355	3.997	50	20	DHGD	
CCc1cccc(C)c1NC(=O)NNc1cccc(Cl)n1	814479706	PQBCUPNTJYGTCV-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
O=C(CSc1ccccc1O)NN=C1CCC[C@H](C2CC2)C1	814970627	WQKAAAPYPZUETJ-ZDUSSCGKSA-N	318.442	3.557	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(C2CCC2)c1	820008591	OCEQRGNWRNQGBB-UHFFFAOYSA-N	312.417	3.797	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	833473980	LFVROPMLSJVLQI-JTQLQIEISA-N	312.797	3.554	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1CCCC[C@@H]1c1ccccc1	837647482	FREKGKPKLPRYOD-CHWSQXEVSA-N	300.229	3.880	50	20	DHGD	
COCCC1(C)CN(Cc2ccc(OCCCCl)cc2)C1	839143405	QEZWXSJULMGNKN-UHFFFAOYSA-N	311.853	3.553	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc3c(c2)CC(C)(C)O3)c1	843835467	VZTUQPVWONUFRO-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
CC/C(=C\C(=O)N(C)CC(Cl)Cl)c1ccc(OC)cc1	848082837	ZUBPXONVRYKTNG-PKNBQFBNSA-N	316.228	3.751	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCC[C@H]1c1ccccc1	848083675	KDTYPDSPTMZILU-STQMWFEESA-N	300.229	3.832	50	20	DHGD	
Cc1nnc([C@@H](C)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	852522639	MVLCOOIBVIMQNU-DGCLKSJQSA-N	311.502	3.535	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2cc(F)cc(Cl)c2)C1	855619934	HRSDQKWTAFNTBD-YGRLFVJLSA-N	314.788	3.518	50	20	DHGD	
CC1(C)C[C@@]1(C(=O)NNc1ccc(Cl)cn1)c1ccccc1	856094312	FEOJZVLHMVBIPV-KRWDZBQOSA-N	315.804	3.546	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](OC(C)C)c2ccccc2)cc1F	856226032	RSRJHYPTHZXCCH-KRWDZBQOSA-N	316.376	3.744	50	20	DHGD	
C/C(=C\c1ccco1)C(=O)OC[C@@H](CBr)C1CC1	859736353	YQRKNAHZNRHJFI-OFFHKIPUSA-N	313.191	3.647	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cnn(CC2CCC2)c1	899344195	NNFXKXWLJRZQOD-CHHVJCJISA-N	311.410	3.843	50	20	DHGD	
CC(C)n1cncc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	901510308	BDZDWIPUMOHYRN-WZUFQYTHSA-N	306.291	3.942	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CCCC[C@H]2C)cc1	916337210	DCFWLDYNTRDDFV-KGLIPLIRSA-N	318.417	3.535	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(C)s2)c(C)c1	916375514	AKMZABSAMRJSHR-UHFFFAOYSA-N	303.431	3.808	50	20	DHGD	
O=C(NC[C@@H]1CCOc2ccccc21)c1cccc(CCl)c1	1346810090	NRZSADJKNFZBPT-HNNXBMFYSA-N	315.800	3.722	50	20	DHGD	
O=C(N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2)c1cccc(CCl)c1	1346934221	MUMQFHCCIRXHIU-OAGGEKHMSA-N	319.832	3.503	50	20	DHGD	
Cc1cccc(NNC(=O)CCCc2c[nH]c3ccccc23)c1	72514471	UHSIAWDWANRIIV-UHFFFAOYSA-N	307.397	3.942	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnn(CC)c2)cc1	111998315	XWNDLUXQYOWVTG-AYCSXLNKSA-N	322.412	3.962	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ncccc2Cl)cc1	114885389	ZYPDPGABWDFNQL-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
CC(C)COc1cccc(CNC(=O)NNc2ccccc2)c1	114943514	BVHHNBCXMTWEDT-UHFFFAOYSA-N	313.401	3.548	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(C)cccc1C	120728227	WNQCQOZVXLRGAF-RVDMUPIBSA-N	306.365	3.858	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2SCCc3sccc32)cc1	158687396	LUEWNVABPVFMPJ-AWEZNQCLSA-N	304.440	3.530	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2csc(C(C)(C)C)n2)c1	158692049	HGIOSPKEMLMDJC-UHFFFAOYSA-N	317.458	3.743	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1cnc2ccccc2n1	163630850	OALRLIZJIXTGFB-AWEZNQCLSA-N	320.396	3.575	50	20	DHGD	
CC/C=C(\C)C(=O)NNc1c(F)cc(F)cc1Br	174172996	OQVLZGQUBVVVLD-QPJJXVBHSA-N	319.149	3.527	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(F)cc1F)c1ccc(Cl)s1	176153449	CTGQTDINLDLDLH-ZETCQYMHSA-N	316.760	3.927	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccc(O)c1)c1ccccc1	188582080	ZFYFLYIQOHSMQS-QMJOVRGKSA-N	306.365	3.567	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	191754581	VKTZHOLJQDVCSO-WQLSENKSSA-N	317.382	3.691	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c(OC)c1	212691577	HHXHWXCCCJVITF-ZROIWOOFSA-N	311.312	3.633	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3nccnc3C3CCC3)cc2c1	287186956	LXTPQPTVTWUNQV-UHFFFAOYSA-N	322.368	3.556	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccccc1OC(F)(F)F	302896032	IHLORJRHYVKUEY-XFXZXTDPSA-N	313.275	3.835	50	20	DHGD	
CC(C)(C)OC(=O)N[C@H]1CC[C@H](CCBr)CC1	307273399	IPQZFHJVNMJWTQ-XYPYZODXSA-N	306.244	3.855	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1c(C)cccc1C(C)C	492988920	UXADASDEUADXRB-HJWRWDBZSA-N	309.413	3.978	50	20	DHGD	
Cc1c(NNC(=O)NC2CCCCCCC2)cccc1[N+](=O)[O-]	728126265	UITHVALFSQGGBE-UHFFFAOYSA-N	320.393	3.642	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCCCc2ccccc21	731486763	CQLZIZNADIGCMN-UHFFFAOYSA-N	308.381	3.556	50	20	DHGD	
CCc1ccc(C=NNC(=O)[C@@H](CC)c2ccccc2)s1	731931399	GWHAPBSHIOFCOD-INIZCTEOSA-N	300.427	3.954	50	20	DHGD	
CN(c1ccccc1)c1ccc(C=NNC(=O)C2CCC2)cc1	731933706	LDYXCRHWNRAZFA-UHFFFAOYSA-N	307.397	3.705	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)OC(C)(C)C)cc1	737763165	LMIVDHCTOCGPFY-ZDUSSCGKSA-N	320.433	3.860	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)cc(OC)c1	741474073	NBBVSBZHNJPOSS-WLRTZDKTSA-N	300.383	3.841	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)C1CCCC1	741770966	JGCHMDUBSKPPMP-UHFFFAOYSA-N	311.332	3.976	50	20	DHGD	
Cn1cc(C(=O)NN=C2CCCc3ccccc32)c2ccccc21	744781810	HMOBPNNQQPWQAR-UHFFFAOYSA-N	317.392	3.649	50	20	DHGD	
Cc1c(NNC(=O)c2ccc(C(F)F)cc2)cccc1[N+](=O)[O-]	748680373	GXOJQUHNCBUVNB-UHFFFAOYSA-N	321.283	3.598	50	20	DHGD	
Cc1cc(Cl)cc2c1OCCC2=NNC(=O)c1ccccc1	750911505	FOKARYXFRSQMSA-UHFFFAOYSA-N	314.772	3.565	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2ccc(F)cc2F)c(C)c1	752143766	MZDKGFHELZTJRF-UHFFFAOYSA-N	318.367	3.966	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2(C3CC3)CCC2)cc1	752225305	MQGXKLJRCLASPV-VBKFSLOCSA-N	324.424	3.689	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1cc(Cl)c(N)c(Cl)c1	754706680	OAABQBAIKMVKGK-UHFFFAOYSA-N	314.216	3.606	50	20	DHGD	
COCCOC(=O)/C(C#N)=C/c1cccc(-c2ccc(C)cc2)c1	757528226	WGNSJCKCARSKSC-CPNJWEJPSA-N	321.376	3.759	50	20	DHGD	
CC[C@@H](C(=O)NN=CC1Cc2ccccc2C1)c1ccccc1	766451794	WJWZGALAKZZUNB-LJQANCHMSA-N	306.409	3.697	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCCC1CCCC1	787394672	RKNJWQBIJSIURL-GHRIWEEISA-N	312.413	3.776	50	20	DHGD	
C[C@@H]1COCCC1=NNC(=O)c1cc2c(s1)CCCCCC2	794479382	FMHSXLZIMPOARA-GFCCVEGCSA-N	320.458	3.549	50	20	DHGD	
CCCc1nc(C)c(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)o1	796756543	MZUXLVDTIRMYLX-UHFFFAOYSA-N	318.329	3.680	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CCC12CCC2	799869070	HUSBCQDFLSVHGC-UHFFFAOYSA-N	308.834	3.868	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	807174008	TVLVKYBYXYPHBN-MELADBBJSA-N	312.417	3.613	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc2ccccc2c2cccnc12	808131077	GUAJGLOYCFDDSQ-UHFFFAOYSA-N	319.191	3.922	50	20	DHGD	
CN(C)c1ccc(NCc2ccc(OCCCCl)cc2)cn1	811471816	XQBIPVQEZATXHD-UHFFFAOYSA-N	319.836	3.767	50	20	DHGD	
Cc1ncc(CCNCc2ccc(OCCCCl)cc2)s1	811484779	KJZQJGYPOQHDQG-UHFFFAOYSA-N	324.877	3.792	50	20	DHGD	
C=C(C)[C@@H]1OCC[C@H]1CNCc1ccc(OCCCCl)cc1	811501420	LDFWOVNWSFOSIZ-WMZOPIPTSA-N	323.864	3.765	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cscc2Cl)cc1	814997622	XGRDQENMNAAQAX-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OC(F)F)c(F)c2)c1	815853621	SQLNLUDDXFGLDS-UHFFFAOYSA-N	324.302	3.801	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(Cl)nc(Cl)c1)C(C)(C)C	819742991	JCGJKCWGWYWBHN-VMPITWQZSA-N	302.205	3.824	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747109	KTBOGBWVFGDUTR-DTWKUNHWSA-N	302.205	3.658	50	20	DHGD	
Cc1cccc(Oc2ccccc2NC(=O)NN(C)C2CC2)c1	823977962	KFIGTJIAINMPID-UHFFFAOYSA-N	311.385	3.918	50	20	DHGD	
C[C@@H]1Cc2cc(C(=O)NNc3cccc4c3CCCC4)ccc2O1	830802350	ZQBGMPBBPJPEFW-CYBMUJFWSA-N	322.408	3.646	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cc(C)n(C(C)(C)C)n1	836934560	OYDVUEVBBKZKDW-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
O=C(NCCC(F)(F)F)NNc1cccc(Cl)c1Cl	838500173	COGNQJUWWBSZGN-UHFFFAOYSA-N	316.110	3.572	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C(C)(C)C)c1C	843713939	YMVWOFJNIMNZQM-LFIBNONCSA-N	301.434	3.679	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc(F)n1)c1cccc(Cl)c1	861685265	DJQJIPZYQYODOV-ZDUSSCGKSA-N	321.783	3.901	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)NNc1ccccc1C(F)(F)F	918155464	QKQSDZVBPLXNHA-PWSUYJOCSA-N	315.339	3.910	50	20	DHGD	
CCOc1ccc(NNC(=O)C2C[C@H]3CCC[C@H](C2)C3)cc1	1117790776	IFBACEQYWZDGOO-KBPBESRZSA-N	302.418	3.745	50	20	DHGD	
C[C@@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(CCl)c1	1120707871	PFODISHXUJSSGB-GUYCJALGSA-N	317.816	3.667	50	20	DHGD	
CC[C@H](C(=O)NNc1cccc(C(=O)O)c1)C1CCC(C)CC1	1594737530	XMQBSYQDMMOVKM-ZUEPYMLJSA-N	318.417	3.680	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)O)c(C)n1-c1ccc2c(c1)CCC2	7918754	HJKZHMOMOUPFPR-RQZCQDPDSA-N	306.365	3.574	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1F	8199059	ACBZZAAIUSMASG-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCOc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c1	8908659	CQFBORSMLCJONQ-UHFFFAOYSA-N	301.298	3.521	50	20	DHGD	
N#CC(C#N)=CNc1ccnn1Cc1cccc(Cl)c1Cl	15243015	DBSPDGWXINBRPT-UHFFFAOYSA-N	318.167	3.581	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ncccc1Cl	116452398	FFEYRNHJBIXHIS-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Br)cc2)c1	126642116	ADUKPBRGRVEKFL-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccsc1	132780538	YPWLADNSQUFFBD-ZETCQYMHSA-N	316.213	3.697	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	151368578	FEMNIGRJKMQTTM-YRNVUSSQSA-N	314.282	3.668	50	20	DHGD	
N#Cc1cccc(NNC(=O)C2(c3ccc(F)cc3)CCCC2)c1	152713346	ZVCSCRMRVUJOIL-UHFFFAOYSA-N	323.371	3.652	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccccc1F	152919408	AZXLHADREOHQQY-GFCCVEGCSA-N	304.340	3.677	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	158809293	VZSMZMBWFHNZJT-PEZBUJJGSA-N	322.364	3.648	50	20	DHGD	
COc1ccc([C@H]2CCN(C[C@H](C)CBr)C2)cc1	186307817	CNIVEPUTAWUVRW-OCCSQVGLSA-N	312.251	3.516	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cn1	194518973	XYYTXEBBXIJKED-MHWRWJLKSA-N	314.348	3.682	50	20	DHGD	
O=C(/C=C\c1ccccc1)NNc1ccc(OC(F)(F)F)cc1	255901904	UFLOXZLLJMPZKM-WDZFZDKYSA-N	322.286	3.742	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccc(F)cc1F	293508750	XYDHVJJJIKFIRS-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)c(F)c1)c1ccccc1	490693040	IFFZNBYHOXALGT-OBHPCNEJSA-N	324.355	3.706	50	20	DHGD	
CCCCSCC(=O)NNc1ccnc2cc(Cl)ccc12	729515163	DMDHIWNUCGDQRP-UHFFFAOYSA-N	323.849	3.865	50	20	DHGD	
COc1ccc2[nH]cc(C=NNC(=O)Nc3ccccc3C)c2c1	730145644	IZFVJQOVYNHDIG-UHFFFAOYSA-N	322.368	3.641	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1sc(C)nc1C)c1ccccc1	731931359	GDBLXRDQTXHHMW-HNNXBMFYSA-N	315.442	3.794	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CCC[C@@H]1c1ccc(Cl)cc1	741462635	SIHIJECPJXIOQW-CQSZACIVSA-N	315.804	3.732	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H](C)C1	747743773	GIUINEYJQVVNTR-CHWSQXEVSA-N	310.401	3.619	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2[C@H]3C=CC[C@H]2CC3)c1C	752437350	VRPZUHHCMPMBOV-OVVXSAMCSA-N	323.440	3.741	50	20	DHGD	
C[C@@H]1C[C@@H]1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	758368622	ZNLRLUHRTWOGEZ-CHWSQXEVSA-N	319.364	3.866	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	765904111	KNOXCKHQJWOMHP-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
C[C@H]1c2ccccc2CCN1C(=O)[C@@H](Br)C(C)(C)C	767980894	DKWWTKLULBYNEP-SMDDNHRTSA-N	324.262	3.942	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2nc3ccccc3[nH]2)cc1	768491589	BEXJGDJHCMUOSJ-UHFFFAOYSA-N	322.412	3.762	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1C[C@H](c2ccccc2)c2ccccc21	769328682	NCGJNAQIKOUZHP-QRURKXGXSA-N	318.376	3.609	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1ccc(OC)c(OC)c1	769566329	COLGOHUDKDYHPH-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	772177363	UYXOUXSKBIFOJW-UXBLZVDNSA-N	305.305	3.825	50	20	DHGD	
N#CSCCCNC(=O)c1cccc(Oc2ccccc2)c1	773588240	MMTADFMEKROBRM-UHFFFAOYSA-N	312.394	3.813	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(C(=O)O)c2)c1C	774119771	HREKRKNLPFBUPR-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	775882114	MOJBNANDNJASOH-OCCSQVGLSA-N	300.324	3.831	50	20	DHGD	
CSCCCCCNC(=O)NNc1c(C)cc(C)cc1C	776258139	MNNISJUYOVLCBZ-UHFFFAOYSA-N	309.479	3.771	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccccc2)C[C@@H]1OCc1ccccc1	776758067	GLWGWQRLZPCKDC-SFHVURJKSA-N	322.408	3.788	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)s1	786050954	QZZZCEWPWDERMV-GDNBJRDFSA-N	310.422	3.842	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1cc2ccccc2o1	791041576	RJWGTTWYTMYSCG-LBPRGKRZSA-N	310.357	3.524	50	20	DHGD	
CCc1cccnc1C(=O)NNc1cc(Cl)cc(Cl)c1	791718220	WFLWMLMKCDOXNN-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)[C@H](C)c1ccc(Cl)cc1	794446113	XVKWCGPELSTWLT-NSHDSACASA-N	301.777	3.644	50	20	DHGD	
COc1ccc(C=NNC(=O)c2cccc(Cl)c2)c(Cl)c1	794752960	YQBRIPMDKKBYPH-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCOCC2)c2ccccc12	794958979	QIJXWVBZFOLIRZ-VBKFSLOCSA-N	321.376	3.751	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2cc(C)ccc2[nH]1	795378046	MLEBBAMIVOLWND-UHFFFAOYSA-N	308.175	3.584	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C[C@H](C)C(C)(C)C)cc1	800807844	IJHAZXVCEAGMIZ-KBPBESRZSA-N	320.433	3.637	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccc(C)c(C)c1)C1CC1	807230178	RTEYPEBLSZUHEA-UHFFFAOYSA-N	324.515	3.989	50	20	DHGD	
CCCN(N=C1C[C@@H](OCC)[C@@H]1SC)C(=O)OC(C)(C)C	807987375	IXHTUPFLOCOTPJ-CHWSQXEVSA-N	316.467	3.530	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)N(C)CC(Cl)Cl)cc1	808246722	JGTYUBKDYWTFKN-UHFFFAOYSA-N	317.260	3.799	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C1CC1)C(F)(F)F	808866290	TVXHGHVIASHFSJ-ZDUSSCGKSA-N	315.339	3.524	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(C3=CCCC3)cc2)cc1	810681589	SOTSKSLGHYLHQJ-UHFFFAOYSA-N	303.365	3.882	50	20	DHGD	
C[C@@]1(NCc2ccc(OCCCCl)cc2)CCO[C@H]1C1CC1	811489253	BLGAYBYEPRAGOP-ZWKOTPCHSA-N	323.864	3.742	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1csc(-c2ccccc2F)n1	812227216	VIJLRFIHMNKLJG-JTQLQIEISA-N	319.405	3.836	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc2cncn12	812766038	DVYQELFMTVHALY-UHFFFAOYSA-N	314.414	3.585	50	20	DHGD	
CO[C@H](C(=O)NNc1c(C)cccc1C(C)C)c1ccccc1	812767048	RQISLGYRJAPCBV-SFHVURJKSA-N	312.413	3.949	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H](OC1CCCC1)c1ccccc1	816604773	WGFMIRJKCDBTAE-AWEZNQCLSA-N	316.228	3.607	50	20	DHGD	
O=C(CC/C=C\c1ccccc1)NNc1cccc(Cl)n1	817009745	XSBJJAQDLMCJCC-WTKPLQERSA-N	301.777	3.672	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCC[C@H](C(F)(F)F)C1	817011027	CJXWOTJRXRBLGV-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
O=C(CC[C@@H]1CCCCO1)NNc1cccc(Cl)c1Cl	838346344	SQXXTEQWOVFOFM-JTQLQIEISA-N	317.216	3.786	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C(C)(C)C)c1C	843713940	YMVWOFJNIMNZQM-WJDWOHSUSA-N	301.434	3.679	50	20	DHGD	
Cc1nc2ccccc2c(C)c1C(=O)N(C)CC(Cl)Cl	848084622	SRWCUJPTSJVFQB-UHFFFAOYSA-N	311.212	3.727	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCCC2(F)F)cc1F	854098641	RVHWTIGXZCQXPC-LLVKDONJSA-N	315.339	3.586	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)C(=O)CC(C)(C)C)c1C	863182411	KNAUPAOKHSIQLO-MDWZMJQESA-N	316.401	3.721	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(F)ccc(F)c1Cl	863188507	FNOMYACZDFZKDY-CLFYSBASSA-N	319.760	3.698	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C/C(Br)=C\c1ccccc1	915973560	AIOKQEPSSRTUKR-OBQZIOLCSA-N	309.207	3.571	50	20	DHGD	
CC(C)CCSCC(=O)NNc1ccccc1C(F)(F)F	919880934	AFOPERQUVSOOQU-UHFFFAOYSA-N	320.380	3.928	50	20	DHGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1	920398765	MRVGAQSTMJCXQL-VKAVYKQESA-N	323.392	3.872	50	20	DHGD	
CCCc1ncc(C(=O)NNc2ccc(Cl)cc2C)s1	928338810	ARTDKHZERXICIV-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
O=C(NC1CCN(C2CCCC2)CC1)c1cccc(CCl)c1	1120704643	GVPRHIKGSRFCPB-UHFFFAOYSA-N	320.864	3.562	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccnc2C2CC2)cc1Cl	1325112926	WVOHPFWOBFFVCO-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
COc1ccc(C(=O)NN=C(c2ccccc2C)C2CC2)cc1	1327496924	RSBVOFADFGVWHP-UHFFFAOYSA-N	308.381	3.548	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@](O)(c2ccccc2)C1	1331658806	INAHOYIEGCTHNZ-RQRMZWKBSA-N	304.393	3.535	50	20	DHGD	
C[C@@H](CN(C)C(=O)C1CCC(Cl)CC1)c1nccs1	1349424558	VIDXXZGHXDYFOR-UNXYVOJBSA-N	300.855	3.503	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2F)cc(OC)c1	16883143	ODINKTXIKPWGIQ-NTUHNPAUSA-N	311.312	3.633	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)CC2=CCCCC2)c1C	106903663	KMJVSYAYWAHGCT-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
C[C@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CCl	111001320	AFXFFUFNJOQQCH-SSDOTTSWSA-N	316.637	3.512	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ncccc1Cl	114885586	LIRWAZLYKUWNPM-CYBMUJFWSA-N	321.833	3.749	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccc(Cl)cc1Cl	114886389	ZPIXMTVPNKFPQL-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1c(F)cccc1F	119925742	SPLVIDKCPKZFSP-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
CCOC(=O)[C@@H](Br)c1ccccc1C(F)(F)F	129772791	DOTSPEPTWFXRIP-VIFPVBQESA-N	311.097	3.705	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@H]1c1cccc(F)c1F	158565740	ZLFFFCOEZKKXHA-QWRGUYRKSA-N	322.742	3.865	50	20	DHGD	
CC(C)(C)O[C@H](C(=O)NNc1cccc(F)c1)c1ccccc1	161091139	PZUZFOBVYRKWFJ-INIZCTEOSA-N	316.376	3.825	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@H]1CCCc2occc21	175303969	PZXAFFUHLYAZEH-ZDUSSCGKSA-N	323.755	3.776	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1cccc(Cl)c1	178572605	HLOOCBHTJUUORF-CHWSQXEVSA-N	306.818	3.957	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2cccc3c2CCCC3)CCO1	184261636	JOEZHUFPAHGCPH-HZPDHXFCSA-N	316.445	3.604	50	20	DHGD	
O=C(CCC1CCC1)NNc1ccccc1OC(F)(F)F	190154978	IQURLEHBDRATMB-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCCc3cccnc32)cc1	192857049	IDBNXGFYSRVAOA-KRWDZBQOSA-N	323.440	3.942	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1ccccc1Cl	193921778	XTTPPPFFXHJNQT-UHFFFAOYSA-N	300.789	3.515	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C#N)c1	208303933	RZSOVSLKUCCNMP-WJDWOHSUSA-N	317.348	3.503	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1ccc(Cl)s1	254848156	DPXGPFPTIJIIMI-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C(C)C)cc2)cc1	254875621	AAWSVLDBQIXZJQ-UHFFFAOYSA-N	309.413	3.681	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(COC(C)C)cc1	274621200	QEHOVJIUSHTUQY-UHFFFAOYSA-N	316.376	3.816	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C(C)(C)C2CCOCC2)cc1	280340202	VPHGSSOMBJTBGR-UHFFFAOYSA-N	318.461	3.880	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccc(F)cc1)C1CC1	287832806	NBVUIGNHWNMMIS-UHFFFAOYSA-N	314.451	3.511	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(SC(F)F)cc1	288181317	JCWQODPSIROTPD-UHFFFAOYSA-N	300.157	3.535	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)C2(CC(C)C)CCCC2)c1	293891244	JHSQUSYARMEWFO-UHFFFAOYSA-N	317.433	3.695	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc1	294226436	FOKSWBJMNALANW-LSDHHAIUSA-N	316.426	3.702	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	491086800	VGBUPIJEMXTSMP-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1cc(F)cc(F)c1	588597768	YJKKTCVUDRQOPR-LAFDYMOFSA-N	321.229	3.738	50	20	DHGD	
Cc1cc2ccccc2n1CC(=O)NNc1ccccc1Cl	727870026	SVBYSSBNUSTVFU-UHFFFAOYSA-N	313.788	3.746	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)oc1C	735669300	DVCGSIUZOWAMMW-GHXNOFRVSA-N	321.336	3.624	50	20	DHGD	
Cc1ccc(NNC(=O)CCSc2ccccc2F)cc1	746028525	YKVMTGHAUVJDHI-UHFFFAOYSA-N	304.390	3.760	50	20	DHGD	
CC(C)OCc1ccc(C(=O)NNc2cccc(F)c2)cc1	748089023	XLKXDYVVSKZHCJ-UHFFFAOYSA-N	302.349	3.508	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2cc(C)ccc2C)c(C)c1	748412667	FMCOZDFIAVLDQU-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccco2)C1	750045466	QZPISAGLYJKNKI-WYLIHXSISA-N	309.325	3.542	50	20	DHGD	
C[C@@H](CN(C)C(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1	751945055	KTCNGPWKPDTIGZ-BRFSQIRFSA-N	322.383	3.995	50	20	DHGD	
CCCCCCCCNC(=O)NNC(=O)Nc1ccccc1C	754863814	DWMDPOHAKHSHNW-UHFFFAOYSA-N	320.437	3.691	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@H]2C[C@H]2c2ccccc2)c1	755503592	BHTVFMJAWQCGCC-MSOLQXFVSA-N	322.408	3.588	50	20	DHGD	
O=C(NN=C[C@H]1CCc2ccccc21)c1cc2c(s1)CCC2	755540550	ABJLSZSLWHNEHC-CQSZACIVSA-N	310.422	3.682	50	20	DHGD	
CC(C)CC(=O)NNC(=O)Nc1ccc(SC(C)(C)C)cc1	756319172	VESDIBSAKZUOHO-UHFFFAOYSA-N	323.462	3.776	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)c2ccncn2)cc1OCC	758913939	DXCMANUKDZUFPH-XNTDXEJSSA-N	309.369	3.728	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2cc(F)ccc2C1	768816764	QUVOXCPVRWORFX-NGYBGAFCSA-N	323.327	3.657	50	20	DHGD	
Cc1ncccc1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	776259665	OETPHBVWFUDZAR-ZROIWOOFSA-N	314.291	3.781	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccccc1C(=O)OC	780738318	JZKCOJAUDLYMBC-AWEZNQCLSA-N	318.417	3.523	50	20	DHGD	
COc1cc(NNC(=O)Nc2cccc(C)c2)ccc1Cl	788541260	SSIJFNBKEPSMAO-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791718352	QPCPPGFGFWCVGC-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
CC[C@H](C)CC[C@H](O)CC(=O)NNc1cccc2c1CCCC2	793711952	OXSXAAXUUCDOCK-HOCLYGCPSA-N	318.461	3.586	50	20	DHGD	
C=C(CBr)COC(=O)/C=C(\C)c1ccc(F)cc1	795465256	KKYGYGGIQRRYLU-YRNVUSSQSA-N	313.166	3.723	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1	797336781	FJCSUGPGPXOMGY-RAXLEYEMSA-N	310.319	3.919	50	20	DHGD	
CCc1nn(C)cc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797399965	YJPVRRYEWYCHPG-XFFZJAGNSA-N	300.431	3.801	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1coc(C(C)C)n1	799480017	MLBQVGJNXVVOHL-UHFFFAOYSA-N	322.368	3.500	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc(Cl)c1O	799756000	OLDFSZOQLLJEJY-UHFFFAOYSA-N	304.777	3.673	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2CCC2(C)C)c1C	805323407	NIJPOPUISBOEHO-NIFLVVHWSA-N	313.445	3.727	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1nccnc1C1CCC1	805463926	OBSXMRRNYSYQNR-CYBMUJFWSA-N	304.438	3.794	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1nc(C)sc1C	815004243	CGCRZMKYAVTPSS-UHFFFAOYSA-N	322.821	3.959	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(C)cc2Cl)c1C	836938065	XGVHRIAUPPOHNR-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
COc1ccc(CN(C)C[C@@H](C)CBr)cc1Cl	839660950	IJUAKNAMBXWKFZ-JTQLQIEISA-N	320.658	3.811	50	20	DHGD	
CO[C@H](C=NNC(=O)c1c(Cl)cccc1Cl)CC(C)C	841627665	YMBTYTXOUROTST-JTQLQIEISA-N	317.216	3.770	50	20	DHGD	
CCN(CCSC)C(=O)CCCC[C@H]1CCSS1	844123607	GKMIJLAHTSFRNX-LBPRGKRZSA-N	307.550	3.912	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2cccnc2N)C1	844337221	QOQHZJPDHODXIV-OAHLLOKOSA-N	321.541	3.650	50	20	DHGD	
CC/C(=C/C(=O)N(C)CC(Cl)Cl)c1ccc(OC)cc1	848082836	ZUBPXONVRYKTNG-LUAWRHEFSA-N	316.228	3.751	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC(C)(C)c1ccc(C(C)C)cc1	855191322	YWLSNUDMEBKHJY-QINSGFPZSA-N	300.402	3.605	50	20	DHGD	
CCSCc1cccc(NC(=O)NNc2cccc(C)n2)c1	860681515	OWLRAOIWVCQWNP-UHFFFAOYSA-N	316.430	3.792	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)CC)c1C	865947187	PQSOQRLFHFAQMU-GPLLRDDGSA-N	301.434	3.727	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCCF)c1nc2ccccc2s1	872438129	WPZQMMOERABFSQ-NSHDSACASA-N	319.405	3.932	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	885127561	USXXTWQYFXTIGR-BBRMVZONSA-N	324.852	3.933	50	20	DHGD	
Cc1coc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1	912578687	DEKBCCOAHSECME-CYBMUJFWSA-N	309.482	3.824	50	20	DHGD	
Cc1cccc(NNC(=O)CSc2ccc(C)cc2C)c1	912634581	IKNMILZYDCPHFA-UHFFFAOYSA-N	300.427	3.847	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)Nc1ccccc1C	915972032	VNBGVJRGOJGQFJ-UHFFFAOYSA-N	311.385	3.831	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccn1C1CC1)c1ccccc1	1117944644	JZEXGTCDUMPHQO-RGHBXIHOSA-N	305.381	3.607	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1321168057	XZBRGVSHYZSWKT-LLVKDONJSA-N	323.368	3.784	50	20	DHGD	
CC[C@H](C)[C@H](CNC(=O)CCCC[C@H]1CCSS1)OC	1328028441	ZGCXCPNOPNUYAS-IHRRRGAJSA-N	319.536	3.878	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1cc(Cl)ccc1[N+](=O)[O-]	1344403805	ZXPNWXVQNHLMEK-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045767	JVBKDUAVYQHSEO-GFCCVEGCSA-N	315.373	3.629	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1F	20787162	SLDMOQLEDXTEFD-SDNWHVSQSA-N	310.328	3.770	50	20	DHGD	
C[C@H](C(=O)NNc1ccnc2ccccc12)c1ccccc1F	109020579	WTHFHSHHVWWYBH-LBPRGKRZSA-N	309.344	3.621	50	20	DHGD	
O=C(NNc1ccncc1Cl)C1(c2ccccc2)CCCC1	135893042	DKTIOYJCVKRLFQ-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C)c2ccccc2)c1	138193113	LWIGGSPKMFPLOZ-RQNDZEIBSA-N	307.349	3.907	50	20	DHGD	
Cc1ccc2cccc(C(=O)NNc3ccc(F)cc3F)c2n1	156251002	FGWRTRPHLYJHNW-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)c1ccc([N+](=O)[O-])cc1	175315761	VSFJRUNKNOCBHQ-VZUCSPMQSA-N	302.236	3.643	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)cc(F)c1	175406549	KRNKPCNZSCISFE-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3cc(F)c(F)c(F)c3)[nH]c2c1	175477468	IKZPMXMXOUDYJB-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCC[C@H]1CCCO1	177934135	WFRDRRQGMYUROV-CHWSQXEVSA-N	304.477	3.813	50	20	DHGD	
CCCCCCOc1cccc(/C=C(\C#N)S(=O)(=O)CC)c1	191762984	NGNZOQQWFBOFMC-GHRIWEEISA-N	321.442	3.945	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cc(C(C)C)oc1C	288802106	TXOYOFPKLNRLBK-UHFFFAOYSA-N	317.345	3.685	50	20	DHGD	
Cc1ccnc(NNC(=O)CCCc2ccccc2Cl)c1	290382888	LWQGBDIXFRWPJJ-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)nn2C)cc1	491102336	HNKILJRRRYZTSQ-RERGGYADSA-N	322.412	3.788	50	20	DHGD	
COC(=O)N(C)N=C1CCC(O)(c2ccc(C(C)C)cc2)CC1	497211075	RCINWEKGXPLOKR-UHFFFAOYSA-N	318.417	3.626	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(Cl)ccc1F	727760136	ZJNLMMAOAIQPBX-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCC1	731932526	OBMGIBVCHSTNAD-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H](C)C(C)(C)C	734548979	PPXOXGKUHIHSLW-GFCCVEGCSA-N	321.490	3.810	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1cccc(Cl)c1Cl	734976957	WODLYOUIYPLSRX-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CCC[C@@H](CC)NC(=O)NNc1ccccc1C(F)(F)F	744886661	FECBOGGDDZFFLC-SNVBAGLBSA-N	303.328	3.910	50	20	DHGD	
CC(=NNC(=O)N(C)C)c1ccc(SC2CCCC2)cc1	745601433	AAWJJDVOGXJDRM-UHFFFAOYSA-N	305.447	3.717	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1C[C@@H]1C1CCCCC1	745857959	NHYYAGBJBFGNQI-IUODEOHRSA-N	307.825	3.935	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1cccc(-c2ccccc2)c1	746488764	KWWSMCZKMKAWMD-UHFFFAOYSA-N	303.365	3.836	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc3cccnc23)cc1C	747356800	XPQARJBKETZCCY-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)cc1	747697626	ZPWBLLVREBIAEB-CWNZAPJZSA-N	322.339	3.936	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1ccccc1Cl	748303073	NUVHACKYXPNPTI-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
Cc1ccc(NNC(=O)C(F)(F)c2cccc(Cl)c2)cc1	749194646	ZNYLXKQYUHWCBG-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccco1	754153300	GVZDJCKPQLHPGN-QMMMGPOBSA-N	316.254	3.684	50	20	DHGD	
CC(C)(C)CC=NNC(=O)Cc1nc(-c2ccccc2)cs1	755623549	CMBXFKZGVRXYFI-UHFFFAOYSA-N	315.442	3.891	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2ncccc2C(F)(F)F)C1	756774798	ULPQPYREESKAFI-SNVBAGLBSA-N	315.339	3.760	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc(F)c(F)cc1F)c1ccccc1	767781944	LCSXRGCLLKKFMF-UHFFFAOYSA-N	320.314	3.532	50	20	DHGD	
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NNc1ccccc1	770077873	RVMUKIIDZJZSSQ-INIZCTEOSA-N	318.804	3.887	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](c1cccs1)C1CC1	771296403	OKUCLAIVMDNEHY-HNNXBMFYSA-N	319.405	3.973	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccccc1Cl	771701971	RJRYEBINMNILHQ-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
N#C/C(=C/c1cscc1Cl)C(=O)NCCc1ccccc1	771842959	VPWHVWNPEAXYGW-JYRVWZFOSA-N	316.813	3.667	50	20	DHGD	
CC[C@@H](CC(=O)NNc1nccnc1C(C)C)c1ccccc1	772876870	LYSZNTCJFZQRJS-AWEZNQCLSA-N	312.417	3.627	50	20	DHGD	
CCCCOc1ccccc1NC(=O)NNc1ccc(C#N)cc1	775546225	IAZUSDVZCULCIE-UHFFFAOYSA-N	324.384	3.886	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc2cnccc2c1)C1CCCCC1	780004134	FXAJKHSQSVCUDV-PDGQHHTCSA-N	319.408	3.933	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CO[C@H](C)C1	784041200	ZIEWYRKOSQULEU-RISCZKNCSA-N	318.442	3.748	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)C1CCC(F)(F)CC1	788712477	HRMASFKEPGTAJV-UHFFFAOYSA-N	308.372	3.937	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1	788928224	CCGODFCTLZGRKO-LLVKDONJSA-N	321.302	3.620	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790100376	PMLQBSGXQSMPGB-LUAWRHEFSA-N	315.275	3.861	50	20	DHGD	
CSSCCNC(=O)CSCc1cccc(Cl)c1	791096349	ATBUKKGNXPSGEJ-UHFFFAOYSA-N	321.920	3.701	50	20	DHGD	
CC(C)CCO[C@@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791732885	FHGMOZYXGYXAFI-JTQLQIEISA-N	319.232	3.888	50	20	DHGD	
CCSCCCNC(=O)NNc1cc(Cl)ccc1Cl	800731661	NZFTXSUTNRGSTF-UHFFFAOYSA-N	322.261	3.763	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cnn(-c2ccccc2)c1	807971376	SNQQQUPYHZWHKH-AWEZNQCLSA-N	312.417	3.804	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H](c2ccccc2)C1	814330818	YLIMFPGKYXQZCS-CQSZACIVSA-N	310.488	3.587	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1CCC[C@@H](C)C1	816486904	XBFHCZFSSXWFAV-NEPJUHHUSA-N	324.856	3.913	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1Cc2ccccc2S1	821693449	XAQZAJXVZZGHPK-AWEZNQCLSA-N	304.802	3.500	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cnccc2Cl)cc1	839720660	FVGGSRJHSMCTLA-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1C[C@H]1c1ccco1	839923967	DMAZCFNGEQWLRU-JHJVBQTASA-N	311.472	3.966	50	20	DHGD	
C[C@H](N)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841191311	XZDCLVMBNJJVMH-ZETCQYMHSA-N	319.299	3.813	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccnn2CC(C)C)cc1C	843265878	QFRHABVDLJJQDB-LICLKQGHSA-N	307.397	3.946	50	20	DHGD	
C[C@H]1CCCCCC1=NNC(=O)c1cccc(OC(F)F)c1	844582402	JGGQVOGPGSOUGG-NSHDSACASA-N	310.344	3.974	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1cccc(C(=O)O)c1	853425498	GGFPITHUQQGRGS-LBPRGKRZSA-N	304.390	3.563	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCCCSC#N	854360035	ZQHFFJHUANEWSL-ZIAGYGMSSA-N	302.443	3.697	50	20	DHGD	
CC(=O)[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	854726394	NOAPTXVJXRQLAX-UONOGXRCSA-N	315.504	3.671	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cc(F)cc(Cl)c2)n1	855618873	UQXHJPAEPNNRPK-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CCc1nc2c(s1)C(=NNC(=O)c1cc(C)cs1)CCC2	863155300	FOBPSKSNUMWCSU-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(C(C)C)n2)cc1Cl	1319158379	VZGLBDFWSNFKKK-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
O=C(NCc1ccc(N2CCCC2)cc1)C1CCC(Cl)CC1	1348517708	QQEQSAJYTNFCOX-UHFFFAOYSA-N	320.864	3.701	50	20	DHGD	
CCCOc1c(Br)cc(C=C(C#N)C#N)cc1OC	3570202	IQXNYWSRCVBXJP-UHFFFAOYSA-N	321.174	3.677	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	48985075	LGCHVUWXYKBYQA-WZUFQYTHSA-N	304.396	3.730	50	20	DHGD	
C=C(Br)CNC(=O)CCCC[C@H]1CCSS1	68952358	JAPZWUDQVRDGMZ-JTQLQIEISA-N	324.309	3.725	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1	97395691	RRPADLAXNUAKOE-UVTDQMKNSA-N	310.328	3.770	50	20	DHGD	
COc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	133400097	ZMRFZHFXIZKLCK-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1cc(F)c(F)cc1F	161160173	NOXGITRAFNXXOM-UHFFFAOYSA-N	320.380	3.859	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccccn2)c(Cl)c1OC	171670562	KMPNVQZEHVRGJY-FMIVXFBMSA-N	300.745	3.816	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)c(C)c1	171982490	JZDKBSAMJCZTHK-RIYZIHGNSA-N	322.330	3.764	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccc(Cl)cc1	182580809	LCTRDYPYRYARSK-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccc(C#N)c1)c1ccccc1	188573716	XOHXZGIXYMJCCB-TVNWYLLRSA-N	315.376	3.733	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2ccc3ccccc3n2)c(C)c1	254875930	AQFWKVCSVOXHJL-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCCC2)o1)C(=O)Nc1ccccc1	255177789	CJDXQOMNSXHICA-SQFISAMPSA-N	321.380	3.816	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2c2cc(Cl)cc(Cl)c2)CC1	270936541	LUDNSNHZOQTJLY-CABCVRRESA-N	321.207	3.779	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccnc1C)c1ccccc1	490696259	ONNPGJUNSZKTSQ-XCMFGDQWSA-N	305.381	3.565	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1sc(C)nc1C	726737080	HLEUJVIXCRBHPR-UHFFFAOYSA-N	302.403	3.614	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)CCc1ccccc1O	729934719	OROSRXZGUIUOQO-AWEZNQCLSA-N	302.418	3.787	50	20	DHGD	
Cc1ccccc1[C@@H](NC(=O)NNc1cccc(C#N)c1)C(C)C	732705008	MUOUCMHSSZJFKP-SFHVURJKSA-N	322.412	3.890	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cnnc3ccccc23)cc1	733811579	LVDWPTVKIOQYAG-UHFFFAOYSA-N	320.396	3.684	50	20	DHGD	
O=C(CCC(F)(F)F)NN=C(c1ccccc1)c1ccccc1	742516819	LNPVOEFNBCYQPI-UHFFFAOYSA-N	320.314	3.898	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCCc2cc(C#N)ccc21	743438853	XAPKJQJCRLNGQZ-UHFFFAOYSA-N	318.380	3.729	50	20	DHGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)c1cccc(C#N)c1	743439583	BXQMEBRBGVMANO-UHFFFAOYSA-N	323.371	3.682	50	20	DHGD	
CCOc1cccc(C(C)=NNC(=O)Nc2ccccc2C)c1	743531306	PTGAUFCAGYMBKG-UHFFFAOYSA-N	311.385	3.939	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2ccc(Cl)nc2)cc1	743815136	TTYLAQCKWVYTPZ-UHFFFAOYSA-N	317.820	3.619	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)CCC(C)C)o1	746490937	TZLIIXHMXXCXGA-UHFFFAOYSA-N	307.438	3.663	50	20	DHGD	
CCCCc1ccc(C(C)=NNC(=O)Cc2ccncc2)cc1	747646092	MLTALRQYKTVUFU-UHFFFAOYSA-N	309.413	3.507	50	20	DHGD	
COc1ccccc1C/C(C)=C\C(=O)NNc1cc(C)ccc1C	748429741	TVYUULHTWGHWMG-SQFISAMPSA-N	324.424	3.944	50	20	DHGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	750895488	ICOVSXLUKNWFIU-LJFVSUNUSA-N	300.377	3.736	50	20	DHGD	
COCCC(C)(C)NC(=O)CCCC[C@@H]1CCSS1	752448390	KBZQLNLWLRIOMO-GFCCVEGCSA-N	305.509	3.632	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2cccc(C)c2)cc1	752616206	AXNXLAGOVJDRAC-UHFFFAOYSA-N	300.427	3.793	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)C1CCOCC1	755888122	CWFIHIWSXIJUNY-UHFFFAOYSA-N	315.200	3.526	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccccc1Br	761996334	INMOYXKLCVHQFY-SNVBAGLBSA-N	313.239	3.965	50	20	DHGD	
CC(CCC1CC1)=NNC(=O)c1ccc(Br)s1	768768710	PUHKBFQMAUNQIN-UHFFFAOYSA-N	315.236	3.807	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@@H](C)c1cccc(F)c1	770375615	REHZMGKFTVFBQE-GHMZBOCLSA-N	317.198	3.894	50	20	DHGD	
C[C@@H]1C[C@@H](CNC(=O)CCCC[C@H]2CCSS2)CCO1	770882124	OKJQMMWELQWIHO-RDBSUJKOSA-N	317.520	3.632	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@@H]1CCc2ccccc2C1	771693137	RKEMZUKVCRXIFG-CQSZACIVSA-N	312.388	3.772	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1ccc([N+](=O)[O-])cc1	775432603	LDDBRLUAGMUVDD-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2F)c(Cl)c1C	783590577	YBUOCGGIIKEZIF-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1csc(Cl)c1	786644603	RWMGBNFSBHIHPK-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1Cl	789128265	PDPREOMSYBAIQY-RIYZIHGNSA-N	313.788	3.717	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)C1CCCCC1	790222464	RBYUZBVZCKIECX-DTQAZKPQSA-N	305.381	3.929	50	20	DHGD	
CSSCCNC(=O)NCC(C)(C)c1ccccc1C	790693848	XDPVUCADGXVQIR-UHFFFAOYSA-N	312.504	3.583	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1c[nH]c2ncccc12	791732409	CZAKIEKFPSQZAJ-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c(C)cc1Cl	793707408	WFVUMNGULJDTDW-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1C[C@@]12CCc1ccccc12	799758464	MQOXSRKQZBHWED-WIYYLYMNSA-N	320.436	3.905	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1C	806554436	TXVZVMNQGDTXAU-GXDHUFHOSA-N	301.386	3.925	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(/C#N)c2nc3ccccc3[nH]2)cn1	806565601	PGLMIETUSBRSCZ-JYRVWZFOSA-N	303.369	3.715	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)C)n(C)n1	812768883	LPMHAPZEXFIGNQ-UHFFFAOYSA-N	314.433	3.732	50	20	DHGD	
CC[C@@H](C=NNC(=O)c1c(C)nc2ccccn12)c1ccccc1	814718500	ZGSJABHPHNCERQ-HNNXBMFYSA-N	320.396	3.552	50	20	DHGD	
CCC1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCCC1	819747518	SJZJNHXPVNSYGX-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
CC1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCCCCC1	833552491	BORNAKWQESQQLP-UHFFFAOYSA-N	324.808	3.842	50	20	DHGD	
COCC1(CCNC(=O)NNc2ccc(C(C)C)cc2)CCC1	838617612	ZFEQCHNEFZHXOT-UHFFFAOYSA-N	319.449	3.643	50	20	DHGD	
CCC(=NNC(=O)c1ccc(CN(CC)CC)o1)[C@H]1CC1(C)C	841622378	RKHVNOKQYRZHMP-CQSZACIVSA-N	319.449	3.663	50	20	DHGD	
Cn1nc(NCc2ccc(OCCCCl)cc2)cc1C1CC1	848552822	NYNQETAFZTWURJ-UHFFFAOYSA-N	319.836	3.917	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2cc(F)ccc2C)cc1	855366866	IWUYZMHZYAPTGL-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CCC[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccccc1	857408039	OMQJGBSZCJBFDM-OFQRWUPVSA-N	324.262	3.860	50	20	DHGD	
CCOCCC1(C(=O)NNc2cccc(F)c2Cl)CCC1	862509580	LSWPZLXOQCOPTE-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	865222836	AZWWFXYXMDLKOI-YHYXMXQVSA-N	307.296	3.575	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NNc2ccccc2C)c1	865540436	ORJRSHYPEFYLRI-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)/C=C/c1cccs1	899892240	BQQIAZOKJSRUKM-AATRIKPKSA-N	303.339	3.892	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(C)c(C)c1	915921775	INCRQBIEJDQXAB-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(C#N)cc1	917547342	QUJHCBGTHWAVIR-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
Cc1cc(NNC(=O)C2CCC(F)(F)CC2)ccc1Cl	928341367	YNBJCPBCUBEXOL-UHFFFAOYSA-N	302.752	3.917	50	20	DHGD	
CC1=C(Br)CN(C(=O)C2CCC(Cl)CC2)CC1	1123871339	HVZQACAPEGPASQ-UHFFFAOYSA-N	320.658	3.685	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1ccc(Br)cc1	1330304273	DMNAHXMKATVFJM-CYBMUJFWSA-N	321.218	3.745	50	20	DHGD	
CCCn1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c(C)n1	1337682186	QVUYYFPPNFGLAJ-MHWRWJLKSA-N	322.412	3.764	50	20	DHGD	
COc1ccccc1[C@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347756352	YRGIVBNYYWVCDD-SLTAFYQDSA-N	321.848	3.809	50	20	DHGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)c1ccc([N+](=O)[O-])cc1	16406874	BBDNDTDAGWFFEI-FMIVXFBMSA-N	324.727	3.960	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2C)cc1	25922753	MRPUHHAIINQSFH-LDADJPATSA-N	320.392	3.617	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	33402387	MLIRBDPMWMQKMW-VBKFSLOCSA-N	304.349	3.688	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)N[C@@H](c1ccccc1)C(C)(C)C	103306338	JMNGAHKOXIALLK-HNNXBMFYSA-N	319.449	3.540	50	20	DHGD	
COc1cccc2cc(C(=O)NNc3cc(C)cc(C)c3)oc12	120970967	NSMCTOVHTMORCN-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
CC(C(=O)NNc1ccccc1Br)=C1CCCC1	153632483	LKHIZVDYHPHZCU-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccncc2Cl)cc1	154495830	RMNZCZPOOQBREO-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(F)c2)c(C)c1	158714976	VMYMHURAAQEWJL-RIYZIHGNSA-N	310.328	3.694	50	20	DHGD	
O=C(Cc1cccc(Cl)c1)NNc1cccc2cnccc12	178482766	QQPUADQHIBXSIW-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2cccc3cnccc23)c1	178497546	LOPFDXFNYWOSAY-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2o1	178548680	LSCNCGJGSQDVOU-PBTLCFMXSA-N	313.353	3.535	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)COc1ccccc1F	727254045	MIHZCVYGIHKHAZ-ZDUSSCGKSA-N	306.381	3.667	50	20	DHGD	
CCC[C@@H](C(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	730289300	KPBVHSKAVJAVIU-MRXNPFEDSA-N	319.408	3.684	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)CNc1ccc(C)cc1	730946244	NBMUZQUPCSGWDF-UHFFFAOYSA-N	315.442	3.593	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc3ccccc3n2)cc1	741456283	OJJYAYXSUTWYPL-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
CC(=NNC(=O)CCN1CCCCCC1)[C@@H](C)c1ccccc1	746368418	JKXRZMWQWOIQSA-MRXNPFEDSA-N	315.461	3.548	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)C1CCCCC1	746766532	FMJDJNUAYIZSSE-VIFPVBQESA-N	315.339	3.699	50	20	DHGD	
O=C(NN=Cc1ccc2ncccc2c1)c1cc2ccccc2o1	749817190	BSEBBUPGQMIPJL-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
COCCC(=NNC(=O)c1ccc(Cl)cc1Cl)C(C)C	756823009	GGEFSRMHEBSCTI-UHFFFAOYSA-N	317.216	3.772	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761584631	HXINXUCVLKMTJV-MNOVXSKESA-N	316.323	3.855	50	20	DHGD	
N#CSCCCNC(=O)C1(c2ccc(Cl)cc2)CCCC1	773584207	BSBCHIXZHPQMKI-UHFFFAOYSA-N	322.861	3.872	50	20	DHGD	
CCC[C@]1(C)CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	776667074	YFLXHHYFMIRFPG-KVVHSQDJSA-N	312.413	3.728	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCCOC2CCCC2)cc1	780820070	CTXWOODCLUOVQW-UHFFFAOYSA-N	319.449	3.569	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790100779	RLTKQJOAEBTGTR-PKNBQFBNSA-N	316.307	3.658	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)[C@H](C)c1ccc(Cl)cc1	794453521	QRIHEMKIKRCKHP-NSHDSACASA-N	315.804	3.832	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCCc2ccc(O)cc21	794496301	YINVJJSCDHBEKP-UHFFFAOYSA-N	309.369	3.563	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@H](c1ccccc1)C(C)C	794496616	YVPDOOFOLVHMLT-SFHVURJKSA-N	324.424	3.780	50	20	DHGD	
CCc1ccccc1OCCC(=O)NNc1cccc(Cl)c1	795020349	DALVEGXCPZULSR-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	797336389	CGQUNUIOXIAVGV-VKAVYKQESA-N	313.445	3.746	50	20	DHGD	
Cc1cccc(NC(=O)NNc2nccnc2C2CCC2)c1C	806087426	FQQSWQYTQDOTES-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)COc1ccccc1C(C)(C)C	808247817	QTBVXPKWWLZVDA-UHFFFAOYSA-N	318.244	3.625	50	20	DHGD	
Cc1csc(CCNCc2ccc(OCCCCl)cc2)n1	811474469	ZPVIZVAXTUPURD-UHFFFAOYSA-N	324.877	3.792	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)nc1Cl)c1ccc([N+](=O)[O-])cn1	812241269	BJZFGRGDNRJGOR-WEVVVXLNSA-N	321.123	3.756	50	20	DHGD	
Cc1sccc1C=NNC(=O)Cc1cccc2ccccc12	814792080	NSWAASMPKCXTOL-UHFFFAOYSA-N	308.406	3.903	50	20	DHGD	
CC(CCCc1cccnc1)=NNC(=O)CCCc1ccccc1	834953792	MDYFBYSWEDOGID-UHFFFAOYSA-N	323.440	3.919	50	20	DHGD	
COC1CCC(NC(=O)NNc2ccc(C(C)(C)C)cc2)CC1	838758923	UJKGWPMXFWPZQY-UHFFFAOYSA-N	319.449	3.568	50	20	DHGD	
Cc1nc(Cl)cc(NNC(=O)Nc2ccccc2C(C)C)n1	841596647	TZCWQFJMOFGJJE-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNc1cc(Cl)nc(C)n1	843910555	WJSSWVRXFDQSDO-LLVKDONJSA-N	310.829	3.654	50	20	DHGD	
N#C/C(=C/c1ccc(O[C@H]2CCOC2)cc1)C(=O)C1CCCC1	849180101	XAPRBNPGGQQBLJ-QMJOVRGKSA-N	311.381	3.521	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1	857499491	POFPSACDJDUDEJ-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C[C@H]2CC[C@H]1C2	858551515	IIAYSNZJSOAQRW-AMJWSMQMSA-N	323.780	3.518	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1cc(F)ccc1F	859458892	UESBGYCQJOFFHZ-VIFPVBQESA-N	319.145	3.543	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1cc(Cl)cc(Cl)c1	861296783	GFBICUIUPXPOKP-UHFFFAOYSA-N	300.189	3.766	50	20	DHGD	
N#C/C(=C/c1cccc2ncccc12)C(=O)NC1CCCCC1	871598479	QIXMBRQGIOFWJY-QINSGFPZSA-N	305.381	3.591	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@H]1F	872334694	JOPPLTRFEINBPN-GFCCVEGCSA-N	317.389	3.726	50	20	DHGD	
CCCCN([C@H](C)c1ccc(C)o1)S(=O)(=O)CCCCl	881840041	QYQANZFSJOKDOU-CYBMUJFWSA-N	321.870	3.710	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cnc2[nH]ncc2c1	1179698046	ACQKZCJYKGFWFE-LBPRGKRZSA-N	322.459	3.611	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1ccc(Cl)cc1F	1322773353	LGMNSLVNEDSMHG-UHFFFAOYSA-N	322.742	3.967	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1Cl)C1CCOCC1	1353089458	GQPSRYHNJCOUKK-AWEZNQCLSA-N	320.820	3.506	50	20	DHGD	
O=C(N[C@H]1CCC[C@@]12CCCCO2)c1cccc(CCl)c1	1550889206	HJAFRMKMPFZUPC-RDJZCZTQSA-N	307.821	3.647	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045613	ZWODTZYYFLJVBG-NSHDSACASA-N	305.378	3.709	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccccc1CCC(F)(F)F	122180796	XNKSHWSNFUEAAZ-UHFFFAOYSA-N	324.306	3.725	50	20	DHGD	
CC[C@H](C)[C@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	155709668	UKXYTUZKKNVGSG-KSSFIOAISA-N	307.397	3.831	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NNc1ccc(F)cc1F	158108340	CBVYKBYHCDNJPM-UHFFFAOYSA-N	304.340	3.677	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OCC3CC3)cc2)c1	159105532	MTRCCGICLRQPOX-UHFFFAOYSA-N	310.397	3.849	50	20	DHGD	
CSc1ccccc1C(=O)NNc1ccc(OC(F)F)cc1	179036592	HTGXYXHGFYLSBY-UHFFFAOYSA-N	324.352	3.767	50	20	DHGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	182051009	VWSUZDJIYQOOEX-XGHPXPSOSA-N	308.356	3.919	50	20	DHGD	
O=C(/C=C\c1ccc(O)cc1)NNc1cccc(C(F)(F)F)c1	255652509	SQOTYKOLGTVDTB-TWGQIWQCSA-N	322.286	3.568	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC=C(c2ccco2)C1	490941980	MRDSKHSBAKLKSG-WJDWOHSUSA-N	322.339	3.642	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)s1)NNc1cccc(Cl)n1	492885257	CQKONXFRXGXOMG-FNORWQNLSA-N	314.197	3.606	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1F	588618939	AQURVRNJDCIHBC-KAMYIIQDSA-N	316.376	3.532	50	20	DHGD	
CC(C)(C)c1csc(NC(=O)NNc2ccccc2F)n1	726873477	KKIVZMFEOYDZNN-UHFFFAOYSA-N	308.382	3.728	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)Cn2ccc3ccccc32)o1	729638428	LHAVKEDLMGTNKC-CZUORRHYSA-N	321.380	3.508	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	740490545	QQUCMNMUSUQHOZ-MYJAWHEDSA-N	315.339	3.555	50	20	DHGD	
CC1(C)C(C(=O)NNc2ccc(Br)cc2)C1(C)C	746412178	ZABAPIOKYGSEDR-UHFFFAOYSA-N	311.223	3.574	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccc(C#N)cc1)c1ccccc1	747050685	GHMLVBVKCATQQY-UHFFFAOYSA-N	305.381	3.738	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)C(C)C	747588540	MGUULVRNWWWCGI-ZDUSSCGKSA-N	318.339	3.600	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(-c3ccccc3)ns2)c1	749200951	BZDZLOPMXVPWHL-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@@H]1CCOc2ccccc21	752164423	HQBBFYWLMJHAAU-KRWDZBQOSA-N	322.408	3.678	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@H]1CC=CCC1	752979108	CUOPFELQGIKPHT-JTQLQIEISA-N	300.189	3.728	50	20	DHGD	
CC1(CNC(=O)CCCC[C@@H]2CCSS2)CCOCC1	753326196	OPKKKAXHBBXUAN-CYBMUJFWSA-N	317.520	3.633	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)c1ccco1	754153298	GVZDJCKPQLHPGN-MRVPVSSYSA-N	316.254	3.684	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cnc(C)s1	761261756	PXTKFQUCLOAGOV-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H]1c1ccccc1	767032529	NTEIMRCQYZSDPD-OLZOCXBDSA-N	310.235	3.770	50	20	DHGD	
Cc1ccc(CCCC(=O)OC[C@H](C)CBr)s1	770393961	XGCFJXDUSHXHPP-SNVBAGLBSA-N	319.264	3.953	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2cccc(OC(F)F)c2)ncn1	773175382	DMBYYKLJHVHZJW-WZUFQYTHSA-N	319.336	3.864	50	20	DHGD	
CC[C@@H](CSC)NC(=O)NNc1cc(Cl)ccc1Cl	775458150	JPXFVPYQZNOWLP-VIFPVBQESA-N	322.261	3.761	50	20	DHGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)C(=O)C1CCCC1	780153663	QJIKJDJAIWDISX-MFOYZWKCSA-N	323.371	3.737	50	20	DHGD	
CC(C)=CCCNC(=O)NNc1cc(C(F)(F)F)ccc1F	790523688	IGNZIIRYDQGRFN-UHFFFAOYSA-N	319.302	3.827	50	20	DHGD	
CSSCCNC(=O)NCCC(C)(C)c1ccccc1	790691976	VAIAVHSBZQATOU-UHFFFAOYSA-N	312.504	3.665	50	20	DHGD	
COC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCCCC1	791719087	FMNKPRPLBDIYFL-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
COC(=O)N(C)N=C(C)CCCOc1ccc(Cl)c(C)c1	794961463	TWNHGQPNWKPDMA-UHFFFAOYSA-N	312.797	3.882	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)CCc1ccccc1O	797402588	HWYWWCYPMDGOAA-KGLIPLIRSA-N	302.418	3.643	50	20	DHGD	
CSSCCNC(=O)N1CCCC[C@@H]1c1ccccc1	807230347	SZWWGXQYEZCPAX-CQSZACIVSA-N	310.488	3.934	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccnc(C(F)(F)F)c1	809730205	DSPKQBJBVHJZRG-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CC(C)N(C)C[C@H](C)NCc1ccc(OCCCCl)cc1	811512760	RUIAQSYSGZCZJO-HNNXBMFYSA-N	312.885	3.513	50	20	DHGD	
CSSCCNC(=O)NCCc1ccc(Cl)c(C)c1	812908956	BDKSTUTYSLLSGI-UHFFFAOYSA-N	318.895	3.501	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(F)cn1	814862677	PRDKJWZTBXOJIJ-UHFFFAOYSA-N	323.730	3.557	50	20	DHGD	
CCSCCC=NNC(=O)Nc1cc(OC)ccc1Cl	814991676	SNZYOLCVAFBUPX-UHFFFAOYSA-N	315.826	3.599	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2c(C)[nH]c3ccccc23)cc1	817908757	NLEBTYMHGCNRGI-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3oncc3c2)cc1	821028504	SWSKXGFTFBQHNS-RIYZIHGNSA-N	303.321	3.682	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2oc(C(C)C)nc2C#N)c1	824632378	GPMNVXBYEMHXRI-UHFFFAOYSA-N	312.373	3.550	50	20	DHGD	
CS[C@@H]1CC[C@H](NC(=O)NNc2c(C)cccc2Cl)C1	838495339	OTDZFLAZBVFMOC-WDEREUQCSA-N	313.854	3.559	50	20	DHGD	
CC(C)OCC(C)(C)NCc1ccc(OCCCCl)cc1	840973728	ODKDTEAQEHPFPV-UHFFFAOYSA-N	313.869	3.988	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1nc2ccccc2n1C	848379399	HDQSEORFQNGMML-UHFFFAOYSA-N	314.414	3.515	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CC(F)(F)C(F)F)C1	852524631	MTEGBLQYWKYZTD-JTQLQIEISA-N	315.427	3.983	50	20	DHGD	
Cc1ncccc1CCNC(=O)CCCC[C@@H]1CCSS1	890837188	PDVMZHIPDTYPAC-OAHLLOKOSA-N	324.515	3.763	50	20	DHGD	
C[C@]1(C(=O)N2CCC[C@H](c3ccccc3)C2)C[C@@H]1Br	908371659	DRTYVCGLOSFJQZ-DZKIICNBSA-N	322.246	3.566	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1ccc(F)cc1)c1ccccc1	915913851	DINQROHDOCRZAO-MRXNPFEDSA-N	301.365	3.993	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cccc(Br)c1	916248862	QHULYTURWMNHDF-UHFFFAOYSA-N	317.186	3.603	50	20	DHGD	
O=C(CCl)Nc1ccc2nc(Cc3ccccc3)oc2c1	1116439097	HOQLGAOWYMLDOM-UHFFFAOYSA-N	300.745	3.596	50	20	DHGD	
CC(CC(C)(C)C)=NNC(=O)c1ccc(Br)cc1	1344438265	MRCQWQXUJYIPCN-UHFFFAOYSA-N	311.223	3.991	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1605022547	SIIHARXREXVPPB-LBPRGKRZSA-N	322.380	3.574	50	20	DHGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNCCC(=O)O)c1	1776269082	HIMCPTCNFBIBFR-UHFFFAOYSA-N	309.482	3.635	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc(C)c1O	7156235	KIDGYCVDSQUKOQ-NTEUORMPSA-N	310.328	3.694	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)c2sccc2C)oc1C	55040734	RJWRHQWSAGUUFN-IZZDOVSWSA-N	315.350	3.534	50	20	DHGD	
CCC[C@H](C(=O)NNc1ncccc1Cl)c1ccccc1	114883763	ROFQTQDAFMVKQP-ZDUSSCGKSA-N	303.793	3.762	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(OC(F)(F)F)cc1	125190800	FNRHDDVVAIVLHG-UHFFFAOYSA-N	311.263	3.734	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCc1ccc(O)cc1	125207245	VNFASWBDNAPMHP-AWEZNQCLSA-N	311.472	3.723	50	20	DHGD	
O=C(CCc1ccccc1)NNc1ccc(OC(F)(F)F)cc1	134288212	JMWYPJSACWLFMW-UHFFFAOYSA-N	324.302	3.661	50	20	DHGD	
CCC(CC)(CC)CNC(=O)c1c(C)nn(CCCl)c1C	150903997	MHLIOXHZULKVSM-UHFFFAOYSA-N	313.873	3.685	50	20	DHGD	
Cc1ccc(CN(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)s1	177112753	JXMWILBHYMKDFX-CXUHLZMHSA-N	313.382	3.961	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccccc1Oc1ccccc1	182491709	GBYGHJRZQJPSTF-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	188067746	MMUNRWQZMMISKK-VBKFSLOCSA-N	306.365	3.890	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2cccs2)on1	192752598	PODHYXPGNBJMBC-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CCC(C)(C)NC(=O)c1ccc(NC=C(C#N)C#N)cc1Cl	193712958	BSTBRWDTSHVNBM-UHFFFAOYSA-N	316.792	3.601	50	20	DHGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)[C@H]1CCCOC1	279968807	DBUBAXMWAIKLEU-BUYRESAOSA-N	324.405	3.713	50	20	DHGD	
Cc1cccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c1C	731149168	MLESZJKZMDTPQW-UHFFFAOYSA-N	310.441	3.970	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc(Cl)cc1)c1ccccc1	731152402	FSECVWNEFHYZLT-UHFFFAOYSA-N	300.789	3.768	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNC(=O)CC(C)(C)C)C(C)(C)C	734536870	UWXXPJAHSFWXIH-CYBMUJFWSA-N	313.486	3.748	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1cc(F)c(F)cc1F	734551887	FRMBDKZLGWPSCI-GFCCVEGCSA-N	322.330	3.816	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)c2ccc(O)cc2)C(C)C)cc1	741451574	JUOINXLMYXBYGN-UHFFFAOYSA-N	310.397	3.685	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(N)=O)c(C)n1-c1ccc(C(C)C)cc1	747437748	WZEINJMYGFRHQM-LICLKQGHSA-N	307.397	3.610	50	20	DHGD	
Cc1c(NNC(=O)C2CCCCCCC2)cccc1[N+](=O)[O-]	748686718	VRJJOVXDFPJQCP-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CSCC(=NNC(=O)c1cccc(Cl)c1)c1ccccc1	749443374	DXKDWWWWMZWFER-UHFFFAOYSA-N	318.829	3.837	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1	749818358	UZBSGOUMVDYRGD-UHFFFAOYSA-N	322.364	3.986	50	20	DHGD	
CC1(C(=O)NNc2ccc(Br)cc2Cl)CCC1	750236338	PWHCUULQTCPVAT-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
CCC(=NNC(=O)CCN1CCCCCC1)C1CCCCC1	750934536	FLCUZPMAXUFBJM-UHFFFAOYSA-N	307.482	3.715	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(C(F)(F)F)ccc1F)C1CCC1	756732232	BRIGUCDKQXECTK-MRVPVSSYSA-N	319.302	3.659	50	20	DHGD	
CN(CCOCc1ccccc1)/C(=C/C#N)c1ccc(F)cc1	756899470	HVPJSHLPQCHCNX-YBFXNURJSA-N	310.372	3.839	50	20	DHGD	
CCC1(NC(=O)CCCC[C@@H]2CCSS2)CCOCC1	762394752	UHRYARZZAQWNOR-CYBMUJFWSA-N	317.520	3.776	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)C1CCCCC1	767713992	NULWQOCOLLKFQK-ATVHPVEESA-N	309.413	3.738	50	20	DHGD	
CC(C)(C)C1CCC(CC(=O)NNc2ccc(Cl)nn2)CC1	768117618	RAHKOHMXCUHUKX-UHFFFAOYSA-N	324.856	3.816	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1CCC(C(F)(F)F)CC1	770035045	YCAJWOZCJBJSBD-UHFFFAOYSA-N	321.730	3.547	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCCc1ccccc1	772185278	LXIAVINHURJYSF-NBVRZTHBSA-N	321.376	3.865	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C[C@@H]1CC=CCC1	773092705	BIRFIKVRTQAODK-QWHCGFSZSA-N	306.793	3.566	50	20	DHGD	
N#Cc1ccc(C(=O)/C=C\c2cnn(CCCl)c2)c(Cl)c1	788360904	OVTCWIXMEVYVOJ-RQOWECAXSA-N	320.179	3.543	50	20	DHGD	
C=CC[C@@H](C(=O)NNC(=O)Nc1ccccc1C)c1ccccc1	798313711	SFBKIZUUZLVOQS-MRXNPFEDSA-N	323.396	3.508	50	20	DHGD	
CO[C@H](COC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1	801861443	HGGXGAJABZHTQZ-XUDLPTGHSA-N	307.349	3.524	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1C(C)C)c1ccccc1	827184941	JVFFSGSTMKSZSK-INIZCTEOSA-N	324.424	3.765	50	20	DHGD	
CC(C)CC(CC(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	827650368	XCZRADMTJBFFPY-UHFFFAOYSA-N	322.840	3.758	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	833608597	NKUSWNNRAROHPQ-GHMZBOCLSA-N	324.808	3.698	50	20	DHGD	
C[C@H](C(=O)NCCCSC#N)c1ccccc1C(F)(F)F	854361347	BSVLIHBKPFRUOD-JTQLQIEISA-N	316.348	3.529	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)c1ccnn1C1CCCC1	855618560	KQGKLITXVFSNLI-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1nc2ccccc2s1	872438143	WZMPOBBUWWUVTC-UHFFFAOYSA-N	309.341	3.591	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@]1(C#N)CC12CCCC2	885126687	DDIRDWYCVOTDIV-MRXNPFEDSA-N	303.793	3.566	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)C)c1C	912709027	XCNWLGUJNWMTLV-YVLHZVERSA-N	301.434	3.584	50	20	DHGD	
C/C(C=NNC(=O)COc1cc(C)ccc1C)=C/c1ccccc1	916297647	CKDWZPPJPAHGAG-KGPYBUJSSA-N	322.408	3.888	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)c(O)c1	917555870	IDJDSWKIFMPJBM-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCCCCC(=O)C1	928337035	HWYPVPQRBVCVAS-LBPRGKRZSA-N	308.809	3.631	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccc(Cl)c(C)c2)C1(C)C	928339838	LDYJYEBBYJFVEE-OCCSQVGLSA-N	322.836	3.733	50	20	DHGD	
COc1cccc(C[C@H](C)CC(=O)N(C)CC(Cl)Cl)c1	936000349	KCZQRZCOUITNFO-NSHDSACASA-N	318.244	3.526	50	20	DHGD	
C[C@@H](NNC(=O)c1ccc(-c2cccs2)s1)C(F)(F)F	1329157709	PDGSOXGINDSXMX-SSDOTTSWSA-N	320.361	3.662	50	20	DHGD	
O=C(CCNc1ccccc1)NNc1cccc(C(F)(F)F)c1	1340916688	XSNHSAYQJBYRPZ-UHFFFAOYSA-N	323.318	3.651	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1603332905	RAVPFKAPYXQAEI-UHFFFAOYSA-N	310.369	3.574	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045843	NXQDTFNKJSKINP-GXTWGEPZSA-N	317.389	3.709	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3csc(C(=O)O)c3)[nH]c12	1777448229	DXGQJGRCFVZQKC-VZUCSPMQSA-N	309.350	3.695	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)ccc1O	1078836	PQONBCHZRVCIEN-OQLLNIDSSA-N	322.364	3.563	50	20	DHGD	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)CC(C)C)cc1	10598826	ZOYREFOBCXVNPN-UHFFFAOYSA-N	316.426	3.531	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	40868943	DCBAMSDRTPTIDO-PDGQHHTCSA-N	320.392	3.699	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	48332124	HPMQNZJBZHBHQH-PTNGSMBKSA-N	319.364	3.652	50	20	DHGD	
O=C(NN=C1CCCCCCC1)c1nnc(-c2ccccc2)o1	63423426	SVPDLFHSONHIOR-UHFFFAOYSA-N	312.373	3.567	50	20	DHGD	
C[C@@H](CCOc1ccccc1)C(=O)NNc1ccc(F)cc1F	72912229	FVIPDJWVRTUCFW-LBPRGKRZSA-N	320.339	3.513	50	20	DHGD	
Cc1ccc(C#N)cc1NC(=O)NNc1ccccc1Cl	92601468	MVWOSYFJCXQAFS-UHFFFAOYSA-N	300.749	3.669	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NNc1ccc(Cl)cc1	120148985	IPIUORNZBFSJQA-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
NCc1ccc(NC(=O)CCCC[C@H]2CCSS2)cc1	131828585	NWNCPJBBPHHYHS-AWEZNQCLSA-N	310.488	3.798	50	20	DHGD	
C[C@H](CBr)CN[C@@H](C)c1ccc(-n2cccn2)cc1	152794606	VSBRJTZMOKTSTP-OLZOCXBDSA-N	322.250	3.554	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CCCc2ccc(C)s2)c1	155955701	OFERDMSNDCHPRU-UHFFFAOYSA-N	322.405	3.670	50	20	DHGD	
CC(=O)c1ccccc1C(=O)NNc1ccc(C(C)(C)C)cc1	183179920	JMAKUGFWYPJKJA-UHFFFAOYSA-N	310.397	3.944	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cn1	191208170	DGMZKDJTNFDYJO-XNTDXEJSSA-N	308.341	3.510	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1OC	212128586	WSAPWZPMDWCJFJ-GDNBJRDFSA-N	307.349	3.802	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)c2nc(C)cs2)c1C	255289438	DNPXHDCSZXVTBT-SDQBBNPISA-N	315.398	3.637	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1ccc(Oc2cnccn2)cc1	255511857	OTBYUVVCNLNUBI-XNTDXEJSSA-N	307.353	3.791	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2cccc3c2CCCC3)C1	281163221	KSNPUBHZVCROJY-GOEBONIOSA-N	316.445	3.604	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1nc(Cl)cs1	490782888	LUHYAFRSWZAKBL-WDZFZDKYSA-N	317.801	3.959	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)/C=C\c2ccc(O)cc2)cc1	492615679	SYUDLDPIRRONQH-MLPAPPSSSA-N	310.397	3.846	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1c[nH]c2ccc(F)cc12	727683879	BCYRSWIGBWIGJM-UHFFFAOYSA-N	323.371	3.780	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1ccc(Cl)cc1Cl	730965722	FQCQHLPAXNNSQD-CUQRQBARSA-N	313.184	3.615	50	20	DHGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)c1cccc(C#N)c1	731927940	YFIDGVQNKPWNSQ-UHFFFAOYSA-N	305.381	3.605	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)CC2CC2)c1C	732643492	KQAGMJABMILIOH-WQRHYEAKSA-N	313.445	3.680	50	20	DHGD	
CC(C)(C)OC(=O)NN=C1CCCOc2c(Cl)cccc21	733743262	NCFDBGSQVQACEV-UHFFFAOYSA-N	310.781	3.741	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1nccc2sccc12	734249995	MBVDKWLFRVWYJZ-NWDGAFQWSA-N	303.431	3.956	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	734660787	AXEKPFSZGXZMIG-NOZJJQNGSA-N	315.339	3.699	50	20	DHGD	
N#C/C(=C/c1occc1Br)C(=O)Nc1ccccc1	735304889	QBGDXMIAWZEENL-NTMALXAHSA-N	317.142	3.588	50	20	DHGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](NC(=O)NNc1ccc(Cl)nc1)C2	745536829	GWIBNBSZTLGLEV-IETSOEAISA-N	322.840	3.576	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1Cl)C(F)(F)F	748019141	XNSPAUVDZRQZBJ-YFKPBYRVSA-N	301.095	3.635	50	20	DHGD	
N#CCn1c(C(=O)NNc2ccccc2Cl)cc2ccccc21	748314058	CNGINJRYEOMCGC-UHFFFAOYSA-N	324.771	3.575	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCCC(F)(F)F	751736586	AGRIOBMKTVMNOK-FMIVXFBMSA-N	313.275	3.575	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)NC1CCCCC1	753683176	OUDUQRMFIMDFOI-XYOKQWHBSA-N	306.768	3.835	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	761361980	SOPQFAGKZBQLCK-CYBMUJFWSA-N	321.490	3.693	50	20	DHGD	
CC(C)c1cccc2c1OCCCC2=NNC(=O)c1cccnc1	768485909	FHPVGPKEZCLFSM-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
CC[C@@H](C)[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768511700	BKEDLJTWBIEVAL-DYVFJYSZSA-N	322.412	3.836	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cccc2ccsc12	768713067	SPJLIXBTWOUSQI-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2nc3c(s2)CCCC3)c1	776266016	NOUCSYHEEYQWLD-RAXLEYEMSA-N	324.405	3.820	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1C	777899135	XPWDULXBQXELBH-NSHDSACASA-N	317.345	3.598	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1oc2ccccc2c1C	788187988	DIEVDOGWYGMZHI-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1c[nH]c2ccccc12	790142870	LEDJKAWIEQLQNC-UHFFFAOYSA-N	303.774	3.647	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNC(=O)c1ccc2ccccc2c1	793106541	YSEAGSSVWVWDIY-IBGZPJMESA-N	312.413	3.817	50	20	DHGD	
CCCCOc1ccccc1NC(=O)NNc1cccc(F)n1	806224325	DPVASWOZYOZWIY-UHFFFAOYSA-N	318.352	3.548	50	20	DHGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)ccc1F)C1CC1	807151976	RTZPEQLCWAUTED-UHFFFAOYSA-N	304.287	3.724	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)C1(F)CCCCC1	810021281	CEJHKDYCDMGTAF-UHFFFAOYSA-N	304.287	3.821	50	20	DHGD	
CSCc1cccnc1C(=O)NNc1c(C)cc(C)cc1C	810452443	PBLYTFVSJZJXNM-UHFFFAOYSA-N	315.442	3.627	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)[C@H]1CCCOC1	813129591	DNCKDIPVZUXKMZ-GJZGRUSLSA-N	319.449	3.560	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@@H](CO)c2ccccc21	814679263	PHLJDKSEWUNJIU-AWEZNQCLSA-N	307.510	3.604	50	20	DHGD	
CCCCNC(=O)NN=C1CCC(c2ccc(O)cc2)CC1	814817742	SLHBPIVUCYGPGJ-UHFFFAOYSA-N	303.406	3.505	50	20	DHGD	
CCOC(=O)NN=C1C[C@H](c2ccccc2)Oc2ccccc21	823245357	FIXPPPDUJYMWFF-QGZVFWFLSA-N	310.353	3.661	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cccc(C(C)(C)C)c2)c1	847603679	YWZKIWRRSIYWRY-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849177582	ACRFOCYNRPSFQO-FYXHJSOBSA-N	313.397	3.767	50	20	DHGD	
Cc1ccc(NC(=O)NCC(Cl)Cl)cc1OC(F)F	878731877	AWPFIYYMNNWKGT-UHFFFAOYSA-N	313.131	3.522	50	20	DHGD	
C=C(CBr)n1cc(-c2cccc(NC(C)C)c2)nn1	881315790	IXQGGPXABBFPTQ-UHFFFAOYSA-N	321.222	3.631	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cnn(CC(C)C)c1C	885124893	FXQZXRCYQMEYFM-UHFFFAOYSA-N	320.824	3.566	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(F)cc2Cl)C1	885137332	UOLLGXXIPXAORE-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H](c2ccncc2)C2CC2)cc1	899008293	MFSFXDJMIAMXSF-GOSISDBHSA-N	324.428	3.982	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(CC3CCC3)c2)cc1	899345499	NXHSUMCFZOGXKN-GIJQJNRQSA-N	305.381	3.782	50	20	DHGD	
CCC(CC)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	912722380	BYOJRBPQUONXJK-LICLKQGHSA-N	315.461	3.973	50	20	DHGD	
CO[C@@H]1CCCCC1=NNC(=O)c1ccc(C(C)(C)C)cc1	915946353	GUDTZUPZTUWGPD-MRXNPFEDSA-N	302.418	3.659	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1cc(C)oc1C	916271036	XFTXYWHQZWQTQA-UHFFFAOYSA-N	322.364	3.909	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1cccc(F)c1	916315370	OZCUJMNKBASJKI-UHFFFAOYSA-N	302.374	3.530	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccccc1OC(F)F	916362104	PEKTZLLPOKNIRW-UHFFFAOYSA-N	318.323	3.750	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Sc2ccccn2)cc1Cl	1116281285	PQFMXBHSCFLTSK-NSHDSACASA-N	321.833	3.667	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1ccc(C(F)(F)F)cc1	1340889982	INZRYDFUVLSQQX-UHFFFAOYSA-N	312.335	3.975	50	20	DHGD	
CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c(C)n1	1347734718	BVFHEKVYPMKXBE-YBEGLDIGSA-N	322.412	3.764	50	20	DHGD	
CCCCC1CCC(C(=O)NNc2ccccc2C(=O)O)CC1	1595661746	XGQIDFSEELQPHF-UHFFFAOYSA-N	318.417	3.825	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1cccc(F)c1C(=O)O	1595694862	JGSXZAMUCBGIPX-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
CC(C)N(N=Cc1cccc(F)c1C(=O)O)C(=O)OC(C)(C)C	1776110906	ZPOOFFZAWNHUEN-UHFFFAOYSA-N	324.352	3.503	50	20	DHGD	
N#C/C(=C\c1ccc(Br)s1)C(=O)c1ccco1	8200822	AXDMCWSHZVOQGX-SOFGYWHQSA-N	308.156	3.893	50	20	DHGD	
N#C/C(=C\c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCCC1	14178675	IJUQDAKIKBPWMW-FMIVXFBMSA-N	324.302	3.551	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	73053311	QFYUGXIZMWGQCE-YFHOEESVSA-N	301.289	3.769	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccccc1Cl)c1ccncc1	74437982	UOGMFTPRFHJSIC-ZDUSSCGKSA-N	304.781	3.512	50	20	DHGD	
N#CC(C#N)=CNCCOc1c(Cl)cc(Cl)cc1Cl	79383179	YXRDUGRAYYYESA-UHFFFAOYSA-N	316.575	3.546	50	20	DHGD	
Clc1cccc([C@@H](CBr)O[C@H]2CCOC2)c1	82454960	FSITWVPEAMHKIT-NWDGAFQWSA-N	305.599	3.582	50	20	DHGD	
CC(C)Oc1ccccc1CC(=O)NNc1ccc(Cl)cc1	120276949	RHJBJSREDNKAGD-UHFFFAOYSA-N	318.804	3.813	50	20	DHGD	
O=C(CCc1c[nH]c2ccccc12)NNc1ccc(Cl)cc1	120369806	FSGTXWCNBNKRKM-UHFFFAOYSA-N	313.788	3.897	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)nc1)NNc1cccc(Cl)c1	129229093	CWCFQYRVKWRDIK-FNORWQNLSA-N	308.168	3.545	50	20	DHGD	
COc1ccc(C)cc1NC(=O)NNc1ccc2ccccc2n1	153439551	JUYQQQMYJKKEDC-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)c(Cl)c2)cc1	155671162	RPADYLGZERWAHG-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
CC(C)OCc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1	158396741	XPCKUHPPTLFTKG-UHFFFAOYSA-N	324.384	3.632	50	20	DHGD	
O=C(NNc1ccccn1)Nc1cccc(CCC(F)(F)F)c1	180564384	VUALODHRQUTTCS-UHFFFAOYSA-N	324.306	3.725	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1	182255750	RHMJUXUMAXVYCP-GXDHUFHOSA-N	324.336	3.985	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2cccc(C)c2)cc1	188607494	YDPLSTUKYBULIE-BRYHAGSVSA-N	320.392	3.788	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1csc(COc2ccccc2)n1	193691730	ZYTIUIMOZAODFZ-MDWZMJQESA-N	312.394	3.854	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	255381264	LBVKSNPRQNEGMF-VZUCSPMQSA-N	314.282	3.524	50	20	DHGD	
N#CC1=CCN(C(=O)CC2(CSc3ccccc3)CC2)CC1	274670787	IANLHNJVCXRSLL-UHFFFAOYSA-N	312.438	3.631	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1ccc2c(O)nccc2c1	285737307	PHDVYKYYYKFJQU-LBPRGKRZSA-N	315.417	3.846	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCCC[C@H]1C(F)(F)F	293764241	URIIQOAJWRBMLW-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
CCOc1ccc(NNC(=O)C(C)(C)c2ccc(F)cc2)cc1	294250899	HBPUACLBKJIJHJ-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
N#C/C(=C\c1nc2ccc(F)cc2s1)C(=O)Nc1ccccc1	491107489	VOTKRPMHVNHJCQ-DHZHZOJOSA-N	323.352	3.981	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)ccc1C#N	491159422	IQSWHFJOSBCNIM-MXDDHBLUSA-N	315.376	3.651	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1c[nH]c2ccccc12)c1ccccc1	731933289	VSBSNUQCSTXFMF-INIZCTEOSA-N	305.381	3.812	50	20	DHGD	
O=C(COCc1ccccc1)NN=Cc1cccc2ccccc12	737437369	SHMSPLCHTGEOAX-UHFFFAOYSA-N	318.376	3.507	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1F	739044695	BBJJGYVUSSRGMJ-OAHLLOKOSA-N	323.318	3.881	50	20	DHGD	
COc1ccc2cc(C=NNC(=O)c3ccc(C)o3)ccc2c1	752174018	DJTZCAPZKZSHFF-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
O=C(CCCc1ccccn1)NNc1cc(Cl)ccc1Cl	752809796	BBLWMEFMNBTFPT-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
CC1(CC(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1	757969652	ZFKONVGMQXGBNG-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc(Cl)cs1	760462778	ICJODKJZERBQDR-UHFFFAOYSA-N	318.732	3.760	50	20	DHGD	
Cn1ccc2ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc21	767319689	MAFYAVPRZWQPDE-CYBMUJFWSA-N	323.234	3.926	50	20	DHGD	
CCC[C@@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768255065	ZTMOHNGSTXCHPY-VXGBXAGGSA-N	304.272	3.835	50	20	DHGD	
COCCC1(C=NNC(=O)NC2CCCCC2)CCCCC1	780196408	UDCZIBHOHUVRRP-UHFFFAOYSA-N	309.454	3.591	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NC(=O)NNc1ccccc1Cl	782837362	ITPHNQLOOSVGLX-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccccc1Br	786426800	JTYDUTQTUJOXRS-UHFFFAOYSA-N	323.190	3.922	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/C(C)=C/c1cccc([N+](=O)[O-])c1	787170580	ZXDLVGDVTZRNTL-XHWVFBAXSA-N	314.341	3.791	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccc(F)c2ccccc12	795099910	DCVVBZHGCNJEDM-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1cc(Cl)ccc1Cl	796588616	UVBNUESRYYRLIQ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1cc(C)c(C)o1	799879830	QXMRIXFTSCWDPE-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
O=C(/C=C/c1cccc(CCl)c1)c1cccc(-n2ccnn2)c1	806575843	NRCSQLPNDOYEMK-BQYQJAHWSA-N	323.783	3.902	50	20	DHGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NCC(Cl)Cl	808130481	AVKPTLGIVSZKFJ-UHFFFAOYSA-N	310.608	3.661	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccccc2F)CCCC1	808246611	GIPXOIGQRPLMBL-UHFFFAOYSA-N	318.219	3.900	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1csc2ccccc12	808248920	XAIHCZNQJZSUEO-UHFFFAOYSA-N	302.226	3.706	50	20	DHGD	
CCN(C[C@@H](C)OC)C(=O)CCCC[C@H]1CCSS1	812777208	ZGZMROJDBQNKDV-OLZOCXBDSA-N	305.509	3.584	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCC[C@@H]2C(C)(C)C#N)cc1	814998263	AYMHGCWJGXZRPD-AWEZNQCLSA-N	314.389	3.523	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1CC(c2ccc(F)cc2)C1	815852016	CYGLUINZPVZXEE-UHFFFAOYSA-N	320.314	3.741	50	20	DHGD	
CC(C)Sc1cc(Br)ccc1C=NNC(=O)O	833507980	DNJARUOLTWKRRM-UHFFFAOYSA-N	317.208	3.551	50	20	DHGD	
CCC1=C(C(=O)NNc2cccc(Cl)c2Cl)CCCO1	838351172	VXPJYKGZQOIBEV-UHFFFAOYSA-N	315.200	3.911	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)n(C)n1	841484903	DTFLXPORXNDRJZ-RVDMUPIBSA-N	307.397	3.816	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc2nonc12	847183318	YCEXNYCOSYCVCD-SNVBAGLBSA-N	323.443	3.875	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc3c2OC(C)(C)C3)c1	847602082	RGXUZXNHHUFSHB-UHFFFAOYSA-N	310.397	3.774	50	20	DHGD	
C[C@]1(CNCc2ccc(C(F)F)cc2)C[C@H]1Br	856808942	HAFXWEVUFGTRNF-DGCLKSJQSA-N	304.178	3.887	50	20	DHGD	
CC(C)(C)SCCCC(=O)NC[C@@]1(C)C[C@@H]1Br	857392367	BCBNDKXIUQRLQA-GXFFZTMASA-N	322.312	3.588	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)[C@@]2(C)C[C@H]2Br)c(C)s1	906068469	ZCDYZCDIYKOLDI-KDDOJWQBSA-N	316.264	3.716	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cccc(OC(C)C)c2)cc1	921256150	IFBAWQBQZVMSTO-UHFFFAOYSA-N	310.397	3.800	50	20	DHGD	
Cc1cnc([C@@H](C)NC(=O)NNc2ccc(Cl)cc2C)s1	921347445	OWPWGIWQYVBUMG-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)c1ccc(O)cc1	1317706925	GJNFDCJETIRZOD-UHFFFAOYSA-N	322.389	3.885	50	20	DHGD	
O=C1CCCc2ccc(OCCCCBr)cc2N1	2048532455	SNGVCAOQKDDDRS-UHFFFAOYSA-N	312.207	3.515	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1c(C(C)C)nn(C)c1Cl	44025848	STVPHCDRDMTTBF-XFFZJAGNSA-N	317.776	3.888	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1)c1nc(-c2ccncc2)cs1	60036970	LCBJTXJHQIUMIM-ZSOIEALJSA-N	305.362	3.975	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])sc1C	78470731	HOOIMUDQYPRGPN-UHFFFAOYSA-N	319.386	3.674	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc(-c2ccoc2)c1	89660191	YICWYBQQHDXRQD-UHFFFAOYSA-N	323.308	3.612	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1	112224627	ANUWPXLXWTZDLA-VBKFSLOCSA-N	312.413	3.783	50	20	DHGD	
COc1ccc(S[C@@H](C)C(=O)NNc2ccc(C)cc2)cc1	133017998	OVOMZGCMVQEIHK-ZDUSSCGKSA-N	316.426	3.628	50	20	DHGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1cc(C)ccc1C	158934999	PISNSPLSQDBOFO-MRXNPFEDSA-N	316.376	3.743	50	20	DHGD	
CN(c1ccccc1)c1ccc(C(=O)NNc2ccccc2)cn1	171861515	DGCMBLVBFTVFMY-UHFFFAOYSA-N	318.380	3.606	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Nc2ccccc2)cc1	178953262	XDHQVAAAGMISEC-BUHFOSPRSA-N	307.353	3.813	50	20	DHGD	
COCCCOc1cccc(/C=C(\C#N)c2nc(C)cs2)c1	193863661	OJKAJRDMJPIXLV-OQLLNIDSSA-N	314.410	3.931	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1cc(F)cc(F)c1	194538016	FFGSCDYTECSIEH-WEVVVXLNSA-N	320.276	3.724	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(Oc2ccncc2)c(C)c1	195213815	MNLBSQJFMGYLBF-WYMLVPIESA-N	323.352	3.565	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2ccccc2)cc1	254405804	KBKURFRZMSRNTL-UHFFFAOYSA-N	317.392	3.858	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)o1)C(=O)Nc1cccc2ccccc12	255116845	FKGMKXWZCCSESD-UVTDQMKNSA-N	313.316	3.850	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCCC2)c(C)n1CCC(C)C	255939915	OMGFVIDPECHTLG-PDGQHHTCSA-N	313.445	3.680	50	20	DHGD	
Cc1nc(CN2CC=C(C#N)CC2)oc1-c1ccc(Cl)cc1	272560341	BTRBNRNUQAKNCB-UHFFFAOYSA-N	313.788	3.959	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc2occc2c1	491084143	NGRAIQJOAWWYKH-PTNGSMBKSA-N	318.332	3.987	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)c2cccc(C)c2)cc1	727106552	GSRTVYJYVNTDIZ-GHRIWEEISA-N	320.392	3.964	50	20	DHGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cc(O)cs1	732258421	OAINCMDGCBKOSD-UHFFFAOYSA-N	322.389	3.636	50	20	DHGD	
COc1ccccc1-c1ccc([C@@H](C)NC=C(C#N)C#N)cc1	741649699	WWECQPALBBOGSK-CQSZACIVSA-N	303.365	3.944	50	20	DHGD	
Cc1ccncc1C(=O)NN(Cc1ccccc1)c1ccccc1	741881711	XVPPNUNYGLSXNS-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C	746511013	WMBJVBHHXWQRMO-MOKGIYGOSA-N	300.402	3.506	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)CCOc2ccccc2)c(C)c1	747059827	ZXOZLLIPKPLXHJ-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2cc(C)ccc2C)s1	748414867	XSNXJNBKUJCWPS-LBPRGKRZSA-N	319.430	3.614	50	20	DHGD	
CC(C)=C(C)C(=O)NNc1ccc(Br)cc1Cl	748785348	SXLYKSGWPDWMHM-UHFFFAOYSA-N	317.614	3.902	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(F)cc2C)cc1	750931180	NKVCHLTWLQTUPA-UHFFFAOYSA-N	316.401	3.685	50	20	DHGD	
C[C@@H]1CC(NC(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H](C)C1	752436916	AHDJJLBIFVZMAF-ZWFISZGWSA-N	300.377	3.674	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2cnnc3ccccc23)CC1	753793618	CBWLRTOVZIIXTC-HDJSIYSDSA-N	312.417	3.535	50	20	DHGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1cc(C(F)(F)F)ccc1F	754641988	UFUAKTHYAHDFNQ-GZMMTYOYSA-N	319.302	3.659	50	20	DHGD	
C[C@@H](CC=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	755462200	PVLOKJYEINMMQK-ZDUSSCGKSA-N	311.341	3.504	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1c[nH]c2cccc(F)c12)c1ccccc1	763364846	WKUXNQREGRTVCL-OAHLLOKOSA-N	323.371	3.951	50	20	DHGD	
CC(C)CCO[C@H](C)C(=O)NNc1c(Cl)cccc1Cl	763615439	DDGGSEDEKHGTLH-SNVBAGLBSA-N	319.232	3.888	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(C#N)c(C)c2)n1	766290393	QTFURSNBTGTKRO-AUWJEWJLSA-N	323.377	3.564	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@H]1C	767356556	UOIKEKMJKWPGNO-QWHCGFSZSA-N	311.385	3.884	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)c1ccc(F)cc1	785345698	RPLMJZGIKAIGIA-KWWJGWKXSA-N	323.323	3.547	50	20	DHGD	
COc1cc(NNC(=O)C[C@@H]2C[C@H]3CC[C@H]2C3)ccc1Cl	790187729	SDKNDCKIAYBVEF-SRVKXCTJSA-N	308.809	3.618	50	20	DHGD	
C=C(CBr)CN(CCC)Cc1ccc(C#N)cc1	791452090	XBTKENPSHHOBNX-UHFFFAOYSA-N	307.235	3.721	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2ncccc2C)c(C)c1	792257776	CBIWUGGAMQOEHI-UHFFFAOYSA-N	314.389	3.636	50	20	DHGD	
COc1cccc(C2(C(=O)NNc3cccc(Cl)c3)CC2)c1	795021581	ULGBOZZYLAAIGC-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
C=C(CBr)COC(=O)CCCc1sccc1C	795560858	BYZJCLFPBPEWNB-UHFFFAOYSA-N	317.248	3.874	50	20	DHGD	
O=C(NC[C@@H]1CCCC(F)(F)C1)NNc1ccccc1Cl	800718334	GRMZHYUPKMUSBX-SNVBAGLBSA-N	317.767	3.792	50	20	DHGD	
C[C@H](CC(=O)NNc1nccnc1C1CCC1)CC(C)(C)C	805460258	HTZUDMDJDXEXPB-GFCCVEGCSA-N	304.438	3.650	50	20	DHGD	
Cc1cc(NC(=O)NNc2ncccc2F)cc(C)c1Cl	806511634	JXLHIAUEIWZSML-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
COc1ccc(/C=C(/C)C(=O)NNc2ccc(C)cc2)cc1F	810044180	NQJBGJUJOIMWEI-RAXLEYEMSA-N	314.360	3.689	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	819502480	UXMUQQGQDFKANM-SCZZXKLOSA-N	302.205	3.658	50	20	DHGD	
CC(C)Sc1ccc(Cl)cc1NC(=O)NN(C)C1CC1	824174114	WWJNEVWHIWDYNA-UHFFFAOYSA-N	313.854	3.971	50	20	DHGD	
CN(CC1=CCSC1)Cc1ccc(OCCCCl)cc1	827806856	WVRFJVLDEXABSX-UHFFFAOYSA-N	311.878	3.799	50	20	DHGD	
Cc1ccncc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	838676742	SUNAQLHMQORBMC-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)C(=O)OC(C)(C)C	840461780	FTUYTDMHGUXTCI-CYBMUJFWSA-N	320.433	3.539	50	20	DHGD	
Cc1cc(F)c(/C=C(/C#N)C(=O)[C@H]2CCCOC2)c(Cl)c1	840719602	LGBYIWQKPAWMEB-ZWIPKHHJSA-N	307.752	3.690	50	20	DHGD	
CO[C@H](CNC(=O)CCCC[C@@H]1CCSS1)CC(C)C	841443932	KHELEPVYNKGLFJ-UONOGXRCSA-N	319.536	3.878	50	20	DHGD	
C[C@H](O)CCCN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844337893	VXMAYUHFXCOKGK-GJZGRUSLSA-N	301.547	3.634	50	20	DHGD	
CCc1nnc([C@H](C)N(C)CCO[Si](C)(C)C(C)(C)C)o1	844343114	CCKCMXSNMDUHTI-LBPRGKRZSA-N	313.518	3.647	50	20	DHGD	
CCn1ccc(COC(=O)CCCC[C@@H]2CCSS2)n1	845079034	CFUAXRHBWUKLEH-CYBMUJFWSA-N	314.476	3.660	50	20	DHGD	
CC[C@@](C)(C#N)C(=O)NNc1ccccc1Cc1ccccc1	846461037	JSPSYJAOTHTBGU-IBGZPJMESA-N	307.397	3.660	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(C(F)(F)F)s1	848083027	HIPOHVZXOXFQRK-UHFFFAOYSA-N	306.136	3.643	50	20	DHGD	
C[C@@H](CBr)COC(=O)CC[C@H]1CC1(Cl)Cl	849875327	GZWBIQMDTQEGDT-YUMQZZPRSA-N	318.038	3.535	50	20	DHGD	
CC(C)(CC(=O)NNc1ccnc(Cl)c1)c1ccccc1	855469287	ZHQQAEDUYQKLLT-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1nc2ccc(Cl)cc2s1	856235199	SRLIHFZHLQHCPU-CQSZACIVSA-N	309.822	3.995	50	20	DHGD	
C[C@]1(CNCc2ccc(OC(F)F)cc2)C[C@@H]1Br	856806256	CNUDGEYPXZVMJJ-WCQYABFASA-N	320.177	3.551	50	20	DHGD	
Cc1ccc([C@H](C)NC[C@]2(C)C[C@H]2Br)c(O)c1C	857083770	ZTQWKYQUNFGRSS-LNSITVRQSA-N	312.251	3.833	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1cccc(F)c1Cl	862509646	NYICFTRGDAKYES-ZDUSSCGKSA-N	314.788	3.660	50	20	DHGD	
COc1cc(F)cc(OC)c1/C=C(\C#N)C(=O)C1CCCC1	865222069	NSUMVXRBVDZDJA-KPKJPENVSA-N	303.333	3.509	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)cc2F)C1	885106691	FSVXQTCYJNWXJX-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CCCSCC(C)=NNC(=O)c1cccc(OC(F)F)c1	901189701	OUXWDPMIJRPTIW-UHFFFAOYSA-N	316.373	3.537	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2c(C)cccc2Cl)c(C)n1	909213987	NBYOAYMEOZVOLJ-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
Cc1cc(OC(=O)/C=C\c2ccccc2F)ccc1[N+](=O)[O-]	917367981	GHIFURDUDLSSIS-TWGQIWQCSA-N	301.273	3.661	50	20	DHGD	
Cc1csc(CCCC(=O)NNc2ccc(Cl)c(C)c2)n1	928340213	URJXTFZGIFYNIG-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
CC(C)Oc1cc(O)ccc1NC(=O)C1CCC(Cl)CC1	1123852202	JKOUJLNOXCDTRE-UHFFFAOYSA-N	311.809	3.916	50	20	DHGD	
Cc1ccc(C2CCN(C(=O)C3CCC(Cl)CC3)CC2)cn1	1263774906	OAUHYYKUQFUAQS-UHFFFAOYSA-N	320.864	3.894	50	20	DHGD	
CCCCCCCC(=O)NNc1cncc(Br)c1	1319627966	YYDDWCPOWGABNG-UHFFFAOYSA-N	314.227	3.648	50	20	DHGD	
O=C(/C=C\C1CCCCC1)NNc1cc(C(F)(F)F)ccn1	1326573754	PQNUNIKEFVSNMT-SREVYHEPSA-N	313.323	3.680	50	20	DHGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)CC1CCCC1	1338130588	DHPCRIBMTRGWEC-GFCCVEGCSA-N	300.402	3.608	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)c1cccc(C(=O)O)c1)c1ccccc1	1776095480	AHLQQUQTCCRCAI-KRWDZBQOSA-N	324.380	3.540	50	20	DHGD	
N#CC(C#N)=CNc1cc(C2CCCC2)nn1-c1ccccc1	15241270	NMGAGBVSKHULSE-UHFFFAOYSA-N	303.369	3.873	50	20	DHGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)Nc1ccccc1	16411207	AXKGENBTEOOUBE-ZRDIBKRKSA-N	322.755	3.533	50	20	DHGD	
C[C@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1	20190755	NNGQNZCHKQXNKI-ZDUSSCGKSA-N	323.845	3.507	50	20	DHGD	
CC(C)Oc1ccc(Cl)cc1C(=O)NNc1ccccc1	111551911	JDVBIPFAFVUVFO-UHFFFAOYSA-N	304.777	3.884	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cc(F)cc(F)c1	151238258	ZCFQPKKEZBALRA-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1c(F)cccc1F	156604348	HDIRYPKYUOQGPG-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
Cc1[nH]c2ccccc2c1CC(=O)NNc1ccccc1Cl	158530873	CKRJPRGIJHZFPU-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1ccc(C#N)cc1	161095065	QMQQXNBBKTYFGA-GFCCVEGCSA-N	313.788	3.534	50	20	DHGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)c1ccc([N+](=O)[O-])cc1	255679026	VSFJRUNKNOCBHQ-WZUFQYTHSA-N	302.236	3.643	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)s1	255773767	QPQSETHZXLPUEG-MDWZMJQESA-N	311.362	3.618	50	20	DHGD	
Cc1cc(C(=O)NNc2nccc3sccc23)c(C)s1	734248510	UXTOQZUSDLXWSX-UHFFFAOYSA-N	303.412	3.732	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cc(F)cc(F)c1	755657457	OBSRALXZZWDDET-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CCCCN1C1CCCC1	764114343	FQUVLDGDFSUFHP-INIZCTEOSA-N	321.852	3.580	50	20	DHGD	
CC1(C)C[C@@H](NC(=O)NNc2cccc(C#N)c2)c2ccccc21	770438721	QPIWITIIOWSRPY-QGZVFWFLSA-N	320.396	3.607	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)C12CCC(CC1)C2	779200412	BPIWMEURKXBGGI-UHFFFAOYSA-N	314.307	3.609	50	20	DHGD	
Cc1ccccc1[C@H](C)OC(=O)/C(C#N)=C/c1ccc(O)cc1	784019404	FZJAVQRDJSRBFO-LUYJPIOASA-N	307.349	3.912	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1ccc(C#N)cc1	785361257	HQMOEDSKPAIVAN-BGARDKSCSA-N	302.333	3.770	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCC2(CCCO2)CC1	788019970	GHZOZKUYINLWDT-UHFFFAOYSA-N	314.429	3.605	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788994181	GVYNRBGZIPRBSW-JTQLQIEISA-N	321.833	3.960	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	795118480	CQETWVPPFCRJPX-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C)cc(Cl)c1	795552416	LWYMLVJMKQENOZ-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
C=C(CBr)COC(=O)C[C@@H](CC#N)c1ccccc1	795981741	OOGLHKLCVJVQME-CQSZACIVSA-N	322.202	3.568	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNc1ncccc1F	804212039	DLWQQUQVOFOJKJ-CQSZACIVSA-N	307.413	3.906	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nccnc2C2CCC2)cc1C	806088182	NSUJXCSOVOTHGM-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C[C@H](C)C1CCCCC1	814718148	KXAXPFSWGCWQIW-ZDUSSCGKSA-N	312.417	3.575	50	20	DHGD	
CC(=NNC(=O)CSc1ccccc1O)C1CCCCC1	814968527	HNPOHMIDQUQJOD-UHFFFAOYSA-N	306.431	3.557	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)CSc2ccccc2O)C1	814968820	NKKQKGJTTFBEFU-LBPRGKRZSA-N	306.431	3.557	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2sccc2C)cc1	814997947	MPUHLIYADBCHKY-UHFFFAOYSA-N	303.387	3.611	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNc1ccccc1	825131045	OTISZLOSXCURTN-OIISXLGYSA-N	304.434	3.607	50	20	DHGD	
O=C(NNc1ncc(F)cc1F)Nc1ccc(C2CCC2)cc1	836571437	MKEGEFPYUMQYMA-UHFFFAOYSA-N	318.327	3.776	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2C[C@H]2c2ccco2)cc1	840485686	VFZFQJMHWDOISQ-HUUCEWRRSA-N	313.401	3.759	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(c2)CC(C)(C)O3)c1	843830690	JPYPXCDZCSRYRB-UHFFFAOYSA-N	310.397	3.774	50	20	DHGD	
CO[C@H](C=NNC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	853311570	UTPQBGRVWAROAA-GOSISDBHSA-N	323.396	3.886	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1cc(F)cc(Cl)c1	855620196	OEEPYORHQNZLPX-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
C[C@H](C(=O)NNc1nc2ccc(Cl)cc2s1)C1CCC1	856235536	AMDZLYXTICWCLU-QMMMGPOBSA-N	309.822	3.829	50	20	DHGD	
Cc1cc(C(=O)NNc2c(C)cccc2C(C)C)cnc1F	857719409	CRVLTVFSKLWWAI-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
CCC[C@H](OCC)C(=O)NNc1cc(Cl)ccc1Cl	860321403	PTSITDDSUKLBJN-LBPRGKRZSA-N	305.205	3.642	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(Cl)cc2F)CCO1	885107633	MILPEZHJZWDJLU-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2cc(Cl)ccc2C)n1	885123941	KNLCYGUASXXOSF-ZDUSSCGKSA-N	320.824	3.556	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C)c(C)cc2C)c(C)c1	916358433	RUIKYGXPBALFNJ-UHFFFAOYSA-N	323.440	3.791	50	20	DHGD	
CCCCC[C@H](C(=O)NNC(=O)c1ccccc1Cl)C(C)C	1322458374	ZUWCQUXKQJPARC-ZDUSSCGKSA-N	324.852	3.954	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc2c(c1)CCC2)c1ccccc1	1323269548	PCETXGDUKASIGQ-IBGZPJMESA-N	306.409	3.819	50	20	DHGD	
CCCC[C@@H](CCC)CNC(=O)NNc1cccc(C(=O)O)c1	1595632682	MVJVDIIGSNTIRD-CYBMUJFWSA-N	321.421	3.617	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C1(c2ccccc2)CCC1	52604474	BAKSTVISASXVRU-UHFFFAOYSA-N	300.789	3.905	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@@H](C)C2)c1C	69197619	NZBCNUOZZYUSBU-JVVDOCDTSA-N	313.445	3.680	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccccc1N1CCCC1	91991142	UIZJMWFJJNKKFI-UHFFFAOYSA-N	314.364	3.575	50	20	DHGD	
O=C(CC[C@@H]1CCCCO1)NNc1ccc(Cl)cc1Cl	151910632	ZEDQPSKATNYMPZ-NSHDSACASA-N	317.216	3.786	50	20	DHGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1cccc(F)c1	154320177	ZVOZZCNEVLSGCQ-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Cc2ccccc2F)c1	158767733	SOXVXSCQPHMVAO-AWEZNQCLSA-N	300.377	3.764	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1cccc2cnccc12	178515602	FGVSJMKSUDAXCL-HUUCEWRRSA-N	323.421	3.852	50	20	DHGD	
CN(CC(F)(F)F)C(=O)CCCC[C@H]1CCSS1	194154220	FXYYUYRVSMFZLR-VIFPVBQESA-N	301.399	3.721	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c(C)noc3C)c[nH]c2c1	194581062	YJGUFEIVGKBTDE-NTUHNPAUSA-N	305.337	3.871	50	20	DHGD	
CCc1c(C(=O)NNc2ccccc2Cl)cnn1C(C)(C)C	269586324	NDUKJPJWUAHSIV-UHFFFAOYSA-N	320.824	3.611	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1	588477432	TUMHZOFJBPKKMV-GRSHGNNSSA-N	322.383	3.674	50	20	DHGD	
O=C(NN=Cc1cccc(OCCCc2ccccc2)c1)C1CC1	731923435	LFLSEEAJGWKMCW-UHFFFAOYSA-N	322.408	3.558	50	20	DHGD	
CCCC[C@@H](CC)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	732652893	VEKYXZDNSYLWMN-LLVKDONJSA-N	323.345	3.503	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1	733212916	DACDJVSQFFFNSF-QGZVFWFLSA-N	316.445	3.834	50	20	DHGD	
Cc1ccc(CSCCNC(=O)NNc2ccccc2)cc1	734264042	SAQZWSFJUPXPLY-UHFFFAOYSA-N	315.442	3.555	50	20	DHGD	
C[C@H](CC(=O)NNc1ncccc1C(F)(F)F)c1ccccc1	740097784	QRUXZARIFVSSOM-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cc2ccccc2o1	749823480	LBLCIYRRVUMRRJ-KBXIAJHMSA-N	308.381	3.975	50	20	DHGD	
CC(C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])=C1CCCC1	753584583	RWCFMMSFTREHJD-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
N#CCc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	759654314	BBUIFLIVJQNULR-UHFFFAOYSA-N	319.286	3.528	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)c2ccc[nH]2)c1C	760737897	IYDPXQFZOIBNEW-RQNDZEIBSA-N	324.428	3.627	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC(C)(C)C[C@H]2C)cc1	766015013	WERHCYZOXYBGPI-CYBMUJFWSA-N	302.418	3.556	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(Cl)cn1	766746732	RGTPFIHTSYSUQB-JTQLQIEISA-N	320.614	3.588	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@H](C)[C@H](C)C1	767387223	YNSJIACDRJPAHR-QWHCGFSZSA-N	320.458	3.716	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCc2c(-c3ccccc3)cccc21	768532616	MVUSZTUGXRRJBS-PEZBUJJGSA-N	318.376	3.687	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1sccc1O	769781317	ZJDYORYOGSUQBN-UHFFFAOYSA-N	310.378	3.761	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2c(C)cccc2F)cc1	771303123	XSPGNNZNOOCIFR-CYBMUJFWSA-N	301.365	3.830	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	776190116	NYFURGOJNXSCJP-RAXLEYEMSA-N	319.364	3.953	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1ccc(F)cc1F	777136789	BFKWNFTWWAKAPE-UHFFFAOYSA-N	320.364	4.000	50	20	DHGD	
Cn1c2ccccc2c2cc(C(=O)N3CC=C(C#N)CC3)sc21	780689347	ZOLXOATUKFMWAO-UHFFFAOYSA-N	321.405	3.689	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)[C@@H]1C	781125726	STBFDPDIJVDEOC-GHMZBOCLSA-N	316.430	3.680	50	20	DHGD	
C=C(CBr)CN(C)[C@H](C)c1cc(F)ccc1F	791450636	ZWEFUKQGTJDRCQ-SNVBAGLBSA-N	304.178	3.909	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cc(-c2ccccc2)on1	794779088	FQQWJKBCRXCRTB-UHFFFAOYSA-N	323.352	3.673	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)C2CCCC2)c1	794944436	GTCNNYXSLUIQIN-ZROIWOOFSA-N	317.772	3.793	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](CC)OC1CCCCC1	795551466	QEYJORXPMCEVOK-ZDUSSCGKSA-N	319.239	3.609	50	20	DHGD	
CCc1occc1C(=O)NNc1cc(C(F)(F)F)ccc1F	797748714	RMRQSXZRCGTKEW-UHFFFAOYSA-N	316.254	3.757	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C(C)(C)C1CCCC1	805379289	AQBMVBSFQYRDCF-UHFFFAOYSA-N	305.378	3.563	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc2[nH]ccc2c1)c1ccccc1	811642207	ITWUMUDSOLCFPZ-QGZVFWFLSA-N	305.381	3.812	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	812240345	MEXZZZIKDYIRTQ-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ncoc1C(C)C	812765003	RMDDSLPHKDQODN-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c(C)c3ccccc3n2C)cc1	814745289	PEOUGBNKFJBDFS-UHFFFAOYSA-N	319.408	3.813	50	20	DHGD	
C=CCCNC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	820762024	VXGGGIXUNGTXMF-UHFFFAOYSA-N	307.703	3.561	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCCCC1(F)F	826589933	MJBQWCACTLXPSM-SECBINFHSA-N	306.715	3.748	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(\C#N)C(=O)C1CCOCC1	834437815	BPMKRVWIUADXGK-WOJGMQOQSA-N	321.376	3.751	50	20	DHGD	
C=CCNc1ncc(C(=O)NNc2ccc(C(C)C)cc2)s1	839788904	QJYILNSJLLOERO-UHFFFAOYSA-N	316.430	3.621	50	20	DHGD	
Cc1ccnc(NNC(=O)C2(Cc3cccc(Cl)c3)CC2)c1	879123969	NXDOTFNXAJLRNS-UHFFFAOYSA-N	315.804	3.509	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCOC2(CCCCC2)C1	884402886	LHOPQAYCMRBOMC-UHFFFAOYSA-N	300.402	3.594	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(Cl)cc2F)cc1C	885108130	WOAMQECMLIPOMZ-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1ccc(N)cc1	915976553	MASVBRVNAJWUMP-UHFFFAOYSA-N	317.392	3.505	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccc(C)cc1C	916279062	MSEITJAKIFDQAS-UHFFFAOYSA-N	309.413	3.523	50	20	DHGD	
Cc1ncc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)s1	917537490	BNLIMPJDPYTWMK-UHFFFAOYSA-N	301.415	3.513	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc(C(C)C)oc2C)cc1Cl	1117377104	PDRRNGTWKKGOEG-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccn1C1CC1)c1ccccc1	1117944642	JZEXGTCDUMPHQO-QXPQOBGOSA-N	305.381	3.607	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1)c1ccccc1Cl	1340910574	IVECBOVMYIMPCI-YEYGOYOGSA-N	302.736	3.908	50	20	DHGD	
CC[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C1CCC(C)CC1	1594737529	XMQBSYQDMMOVKM-SEEARECTSA-N	318.417	3.680	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(Cl)c(OC)c(OC)c1	7208267	VJRKTZUREMMUNI-KPKJPENVSA-N	323.776	3.607	50	20	DHGD	
Cc1cccnc1NC(=O)NNc1ccc(Cl)cc1Cl	49027625	KVWYMUMHBBZUCT-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCc1ccc(/C=C(/C#N)S(=O)(=O)c2ccc(C)cc2)cc1	96669451	KQZJXFCHWZTMMO-PDGQHHTCSA-N	311.406	3.896	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1OC(C)C	160865025	GXXFGNKQSIUTQI-UHFFFAOYSA-N	302.349	3.678	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)CC(C)C)cc(Cl)c1O	171020271	IVFWGWJSHFDHDO-WUXMJOGZSA-N	307.777	3.966	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCc2ccc(C#N)cc2)cc1	181116726	VBJFAQVRKQNXJW-UHFFFAOYSA-N	321.424	3.932	50	20	DHGD	
C[C@H]1CSCCN(C(=O)CCCC[C@H]2CCSS2)C1	191320597	QIUXYCMOASQCOO-OLZOCXBDSA-N	319.561	3.912	50	20	DHGD	
Cc1cc(O)c2nc(/C=C/c3cnn(CCCl)c3)ccc2c1	191377856	MHDUXJRKMFWOPF-DUXPYHPUSA-N	313.788	3.855	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	211500865	NFMMDYZTNPGUEH-QBFSEMIESA-N	312.344	3.909	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1OC	213511605	XNVADIWNEKQGMZ-UVTDQMKNSA-N	311.312	3.633	50	20	DHGD	
O=C(NN=Cc1ccc(Sc2ccccn2)o1)c1ccccc1	254305422	GXGIEUFHYHBKET-UHFFFAOYSA-N	323.377	3.590	50	20	DHGD	
N#C/C(=C\C1=Cc2ccccc2OC1)c1ccc([N+](=O)[O-])cc1	255621000	KPGDXHMJGWMBMC-MHWRWJLKSA-N	304.305	3.978	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCCC(F)(F)C1	282473183	LTTHKBFLEFGMID-ZDUSSCGKSA-N	308.372	3.834	50	20	DHGD	
CSSCCNC(=O)C[C@@H](c1ccccc1)C(F)(F)F	284073079	MBDFKEKJWZAXAL-NSHDSACASA-N	323.405	3.850	50	20	DHGD	
O=C(NNc1ccc(Cl)nn1)Nc1cccc(C2CCC2)c1	292029196	KNNIRNMOOHTFJV-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C(C)C)nc1C	293457325	SYWFFVQZSAIFJP-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
C[C@H](CBr)CNC1(c2ccc(Cl)cc2)CC1	381308122	KMMWHZRXWNEZBJ-SNVBAGLBSA-N	302.643	3.950	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c(F)ccc(O)c2F)c1	490697951	RDZUGFZYQIFXIX-DHZHZOJOSA-N	314.291	3.525	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccsc2)cc1	490702337	YRPUHXFDJIQMMQ-KMHUVPDISA-N	312.394	3.541	50	20	DHGD	
CCOCc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	490878738	PUSGXOLLWFPLNU-MHWRWJLKSA-N	324.355	3.908	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	726593714	ADGDUOYDSJMVCC-UROBUVALSA-N	323.352	3.908	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cccc(C)c2C)c1	731155469	HNNOOMYRCCLAGM-MHWRWJLKSA-N	306.365	3.858	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccc3ccccc3n2)o1	732762558	JPWHWVVAMCRVEF-DOMZBBRYSA-N	319.364	3.715	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(Cl)nc2)cc1Cl	743818294	RDECLZIBBZUQIX-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
COc1ccc(NNC(=O)C[C@@H](c2ccccc2)C(C)C)cc1	746882059	GSXJJLRLYIASTL-GOSISDBHSA-N	312.413	3.968	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCCCc2ccc(O)cc2)cc1	749267734	LIAVSAJPPGVRQY-UHFFFAOYSA-N	323.396	3.510	50	20	DHGD	
COc1ccccc1C(=O)NN=C[C@@H](C)c1cccc(Cl)c1	763364631	SPDRGXFQNLYWCI-GFCCVEGCSA-N	316.788	3.868	50	20	DHGD	
CCc1nc(NC(=O)NNc2ccccc2Cl)sc1C	770049117	OUOHAELNTKHFLD-UHFFFAOYSA-N	310.810	3.816	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cnc2c(c1)CCCC2	771193846	HTZLTIMEPLBWHP-UHFFFAOYSA-N	314.364	3.557	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2c(C)cccc2F)c(C)c1	771301327	GUNXADJXYCZUIR-UHFFFAOYSA-N	301.365	3.577	50	20	DHGD	
COc1cccc2cc(C(=O)NNc3c(C)cccc3F)oc12	771699100	UMONWGVOZYJXJU-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	775887366	OHMHVLQEPRPVPI-IINYFYTJSA-N	318.314	3.970	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2cccc(Cl)c2)cc1C	778224647	BYHVLGAENZSPTG-SNVBAGLBSA-N	306.797	3.573	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1ccccc1OC(F)(F)F	779200680	GTPVMKZFLVBBBD-VIFPVBQESA-N	322.352	3.560	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cn1	780146879	ITCKUPXBUURTJS-NTEUORMPSA-N	317.348	3.670	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2cc(F)cc(F)c2)cc1Cl	783939422	QBHOOSOOYYUOKL-UHFFFAOYSA-N	322.702	3.638	50	20	DHGD	
Cc1ccc(OCCOC(=O)/C(C#N)=C/c2ccccc2)cc1	785362601	FNFFMZDOAOWVPL-GHRIWEEISA-N	307.349	3.524	50	20	DHGD	
CCCN(N=C1COc2ccc(F)cc21)C(=O)OC(C)(C)C	794997508	UPHLTKWDNJDTCA-UHFFFAOYSA-N	308.353	3.569	50	20	DHGD	
Cc1ccnc2ccc(C(=O)NNc3cccc(Cl)c3)cc12	795020351	DBPGLHLOVAZYLM-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1sccc1C1CC1	805373313	VQQLHPCNGGFPSW-UHFFFAOYSA-N	317.370	3.599	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H]2CCCCC23CCCC3)nc1	812930559	OKANOLGSNYGYJM-AWEZNQCLSA-N	302.422	3.519	50	20	DHGD	
C[C@H](C=NNC(=O)COc1ccccc1F)C1CCCCC1	814722739	NKOVWKNRUCNTAP-CYBMUJFWSA-N	306.381	3.523	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(F)ccc2Cl)cc1	817920970	DSMVXGPDVVVNRW-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc3c2CCCC3)cc1	832862176	PPKFOEFMADXQHK-UHFFFAOYSA-N	310.397	3.721	50	20	DHGD	
Cc1cc(/C=C(\C#N)n2c(C(C)C)nc3ccccc32)n(C)n1	841487204	ORVAARDLJJXVII-XNTDXEJSSA-N	305.385	3.723	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1OC	846644178	VJWGGSVMUXCHGP-AWEZNQCLSA-N	316.376	3.546	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)c1	853302747	GSPYDUKCSYHVJS-OCCSQVGLSA-N	323.318	3.643	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(Cl)n2)cc1C	854603934	OOZADOZLTZRBRK-UONOGXRCSA-N	315.804	3.599	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(Cl)cn1	856093955	SEHDHBHAOPHILF-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2nc(C(C)C)c(C)s2)cc1F	856228567	XSHAYWXGKMJNSP-UHFFFAOYSA-N	321.421	3.708	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(Cl)nc1)c1ccccc1	915973287	JASRPKFLVRNPJG-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C/C(C)=C\c1ccccc1	916303941	VTBXXLNMCGMRHR-QJMCSQRZSA-N	322.408	3.833	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)CC(C)C)c(Cl)c1Cl	1320428712	DPFHZAKFSHECEB-UHFFFAOYSA-N	318.204	3.501	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H]([C@H]2CCCCO2)C1	1335982592	SOOLEWTUIVNUCK-DLBZAZTESA-N	321.848	3.847	50	20	DHGD	
C#CC[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	1343308486	HARLZXMOHFZUFA-BRYHAGSVSA-N	312.413	3.767	50	20	DHGD	
Cn1nc(C(C)(C)C)cc1NC(=O)c1cccc(CCl)c1	1346799329	MSQSAJVACOPPMH-UHFFFAOYSA-N	305.809	3.709	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(/C=C\C(=O)O)o2)c1C	1777443720	NGTAKBOXKMLHGE-GWUHCMQSSA-N	321.332	3.784	50	20	DHGD	
COc1ccc2cc(/C=C(\C#N)C(=O)NC3CCCC3)ccc2c1	14178500	GVYJUPHOGWPAEO-GZTJUZNOSA-N	320.392	3.814	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])c1C	59133195	BJXBUCGICCKIAW-GDNBJRDFSA-N	321.336	3.757	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)s1	105605029	RIEQSAFBQAYVLA-UVTDQMKNSA-N	308.362	3.749	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3ccc(F)cc3F)[nH]c2c1	113431110	DTPXFQNXXPKOJU-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccnc3ccccc23)c1Cl	133554934	IDZWLRBOVJILOQ-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCc2c[nH]c3ccccc23)cc1	155107602	ZYJSDOLGBWZIPM-UHFFFAOYSA-N	318.380	3.506	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NNc2ccc(C#N)cc2)c1	155332849	NUSRACWJKHVFOC-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc3ccccc3s2)c1	157577691	KRDJVKWFEITCPN-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
CCOCc1cccc(NC(=O)NNc2c(F)cccc2F)c1	159141840	IGHJSMPXUWBJCE-UHFFFAOYSA-N	321.327	3.650	50	20	DHGD	
CC[C@@H](NS(=O)(=O)CCCCCl)c1cccc(Cl)c1	163428986	KAVXBIKVNAXXTQ-CYBMUJFWSA-N	324.273	3.730	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)c1C	170869586	DRTAUJPWVKKEFU-MHWRWJLKSA-N	323.396	3.679	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)C2CCC(c3ccccc3)CC2)n1	173253173	RBGZCCFTPRQFKZ-UHFFFAOYSA-N	324.428	3.511	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	267007939	NLNAZUGHXKKCTG-WDEREUQCSA-N	316.323	3.507	50	20	DHGD	
C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC=C(C#N)CC1	272665555	PJYAKRWUIOMQNM-LLVKDONJSA-N	314.776	3.607	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1csc(C2CC2)n1	490610017	FPXAIYBHEVOCBG-XLFIVMGGSA-N	315.442	3.622	50	20	DHGD	
CS[C@H]1CCCCN(C[C@@H](CBr)C2CC2)C1	701861190	ABGAUYRFJINUQS-OLZOCXBDSA-N	306.313	3.625	50	20	DHGD	
C[C@H](CBr)CN(C)CCc1ccc(Cl)cc1	708382930	LLIBPZILILEXRZ-LLVKDONJSA-N	304.659	3.845	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(OCC#N)c2)c1C	727828326	WDZIPGNJDHJSSP-GZTJUZNOSA-N	316.360	3.996	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1ccccc1Cl	731488022	OZBRUYUYCFVDFG-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1ccc(Cl)cc1Cl	748017807	UVIDCRMNASDVMA-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
COc1ccccc1C/C(C)=C\C(=O)NNc1cc(C)cc(C)c1	748380564	PPMJFHWSOPIABJ-SSZFMOIBSA-N	324.424	3.944	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCOc2ccc(Cl)cc2)c1	748416043	OOKVVYCBOZVPED-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@H]2CCc3ccccc32)c1	755504863	MPDVAWIIWULGBS-QGZVFWFLSA-N	322.408	3.514	50	20	DHGD	
N#C/C(=C\c1ccc(OC(F)F)c(Cl)c1)c1ccncn1	758911787	LBPLCTAJEPMORJ-BJMVGYQFSA-N	307.687	3.796	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnc3ccccc3c2C)c1	760141632	SCSPEOQIJNTRCR-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2cccc(C(F)F)c2)c1	769991731	GKLPZBZSTZVONI-UHFFFAOYSA-N	302.284	3.644	50	20	DHGD	
COC(=O)NN=Cc1ccc(SCc2ccccc2)cc1	771872001	OZVKVLDSTXBUDJ-UHFFFAOYSA-N	300.383	3.669	50	20	DHGD	
CC(C)[C@@H]1CN(S(=O)(=O)CCCCCl)c2ccccc21	773284386	QSKKWMZZNDWXHG-AWEZNQCLSA-N	315.866	3.595	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccc(C(F)(F)F)cn1	775265298	YLKYWDUKXIAORW-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cn1	780148431	ROKHKPBDTMOYJC-ZSOIEALJSA-N	304.305	3.626	50	20	DHGD	
CC(C)(CNS(=O)(=O)CCCCCl)C1CCCCC1	780828573	MRNRWHKKEIRYGD-UHFFFAOYSA-N	309.903	3.531	50	20	DHGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)NC1CCCCC1	783511524	HOIBWAZZVGPPPN-JTQLQIEISA-N	305.344	3.727	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	784593606	IPRIBZXRQRQNHE-CYBMUJFWSA-N	315.417	3.535	50	20	DHGD	
C=CCCC[C@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	789167110	UFSBSBODTWICBA-NSHDSACASA-N	311.813	3.720	50	20	DHGD	
O=C(COC1CCCCC1)NNc1cc(Cl)cc(Cl)c1	791734144	IUWDFVVCGGXEIM-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNC(=O)c1cccc2ccccc12	793548612	FYNJRJPWVAHVPX-IBGZPJMESA-N	312.413	3.817	50	20	DHGD	
CCCOc1cc(/C=C(\C#N)C(=O)c2ccoc2)ccc1OC	798229960	KAKALCJQXBMZDM-OQLLNIDSSA-N	311.337	3.867	50	20	DHGD	
O=C(NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1)C1CC1	799467035	ZSRWHRLWPRLSGT-LBPRGKRZSA-N	310.319	3.855	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1cccc(Cl)c1	806090864	RGHZDPZOZNTAAX-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCc1c[nH]c2ccccc12	808248569	NYXRTTUUEPSSLL-UHFFFAOYSA-N	313.228	3.753	50	20	DHGD	
CC1(C)COc2ccc(C(=O)NNc3cccc(Cl)c3)cc21	810021716	MVWVHUKPLJFDCN-UHFFFAOYSA-N	316.788	3.767	50	20	DHGD	
COc1ccsc1C(C)=NNC(=O)Nc1ccc(Cl)cc1	815005300	WIFKQTRNFZWNKT-UHFFFAOYSA-N	323.805	3.956	50	20	DHGD	
Cc1ccc2nc(C(=O)NNc3ccccc3Cl)ccc2c1	815852980	QGJHIPKJVNAAQC-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(OC2CCCC2)cc1	816605178	OFKVDAJHSYJIEU-UHFFFAOYSA-N	302.201	3.542	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cccc(Cl)n2)c(C)c1	817008453	SJZLAJZFHDILSZ-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3cccc(Cl)n3)cc2C1	817011199	JOILAXQRFMRDOQ-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC2(CCC2)[C@H]1C1CCOCC1	823660535	MILPIOCOJQHJLN-YFMIZXKXSA-N	308.425	3.832	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCO[C@H](C(C)C)C1	830096712	IUMUTSFEJLEVIV-DOMZBBRYSA-N	310.825	3.543	50	20	DHGD	
O=S(=O)(CCl)N1CCCCC[C@H]1c1ccc(Cl)cc1	830549740	OTBMQYQTFHAQBS-ZDUSSCGKSA-N	322.257	3.783	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc2ccccc12	834412457	FWENEMCUUIIRSX-WJDWOHSUSA-N	320.392	3.814	50	20	DHGD	
CCCC(=NNC(=O)c1ccc2c(c1)OCCO2)C1CCCC1	834937473	QQZBPQQGAQLHFO-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CS[C@@H]1CCCC[C@H]1NC(=O)[C@@H](Br)C(C)(C)C	846347746	IARSTCZMTBUSEW-GMTAPVOTSA-N	322.312	3.586	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NC[C@]1(C)C[C@@H]1Br	857392006	XALHDEHJDOQLHS-AAEUAGOBSA-N	316.626	3.552	50	20	DHGD	
C[C@@H]1CN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F	859410623	CVQSCFJAUBLLEM-QGCWCCPISA-N	321.327	3.682	50	20	DHGD	
O=C(CCc1ccsc1)OC[C@@H](CBr)C1CC1	859479503	ODVHJZVIJJSYKK-GFCCVEGCSA-N	317.248	3.645	50	20	DHGD	
Oc1ccc2c(c1)CN(Cc1ccc(OCCCCl)cc1)C2	862449678	IYPQECRMNGBRAS-UHFFFAOYSA-N	317.816	3.916	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC[C@H](C(F)(F)F)C2)c1	863155549	OZDDANHSVJZWKT-VIFPVBQESA-N	304.337	3.895	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@H](C)c1c(C)noc1C	885125527	SVYMZPWBIMJIFQ-JTQLQIEISA-N	321.808	3.890	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2C=C(C)CC(C)(C)C2)c1	916314539	IRJFYVLFIKMWJG-UHFFFAOYSA-N	316.401	3.556	50	20	DHGD	
Nc1ccc(C(=O)NN=Cc2cc(-c3ccccc3)cs2)cc1	917532067	FVEQRRSIKNTMRS-UHFFFAOYSA-N	321.405	3.761	50	20	DHGD	
Cc1ccccc1OS(=O)(=O)c1ccc(CCCl)cc1	917840642	BXNAKICFTCCPFK-UHFFFAOYSA-N	310.802	3.544	50	20	DHGD	
CCn1cc(N(CC(C)C)C(=O)C2CCC(Cl)CC2)cn1	1123898669	WEIWSUMUEGKJBC-UHFFFAOYSA-N	311.857	3.690	50	20	DHGD	
C#CCOc1cc(F)ccc1NC(=O)C1CCC(Cl)CC1	1346536383	VKTIKWQQSOBDJW-UHFFFAOYSA-N	309.768	3.574	50	20	DHGD	
Cc1ccc(C=NN(C(=O)OC(C)(C)C)C(C)C)c(C(=O)O)c1	1776110435	CIKPJGUIHLAOMV-UHFFFAOYSA-N	320.389	3.673	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)ccc1F	116608961	VXSGGJMZALOKDW-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
CCOc1ccc(CC(=O)NNc2cccc3c2CCCC3)cc1	120424849	DGNLDVODPOTHJH-UHFFFAOYSA-N	324.424	3.650	50	20	DHGD	
Cn1c(/C(C#N)=C/c2ccc(OCC#N)cc2)nc2ccccc21	129388991	WYRIPPVEMSDOGH-NTCAYCPXSA-N	314.348	3.540	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1C	134257822	YGPIHHHJEADFJX-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)C1CCOCC1	136103502	JKSIRNYELXYLHH-OCCSQVGLSA-N	317.520	3.632	50	20	DHGD	
Cc1ccc(-n2nc(C)cc2NC(=O)NNc2ccccc2)cc1	146156818	DRPWRCBAXFDLFM-UHFFFAOYSA-N	321.384	3.638	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1cccc(Cl)c1	178572582	HLOOCBHTJUUORF-OLZOCXBDSA-N	306.818	3.957	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1	180571667	XMUQJBUHVAJPKR-MHWRWJLKSA-N	322.320	3.754	50	20	DHGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)c1ccc(F)cc1	181110776	STCJIUBMCLTVHV-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
N#CC(C#N)=Cc1ccc(Br)c(Br)c1	306204867	OFIFUEWNVUWXTD-UHFFFAOYSA-N	311.964	3.642	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1C#N	491160675	MBQVMIUDLWPHKL-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(Cl)c(F)c1	727684573	IUPKVRYHTIZDFQ-UHFFFAOYSA-N	318.779	3.952	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	730151025	HHCRUPINIWIWAS-LFIBNONCSA-N	300.402	3.545	50	20	DHGD	
CC(C)Oc1ccccc1[C@H](C)NC(=O)NNc1ccccc1	734267756	CFPGEBJTTURFNR-AWEZNQCLSA-N	313.401	3.861	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)cc2C)cc1	734304797	WQWVDMATLNKNSW-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)c(O)c1	735614327	UEKUULJILABAAU-INIZCTEOSA-N	322.408	3.829	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1cnn(-c2ccccc2)c1	748252897	YGXRPOMJIZAXOO-AWEZNQCLSA-N	324.428	3.804	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)OC1CCCCCC1	748571518	CDENMKCSZOIMFR-CYBMUJFWSA-N	308.397	3.705	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)C[C@H]2C[C@@H](C)c3c(C)cccc32)n1	754174715	UFOYJKHIVCQQGA-IUODEOHRSA-N	324.428	3.526	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cccc2[nH]ccc12)c1ccccc1	755723157	RWWDLXOQFBAOFM-INIZCTEOSA-N	305.381	3.812	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ncnc2ccsc12	766678053	FKLNIAWMIPVEEV-NSHDSACASA-N	306.435	3.741	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(C#N)c(F)c1)c1ccccc1	776769859	JVKFPVSWJIBTMT-KRWDZBQOSA-N	323.371	3.731	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](F)Cc1ccccc1	778423941	ZDBXTCFMLBYEAL-INIZCTEOSA-N	323.371	3.567	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2coc3ccccc23)c1	786055721	HUALPBDQJSSVHA-MHWRWJLKSA-N	316.360	3.965	50	20	DHGD	
CC1(C)Cc2c(Br)cccc2[C@@H]1NC=C(C#N)C#N	793673529	MHPRNHMVSGFKGC-AWEZNQCLSA-N	316.202	3.593	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C(F)F)cc1	795480751	HYJUHKPBVXCXRF-UHFFFAOYSA-N	305.118	3.732	50	20	DHGD	
CCOC1(C(=O)NNc2c(Cl)cccc2Cl)CCCC1	797267961	JFPSFDWKVVXSAM-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCCC2CCOCC2)c(C)c1	798981674	OHRUNOXCSZQCOR-UHFFFAOYSA-N	304.434	3.652	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc([N+](=O)[O-])c1	799373331	DEBLXKXSNJODPL-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCC23CCC3)c1	799866451	HHFDLYAVTWJJFT-UHFFFAOYSA-N	314.429	3.934	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](c1ccc(F)cc1)C(C)C	800047963	VDCQZAMRPQOQGJ-OAHLLOKOSA-N	316.380	3.553	50	20	DHGD	
N#C/C(=C/c1c(F)cccc1Br)C(=O)c1ccoc1	806557197	OIMFJYZESJBONA-POHAHGRESA-N	320.117	3.971	50	20	DHGD	
CC(C)[C@]1(CO)CCCN(CCO[Si](C)(C)C(C)(C)C)C1	815232246	USAAHRUIYMNMIE-QGZVFWFLSA-N	315.574	3.739	50	20	DHGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)NCCCSC#N	816539797	SYVFISLBDWYPMO-AWEZNQCLSA-N	320.458	3.606	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1csc2ccccc12	817009817	AFKNIZUYKJQQMC-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H]2CCOC3(CCC3)C2)cc1	838522463	HAOYIQPQBUSUCE-MRXNPFEDSA-N	317.433	3.538	50	20	DHGD	
N#C/C(=C\c1cccc2c1CCC2)c1nnc2n1CCCCC2	844275682	ZRULVRMMVFUMNK-FOWTUZBSSA-N	304.397	3.557	50	20	DHGD	
CC(C)(C(=O)NCCCSC#N)c1cccc2ccccc12	854360177	IGCNQKICEIBXOJ-UHFFFAOYSA-N	312.438	3.838	50	20	DHGD	
CC(C)[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(F)cn1	857081087	CCGMKQPGASGRTI-MELADBBJSA-N	315.230	3.681	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NC[C@]1(C)C[C@@H]1Br	857395687	ZAWFPZXJBYHQQY-AAEUAGOBSA-N	316.626	3.552	50	20	DHGD	
CC(C)(F)C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891548285	CWSNOEAYUQCUAX-GFCCVEGCSA-N	303.494	3.747	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cn(CC)nc2C)c1C	899341630	GBJZLAQGKRQVJU-YBEGLDIGSA-N	322.412	3.606	50	20	DHGD	
C[C@]1(C(=O)Nc2ccc(Cl)cc2F)C[C@H]1Br	905071457	AKONTQYIJWEUMI-KOLCDFICSA-N	306.562	3.591	50	20	DHGD	
CCC(=NNC(=O)c1ccc2ccccc2n1)c1ccccc1	916244073	JRBDELYSOVZOKO-UHFFFAOYSA-N	303.365	3.779	50	20	DHGD	
O=C(CNc1ccccc1)NN=Cc1cc(Cl)cc(Cl)c1	917533187	ANCGGQKZWOBMTK-UHFFFAOYSA-N	322.195	3.556	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](c1ccccn1)C1CC1	925561043	OWTCSONGTOSQSQ-GOSISDBHSA-N	324.428	3.730	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@@H](C)c1c(C)noc1C	928339276	FCUSBIDETFLKFQ-SNVBAGLBSA-N	321.808	3.890	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC(C(F)(F)F)CC2)cc1	1320267453	JLXHMXFUKDYNHB-UHFFFAOYSA-N	314.307	3.534	50	20	DHGD	
CC(C)(C)[C@@H](Br)c1nnc([C@H]2CCCCO2)o1	1331912524	PBYLHNZGXREJTK-BDAKNGLRSA-N	303.200	3.793	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)c1	13338298	CBONWCGFCFBRPP-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)NC1CCCC1	14178335	ZMXPHZMEZOGLKP-FMIVXFBMSA-N	308.303	3.671	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cnc3c(C)cccn23)ccc1[N+](=O)[O-]	91541027	ZIOBUMZJKPUKIN-OQLLNIDSSA-N	318.336	3.924	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	113307897	UCODVTFJMQRISN-UHFFFAOYSA-N	321.716	3.784	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2c(F)cc(C#N)cc2F)c(C)c1	151041330	KNBZGMAEDUBVKG-UHFFFAOYSA-N	315.323	3.519	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)o1	182436826	NWDAXMZXEBHURP-ZENNRRHLSA-N	312.344	3.820	50	20	DHGD	
C[C@H](Br)c1nc2cc3ccccc3cc2c(=O)[nH]1	184760504	NPKGQMPRDFTBTB-QMMMGPOBSA-N	303.159	3.532	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC)c(OC)c2)c1	212137897	YHGKAHADKXJMQK-DHDCSXOGSA-N	323.348	3.502	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2c(F)cccc2Cl)CCO1	274512091	UWIVQDNXYLCGHB-GHMZBOCLSA-N	314.788	3.518	50	20	DHGD	
C[C@@H]1[C@H](N2CCCC2)CCN1CCO[Si](C)(C)C(C)(C)C	377524945	PMPZWHQHHRKTSA-HZPDHXFCSA-N	312.574	3.567	50	20	DHGD	
CCN(Cc1cccs1)C(=O)/C(C#N)=C/c1ccc(F)cc1	490841504	ITJWGSJVNZAZAK-GXDHUFHOSA-N	314.385	3.843	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1cc(Cl)cc(Cl)c1	493225966	RBVPBYCBSDWGTG-IHWYPQMZSA-N	322.195	3.853	50	20	DHGD	
Cc1cccc([C@H]2CC[C@@H](CI)OC2)c1	536957597	HWKARVUUDZDBLY-STQMWFEESA-N	316.182	3.693	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2sccc2C)cn1	588578159	UAPAXMFNDGNBLZ-ZROIWOOFSA-N	311.410	3.698	50	20	DHGD	
Cc1cc(C=NNC(=O)Cc2cccc3ccccc23)ccc1F	729143206	JWNBWHHWJCSYND-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
COc1cc(C)sc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	733757738	UCIGBFCHTSHWOI-UHFFFAOYSA-N	307.327	3.501	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2nccc3sccc23)c1C	734248966	DIWRADBFXHRTFM-UHFFFAOYSA-N	301.371	3.571	50	20	DHGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1ccc(Cl)c(F)c1	746699086	WOKHBPGKFORENQ-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ocnc1C	748670891	YLBURDKHYTYUNC-UHFFFAOYSA-N	315.398	3.933	50	20	DHGD	
O=C(/C=C\C1CCCCC1)NNc1ccc([N+](=O)[O-])cc1Cl	748733222	ZKVWEMPLZCSOMZ-TWGQIWQCSA-N	323.780	3.828	50	20	DHGD	
CC[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	751956246	QBUYUXGCQFAUCX-GTVARFKMSA-N	322.383	3.870	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)c1cc2ccccc2o1	755759419	XWCQQUWJDSCBQG-HZPDHXFCSA-N	304.349	3.952	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	758014870	FEORKRHRXXHNMI-AVJLEEFCSA-N	304.340	3.734	50	20	DHGD	
COCc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc1	769522960	LPPURIDOWVLTKO-GFCCVEGCSA-N	314.223	3.581	50	20	DHGD	
CCSc1cccc(C=NNC(=O)c2ccc(Cl)nc2)c1	769780125	KPFJJHMPEUHBQK-UHFFFAOYSA-N	319.817	3.611	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1nc2ccc(OC)cc2cc1C	780743186	VJPSCPDUZJVMLI-AAEUAGOBSA-N	315.417	3.677	50	20	DHGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	781553406	QWEIYXXBBDPGRX-LGMDPLHJSA-N	307.397	3.703	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccc(F)c2ccccc12	795164930	JDMLRBUPHUTJDZ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
N#C/C(=C/c1ccccc1Br)C(=O)c1ccoc1	798230854	TZCYOIBTPJCEHO-GHXNOFRVSA-N	302.127	3.832	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccnn1C1CCCC1	799759322	LYPZPYUGNMRNKM-UHFFFAOYSA-N	312.417	3.626	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCC2(CCCC2)CC1	811630670	QVFJAXNJZMPFDA-UHFFFAOYSA-N	324.428	3.863	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(C2CCCC2)cc1	812240777	ROPXXQPSMSHHDM-JVVDOCDTSA-N	313.397	3.829	50	20	DHGD	
CC(CC1CCOCC1)=NNC(=O)Nc1ccc(Cl)cc1	815004669	JWLVWGVFTYBJNI-UHFFFAOYSA-N	309.797	3.654	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	817005163	HOXBMTXMSLLNCN-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
Cc1cccc2sc(NNC(=O)C=C3CCSCC3)nc12	828362295	GMBYYAWDABGPMI-UHFFFAOYSA-N	319.455	3.501	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc2cc(Cl)cnc2o1	834405785	XPQWDZYMGFUGHX-XFFZJAGNSA-N	304.733	3.731	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)c1cc(C)nc2ccccc12	841604841	VZZVVJCOBUNZEJ-UHFFFAOYSA-N	308.385	3.733	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1Cc1ccnc(N)c1	844349256	KFDDAGXKFMJKMU-HNNXBMFYSA-N	321.541	3.650	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	853340731	GRMDUZMQEMNFNI-LBPRGKRZSA-N	321.808	3.539	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCCC2(F)F)cc1F	854098642	RVHWTIGXZCQXPC-NSHDSACASA-N	315.339	3.586	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccnc(Cl)c2)s1	855468319	TXPPJYXAFGBNDA-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc3c(c2)CCC=C3)C[C@@H]1Br	857391199	MOBASBYELWYZDA-HOCLYGCPSA-N	320.230	3.549	50	20	DHGD	
C[C@H](C(=O)NN[C@@H](C)C(F)(F)F)c1ccc2ccccc2c1	862311341	MOGQMIFRIZPJDF-QWRGUYRKSA-N	310.319	3.515	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)CCc2ccc(F)cc2)cc1	878724952	LRDVRPJBFXFNAH-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ccc(Cl)nc1	895889248	ULDRNBGDZNYHDE-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1ccc(OC)c(OC)c1	915941281	LOUUJTHLWKDYBC-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1318589433	JCZYMQMDTBYZGM-ZDUSSCGKSA-N	321.469	3.759	50	20	DHGD	
Cc1ccccc1OCCC(=O)NNc1c(F)cccc1Cl	1320661829	UCBDNBWYLRHNJF-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
C[C@@H](CBr)COC(=O)CSCc1cccs1	1321295460	YQLBZTIDHYJOAJ-VIFPVBQESA-N	323.277	3.556	50	20	DHGD	
Cn1cccc1C(=O)NN=Cc1ccc(-c2ccccc2)s1	1321718917	YJAVZFBOKMESFF-UHFFFAOYSA-N	309.394	3.518	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)ccc1Cl)C(=O)c1ccccc1	1601045860	QRDYDIULELIUTI-NTEUORMPSA-N	311.724	3.828	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)c1cccc(C(=O)O)c1	1776095058	BMGDUWBSIFJLLV-UHFFFAOYSA-N	316.401	3.851	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1	6956456	MVARYRXSNLUIPM-XMHGGMMESA-N	304.393	3.515	50	20	DHGD	
CCSc1ccc(C(=O)NNc2cccc(Cl)c2)cn1	68723150	GVCAPZWWMUSSBA-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
Cc1cccc(NNC(=O)c2csc3c2CC[C@H](C)C3)c1	72514331	UPZKSGDWGQQBRY-LBPRGKRZSA-N	300.427	3.938	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(-c3ccccc3F)on2)c1	73772571	DCFMIHSXZVHVCP-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COc1ccccc1SCC(=O)NNc1cccc(Cl)c1	133345290	RUDIEFDQGVIXRV-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
CC[C@H]1C[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	181118587	WOBHRFGVRUQOMD-CJNGLKHVSA-N	304.434	3.632	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1cccc(F)c1	193163367	BKRDYXLPPNWQIS-NTCAYCPXSA-N	317.323	3.801	50	20	DHGD	
CC1(C(=O)NNc2ccc3c(O)nccc3c2)CCCCCC1	285776991	SHALRLQDRCXBNA-UHFFFAOYSA-N	313.401	3.744	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)Nc1ccc(Cl)cc1	490726198	OLFLKGJUWZULIS-YRNVUSSQSA-N	318.163	3.934	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	490910389	QSUBKVNHBPVWHI-RVDMUPIBSA-N	322.364	3.725	50	20	DHGD	
CCCNc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	491007692	GMHNIMVKNRWIEC-QINSGFPZSA-N	321.380	3.760	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)CC(C)(C)C)CCN1Cc1ccccc1	734298985	HUICRMWPORPWIO-OAHLLOKOSA-N	315.461	3.579	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCF)c1C	741448521	LSPXQSFKZQUAMT-WJDWOHSUSA-N	306.381	3.715	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)C1(c2ccc(Cl)cc2)CC1	743819352	LWWIEGYRQYKNBB-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
CC(=NNC(=O)N(C)C)c1ccc(-c2ccccc2F)s1	745601513	DKISMFWGJDWWIK-UHFFFAOYSA-N	305.378	3.549	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cncc2ccccc12	746695694	KCYSOUUUUOAANW-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccc(Cl)cc2F)o1	747643852	RMQVSWKVKWDRRR-RNCFNFMXSA-N	320.751	3.959	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(C#N)c(Cl)c3)cc2c1	753302982	RJKSUHMONZAUHF-UHFFFAOYSA-N	324.771	3.758	50	20	DHGD	
CN(NC(=O)NCc1ccc(C2CCC2)cc1)c1ccccc1	755296788	MALCGIAFZQRGDD-UHFFFAOYSA-N	309.413	3.805	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(O)c(F)c3)n2)cc1	755407935	UOIROJIDHIQXDG-RIYZIHGNSA-N	321.311	3.954	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1	755782698	OIAFXDFVFHBVFX-AWEZNQCLSA-N	319.408	3.927	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2ccc(C)c(C)c2)c1	758386299	AOJSBQNDSSZVDP-VCHYOVAHSA-N	321.376	3.962	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@H](C)c1ccccc1F	770358177	DHFFLBFHWGAMRL-MNOVXSKESA-N	317.198	3.894	50	20	DHGD	
Cc1ccc(CC(=O)NNc2c(C)cccc2F)c(Cl)c1	771699976	AFSCHWJZQPEVLS-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
O=C(NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1)C1CC1	771871851	LABSUMYMSWUNCZ-UHFFFAOYSA-N	324.224	3.584	50	20	DHGD	
CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)Cc1c[nH]c2ccccc12	773190225	CVYMKUBJMJTUAN-RHSMWYFYSA-N	309.413	3.805	50	20	DHGD	
Cc1nnc(COC(=O)CCCC[C@H]2CCSS2)s1	773473843	QKGFKNXCQAZXSE-JTQLQIEISA-N	318.489	3.604	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NNc1ncncc1Cl	781824808	HKKPPTBKTPQIKQ-CYBMUJFWSA-N	324.856	3.960	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	784589270	QWUGBVZLYBBPGS-CYBMUJFWSA-N	324.852	3.636	50	20	DHGD	
CCc1cccc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	787726333	HIISHGBIZHFFJL-BOPFTXTBSA-N	307.349	3.605	50	20	DHGD	
COc1ccc(CCC(=O)NN=CC(C(C)C)C(C)C)cc1	788994130	FBFVVMRUPXRQQX-UHFFFAOYSA-N	304.434	3.658	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790100757	HXDZSQPGKLJBDL-FLIBITNWSA-N	316.307	3.656	50	20	DHGD	
Cc1cccnc1NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1	791225899	UKHGXDMYZJOMRF-FMIVXFBMSA-N	309.413	3.844	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccccc1CC(F)(F)F	792320643	JVLPCTSPGBJCPP-UHFFFAOYSA-N	324.306	3.643	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(C3CCCC3)C2)cc1	794196350	HLEFXRSVJDTDHB-GZTJUZNOSA-N	324.424	3.641	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)C1CCOCC1	794957510	FHBFESCTYBATIH-GHXNOFRVSA-N	310.180	3.896	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NNc1ncccn1	795044915	AEAXFQRPFYVINQ-FVRSWCFKSA-N	316.449	3.552	50	20	DHGD	
CC(C)(C)c1ccc(NC(=O)NNc2cccc(F)n2)cc1	806096757	FYOCFAMLVYTMOG-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccnc(C(F)(F)F)c1	809731111	PCSKGLNMSXITEG-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1scnc1Cl	812767485	XTMAQKQVJJOOQL-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2ccc(COc3ccccc3)o2)C1	814762356	XJGVNSNINBETMF-UHFFFAOYSA-N	312.369	3.764	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)CSC(C)(C)C)cc1	814996777	BDYAPQROWIOPMQ-UHFFFAOYSA-N	309.435	3.724	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccccn2)c2cc(C(=O)O)oc12	832272815	ISZYUHTVRUTRMI-WQLSENKSSA-N	320.304	3.599	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)CC1	836787678	KOQFCISUFVGCBE-JTQLQIEISA-N	323.318	3.767	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(SC)oc1C	854336405	NOTBKKWNNFETDL-UHFFFAOYSA-N	304.415	3.938	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccnc(Cl)c3)CCC2)c1	855469758	RAVDASXPUGRRRH-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CN(N=Cc1ccsc1C(F)(F)F)C(=O)OC(C)(C)C	863082385	IUARNFQIBCGKKK-UHFFFAOYSA-N	308.325	3.968	50	20	DHGD	
CC1=CC(=NNC(=O)Cn2c(C)nc3ccccc32)CC(C)(C)C1	916275832	VQJQHEFBNUFGJK-UHFFFAOYSA-N	324.428	3.583	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC(C)C)c(OC)c1)C(C)C	916348937	QSROCFLXMAFKPM-UHFFFAOYSA-N	306.406	3.634	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)CCCc1cccnc1	928337807	MEBXCCOIYMGZGY-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cncn1-c1ccccc1	1317865948	GAEALEHGMRGMQS-AWEZNQCLSA-N	312.417	3.804	50	20	DHGD	
Cc1sccc1C=NNC(=O)c1ccc(Br)cc1	1327796855	APTNADXJMNFHPF-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC([C@H]2CCCCO2)CC1	1353739362	XXNLEAWMEJOYPL-QGZVFWFLSA-N	321.848	3.847	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccoc3C(=O)O)c[nH]c2c1	1600490116	BNMWAGHLBOHKMR-KPKJPENVSA-N	320.304	3.557	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045612	ZWODTZYYFLJVBG-LLVKDONJSA-N	305.378	3.709	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)Nc2cccc3ccccc23)cn1	6961956	ZQMILVLGKHGTLE-MHWRWJLKSA-N	316.364	3.602	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)Nc1ccccc1Cl	53732911	FSSLAEZESXDDAK-UHFFFAOYSA-N	318.764	3.507	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)c1nc2ccccc2[nH]1	89857601	LUPUQMOGVMGDJR-OWBHPGMISA-N	311.348	3.813	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2ccc(Cl)cc2)cs1	120127450	RVIVEKLOYLIBAX-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CCCc1cc(C(=O)NNc2cc(F)cc(OC)c2)sc1C	156665726	PWAVBDYMRXDLQJ-UHFFFAOYSA-N	322.405	3.914	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc(-c3ccccc3)nc2)c1	159290280	LFMIGIZPJNXKHL-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)c(F)c1	175230681	YRNIXELEHUJDDB-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
Cc1ccnc(NNC(=O)Nc2ccccc2C(F)(F)F)c1	176281755	KHGDFVRTVNVDEX-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1ccc(F)cc1	179171788	IEERHAZVHCSSFM-WZUFQYTHSA-N	302.255	3.650	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2cccc(Cl)c2)cc1C	180359379	YWUQGGSGLMORIG-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
O=C(NNc1ccncc1)c1cncc(-c2ccc(Cl)cc2)c1	180447394	JSMNLCZXEDQRAC-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(/C#N)S(C)(=O)=O)s2)cc1	194775188	OKGQQPPKOXVCEA-ZROIWOOFSA-N	303.408	3.633	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(CC)o2)cc1	255090378	DESOGJDUIXDIJV-QBFSEMIESA-N	310.353	3.786	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(CCC(F)(F)F)cc1	255473003	LIVSOYCIMQKKFM-BENRWUELSA-N	312.291	3.564	50	20	DHGD	
Cc1cc2occ(CC(=O)NCC(Cl)Cl)c2cc1C	294346080	KBPLJKWWZQYAJE-UHFFFAOYSA-N	300.185	3.512	50	20	DHGD	
O=C(/C=C/c1ccsc1)NNc1ncc(Cl)cc1Cl	492703000	HKFPLSQLWARUOK-OWOJBTEDSA-N	314.197	3.606	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1C	588597629	XJXYFKARFYREIT-WJDWOHSUSA-N	312.413	3.702	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(F)cc1O	727778754	QQROMBLTGJWCLR-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCC2CC2)c1C	728764162	JLKCZUWZUURAMU-LICLKQGHSA-N	300.402	3.765	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cccc2ncccc12	730146380	TXVYCSIFXJZXPL-UHFFFAOYSA-N	307.353	3.566	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)CCc2ccccc2)cc1	749744241	CVZNSPQJQOLQLU-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
COc1cc(C)ccc1C(C)=NNC(=O)c1cc2ccccc2o1	749823793	RMDFZXGAOHTHRF-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
Cc1cc(C)cc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	750660144	AJFMQXBMYFROIZ-YVLHZVERSA-N	307.349	3.659	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)C1CC(F)(F)C1	753578584	ZJEHGXMBJXBGLO-UHFFFAOYSA-N	302.324	3.901	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)CCC(C)(C)C)c([N+](=O)[O-])c1	755517136	WPQTUTPPNWRWMF-NSHDSACASA-N	323.393	3.509	50	20	DHGD	
N#C/C(=C/c1ccc(OC(F)F)c(Cl)c1)c1ccncn1	758911790	LBPLCTAJEPMORJ-YHYXMXQVSA-N	307.687	3.796	50	20	DHGD	
CN(NC(=O)c1ccccc1CCC(F)(F)F)c1ccccc1	760138256	FHLOILGOAIKDJS-UHFFFAOYSA-N	322.330	3.963	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)c1ccc(F)cc1	767035756	NPBHNLVXSRCOBR-LLVKDONJSA-N	302.187	3.598	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)NNc1cc(F)c(F)c(F)c1	767198278	WNZXUKMSCVJTHI-UHFFFAOYSA-N	323.318	3.547	50	20	DHGD	
COc1ccc(C(=O)NNc2c(F)cccc2Cl)c(C)c1	770196533	HIHHRPGGOBTUNZ-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
C[C@H](CBr)CN1CC[C@H](c2cccc(F)c2)C1	770650145	QSVBJPYATHZXNT-YPMHNXCESA-N	300.215	3.646	50	20	DHGD	
Cc1[nH]c(C=O)cc1C(=O)NN(c1ccccc1)c1ccccc1	773750758	IAPLFTVFEKVFLC-UHFFFAOYSA-N	319.364	3.619	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC23CCCC3)cc1OC	788703193	DICDEPCUDXUFOU-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1c(F)cccc1OC(F)(F)F	788941543	YTAGMGYIOBOKIH-UHFFFAOYSA-N	322.258	3.583	50	20	DHGD	
CC(=O)c1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)ccc1C	789405374	IJPREYLBYXTOKP-UHFFFAOYSA-N	313.309	3.633	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)c1ccc(C2CCC2)cc1	792325977	DZRAXKTYRYEECB-UHFFFAOYSA-N	318.380	3.654	50	20	DHGD	
C#Cc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)cc1	792630638	XCZAAAAJTYFBTQ-UHFFFAOYSA-N	312.372	3.514	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	794874316	FXERJUGCKAQQDK-JXMROGBWSA-N	305.790	3.969	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	794952969	JOQGEITZFFNJGX-HRYODUOUSA-N	303.789	3.860	50	20	DHGD	
CCCN(N=Cc1ccc(C)c(OC)c1)C(=O)OC(C)(C)C	794998957	YIDROOOSQFLWNK-UHFFFAOYSA-N	306.406	3.985	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@H]1CCCC(F)(F)C1	800719229	SKJASTULOHKOQT-NSHDSACASA-N	315.339	3.586	50	20	DHGD	
C[C@@H]1CCCN(c2ccc(CNC=C(C#N)C#N)cc2Cl)C1	800721484	OIKSCQSRRALQAV-CYBMUJFWSA-N	314.820	3.597	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@@H]2CC)cc1OC	807957256	ZMMPURLEUQHMLF-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1	810215576	HDDBVQIZOJDCRX-SFQUDFHCSA-N	310.397	3.609	50	20	DHGD	
COC[C@@H](C)[C@@H](C)C(=O)NN(c1ccccc1)c1ccccc1	812823880	MGTYFXFYYIBHGI-HZPDHXFCSA-N	312.413	3.775	50	20	DHGD	
CC[C@H](C=NNC(=O)CCc1ccc(OC)cc1)c1ccccc1	814813565	SRISUGYNTGHABX-QGZVFWFLSA-N	324.424	3.924	50	20	DHGD	
O=C(NN=Cc1cccnc1Cl)c1cccc2ccccc12	814855765	RZACKDNQCRQTAR-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)CSc1ccccc1O	814968837	NSBRYFCHRYMJOO-ZDUSSCGKSA-N	320.458	3.803	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc(Cl)c(F)cc1Cl	816467920	SMNNBDFMLCPMON-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(F)cc1	834421039	NWHVKOUUFKMROB-IGVUGNCQSA-N	311.360	3.748	50	20	DHGD	
O=C(NN=C1CCCC12CCC2)c1cccc(OC(F)F)c1	834953327	DZXQLUDUJSHYKS-UHFFFAOYSA-N	308.328	3.728	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2c(C)cccc2Cl)CCO1	836933048	HPYVCOBFSTWPIV-QWHCGFSZSA-N	310.825	3.687	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)Nc1ccc(OC(F)F)cc1	841624759	FUWLEVVHJKPNGH-UHFFFAOYSA-N	324.331	3.869	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2ccc(Cl)cc2)C1)C(F)F	841631870	MILHQSCEXVRQGT-SNVBAGLBSA-N	300.736	3.735	50	20	DHGD	
Cc1cccc(Cl)c1C(=O)NC[C@@]1(C)C[C@@H]1Br	857688951	RUKGTSOMBDSKEX-GXFFZTMASA-N	316.626	3.552	50	20	DHGD	
CC(C)[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)c1cccc(Cl)c1	862310779	FPXMURATEJEENJ-JOYOIKCWSA-N	322.758	3.651	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1ccc(Cl)c(F)c1	866879692	DBYYKXWMOSYYPW-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
Cc1ncc([C@H](C)NC(=O)NNc2ccc(C(C)C)cc2)s1	876014615	LXOIPDKXQZDWGN-NSHDSACASA-N	318.446	3.962	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1c(F)cc(F)cc1F	885153722	NXKHINFCADSJFS-LURJTMIESA-N	314.229	3.526	50	20	DHGD	
N#C/C(=C\c1ccccc1OCC(F)F)C(=O)C1CCCC1	887282777	AEUXXXRIPOCXPR-NTEUORMPSA-N	305.324	3.997	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(OC(F)(F)F)cc1	915936604	VTNRDVURYXIPFL-UHFFFAOYSA-N	318.295	3.834	50	20	DHGD	
CC(=NNC(=O)c1sc(-c2ccccc2)nc1C)C(C)C	916349516	NXRPCLQQWDRWFK-UHFFFAOYSA-N	301.415	3.880	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2cc(F)ccc2F)c1C	931073981	UVNMHBGGQNEDQA-SECBINFHSA-N	323.347	3.589	50	20	DHGD	
Cc1cc(NNC(=O)Nc2cn(C)nc2C(C)C)ccc1Cl	931250717	RRURNNGAQGOQAD-UHFFFAOYSA-N	321.812	3.654	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)c1ccc(F)cc1F	1319603135	FPTWYEGISXPUGM-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1321107402	XIWURVZYAFHNAK-CXUHLZMHSA-N	317.348	3.778	50	20	DHGD	
CC1(C)[C@@H](C(F)(F)F)CCN1C(=O)C1CCC(Cl)CC1	1351892291	NVKZUNNVSORHBR-ILDUYXDCSA-N	311.775	3.973	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)co1)c1nc(-c2ccncc2)cs1	1601045932	RVOJNBJTOIRHJI-WZUFQYTHSA-N	323.333	3.560	50	20	DHGD	
Cc1nn(Cc2ccccc2Cl)c(Cl)c1C=C(C#N)C#N	16406511	VWLWYMQHROYXSZ-UHFFFAOYSA-N	317.179	3.977	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	113432275	ULEZGFKHKMTIPU-RKDXNWHRSA-N	322.277	3.777	50	20	DHGD	
CC(C)(C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	124808432	KBWDOLCDPBYKOW-UHFFFAOYSA-N	304.312	3.507	50	20	DHGD	
Cc1cccc(NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c1	134866634	HJVAWBMDGOXQHS-JDPPGYRCSA-N	302.393	3.747	50	20	DHGD	
CC(C)[C@H](CC(=O)NNc1cccc(C#N)c1)c1ccccc1	152345725	XSBRPZZHIKCPEW-SFHVURJKSA-N	307.397	3.831	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)Nc1cccc(F)c1	163239809	MRDJAJSGEAYBST-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)c1csc2ccccc12	163587823	WGLMVCXNEWJNAW-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1nc(C(C)C)cs1	185562905	ANPXEUVMNSTMRZ-UHFFFAOYSA-N	322.409	3.540	50	20	DHGD	
COCC1=CCN(C(=O)CCCC[C@H]2CCSS2)CC1	186172250	QFWVAHZDZIYMJP-AWEZNQCLSA-N	315.504	3.506	50	20	DHGD	
CN(NC(=O)N[C@H](CC(C)(C)C)C(F)(F)F)c1ccccc1	272284264	IVPRUFPUDRBPEX-GFCCVEGCSA-N	317.355	3.704	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	272416725	DUJPGHHWVPYVDB-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
COc1cccc([C@@H](C)CCCC(=O)NCC(Cl)Cl)c1	297120739	PCVUBPLIPGSORO-NSHDSACASA-N	318.244	3.889	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(F)ncc2F)c(C)c1	491177629	YBHPHXNCYIIUHV-MLPAPPSSSA-N	313.307	3.522	50	20	DHGD	
CCCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCC1	588606968	AQZLDBKLNWFYFS-QIPRVMPFSA-N	312.413	3.774	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1nc2ccccc2s1	728700480	QFHKUBQPTIFSDQ-WAYWQWQTSA-N	317.801	3.628	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	728859623	VVZQLMZTWFRHTP-UHFFFAOYSA-N	313.785	3.908	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(F)ccc1F)c1ccccc1	731931046	AWLFHFYYFXOMHW-HNNXBMFYSA-N	302.324	3.609	50	20	DHGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1F)c1ccccc1	733200169	ATOFAMDHTVBZRY-UHFFFAOYSA-N	310.250	3.608	50	20	DHGD	
Cc1nc2ccccc2cc1C(=O)NNc1c(F)cccc1F	735697863	MOMRFVMYLVCEOB-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@H](C2CC2)C1	737423855	YQYUKSZFTCJGMG-JSGCOSHPSA-N	318.392	3.665	50	20	DHGD	
CC(Cc1ccccc1C)=NNC(=O)c1ccc(O)c(Cl)c1	743440291	HIDZRVIHTQXSKC-UHFFFAOYSA-N	316.788	3.702	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2cc(F)ccc2F)c(C)c1	743762755	KEDHNMZTLLFFPE-UHFFFAOYSA-N	304.340	3.576	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(-c2cnco2)cc1	748303475	PYXNUIVRXJYDEX-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)NCc1ccccc1	750817403	FBLNJIPHKZRECI-LDADJPATSA-N	302.377	3.787	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2c(F)cccc2F)cc1	752142987	VCGMLKYCAPNNQQ-UHFFFAOYSA-N	322.380	3.763	50	20	DHGD	
CCCCC=NNC(=O)c1ccc(COc2ccccc2)o1	755582232	UIOZZUUIRCRPFD-UHFFFAOYSA-N	300.358	3.764	50	20	DHGD	
N#Cc1cnc(NC(=O)CCCC[C@@H]2CCSS2)s1	759628387	ZUINVBHCHPOBFB-SECBINFHSA-N	313.473	3.667	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC(C3CCCCC3)CC2)n[nH]1	766452220	CEXUERFFFDZBEH-UHFFFAOYSA-N	302.422	3.574	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(-c2cnco2)cc1	770351970	PDEYPYUFCMOCQV-SNVBAGLBSA-N	324.174	3.529	50	20	DHGD	
Cn1ccc2ccc(NC(=O)NNc3c(F)cccc3F)cc21	775640781	FXGSQVRXWPDARK-UHFFFAOYSA-N	316.311	3.605	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1F	782341880	MGZOIFSPKGCPAW-MDWZMJQESA-N	322.343	3.868	50	20	DHGD	
Cc1csc(C(=O)NNc2c(F)cccc2F)c1Cl	790804182	JRXOPVJMGHJCEP-UHFFFAOYSA-N	302.733	3.745	50	20	DHGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)[C@H]1CCCOC1	794884638	QXBHDGHCQOLIKL-IAOKNECISA-N	316.426	3.703	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1ccc(C(F)(F)F)cc1	802829488	SELRHLHDIJPGNL-UHFFFAOYSA-N	318.339	3.744	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	807957604	RPFQROBXPAYURA-ZDUSSCGKSA-N	312.369	3.764	50	20	DHGD	
ClCCCOc1ccc(CN(C[C@@H]2CCOC2)C2CC2)cc1	811454842	PXGRMRJWCPNLNU-INIZCTEOSA-N	323.864	3.695	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1COc2ccccc21	812767654	OOAXAKKGLCIILR-INIZCTEOSA-N	310.397	3.738	50	20	DHGD	
O=C(NN=C[C@H]1CCCOC1)c1cc2c(s1)CCCCCC2	814755160	MNCHVFYWRSYUQI-CYBMUJFWSA-N	320.458	3.549	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)cc1	817879874	RATFFYNJJGZFHT-JKSUJKDBSA-N	302.418	3.767	50	20	DHGD	
COc1cc(C#N)ccc1OCCO[Si](C)(C)C(C)(C)C	821052612	ORVRXHSHYUTTPV-UHFFFAOYSA-N	307.466	3.967	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2cc(F)ccc2C)cc1C	822383151	MLPDBBYAGQTKFV-LLVKDONJSA-N	319.384	3.759	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNc1ccccc1	825131042	OTISZLOSXCURTN-DJIMGWMZSA-N	304.434	3.607	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1nnc(C2CC2)s1	836205671	OKGOEDINAZHWRN-UHFFFAOYSA-N	323.809	3.526	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cnc[nH]2)CC1	844344954	LYSSECLILQLQOJ-UHFFFAOYSA-N	309.530	3.644	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)OC[C@@H](CBr)C2CC2)o1	859577652	YXGCRMHORPCEFV-CMPLNLGQSA-N	315.207	3.656	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(C#N)ccc1Br	899343870	GFXIPVWTIRWUHB-NTUHNPAUSA-N	317.186	3.843	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cncn2C(C)C)c1C	901420084	JOOGBTITMACBOP-OVCLIPMQSA-N	308.385	3.627	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	914527240	HNSNKYYPHJIVQM-ATVHPVEESA-N	313.445	3.995	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(SC(F)(F)F)cc1	915974851	QGSNZJBZLJOINJ-SECBINFHSA-N	304.337	3.795	50	20	DHGD	
CCc1ccc(CNC(=O)NNc2ccccc2Cl)s1	916576806	PUSDAEBLIKKLOJ-UHFFFAOYSA-N	309.822	3.790	50	20	DHGD	
Cc1ccc(O)c2c1[C@H](C)/C(=C/c1cnn(CCCl)c1)C2=O	1318245758	JXXJTJBCURZYEJ-NUBYWOLOSA-N	316.788	3.519	50	20	DHGD	
CCn1c(C)cc(C=NNC(=O)c2ccccc2Cl)c1C	1322437138	ZWIXASVEGJMDIB-UHFFFAOYSA-N	303.793	3.542	50	20	DHGD	
N#Cc1ccc(CNC(=O)C2CCC(Cl)CC2)cc1Cl	1347042739	KTWBGJUXJCRZTI-UHFFFAOYSA-N	311.212	3.625	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1cnn(C(C)(C)C)c1	1354685151	DFBMDZJSWNCNEM-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
C=CC1(CC(=O)NNc2cccc(C(=O)O)c2C)CCCCC1	1602828375	DVXQUNFBISAEQG-UHFFFAOYSA-N	316.401	3.663	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNc1ccc(C(=O)O)c(F)c1	1605266379	RKIJRKKSIGJDQG-LBPRGKRZSA-N	324.396	3.964	50	20	DHGD	
CCCCC[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	36900417	DAORULFWQZZSEB-ZDUSSCGKSA-N	317.882	3.715	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1ccc(F)cc1	45080551	QMJMADZVNZZPQO-GFCCVEGCSA-N	304.390	3.591	50	20	DHGD	
CCN(c1ccc(C(=O)NNc2cccc(C)c2)cc1)C(C)C	109428077	PUHCQGYIFZMNGO-UHFFFAOYSA-N	311.429	3.987	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(C3CCCCC3)cc2)nc(C)n1	128668373	OHQBXTGYLRYNSZ-UHFFFAOYSA-N	324.428	3.898	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc(C(F)(F)F)n2)cc1	155950285	UGZRUAQZSVZTDN-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1cccc2cnccc12	178508133	KIUYPHCMQUOVJY-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
O=C(NNc1ccncc1)c1cccc(Oc2ccccc2)c1	180482970	CPZMMRLIXBIMJM-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
CC[C@H]1C[C@@H](C(=O)NNc2c(Cl)cccc2Cl)CCO1	184210052	FJOFPWPVWWOOEX-UWVGGRQHSA-N	317.216	3.642	50	20	DHGD	
COc1cc(SC)ccc1NC(=O)NNc1ccc(F)cc1	192680306	FHYKXRDQERSEDA-UHFFFAOYSA-N	321.377	3.705	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)nc1)NNc1cccc(Cl)c1	255194628	CWCFQYRVKWRDIK-ALCCZGGFSA-N	308.168	3.545	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(Oc2cnccn2)cc1	255442814	HYXZITUERKKEMZ-RVDMUPIBSA-N	323.352	3.519	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(C#N)cc1)C(C)C	279327704	GWULEMXMCMXEKT-UHFFFAOYSA-N	307.235	3.720	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCCc2cccnc21	281774514	MMORMJDBEGQNIU-MRXNPFEDSA-N	309.413	3.516	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(C(F)F)cc1	728715899	JUZGBXAJXLOJQT-UHFFFAOYSA-N	316.229	3.798	50	20	DHGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)CNc2ccccc2)cc1	741837187	KWCZISITSVIBPY-GOSISDBHSA-N	321.424	3.847	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2cccc(C(F)(F)F)c2)o1	743300148	ZVTLANWISMUQBY-JTQLQIEISA-N	312.291	3.854	50	20	DHGD	
O=C(NCCCCC1CCCC1)NNc1ccc(Cl)nc1	745915250	YIZVLYBALDCQMO-UHFFFAOYSA-N	310.829	3.722	50	20	DHGD	
O=C(CC1CCCC1)NN=C1CCSc2c(F)cccc21	749450465	VLFTXOFYTUFGPL-UHFFFAOYSA-N	306.406	3.722	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2c(c1)COC2	752811274	ZRYNOTRRTLIVRL-UHFFFAOYSA-N	323.179	3.781	50	20	DHGD	
CC(C)(C)[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	753229843	RYFFCLLHTIDTFW-BAAYTWLHSA-N	300.377	3.627	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)COc2ccc(Cl)c(C)c2)c1	760137370	WPRWZAHAYPIXNU-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2c(F)cccc2Cl)c1	770198682	YVBROERCCQMFKU-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2nccc3ccccc23)ncn1	773176154	KERWRDLZDIJMCN-JYRVWZFOSA-N	304.378	3.811	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cc(F)c(F)c(F)c2)cc1C	778231520	FWCTTWCJJIHGRF-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N(C1CCCC1)C1CC1	781085158	XGGWYUCODYGMGT-GFCCVEGCSA-N	302.256	3.730	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1OC	781100877	PHDVIXBNLWBXOJ-PDGQHHTCSA-N	318.376	3.571	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1cc(F)cc(F)c1	782311183	SULHHHAWVIOXDC-LLVKDONJSA-N	321.161	3.818	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C)c(C)c2Cl)c1	783590069	RCBACMSPRFRTEQ-UHFFFAOYSA-N	322.767	3.861	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@@H](C)c1cccc(F)c1	788188366	INACDZTZAGJMSG-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Cc1cccc(Cl)c1	791100270	OZYKTMCZLRRCHJ-JTQLQIEISA-N	303.880	3.646	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc2occc2c1	794879987	OPNHHQMMPBMVOK-UHFFFAOYSA-N	317.348	3.607	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2cccc(F)c2o1	795523697	GAPJZJPMDCVXRE-UHFFFAOYSA-N	313.122	3.680	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1cccc(Cl)c1	798865822	GHDHQGZAXZWRRU-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H](CCO)c1cccs1	808746021	IGKSEVLPONDZOV-ZDUSSCGKSA-N	315.555	3.783	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)c1cc2ccccc2o1	814866947	KZBYAROMCCNWPP-UHFFFAOYSA-N	310.378	3.965	50	20	DHGD	
CCCCC/C(C=NNC(=O)Cc1cc[nH]n1)=C/c1ccccc1	814956223	OBLPXFDNHFTJGJ-WIYGTMGCSA-N	324.428	3.718	50	20	DHGD	
Cc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)cnc1Cl	815004189	ALEKXYQYLBGPOF-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
Cc1cc(Cl)c(C(=O)NNc2cccc(Cl)n2)cc1C	817010635	KMNWYZNCTGYHTB-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H](F)c1ccc(C(F)(F)F)cc1	819795058	RWOIJVGVSLSSCF-VIFPVBQESA-N	318.097	3.636	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)N(C)CC(Cl)Cl)c1	819843656	RJKBRUYFCIZEIR-UHFFFAOYSA-N	306.258	3.658	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CSc1ccc(Cl)cc1	819848386	IWXTUUPGJBFVJD-UHFFFAOYSA-N	312.649	3.694	50	20	DHGD	
O=C(CCCC(=O)C1CC1)NNc1cc(Cl)cc(Cl)c1	830334607	MCQOXPJGGZYHMF-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc2c(c1)OCCCCO2	834409693	YZOBRSOZLHXGFK-GDNBJRDFSA-N	323.348	3.929	50	20	DHGD	
O=C(NN=Cc1cnc(-c2ccccc2F)s1)C1CCCC1	834939981	YVHUANKLCNDCAI-UHFFFAOYSA-N	317.389	3.590	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@]2(C#N)CC23CCCC3)c(Cl)c1	836935223	PGPBUMXTENYFBZ-INIZCTEOSA-N	303.793	3.566	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCSc2ccccn2)cc1	837053213	AGMVGJYYWSCGSB-UHFFFAOYSA-N	315.442	3.831	50	20	DHGD	
CO[C@@H](Cc1ccccc1)C(=O)NNc1ccc(C(C)C)cc1	837053408	OATJLUQTXXMNEB-SFHVURJKSA-N	312.413	3.511	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CCCSC2)cc1	838592483	QIROAGNTGJNETN-CYBMUJFWSA-N	307.463	3.579	50	20	DHGD	
CCCCCCO[C@@H](C)C(=O)NNc1cccc2cnccc12	839709435	QBUOBLRHMBGRSR-AWEZNQCLSA-N	315.417	3.663	50	20	DHGD	
CC(C)c1ccsc1C(=O)NC[C@@]1(C)C[C@H]1Br	857399098	BNJFJDDHRBGTMF-ZWNOBZJWSA-N	316.264	3.775	50	20	DHGD	
Cc1cccc(Cl)c1C(=O)NC[C@]1(C)C[C@H]1Br	857688952	RUKGTSOMBDSKEX-MFKMUULPSA-N	316.626	3.552	50	20	DHGD	
CCCCC1CCC(C(=O)NNC(=O)c2ccccc2F)CC1	859381175	HRLPSKBLGWZOCV-UHFFFAOYSA-N	320.408	3.583	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)[C@H](C)CC)cc1OCC	915973955	GQTIRLZPUADRQK-CQSZACIVSA-N	320.433	3.760	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)c(F)c1	916350667	AFZRDIMVFLONKV-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)CSc1ccc(C)cc1	917028656	UCRPXEPGPDIEEA-UHFFFAOYSA-N	316.426	3.805	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(C)c(Cl)c2)C1	1116873691	GDOKWQLKUCBPGA-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H]2CCCC[C@H]2C1	1320339527	YQQXWFHAEHYWEU-SJCIKDTPSA-N	312.388	3.771	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCOC(C)(C)C1	1337280051	WTJYPLXGAPIFKF-CQSZACIVSA-N	304.434	3.767	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2ccc(C)c(Cl)c2)c1	1340583927	UBSHZTPJAIEKEH-UHFFFAOYSA-N	302.761	3.608	50	20	DHGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NN(C)c1ccccc1	16236624	CWJLFZWICJYIAU-UHFFFAOYSA-N	317.392	3.838	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)cc1	63275855	WMSFXCKIWWZOJE-UKTHLTGXSA-N	308.385	3.561	50	20	DHGD	
N#C/C(=C/c1sc2ccccc2c1Cl)C(=O)NC1CC1	65515535	FLQTZLQFAKXTJK-CLFYSBASSA-N	302.786	3.740	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1	131494724	LZGXWLOVOGLDHV-CNHKJKLMSA-N	323.327	3.657	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnn(C3CCCC3)c2C)c1	134714364	HGWSXMUGNLTTEN-UHFFFAOYSA-N	312.417	3.680	50	20	DHGD	
CC(C)(CCC(=O)NNc1ccncc1Cl)c1ccccc1	152332656	ICDMSJWSJCZCPD-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1	154286137	CYYXATZABWVEMQ-SFQUDFHCSA-N	302.333	3.687	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCc2csc(C)n2)c1	158996431	DKQWCAPUHZIMEZ-UHFFFAOYSA-N	303.431	3.534	50	20	DHGD	
N#C/C(=C/c1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccccc1	171909649	OKAVCFWYANNLOU-PTNGSMBKSA-N	314.348	3.622	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@@H](N2CCCC2)CC1	175451657	RLKHVPRENODGPS-LMDZTEHRSA-N	313.420	3.640	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C1(Cc2ccccc2)CC1	178515119	LWSMREOAFOYJIV-UHFFFAOYSA-N	317.392	3.701	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc2scnc2c1	184255750	IPEAKHXCDQCHRU-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
C=C(CBr)CN[C@H](C)c1ccccc1OC(F)F	279731132	NQUZCBZXODNOCR-SNVBAGLBSA-N	320.177	3.890	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1C	741764887	DAFVVFWOXKCSOR-UHFFFAOYSA-N	310.401	3.607	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)C1CCCCCCC1	743485971	SBDCVFCCTHBJIK-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CC(C)(C(=O)NN=C/C=C/c1ccc(F)cc1)c1ccccc1	747751857	SMRZYMQZKQVHAE-VJHKLOOISA-N	310.372	3.919	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)[C@@H](C)c1nc2ccccc2s1	748778227	GWDZMYMZGGFRIB-LLVKDONJSA-N	324.409	3.601	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)c1occc1C	753174390	RUCKEBXAQBXZPD-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
CCCc1ccc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	754539945	ZOURSUWXDWTLAT-PDGQHHTCSA-N	321.376	3.995	50	20	DHGD	
Cc1ccnc(COC(=O)CCCC[C@H]2CCSS2)n1	756159768	ZGFIOLAMRJKLMH-LBPRGKRZSA-N	312.460	3.542	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cc2ccccc2s1	758369960	CBPWANHTNVBUHE-UHFFFAOYSA-N	312.369	3.733	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2ccncn2)cc(C)c1OC(F)F	758914875	IUTYSHIXECXQOC-NTUHNPAUSA-N	301.296	3.759	50	20	DHGD	
Cc1cccc2c1CN(C(=O)[C@H](Br)C(C)(C)C)CC2	760669420	UCNNPKPOMZPKEK-AWEZNQCLSA-N	324.262	3.689	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2c(Cl)oc3ccccc23)o1	761266998	LHYYNVPOYSQFPH-UHFFFAOYSA-N	302.717	3.752	50	20	DHGD	
N#C/C=C/COc1c(Br)cccc1Br	763306311	YYLGIQLHJYPSCT-OWOJBTEDSA-N	316.980	3.670	50	20	DHGD	
O=C(NN=CC1Cc2ccccc2C1)c1ccc(Cl)cc1F	766453225	ARVOBDVEBOFIAH-UHFFFAOYSA-N	316.763	3.610	50	20	DHGD	
O=C(NCCC1=CCCCCC1)NNc1ccc(Cl)nc1	768457085	YJMUSBVSKKZSFX-UHFFFAOYSA-N	308.813	3.642	50	20	DHGD	
O=C(NN=C1CCCOCC1)c1cc2c(s1)CCCCCC2	770591082	FTDOKKAYNYTMRW-UHFFFAOYSA-N	320.458	3.693	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(F)c1C(=O)OC	773619845	MFDIINAJJMSSHW-LBPRGKRZSA-N	324.396	3.662	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	779910058	LMGHXCLPVLQYCP-HJWRWDBZSA-N	315.200	3.501	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1c[nH]c2ccccc12	782119860	QEGORWQPIAVBDN-UHFFFAOYSA-N	303.774	3.647	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc(Cl)cs1)c1ccccc1	782229868	GUIACEQNIIVTRM-UHFFFAOYSA-N	306.818	3.829	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)Nc1nccs1	788731853	KPXWLJIZTFQTML-FLIBITNWSA-N	317.801	3.905	50	20	DHGD	
C[C@H]1CN(/C(=C\C#N)c2ccc(F)cc2)Cc2ccccc2O1	795419662	ZIPQFIGBCHVVEQ-KPYNCUPYSA-N	308.356	3.973	50	20	DHGD	
Cc1ccc(NNC(=O)c2cscc2Br)cc1	806398573	MPWFMAKXASVONN-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](C)C[C@H]1c1ccco1	807229303	ULRKTXSSMPUWII-NEPJUHHUSA-N	314.476	3.773	50	20	DHGD	
O=C(CCCC1CC1)NNc1ccnc2cc(Cl)ccc12	812455749	QUWBYKFLGDDUPM-UHFFFAOYSA-N	303.793	3.912	50	20	DHGD	
Cc1cccc(OCC(=O)NN=C2CCCC23CCCC3)c1	814716673	PFDAFQYLRWZTHF-UHFFFAOYSA-N	300.402	3.590	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCC[C@H]1CCOC1	816437995	UWFCGAKJQPFNBN-CHWSQXEVSA-N	304.477	3.670	50	20	DHGD	
CC(CC(C)(C)C)=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	834964430	UNJLLVHEQGWVJJ-UHFFFAOYSA-N	316.380	3.758	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)c(-c2ccnn2C)c1	840734932	LJFLADAHHMLLKK-GXDHUFHOSA-N	311.360	3.620	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(C)o1	843270334	UVPJWGMIVQBHDA-IGVUGNCQSA-N	311.385	3.901	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2cc(F)ccc2C)cc1	855367739	ZYKILLBWPHUWAK-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
CCC1(C(=O)NNc2nc3ccc(Cl)cc3s2)CCC1	856234351	VRFKVWYGRPSBJH-UHFFFAOYSA-N	309.822	3.973	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1[C@H]2c3ccccc3C[C@H]21	860322634	LXNABNYORJKIFO-YZGWKJHDSA-N	318.420	3.594	50	20	DHGD	
Cc1cnc2c(c1)N(C(=O)CCCC[C@H]1CCSS1)CC2	888142237	RBORWBHVYDKAGV-ZDUSSCGKSA-N	322.499	3.993	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)NCC(C)(C)CCC#N	922485694	HXKDIZDFJFATSE-UHFFFAOYSA-N	308.813	3.605	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccn2)c(Cl)c1Cl	1116498376	LOLKMJVGEUOMIZ-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)c1ccccc1Cl	1317712498	LJPFOBPYKKFFBT-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
C[C@H](NC(=O)CCl)c1ccc(OCc2ccc(F)cc2)cc1	1319674560	PLUFMQNEQHBDHS-LBPRGKRZSA-N	321.779	3.821	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cncn1-c1ccccc1	1323620191	YHJZNDFXBSHFAX-CQSZACIVSA-N	312.417	3.804	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	8201665	UJXOVDKAIOQEAT-GXDHUFHOSA-N	308.312	3.574	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1csc([N+](=O)[O-])c1	59404804	SAZBMEUXEKWASM-SDQBBNPISA-N	313.338	3.510	50	20	DHGD	
N#Cc1ccccc1-c1ccccc1C(=O)NNc1ccccc1	72689852	XNDSJVUVGOMOKX-UHFFFAOYSA-N	313.360	3.982	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(OC(F)F)cc1)C1CCCC1	152709371	BZNBTKKNMQVYNG-UHFFFAOYSA-N	312.360	3.948	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(C)c1	153737502	SMIRHAXHDHZHQD-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cc1	179602199	YAWFLPMNCNVGJM-NTCAYCPXSA-N	316.320	3.845	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2ncccc2Cl)cc1	265141803	IRYHZCVFDSQCMI-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
CCc1cc(O)ccc1NC(=O)[C@H](Br)C(C)(C)C	276922792	PVOMTYSYTBVLCD-LBPRGKRZSA-N	314.223	3.703	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1ccc2c(O)nccc2c1	285821409	WGEGWTLHJFJGBJ-LBPRGKRZSA-N	301.390	3.600	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(Cl)c(F)c1	293310269	IAZOSZWJKNHHCS-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
C[C@H](c1nc2ccccc2n1C(F)F)N1CC=C(C#N)CC1	299582645	HUQKMGHDWSEVSD-LLVKDONJSA-N	302.328	3.648	50	20	DHGD	
CN(NC(=O)C[C@@H](c1ccccc1)C(F)(F)F)c1ccccc1	728599802	JNIWTKLTHXCFLX-HNNXBMFYSA-N	322.330	3.890	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(C(F)(F)F)cc1	731320038	GGJBYRLAMCIUBI-UHFFFAOYSA-N	324.277	3.537	50	20	DHGD	
CCO[C@H](CCNC(=O)NNc1c(C)cc(C)cc1C)C(C)C	746422964	ZYLNJOQTZZWDGR-MRXNPFEDSA-N	321.465	3.689	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2cc(F)c(F)c(F)c2)cc1	746758948	YWAPZCYHOMQECO-JTQLQIEISA-N	323.318	3.800	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)o2)cc1	747049021	BSCRKFGYQZQUEU-UHFFFAOYSA-N	315.332	3.582	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)CC(C)(C)C	748585015	YSRSVUXZZIJVIQ-MDWZMJQESA-N	316.357	3.906	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCC2CCC2)cc1C(F)(F)F	749542667	JPXFXUXDSBEQDD-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
CC[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752437354	DLAIXMRBUNZGKY-RIYRZUHRSA-N	300.377	3.818	50	20	DHGD	
C[C@H](CCCC(F)(F)F)NC(=O)NNc1ccc(F)cc1	756038764	YPHKIDSWPZATAF-SECBINFHSA-N	307.291	3.573	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCCc1cccs1	766750283	HBNBCSNFBKBVBU-SNVBAGLBSA-N	305.237	3.643	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCF)c(C)n1CC(C)C	767262647	LRSMDNZSZZLBBA-SXGWCWSVSA-N	306.381	3.571	50	20	DHGD	
CC(Cc1ccncc1)=NNC(=O)Cc1ccc2ccccc2c1	767770353	BFHVZIJIZHSHLJ-UHFFFAOYSA-N	317.392	3.512	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(Cl)cc1Br	769793583	SZFJTABQMJHQRD-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
Cc1ccc(C(C)C)cc1O[C@@H](C)C(=O)N1CC=C(C#N)CC1	780686864	PSQWAFWMXCBEHA-HNNXBMFYSA-N	312.413	3.568	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CCCCS1	783504333	JPOSIIMFUJWFDM-OAHLLOKOSA-N	317.366	3.939	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1COc2ccccc21	791727002	QRMMNQOELFQYTN-CYBMUJFWSA-N	323.179	3.613	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1	793404342	HBQNVWSUAUXIFD-QIPHDZALSA-N	324.424	3.639	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2c(C)cc(C)cc2C)C1	793706516	MOLBSGIOIZOBDK-HZPDHXFCSA-N	304.434	3.650	50	20	DHGD	
COC(=O)N(C)N=Cc1c(-c2ccccc2)n(C)c2ccccc12	794962284	RQVITXNZGBSVMQ-UHFFFAOYSA-N	321.380	3.877	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cnn(-c2ccccc2)c1	797402582	HMFWIAKQYRSRAY-HUUCEWRRSA-N	324.428	3.804	50	20	DHGD	
CN(CCc1ccncc1)Cc1ccc(OCCCCl)cc1	798186426	GLZFRSIIWHHONU-UHFFFAOYSA-N	318.848	3.764	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)ccc1C#N	799497187	KAFXXDPXXKJKEB-GIJQJNRQSA-N	316.360	3.974	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1	800411771	XSWPFXXICJJUDR-NVMNQCDNSA-N	314.392	3.503	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(C)C)cc1	805384352	DLIXCANOUWZYGF-UHFFFAOYSA-N	313.357	3.784	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2cc(C)cn2c1	807473709	MNJYUUDQEJEKHE-UHFFFAOYSA-N	307.397	3.875	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1c[nH]c(C(F)(F)F)c1)c1ccccc1	807971457	WICQZOXFPKUDEY-CYBMUJFWSA-N	323.318	3.677	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(OCCCCl)cc1	811686512	DBJQQFBOTKMRDC-GXDHUFHOSA-N	307.777	3.553	50	20	DHGD	
N#C[C@@H]1CCCC(=NNC(=O)c2c(Cl)cccc2Cl)C1	814833668	OWAIWDVMENICPU-SECBINFHSA-N	310.184	3.793	50	20	DHGD	
CC[C@@H](CC(=O)NNc1nc2ccccc2n1C)c1ccccc1	816578440	BYEWBNMYFHBPLU-AWEZNQCLSA-N	322.412	3.600	50	20	DHGD	
CC1CC(C#N)(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)C1	826679672	NMJICLDUEXSOAC-XOYHFGRZSA-N	322.525	3.549	50	20	DHGD	
COCc1csc(C(=O)NNc2cccc3c2CCCC3)c1	830801582	IBPLBQJLEGVLKW-UHFFFAOYSA-N	316.426	3.530	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1cccc(C2CC2)c1	834444983	ZPNTYBBZKVAFFN-DAXSKMNVSA-N	300.789	3.895	50	20	DHGD	
CC(C)C[C@H](C(=O)NNc1ncc(F)cc1F)c1ccccc1	837208101	XODQWNXACVRIQF-AWEZNQCLSA-N	319.355	3.633	50	20	DHGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(Cl)ccc2Cl)CS1	840420201	RJHQIAKUVRJNOQ-IONNQARKSA-N	320.245	3.514	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	841613461	ZNHFFFUDIFCKCB-MRXNPFEDSA-N	315.417	3.647	50	20	DHGD	
C[C@H](C(=O)N(C)CC(Cl)Cl)c1cn(C)c2ccccc12	848083998	DVXHJSNDXLERGV-JTQLQIEISA-N	313.228	3.544	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1nc2ccc(Cl)cc2s1	856236409	HMUXQAIRSNPZLX-UHFFFAOYSA-N	309.822	3.995	50	20	DHGD	
C[C@H](CCCC(F)(F)F)NC[C@@]1(C)C[C@H]1Br	857064218	SKWDWMLSVRSHBT-OPRDCNLKSA-N	302.178	3.871	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3cc(C#N)ccc32)C[C@@H]1Br	857082690	QCWDQSVVSSVCQK-HRCADAONSA-N	319.246	3.699	50	20	DHGD	
Cc1csc(C(=O)NC[C@@]2(C)C[C@H]2Br)c1Cl	857391419	PQVIXWDKGZUQQH-RDDDGLTNSA-N	322.655	3.613	50	20	DHGD	
C[C@]1(CNC(=O)CC/C=C/c2ccccc2)C[C@H]1Br	857400393	ZHCKYTSLVDRKNO-CCSFHNQDSA-N	322.246	3.770	50	20	DHGD	
FC(F)(F)[C@@H]1C[C@H]1NCc1ccc(OCCCCl)cc1	865753651	LFIKYQDZYFNEOU-CHWSQXEVSA-N	307.743	3.735	50	20	DHGD	
O=C(NN=C1CCSc2ccccc21)c1c[nH]c2ccccc12	916287953	QWVYXPTXYSWLCC-UHFFFAOYSA-N	321.405	3.798	50	20	DHGD	
CCOc1ccc(CNC(=O)NNc2ccccc2Cl)cc1	920342766	GJOPDKZTEZEEKB-UHFFFAOYSA-N	319.792	3.565	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1csc(C(C)C)n1)c1ccccc1	1116025628	OGJWEXZOCDYYSN-HNNXBMFYSA-N	315.442	3.910	50	20	DHGD	
CC(Cc1ccccc1Cl)=NNC(=O)c1ccc(C#N)cc1	1116120799	CXVZPUFWQNFURU-UHFFFAOYSA-N	311.772	3.560	50	20	DHGD	
N#C/C(=C/c1ccc2cnccc2c1)c1nc(N)c2ccccc2n1	1256048767	QQGCWKVNVWBDIT-YBEGLDIGSA-N	323.359	3.824	50	20	DHGD	
CC(C)(CNC(=O)c1cccc(CCl)c1)C1CCOCC1	1262644099	MZRSIIQYJYQQFD-UHFFFAOYSA-N	309.837	3.608	50	20	DHGD	
CCN(C(=O)CCl)[C@H](c1cccnc1)c1ccc(F)cc1F	1319675283	YRPYVKFMSXMZNH-MRXNPFEDSA-N	324.758	3.537	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@H]2CCCC[C@@H]2C)cc1Cl	1321785789	HDAINRNYAMNYRB-WFASDCNBSA-N	310.825	3.687	50	20	DHGD	
O=C(NNc1ccccc1F)C(F)(F)c1ccc(Cl)cc1	1322844246	FVABYUJNFFBAFE-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
Cc1ccc(NNC(=O)c2oc(C(C)C)nc2C)cc1Cl	1326425091	DFAPOXOQLIQTNP-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
O=C(NN=C1CCCc2ccccc21)c1c[nH]c2ccccc12	370073	LQDPLSSLDPCZAU-UHFFFAOYSA-N	303.365	3.638	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(c2ccc(Cl)cc2)CC1	66281951	MDMZDSOJNPVOGK-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
CCO[C@H](C(=O)NNc1ccc(Cl)cc1)c1ccccc1	120236647	UDRFPWIDHYRYLM-HNNXBMFYSA-N	304.777	3.561	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cccn2Cc2ccccc2)c1	150776563	ZNAOMYBLFCNGSG-UHFFFAOYSA-N	323.371	3.741	50	20	DHGD	
Cc1cccc(OCCCCC(=O)NNc2ccccc2F)c1	152983103	XKQVPIHJKFFILQ-UHFFFAOYSA-N	316.376	3.827	50	20	DHGD	
C=C[C@@H](CO[Si](C)(C)C(C)(C)C)N[S@@](=O)C(C)(C)C	169992713	LYWXLNZTROQRSS-SGTLLEGYSA-N	305.560	3.615	50	20	DHGD	
CCCCOc1ccc(NC(=O)NNc2ccccn2)c(C)c1	180686265	NDWFRDKINZIOBA-UHFFFAOYSA-N	314.389	3.718	50	20	DHGD	
CC[C@H](C)[C@H](C)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	188423743	KRHRBGLRIILPQW-LJLNYXAJSA-N	312.413	3.725	50	20	DHGD	
Cc1ccc(NNC(=O)COc2cccc3ccccc23)cc1	192815944	JKVMVZQNVUVJNJ-UHFFFAOYSA-N	306.365	3.670	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1	216030984	SNHDOWDNDVZTCO-QINSGFPZSA-N	322.364	3.640	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1F	255565382	KEBRDIDFSHPQLH-MPMPPSQCSA-N	308.356	3.919	50	20	DHGD	
Cc1cccnc1NNC(=O)CCCc1ccc(Cl)cc1	276660891	BSEDKMRCZSTCCH-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2nc(C(C)C)c(C)s2)c1	279378762	GEBCLMINQXBDAB-UHFFFAOYSA-N	317.458	3.878	50	20	DHGD	
CCSc1cccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c1	281164582	PKCQADQXNXNKRX-AHSSXEFNSA-N	301.411	3.701	50	20	DHGD	
COCCOCc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1	289959175	QAPSGORXFQFQPZ-CXUHLZMHSA-N	314.410	3.679	50	20	DHGD	
CN(N=Cc1csc(Br)c1)C(=O)OC(C)(C)C	490732801	CUDIFIKFFGRDOX-UHFFFAOYSA-N	319.224	3.711	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)[C@@H](C)CN1CCCCC1	727254284	SVNIVSUXDHRDJK-HOTGVXAUSA-N	307.482	3.571	50	20	DHGD	
COc1cc(C)ccc1C(C)=NNC(=O)C(C)(C)c1ccccc1	731150258	FKRBNEIQZGOFBH-UHFFFAOYSA-N	324.424	3.822	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(C)ccc1OC)c1ccccc1	731931368	GHZKVLMLGQTFRX-QGZVFWFLSA-N	310.397	3.648	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1sccc1C1CC1	734552445	ZWAQRVDUEPPZTK-UHFFFAOYSA-N	312.316	3.800	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@H](C2CC2)C1	737422793	LECPYFAOKWEHIF-JSGCOSHPSA-N	318.392	3.665	50	20	DHGD	
Cc1ccc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)cc1	741771987	QHZIIBDLQZQOOL-UHFFFAOYSA-N	319.311	3.752	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CC23CCCC3)ccc1Br	747519330	YQERMWBKXRAQLF-GFCCVEGCSA-N	323.234	3.781	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCCC1	748001711	FWTZQXCPVGYGJC-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CC1(Cl)Cl	748510642	HYEOHXJOXYORRZ-ZCFIWIBFSA-N	313.999	3.630	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1Cc2ccccc2S1	748570339	SGHZRBWDIINBCJ-GOSISDBHSA-N	324.449	3.726	50	20	DHGD	
CC(CCc1ccc(F)cc1)=NNC(=O)CCc1ccccc1	749739362	BHAWFYOQFCVAAH-UHFFFAOYSA-N	312.388	3.883	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(-c2ccncc2)cc1	752172241	HMBBCSHMXZTXPY-UHFFFAOYSA-N	319.364	3.804	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC=C(c2ccccc2)C1	752758243	NOUSPGAQMSBXQT-PDGQHHTCSA-N	318.351	3.658	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ncnc2ccsc12	766678449	DMURYGYVAWURRO-NSHDSACASA-N	306.435	3.741	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1cccc(Cl)c1	767026685	JMGCFZLCOKXHNA-SWLSCSKDSA-N	310.825	3.769	50	20	DHGD	
CCC[C@@H](C=NNC(=O)CNc1ccccc1)c1ccccc1	769566956	LAFJQIKULYNLNS-KRWDZBQOSA-N	309.413	3.784	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)cn1	775243817	RUNPLCUFEOXBAR-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NOCc2ccccc2)cc1	780831736	NZQLGDPQROXWHT-UHFFFAOYSA-N	313.401	3.742	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C(C)(C)c2cccnc2)cc1	781042924	XQLGREIKBGLWDT-UHFFFAOYSA-N	311.429	3.800	50	20	DHGD	
Cc1cc(CNC(=O)[C@H](Br)C(C)(C)C)ccc1F	781069821	FWGFWVHKLLMFLL-LBPRGKRZSA-N	316.214	3.560	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2nc(C)n(C)c2c1	799757107	VESFPDAFJNLRFB-UHFFFAOYSA-N	322.412	3.509	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1scnc1C1CCCC1	808248489	LJFNAIKNURMGHP-UHFFFAOYSA-N	307.246	3.676	50	20	DHGD	
CCC[C@]1(NCc2ccc(OCCCCl)cc2)CCOC1	811506719	ZSJCHRSXNGMXTL-KRWDZBQOSA-N	311.853	3.743	50	20	DHGD	
CC(C)N(C)C[C@H](C)NC(=O)CCCC[C@H]1CCSS1	811600923	MPCDUCRADCMMIW-KBPBESRZSA-N	318.552	3.545	50	20	DHGD	
CC[C@@H](C)CONC(=O)NNc1cc(Cl)ccc1Cl	813830196	CVABYOJFDPGMBZ-MRVPVSSYSA-N	306.193	3.597	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1cccc(Cl)n1	817009559	QAKBYWMFCYMATP-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
CN(NC(=O)c1ccc(SCc2ccccc2)cc1)C1CC1	819647622	QAGWYANAQKIMGD-UHFFFAOYSA-N	312.438	3.718	50	20	DHGD	
CN(NC(=O)CCCCc1ccc(Cl)c(Cl)c1)C1CC1	819649839	ZGSKMUPIXHDOEI-UHFFFAOYSA-N	315.244	3.832	50	20	DHGD	
CCC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCCC1	832967991	GTCBEESFFVNGQE-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)Cc2ccc3ccccc3c2)CC1	834940148	FPGAGZWEXFQOKS-UHFFFAOYSA-N	319.408	3.958	50	20	DHGD	
CC(C)c1ccc([C@@H](C)OC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	837972639	WBCVALORXGPJNY-BBSXFRJVSA-N	323.396	3.755	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(Cl)nc1	851978924	UPIIDNDOFILZTH-PEXQALLHSA-N	303.631	3.559	50	20	DHGD	
CCCC[C@H](C(=O)NNc1cnnc2ccccc12)C(C)C	857124997	CDQGWQSSZARACO-ZDUSSCGKSA-N	300.406	3.535	50	20	DHGD	
CN(NC(=O)C1(c2ccc(F)cc2)CCCC1)c1ccccc1	899894617	RJXIBQTWOXSVHZ-UHFFFAOYSA-N	312.388	3.805	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1	916131480	ICFASIOZIILDQD-VBKFSLOCSA-N	316.364	3.867	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Cl)nc3ccccc23)cc1	916240067	JQVNZZPXWFXYOE-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
O=c1[nH]c(CCCCl)nc2cc(-c3ccc(F)cc3)sc12	917264684	MZIAZRQRFSMGFD-UHFFFAOYSA-N	322.792	3.962	50	20	DHGD	
Cc1cc(NNC(=O)N[C@H](C)c2cnccc2C)ccc1Cl	921757045	DKZMCZWFAKSNBU-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
CCc1ccc([C@H](c2cccnc2)N(CC)C(=O)CCl)cc1	1116437439	CRNHYDURSCNJAH-GOSISDBHSA-N	316.832	3.821	50	20	DHGD	
COc1ccccc1C(C)(C)NC(=O)C1CCC(Cl)CC1	1263726573	LYDUKESKHDTIEP-UHFFFAOYSA-N	309.837	3.844	50	20	DHGD	
Cc1nn(C)c2cc(NC(=O)C3CCC(Cl)CC3)ccc12	1347089081	MMHZRTKWQNAJTG-UHFFFAOYSA-N	305.809	3.618	50	20	DHGD	
O=C(O)Cc1ccc(NNC(=O)CCCC2CCCCC2)cc1	1608781178	RMKFCODCBQOIPF-UHFFFAOYSA-N	318.417	3.507	50	20	DHGD	
Cc1cccc(NNC(=O)c2nc(-c3ccco3)sc2C)c1	74292031	USZCWGASUIGGNH-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
O=C(CCCc1c[nH]c2ccccc12)NNc1ccccc1F	152781476	MRFFCCRBRZRSCS-UHFFFAOYSA-N	311.360	3.773	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2nc(C(F)(F)F)cs2)C1	152876944	ZEHYBYWHXIWJPE-IUCAKERBSA-N	321.368	3.821	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc2cc[nH]c12	175420147	MBDPHJOJLLDIHM-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
C=C[C@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1	179485595	HWYRNDVTJCVNKN-GFCCVEGCSA-N	302.324	3.768	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C/C=C/c1ccccc1	252474847	NJPGCXALJZTFET-LHQULTAUSA-N	303.365	3.526	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1ccncc1	255374586	YBTAETHQVACPSI-QINSGFPZSA-N	315.332	3.887	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@H]2c2sccc2C)cc1	294226418	FOKSWBJMNALANW-CABCVRRESA-N	316.426	3.702	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnn(C(C)C)c2)c1C	732713777	KXRSDWAOXJTQFH-LZYBPNLTSA-N	308.385	3.627	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)ccc1O	735618829	GIPVGQJDWVVWEE-MDWZMJQESA-N	305.337	3.650	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C2=NO[C@@H](c3ccccc3)C2)c(C)c1	743764691	UGMXWMGRGLBHJP-QGZVFWFLSA-N	323.396	3.573	50	20	DHGD	
N#Cc1ccc(NC(=O)NNc2cccc3c2CCCC3)cc1	747824185	PHMTYVNLDQIANQ-UHFFFAOYSA-N	306.369	3.586	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NNc1cccc([N+](=O)[O-])c1C	748682463	BZWHYBXNUKYXGW-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(F)cc2)c1C(C)C	753420408	HAYGIJIDMYEXRT-UHFFFAOYSA-N	317.364	3.545	50	20	DHGD	
CC[C@H](C)C=NNC(=O)COc1ccc(Cl)cc1Cl	755465809	QJCFNNXMIFHBGU-VIFPVBQESA-N	303.189	3.520	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl	761392508	NBVVPPZDQCVYRS-YRNVUSSQSA-N	306.724	3.601	50	20	DHGD	
CCN(Cc1ccc2c(c1)OCO2)/C(=C/C#N)c1ccccc1	764186830	JWVWWGVBAGKQJE-LICLKQGHSA-N	306.365	3.802	50	20	DHGD	
Cc1cccc(C(=O)OC[C@@H](C)CBr)c1Cl	770401447	YKIOKJHUOAOSFK-QMMMGPOBSA-N	305.599	3.836	50	20	DHGD	
COc1ccc(Cl)cc1NC(=O)NNc1c(C)cccc1F	771096304	UMQZAAXMRXOFAX-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cc2ccccc2s1	780188385	PBGOVEHFNHYYGV-UHFFFAOYSA-N	310.378	3.761	50	20	DHGD	
CC(C)CCO[C@@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780806129	YGSMHAAOWKCSOB-AWEZNQCLSA-N	306.450	3.878	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2C)c1	786056299	OUDZGLDVAALZRF-YVLHZVERSA-N	308.356	3.666	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)COC(=O)/C(C#N)=C\C2CC2)cc1	786665169	CZBWVHASGIPOJN-GDNBJRDFSA-N	311.381	3.570	50	20	DHGD	
Cc1cccc2c1CCCN2C(=O)/C(C#N)=C/c1ccc(O)cc1	787370387	QCGLVQCWVWXZCJ-FOWTUZBSSA-N	318.376	3.587	50	20	DHGD	
CSSCCNC(=O)c1cc2cccc(Cl)c2o1	791116534	MXRRMKXKBMHDTR-UHFFFAOYSA-N	301.820	3.827	50	20	DHGD	
C/C(=C/C(=O)NNc1ncccc1C)c1ccccc1Cl	791213255	YVRQNAXNOHGMIH-BENRWUELSA-N	301.777	3.590	50	20	DHGD	
CCO[C@H](CC(=O)NNc1cc(Cl)cc(Cl)c1)C(C)C	791739253	JMQSBIDFWYVUHO-CYBMUJFWSA-N	319.232	3.888	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](C(C)C)c2ccccc21	807233907	QFKZNUIZWDPPOB-ZDUSSCGKSA-N	310.488	3.967	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)nc1	810021644	JJSMQJMCNSDIFE-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1csc(-c2ccccc2F)n1	812227217	VIJLRFIHMNKLJG-SNVBAGLBSA-N	319.405	3.836	50	20	DHGD	
N#C/C(=C\c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cn1	812245607	VPBRTJYYVGCRDC-YRNVUSSQSA-N	317.251	3.655	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1cccc(Cl)n1	817008497	UPHVAGHHZNJHDN-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(F)cc2Cl)cc1	817882368	KHGORRLZXSDVQO-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2c(Cl)cccc2Cl)C[C@@H](C)O1	834953202	BFNSGYGUFZHSJG-DTORHVGOSA-N	315.200	3.667	50	20	DHGD	
CCOCCC1(CNC(=O)NNc2ccc(C(C)C)cc2)CC1	838526457	UQKOTHWKFKWSNB-UHFFFAOYSA-N	319.449	3.643	50	20	DHGD	
CC(C)(C#N)CC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378454	HNGVZCXUXKAVIA-UHFFFAOYSA-N	319.714	3.742	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc(F)n2)C[C@@H]1c1ccccc1	853442125	JYVUOHSGDWWHFG-CYBMUJFWSA-N	311.360	3.520	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(OCC2CC2)cc1	855366758	GTKZAJHHMLCSAB-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
C[C@@]1(CNCc2ccc(C(F)F)cc2)C[C@H]1Br	856808944	HAFXWEVUFGTRNF-YPMHNXCESA-N	304.178	3.887	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NC[C@@]2(C)C[C@H]2Br)cc1	857393484	LFCOVNHHUUHHLG-CZUORRHYSA-N	324.262	3.562	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2cccc(F)c2Cl)cc1C	862506573	CHWLRIWZQWBHJL-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc2cccc(C)c2nc1Cl	915974438	LDYBYRIWQJFPHS-SNVBAGLBSA-N	303.793	3.693	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)NCCc2cccs2)cc1	920831603	UBVICNLJMBSSMW-UHFFFAOYSA-N	315.442	3.747	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)c1ccc(F)cc1F	1321295291	XERXDOUXLVVIKC-BDAKNGLRSA-N	321.161	3.643	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)c1ccccc1Cl	1325846757	SHYBLGVTKLCXNA-ZDUSSCGKSA-N	313.788	3.789	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1(Sc2ccccc2)CC1	1330442011	SXHCZLAJCLLPNZ-UHFFFAOYSA-N	319.817	3.503	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NNc1ccc(F)cc1	45970693	AGZXHFSECCFELB-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccc(Br)cc1	48425708	GQOKBUVNURCIOF-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(NNc1ccccc1Br)Nc1ccccc1F	126340940	WBAYTMLBEIXUPQ-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2cccc(Cl)c2)cc1	175302946	WDENGOAQONSSJE-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1nccnc1Cl	175385660	YYHJPJZNVFADPD-GFCCVEGCSA-N	310.829	3.570	50	20	DHGD	
O=C(CCOCc1ccccc1)NNc1ccc(Cl)c(F)c1	175435786	IQQPCFRIWPCEKH-UHFFFAOYSA-N	322.767	3.529	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2c(s1)CCC2	181085115	UXZUWHBZZRXLIK-UHFFFAOYSA-N	309.394	3.542	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(F)c(O)c(F)c2)s1	255313568	HVVOSIKPPJEIEN-ONNFQVAWSA-N	305.305	3.830	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1F	588619253	UYDALKNAVNSEHF-WQLSENKSSA-N	301.342	3.994	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)CSc1ccc(C)cc1	729635989	BUYBGKSTWAZMCQ-UHFFFAOYSA-N	318.467	3.883	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)Nc3ccccc3C)c2c1	735612013	CTEOHOLTRWNXDJ-UHFFFAOYSA-N	306.369	3.940	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)CCCC1CCCC1)c1ccccc1	742661621	RBUMGBHXHRZDQB-QGZVFWFLSA-N	316.445	3.688	50	20	DHGD	
CN(C)C(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)s1	745602188	NBWJCGQDPQYDRV-UHFFFAOYSA-N	307.806	3.674	50	20	DHGD	
COC(=O)c1occc1/C=C(\C#N)c1nc(C(C)C)cs1	747437670	VTIWWOGUKAWMAH-IZZDOVSWSA-N	302.355	3.710	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1C[C@H]2CC[C@H]1C2	748751312	TUAGPCGREPUWJW-GVXVVHGQSA-N	323.234	3.637	50	20	DHGD	
O=C(NN=C1CCCc2cc(O)ccc21)c1cc2ccccc2o1	749818069	QNVADGUGKGFCME-UHFFFAOYSA-N	320.348	3.609	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@]2(C)CCc3ccccc3C2)c1	760134249	UQMTWCKTXVJRHH-IBGZPJMESA-N	312.388	3.772	50	20	DHGD	
CO[C@@H](C)C(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	763155833	LFNOZLJFULCWKX-NSHDSACASA-N	320.389	3.695	50	20	DHGD	
COc1cc(/C(C#N)=C/c2cc(F)ccc2F)ccc1[N+](=O)[O-]	766780281	XOUJKIKXZUZQDW-WUXMJOGZSA-N	316.263	3.946	50	20	DHGD	
COc1ccc(C(=O)NNc2cccc(Cl)c2)cc1C1CC1	767501932	ICQMWNFWVSUELT-UHFFFAOYSA-N	316.788	3.983	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)cc1	769607118	ZYCLOLQTJWKTEL-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c2ccccc21	769730010	WNVVZKXKAXZIML-SDNWHVSQSA-N	319.339	3.985	50	20	DHGD	
C[C@@H](CBr)COC(=O)C12CC3CC(CC(C3)C1)C2	770321363	BGLRYZPHXAGTLQ-OWWVKFPZSA-N	315.251	3.777	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)Cc1cccc(F)c1	770358495	MIISSVBGIFEKDY-WDEREUQCSA-N	317.198	3.579	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(F)nc2)c1C	777884781	SNEHNUZFQCWHCK-DHDCSXOGSA-N	309.344	3.615	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2cc(C)cc(C)c2)cc1	780345336	GLWKMEWHHNXIHY-UHFFFAOYSA-N	304.340	3.847	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2COc3ccccc3C2)cc1	780809640	WZHWPLQLZWPSOH-HNNXBMFYSA-N	324.424	3.679	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@@H](C)[C@@H]2C)o1	781122849	OHKRDTCSXARBDW-KGLIPLIRSA-N	319.449	3.663	50	20	DHGD	
CCOCc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1OC	781553836	YFGYFBJSTKYNKB-MHWRWJLKSA-N	313.397	3.898	50	20	DHGD	
CC(C)(CC(F)(F)F)NC(=O)[C@@H](Br)C(C)(C)C	781807025	NTGFCDHLSFJYHF-SSDOTTSWSA-N	318.177	3.643	50	20	DHGD	
COC(=O)N(C)N=Cc1cn(Cc2ccccc2)c2ccccc12	794962428	WQWNTXZYMYGSOY-UHFFFAOYSA-N	321.380	3.722	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)N(C)CC(Cl)Cl)c1	808247451	ZWWLUYWLPUDXQR-UHFFFAOYSA-N	312.649	3.938	50	20	DHGD	
CCN1CC[C@H]2CC[C@@H](C1)N2CCO[Si](C)(C)C(C)(C)C	808732823	TXHHOUBXKJOFDG-CVEARBPZSA-N	312.574	3.567	50	20	DHGD	
C=C(C)[C@@H]1OCC[C@@H]1CNCc1ccc(OCCCCl)cc1	811501417	LDFWOVNWSFOSIZ-AEFFLSMTSA-N	323.864	3.765	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc([C@H]3C[C@H]3C)o2)cc1	814999024	IFWQBEPTBJHWFZ-ABAIWWIYSA-N	313.357	3.567	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C(F)=C1CCCC1	819747891	YUEBYUXXXMNJTP-UHFFFAOYSA-N	304.152	3.629	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)N(C)CC(Cl)Cl)cc1	819847198	GHTJZAFZMPQAJR-UHFFFAOYSA-N	302.245	3.789	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1c(O)cccc1Cl	820510025	KWLMEVIFCGPSAN-SNVBAGLBSA-N	320.614	3.794	50	20	DHGD	
CCN(CC)C(=O)CSCCO[Si](C)(C)C(C)(C)C	821083931	COBKKDCGLOKQIK-UHFFFAOYSA-N	305.560	3.610	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)C(F)(F)F	824392010	UTYDHLJUIPADHJ-YFKPBYRVSA-N	316.110	3.570	50	20	DHGD	
Cc1cc(C)c(CNCc2ccc(OCCCCl)cc2)cn1	825221303	IDOSPCFPUZYNFZ-UHFFFAOYSA-N	318.848	3.996	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2ncccc2C(F)(F)F)CC[C@H]1C	825985027	VPSRJCXUHPPOIW-VWYCJHECSA-N	315.339	3.616	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(C(=O)O)c(Cl)c1)C(C)C	833647376	DMTWLVKFCFPQMI-NSHDSACASA-N	312.797	3.554	50	20	DHGD	
CCn1nc(C)c(NC(=O)NNc2c(C)cccc2Cl)c1C	836487099	DZEGMZKYOXXQKX-UHFFFAOYSA-N	321.812	3.630	50	20	DHGD	
CO[C@H](Cc1ccccc1)C(=O)NNc1ccc(C(C)C)cc1	837053405	OATJLUQTXXMNEB-GOSISDBHSA-N	312.413	3.511	50	20	DHGD	
N#CC1(C(=O)NNc2ccccc2Cc2ccccc2)CCCC1	846464921	VKKUVRWEWDBCDK-UHFFFAOYSA-N	319.408	3.804	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=CC2CCSCC2)cc1	853271278	GEQLNHINRRUVTA-UHFFFAOYSA-N	304.459	3.843	50	20	DHGD	
CCOC1CCC(=NNC(=O)Cc2cccc3ccccc23)CC1	853286784	LQXHVLDAXZOYLB-UHFFFAOYSA-N	324.424	3.834	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc3c(s2)CCCCCC3)n1	862524455	KVUMKSYUXMJNEN-UHFFFAOYSA-N	315.442	3.867	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC(=O)C1CCCC1	863061797	ZEYLPXWNAKVCOL-CYBMUJFWSA-N	315.504	3.576	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)[nH]1	865220092	CVXUXIRQFKMUDX-YRNVUSSQSA-N	315.398	3.835	50	20	DHGD	
O=C(COc1c(Cl)cccc1Cl)NNc1ccccc1	868083833	WCVFGQPYLFEIGB-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C1CCC(F)(F)CC1	885125090	KGHAFRJABAYWQB-UHFFFAOYSA-N	302.752	3.917	50	20	DHGD	
CCCCN(CC)C(=O)/C(C#N)=C/c1ccc(OCC)cc1	914109688	CDIUIDRUAXZOOE-DTQAZKPQSA-N	300.402	3.641	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(N(C)C)cc1	916253969	WJLXOTCYUPJAGN-UHFFFAOYSA-N	315.804	3.560	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1cc(C)ccc1C	916281414	XGXFFEUMXGXATF-UHFFFAOYSA-N	309.413	3.523	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	919844311	HEZWTZROZXSBCH-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
Cc1cc(NNC(=O)c2cc(C)n(C(C)(C)C)n2)ccc1Cl	928342457	XNUPJYMSABHCRN-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CC(C)[C@@H](C#N)C=NNC(=O)c1cc2c(s1)CCCCCC2	1319612922	NXQLPPUFAGIDEF-AWEZNQCLSA-N	317.458	3.918	50	20	DHGD	
Cc1cn(CC(=O)NNc2ccc(Cl)cc2)c2ccccc12	1320052241	JPUDRDIQILOFSW-UHFFFAOYSA-N	313.788	3.746	50	20	DHGD	
CCCC[C@H](C(=O)O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	1605235052	VVCWQLXGNWJCKE-UONOGXRCSA-N	315.530	3.726	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(Cl)c2)c1C	6329589	PEVXBGUWYKNLSO-RIYZIHGNSA-N	314.772	3.828	50	20	DHGD	
Cc1cccc(NS(=O)(=O)c2ccc(CCCl)cc2)c1C	20190860	HZXMZGGJFNMSKB-UHFFFAOYSA-N	323.845	3.886	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(Oc2cccnc2)c(C)c1	112224278	SFNQXGVTJUGDJF-WJDWOHSUSA-N	320.348	3.819	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C#N)cc1	120717306	FHLBJUMETMQDGE-LFIBNONCSA-N	317.348	3.503	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H]1CCCc2occc21	120737130	PIVQQGZOTRCGCI-LBPRGKRZSA-N	305.765	3.637	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)/C=C/c2ccc3ccccc3n2)c1	127699579	LYVKDVRARDONKI-PKNBQFBNSA-N	321.355	3.839	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ncc(Cl)cc1Cl	133089702	KJVKVYQNDNGOBX-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2cc(C)ccc2C)c1	159312158	GKMIXNLANPASGV-OAHLLOKOSA-N	312.413	3.949	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2cccc3cnccc23)c1	178524794	BXJALEXYZSRIEU-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c1	180254771	QYNCSSQKLVVYMT-UVTDQMKNSA-N	322.412	3.572	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3o2)c(C)c1	186376569	BWXANYOAQVUSTM-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1ccc(Br)cc1	194149760	LAWPAXUMXNLEAY-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1F	194540403	GJVBVTXCWZEHKE-UUILKARUSA-N	317.266	3.902	50	20	DHGD	
Cc1ccccc1C=NNC(=O)c1cccc(Br)c1	252460999	JTPFVPFIULCPOO-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNc2cccc(Cl)c2)CCO1	272990774	MRPBSOSRKYOWAO-DOMZBBRYSA-N	310.825	3.624	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)c1C	289977891	RQVKJFZDYQNCNZ-LICLKQGHSA-N	307.397	3.927	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@@H](C)C1CCCCC1	725908155	BHTOZXQTDHQSRS-CQSZACIVSA-N	317.433	3.754	50	20	DHGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=Cc1ccccc1	730568541	OBFMTFRHLUFDJT-UHFFFAOYSA-N	321.405	3.503	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2scnc2C)c(Cl)c1	743441380	HNZVNYKQIHIUFE-UHFFFAOYSA-N	308.794	3.569	50	20	DHGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1ccccc1F	748056225	KYORDVHQYMGCLN-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCC1	748502168	RTKGKJRSOBMTHH-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(C2CC2)on1	748512624	QBWGXFODFNYZMB-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C(C1CC1)C1CC1	753769279	MPHKXJJTFRDJSS-UHFFFAOYSA-N	315.804	3.768	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNC(=O)OC(C)(C)C	754173933	MUPVDKQIBXNKSV-QWHCGFSZSA-N	318.417	3.532	50	20	DHGD	
CN(Cc1cccc(N(C)C)c1)/C(=C/C#N)c1ccc(F)cc1	760865675	KBHHNODVGUEKEC-YBFXNURJSA-N	309.388	3.888	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(Br)cc1)C(C)C	763564801	SIEWILPZUSAREJ-ZDUSSCGKSA-N	313.239	3.965	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)c2cccc3ccsc23)cc1	767046951	MPXLQEYQNKLABG-UHFFFAOYSA-N	324.405	3.539	50	20	DHGD	
C[C@H]1CCC[C@@H](C=NNC(=O)Nc2ccc(N(C)C)cc2)C1	768360804	ANMCCGACQXKKPS-UONOGXRCSA-N	302.422	3.686	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)OC[C@H](C)CBr	770318447	OJOUQKRLLOKQJG-SECBINFHSA-N	310.191	3.664	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCc2cc(F)ccc21	771305393	QRJVGVKZLCVDQH-OAHLLOKOSA-N	317.339	3.587	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1ccc(C)o1	773094827	LGJBFGJETGNTBE-LBPRGKRZSA-N	320.776	3.549	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	773471019	XZMMEIUFIPRITJ-SNVBAGLBSA-N	311.769	3.518	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2ncc(Cl)cc2Cl)C1	775272225	BIWUWAFNBSFXTR-HXOPTJOXSA-N	300.189	3.578	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)C1CCSCC1	777427071	RZWICGZAVLHLKZ-UHFFFAOYSA-N	310.850	3.518	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCCC[C@@H]2CC)cc1OC	779760980	FOWRXLMAXPDNDD-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
CN(NC(=O)N[C@@H]1CC[C@H](Cc2ccccc2)C1)c1ccccc1	782654675	QETJRFRIZJEFQU-QZTJIDSGSA-N	323.440	3.748	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)o1	783686898	BMWYHWSTWPKKBM-TWGQIWQCSA-N	307.758	3.931	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@H](C)C[C@@H]1C	783821199	MEVFHZZGERWZOQ-QWRGUYRKSA-N	308.809	3.891	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CO[C@@H](C)C1	784041199	ZIEWYRKOSQULEU-FZMZJTMJSA-N	318.442	3.748	50	20	DHGD	
CCCc1nc(COC(=O)/C(C#N)=C\c2ccccc2)cs1	785346417	AYGHEDLGAGRYIL-ZROIWOOFSA-N	312.394	3.746	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1csc(Cl)c1	787148679	HOXWGNVCAGBCDG-UHFFFAOYSA-N	321.833	3.662	50	20	DHGD	
COc1cc(NNC(=O)N[C@H](C)CCC2CC2)ccc1Cl	789203654	RRGUYONSYRRQPL-SNVBAGLBSA-N	311.813	3.553	50	20	DHGD	
COc1cc(NNC(=O)C(C)(C)c2ccccc2)ccc1Cl	790177693	JUZAOTUTQNJAOI-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)COC2	791730893	IBWLXYYELHBEGJ-UHFFFAOYSA-N	323.179	3.781	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCC[C@@H](SC)C1	799588391	RXPXYLHVVJSUOB-HUUCEWRRSA-N	321.490	3.858	50	20	DHGD	
COCC1(CNC(=O)CCCC[C@H]2CCSS2)CCC1	800344331	FCMHJQFVODRVEX-ZDUSSCGKSA-N	317.520	3.633	50	20	DHGD	
O=C(NN=Cc1csc2ccccc12)NC1CCCCC1	812387014	FTYVTEQFBGENTD-UHFFFAOYSA-N	301.415	3.867	50	20	DHGD	
O=C(NN=Cc1cnn(C2CCCC2)c1-c1ccccc1)C1CC1	817321799	AMSFAISCOHCCKE-UHFFFAOYSA-N	322.412	3.525	50	20	DHGD	
CCc1nc(NC(=O)NNc2cc(F)ccc2C)sc1C	821459569	KSPORVMRGDUPLV-UHFFFAOYSA-N	308.382	3.610	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)[C@@H]2CCCCO2)c1	834990023	SVZXAZYTCPTQLW-IBGZPJMESA-N	322.408	3.681	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCC[C@H]1CCOC1	837067308	WOKLSZJVSXSTCR-KBPBESRZSA-N	317.520	3.633	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cccc(C#N)c3)cc2C1	839399799	AVBMTIKFHSNGMB-LBPRGKRZSA-N	323.421	3.508	50	20	DHGD	
Cc1cc(/C=C(\C#N)n2c(C(C)C)nc3ccccc32)nn1C	840722684	NEATXRDIJFKWLQ-XNTDXEJSSA-N	305.385	3.723	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	843835129	UXFMOLBKHWZLBH-WCBMZHEXSA-N	300.324	3.619	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(Cc1c(C)cccc1C)CC(C)C	843956728	MVBHWPRUBBYEIB-LGMDPLHJSA-N	314.429	3.732	50	20	DHGD	
Cc1noc([C@H](C)N(C)Cc2ccc(OCCCCl)cc2)n1	848926426	WZULGPPCPQSNPL-LBPRGKRZSA-N	323.824	3.579	50	20	DHGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)OCC(F)(F)F	853428862	XWFCGCKKAJLUAZ-UHFFFAOYSA-N	322.327	3.533	50	20	DHGD	
CC1(C(=O)NNc2nc3ccc(Cl)cc3s2)CCCC1	856234027	KBFWXBGCPYJGHF-UHFFFAOYSA-N	309.822	3.973	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@@H](C)Cc2ccc(Cl)cc2)n1	862521761	ZYRYEQKPPYTVRG-LBPRGKRZSA-N	317.820	3.755	50	20	DHGD	
N#C/C(=C\c1ccsc1C(F)(F)F)C(=O)NC1CCCC1	863181084	HPHRPQUCNGGZGO-JXMROGBWSA-N	314.332	3.733	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	866181534	BFLWNFJXNUEYJM-SFQUDFHCSA-N	301.434	3.728	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cc(C)c(C)cc1C	915973846	SHCFYTDWDZSUFT-UHFFFAOYSA-N	315.804	3.814	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1	921259293	MHHVWHVFDNZPEC-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
C(CC[C@H]1CCSS1)Cc1nnc(C2CCOCC2)o1	1255673106	IBRZEVKVLMVACE-LBPRGKRZSA-N	314.476	3.830	50	20	DHGD	
CN(Cc1cc(F)c(F)c(F)c1)C(=O)C1CCC(Cl)CC1	1347115231	DFVPVYFEWJBCLR-UHFFFAOYSA-N	319.754	3.860	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	1604614426	GWCWVIJHFJAGBM-LLVKDONJSA-N	322.792	3.618	50	20	DHGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)NCCc2ccccc2)cc1C	7158827	CXLBMOUJWMSYAO-DEDYPNTBSA-N	318.420	3.878	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1F	7907168	XDTYKDXHANSGIF-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1O	44028416	FOWHUCFLSJITBO-MDWZMJQESA-N	313.378	3.951	50	20	DHGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccc(F)cc2)c1C1CC1	89660337	JTVDEFQCSWBGIY-NSHDSACASA-N	316.380	3.628	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1	98008701	BOCYHPVYSMNBOH-XFXZXTDPSA-N	310.309	3.987	50	20	DHGD	
N#Cc1cccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1	124339289	LXWPMFKOCIOIOJ-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(C)c(C)s2)cc(OC)c1O	125427321	NDTDGDGKMVTEIS-XGICHPGQSA-N	316.382	3.547	50	20	DHGD	
CN(NC(=O)c1ccc(-c2ccccc2F)o1)c1ccccc1	139108398	LXCRFPKDSJPLCH-UHFFFAOYSA-N	310.328	3.867	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1	173014862	IAMHVAFWLWZMOY-IYSPOMMRSA-N	320.392	3.617	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc2c(c1)CCN2C	178889087	COFDWPKICGONKJ-XNTDXEJSSA-N	308.406	3.839	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc2ccccc2c(Cl)n1	178923534	ZNCKVRHPJIUHJW-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)c1nnc2n1CCCCC2	179173254	QVDZINSPLUFEHS-XYOKQWHBSA-N	316.767	3.861	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@@H]1CC=CCC1	179280357	KBBRIWRNLUGUNZ-SNVBAGLBSA-N	317.286	3.579	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C#N)cc1	179319990	FHLBJUMETMQDGE-WJDWOHSUSA-N	317.348	3.503	50	20	DHGD	
CCCc1cnc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)s1	183933418	VHGZWNSIULEQPX-WQLSENKSSA-N	315.373	3.780	50	20	DHGD	
CSSCCNC(=O)Nc1ccc2oc(C3CC3)nc2c1	284615585	RFUFRHGRMCDVOR-UHFFFAOYSA-N	323.443	3.838	50	20	DHGD	
Cc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)n1C	302860839	ZZQNPMLTECWJRJ-UHFFFAOYSA-N	319.408	3.685	50	20	DHGD	
C[C@@H](CBr)CNC1(c2ccc(Cl)cc2)CC1	381308121	KMMWHZRXWNEZBJ-JTQLQIEISA-N	302.643	3.950	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1nc(Cl)cs1	490782887	LUHYAFRSWZAKBL-IZZDOVSWSA-N	317.801	3.959	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCC[C@H]2C)c1	729141297	ZUYSOPBNSGZBRP-CQSZACIVSA-N	302.418	3.789	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CCC[C@@H]2c2ccccc2)cc1	732528677	ULKRYEPLHYEKRH-QGZVFWFLSA-N	303.365	3.612	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)Nc1ccc(OC(F)F)cc1	741771253	QMKRRVVIMWMDMZ-JTQLQIEISA-N	311.332	3.998	50	20	DHGD	
COCc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1	741848859	PHEPVMSHMGCHNU-BOPFTXTBSA-N	317.348	3.947	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(Oc2cnccn2)cc1	743055580	GGLBXGBCBNJNGC-LERPTODRSA-N	307.353	3.791	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CC(C)(C)CC	746021662	PAQOXMHDQDHZGK-UHFFFAOYSA-N	321.490	3.701	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NNc2ccc(Cl)c(F)c2)c1	746697279	PMJCYPCSNJRZSA-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCN(c2ccccc2F)CC1	750599568	BREKSAHUNJGAPC-VCHYOVAHSA-N	307.372	3.512	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)c(O)c1	752809647	GAXHFFRFIOSHEE-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
N#C/C(=C/c1ccccc1OCc1ccccn1)c1ccncn1	758914893	WTNGIDJMKWGHRG-WJDWOHSUSA-N	314.348	3.515	50	20	DHGD	
CC(C)(C)N(CCI)Cc1ccccc1	759383076	FVMQKRBCPQYKRF-UHFFFAOYSA-N	317.214	3.722	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2csc(Cl)c2Cl)c1	761806951	JTBWOJDQUNATPS-UHFFFAOYSA-N	324.192	3.690	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773145495	SEPSMIQISKHTCB-XFFZJAGNSA-N	322.261	3.973	50	20	DHGD	
N#CSCCCNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	773594625	XFISDNUIADDOLS-IRXDYDNUSA-N	310.422	3.664	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cnc3ccccc3n2)CCCC1	774795553	CUKVITBTISSICC-UHFFFAOYSA-N	312.417	3.679	50	20	DHGD	
COC(C)(C)CC(=O)NN(Cc1ccccc1)c1ccccc1	780374576	MVEROYCUCHMOLM-UHFFFAOYSA-N	312.413	3.540	50	20	DHGD	
CSC1(C(=O)NNc2ccc(Cl)cc2Cl)CCC1	787456853	CFACLDDAUZZVEW-UHFFFAOYSA-N	305.230	3.722	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)C1	796555023	AEUONRCGUSIWSE-KBPBESRZSA-N	321.373	3.712	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(C2CC2)no1	799705327	UBXDYWWAYANKEY-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(F)ccc(F)c1OC	799757418	VUHJBVSEMBWLLZ-UHFFFAOYSA-N	320.339	3.601	50	20	DHGD	
CCCN(NC(=O)c1coc2ccccc12)C(=O)OC(C)(C)C	804595148	KFEZCADKWCUCRG-UHFFFAOYSA-N	318.373	3.725	50	20	DHGD	
CSSCCNC(=O)CCCCCc1ccc(O)cc1	807513617	QXKWBGHCDLXBRF-UHFFFAOYSA-N	313.488	3.623	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCCC(C)(C)COC	807583715	XBQHSHWPUXVGSD-UHFFFAOYSA-N	321.465	3.636	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(C3=CCCC3)cc2)c1	810680612	VLMYHIJQLVLYJX-UHFFFAOYSA-N	303.365	3.882	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cn1ncc2ccccc21	812768865	KMKIIOGYGXONMQ-UHFFFAOYSA-N	322.412	3.611	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1cccc(C2CCC2)c1	812994054	GFPXEDDEYYQSNA-UHFFFAOYSA-N	300.337	3.637	50	20	DHGD	
CCCc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1	814508159	UATOAWKADYDPEK-UHFFFAOYSA-N	304.781	3.836	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3C[C@H]4CC[C@H]3C4)cc2C1	814759694	LDMPBKBKSDTPGG-SRVKXCTJSA-N	302.443	3.779	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2Br)CC=CCC1	827506038	JJFKGYUIWNPQOL-CQSZACIVSA-N	309.207	3.639	50	20	DHGD	
CC[C@@H](C(=O)NN=C[C@H](Cc1ccccc1)OC)c1ccccc1	834957582	LWOVDUPZWXQRLX-RBUKOAKNSA-N	324.424	3.540	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)C1SCCCS1	841406529	ZJBVWLXMDLGQTO-UHFFFAOYSA-N	323.270	3.633	50	20	DHGD	
CN(C)C(=O)c1ccccc1/C=C(/C#N)c1nc(C2CC2)cs1	843272346	KBMKVEHOQKTZOD-ZROIWOOFSA-N	323.421	3.786	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2ccccc2Br)CC1	845855364	QCXNSHXVBOZHKP-XYPYZODXSA-N	311.223	3.719	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccnn3CC3CC3)[nH]c12	849180232	ZZHKTESVBWVSOI-ZROIWOOFSA-N	303.369	3.542	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2cc(F)ccc2C)cc1	855367303	OCDNUAHWLOXGKC-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccnc1Br	865221557	YVEKKFPRONPKEN-UVIKPUKZSA-N	307.191	3.756	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cnn(CC2CCC2)c1	899339854	WHKYTSISFNEQEV-RQZCQDPDSA-N	320.396	3.537	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)Cn1cnc2ccccc21	916273731	DBYMYIFCSYPJRH-IBPBQLRCSA-N	324.428	3.831	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1C	917213527	NVXPPSGRFDCNOX-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(Cl)cc1C	928340669	ZFBHQZOVKTXTIU-UHFFFAOYSA-N	310.825	3.855	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1C	1317744660	ZCRPGTRVQHKGKQ-DHDCSXOGSA-N	322.364	3.563	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CC[C@@H]1CCOC1	1326711392	XLOSFNQRQXCNOK-HZPDHXFCSA-N	313.558	3.899	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)c1cncn1-c1ccccc1	1327801209	GUTPPGFPPZGAFP-UHFFFAOYSA-N	322.412	3.702	50	20	DHGD	
Cc1cccc(NNC(=O)c2cnc(Cc3ccccc3)s2)c1	88288489	ZVGKGZZXKYXXOT-UHFFFAOYSA-N	323.421	3.799	50	20	DHGD	
COCc1cccc(NC(=O)NNc2ccccc2Cl)c1	92228910	IHOACRPAQOOXRP-UHFFFAOYSA-N	305.765	3.635	50	20	DHGD	
CC(C)c1ccccc1OCCNC(=O)NNc1ccccc1	114966047	AEFXQMKIFDKSEH-UHFFFAOYSA-N	313.401	3.515	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CSc2ccc(F)cc2)c1	127573673	HYVZEGQOXCUTRH-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
O=C(/C=C/c1ccco1)NNc1cc(C(F)(F)F)ccc1F	128950090	HLPCGXCUGCWDIK-GQCTYLIASA-N	314.238	3.594	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)c(C)n1C1CC1	130765370	OOYRPIUUTVRMJW-UHFFFAOYSA-N	321.783	3.989	50	20	DHGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)C(C)(C)C	131557194	MTCFQCGYSMCXFO-UHFFFAOYSA-N	320.458	3.552	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccncc1Cl	135874438	UGYRVEPUEZCZKF-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
COc1ccc2oc(/C=C(/C#N)C(=O)Nc3ccccc3)cc2c1	160142778	IELHQSSEEXKLDS-KAMYIIQDSA-N	318.332	3.987	50	20	DHGD	
CC(=O)NNC(=O)Nc1ccc(SC2CCCCC2)cc1C	162319401	ARWRHZDWJTVKJG-UHFFFAOYSA-N	321.446	3.592	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(F)c(F)cc1F)c1ccc(F)cc1	172087271	RZOHQLHXQUNXLR-RMKNXTFCSA-N	324.277	3.790	50	20	DHGD	
C[C@H](C(=O)NNc1c(F)cccc1F)c1ccc(Cl)s1	176164013	TYULFUTUZPKOSP-ZETCQYMHSA-N	316.760	3.927	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1cccc2cnccc12	178513441	BSYWGQDARGHFSO-UHFFFAOYSA-N	319.408	3.964	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C1(c2ccccc2)CCC1	178526003	JZCFWPATYAPUDL-UHFFFAOYSA-N	317.392	3.800	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccccc1C#N	179319834	KSCSVACKLDFRSD-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
C[C@H](CC(=O)NNc1ccncc1)c1ccccc1C(F)(F)F	180540365	WOTJJHZIVWCKHP-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cn(C)nc1C1CCCCC1	181286703	VEPWPIRIHXUBNA-RVDMUPIBSA-N	315.417	3.718	50	20	DHGD	
Cc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1F	181301612	CINUQEJWKLYNAZ-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	206991777	VVIZSVFBVNNCKU-KAMYIIQDSA-N	312.344	3.909	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1ccccc1C	212135988	XMUSMWFGLUFPOP-LGMDPLHJSA-N	301.345	3.797	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccc(OC)cc2)cc1	267020627	QPMPTCJNQBEYLT-UHFFFAOYSA-N	314.385	3.631	50	20	DHGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1ccc2c(O)nccc2c1	295999033	MAGOBVBCURKMBK-DOMZBBRYSA-N	313.401	3.600	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2nc(Cl)cs2)cc1	490784225	XZWNQVOJAMNEJM-POHAHGRESA-N	303.774	3.651	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCC(C)(C)CC1	588607543	RBWDTWOXMGZTFI-NTCAYCPXSA-N	312.413	3.726	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc4c3OCO4)[nH]c12	735618547	BNAACIYREMYVDR-MDWZMJQESA-N	303.321	3.664	50	20	DHGD	
COCC(=NNC(=O)c1cc2c(s1)CCCCCC2)C(C)C	741456519	PWMWYMAHHMGWCI-UHFFFAOYSA-N	322.474	3.795	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccccc1C(F)(F)F	743818522	BDEQRMJTLRXAIA-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C/C=C\c1ccc(F)cc1	747741659	QGKRKICDZWWTQX-NDIBYNNDSA-N	316.763	3.837	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cc3c(F)cccc3s2)c1	748046595	XJJVSJADAHBOOI-UHFFFAOYSA-N	311.341	3.669	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1ccccc1Cl	748304020	UEFMBMWDUYPQMO-UHFFFAOYSA-N	300.745	3.772	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1cccc(Cl)c1	748571527	COYVGYNBIAVJKK-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(F)cc1	756876327	LCTLPJAVUAQBBP-GFCCVEGCSA-N	318.779	3.927	50	20	DHGD	
CC[C@H]1CCCC1=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	758372354	MVQWOCDVIIEMDJ-ZDUSSCGKSA-N	310.401	3.681	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc3c[nH]nc3c2)cc1	768791372	UWPPUGMDBCJTFX-IUXPMGMMSA-N	317.348	3.522	50	20	DHGD	
C[C@@H](CBr)CN1CCSC2(CCCCC2)C1	770658391	YAOPBAQDRHJUHH-LBPRGKRZSA-N	306.313	3.769	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	770849710	ZWWPZPYROGPDIU-UHFFFAOYSA-N	319.748	3.568	50	20	DHGD	
CCCC(=CC(=O)NNC(=S)Nc1cccc(C)c1)CCC	770864828	VRYRZMGNJSXFQK-UHFFFAOYSA-N	319.474	3.839	50	20	DHGD	
COc1cccc(C)c1NC(=O)NNc1c(F)cccc1Cl	772500601	UKRBFODGZBYVAP-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2ccccc2Cl)cc1	780656442	JDGRKTQPHNOOTD-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)[C@]1(C)CCCO1	782171367	WVVMUBQMVQFIHG-KRWDZBQOSA-N	320.458	3.692	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)C(=O)Nc1ccc(C)cc1	788981746	UVDIQLPVKOBMLA-UHFFFAOYSA-N	315.417	3.562	50	20	DHGD	
O=C(CCCn1cccc1)NNc1cc(Cl)cc(Cl)c1	791714766	BGMFXVIYFZISHS-UHFFFAOYSA-N	312.200	3.718	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2ccc(Cl)cc2OC)cc1	794784295	BCIKPNNYCFDBTR-UHFFFAOYSA-N	316.788	3.675	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1nccc2sccc12	795102836	UHOQTYGCCYVOCQ-VXGBXAGGSA-N	303.431	3.956	50	20	DHGD	
CN(Cc1ccccc1)C1CCC(=NNC(=O)C(C)(C)C)CC1	797787335	LYRKLMRTXDDHLX-UHFFFAOYSA-N	315.461	3.579	50	20	DHGD	
C[C@@H](O)C[C@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808753796	CVTXKYDDGFURLY-HUUCEWRRSA-N	301.547	3.634	50	20	DHGD	
Cc1ccoc1C(=O)NNc1ccnc2cc(Cl)ccc12	812020744	KTZSBIWQLDWYJA-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)o1)c1ccccc1OC(F)F	814867715	CNIDLHSUBHZOGF-UHFFFAOYSA-N	322.311	3.734	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3cc(C)ccc3n2)c1	815853501	NGMRNFQVCLQVME-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)OC2CCCCCC2)cc1	817899869	RTKMULXPHHIBQP-CQSZACIVSA-N	320.433	3.656	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cccc(Cl)n1	820298097	LQSMAXWKXFQDPR-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)nc(C)n1	825945650	TYWIXCYTPPIWJJ-IAGOWNOFSA-N	324.428	3.511	50	20	DHGD	
Cc1nc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)oc1C	852522304	IBVSOJQFACITGU-CQSZACIVSA-N	310.514	3.888	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1cc(C#N)ccc1Br	855618261	YSIIHKQFDKBDKH-SNVBAGLBSA-N	324.222	3.590	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@H]1CC12CCCC2	856233864	DWMMWJSCKHFHRJ-JTQLQIEISA-N	321.833	3.973	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1ccc(F)c(Cl)c1	869454405	SPNPSNFKJQWRHA-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
O=C(NCC1(c2ccccc2)CCCCC1)NNc1ccccn1	916591946	XXIGDRGPGXXGOR-UHFFFAOYSA-N	324.428	3.610	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCO2)c1nc(-c2ccccc2)no1	917519054	IREMYXRAVMHUEQ-WJDWOHSUSA-N	315.332	3.736	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(Cl)cc2C)cc1C	928340614	WRUIBLWTFSPTRD-NSHDSACASA-N	320.824	3.881	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2cc3ccccc3o2)cc1	1317706965	YANXGCIFLCMAQR-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H]2CCCC[C@H]2C1	1320270343	CUFSOQXEEVGRMK-FRRDWIJNSA-N	316.283	3.835	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)OC[C@H](C)CBr	1325675429	GMYFQZAURUNMEF-SECBINFHSA-N	321.161	3.661	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)C1CCCCCC1	1776045082	NRSUFYZLMXZTBF-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
CC[C@H](C)[C@H]1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045268	NUJUXMJEDRHUNF-AAEUAGOBSA-N	317.389	3.709	50	20	DHGD	
CCC(CC)(CC(=O)Nc1ccc(SC#N)cc1C)C(=O)O	11264727	VCCRZAKGEITTOR-UHFFFAOYSA-N	320.414	3.788	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1cccc(-c2ncco2)c1	93093085	FDKLTSRCMCBEQP-UHFFFAOYSA-N	312.304	3.629	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1c(C)cc(C)cc1C	122910321	DSSUHJISOFWZPX-UHFFFAOYSA-N	304.434	3.985	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)c2)cccc1-c1ccccn1	123635671	PUVCFBQUDYTAPC-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1cccc([N+](=O)[O-])c1	178868333	FAJFODRHJZCLEA-CYBMUJFWSA-N	313.357	3.540	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccccc2OC(F)(F)F)c1C	190184365	VIQSBRVPRUFRDW-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)n2c1	193164474	BHXJVHRAPIVRCV-AWNIVKPZSA-N	323.302	3.711	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)c(OC)c2)c1	194518356	CCNAPDIAOZHNAW-DHDCSXOGSA-N	322.364	3.558	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NNc1cc(F)c(F)cc1F	194794920	AQVOYIJGGIWDRJ-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CCCC[C@@H](CCC)NC(=O)NNc1cccc(NC(C)=O)c1	297864052	IDKZIEJFFSFMAW-CQSZACIVSA-N	320.437	3.630	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC[C@@]2(C1)OCc1ccccc12	588492125	CPPFWCJADLVMTM-SOFZFKJRSA-N	302.377	3.682	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1F	727654650	PQEXJRMKSRXAND-UVTDQMKNSA-N	320.371	3.843	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)C2CCC2)cc1OCC	731933259	GJCBYZPCXGSHFQ-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
N#C/C(=C/c1ccccc1C1CC1)c1nnc2n1CCCCC2	750817175	DAIOGZZRUACVSD-VBKFSLOCSA-N	304.397	3.946	50	20	DHGD	
Cc1cccc2c1CCN(C(=O)/C(C#N)=C/c1ccc(F)cc1)C2	752016824	RQHUMEGFHWMHPF-GZTJUZNOSA-N	320.367	3.626	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)Cc2ccccc2Cl)cc1	754467335	XEZHBUWKBVWAFJ-LBPRGKRZSA-N	318.804	3.671	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1cccc2cccnc12	755680664	QPAMMLUEWNRRAV-WMZOPIPTSA-N	315.376	3.754	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1F)c1c[nH]c2ccccc12	759646079	COTXIEOJRNTXMF-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
Cc1c(C#N)cccc1NC(=O)NNc1ccccc1Cl	770072620	DOXKLFOKXIUFID-UHFFFAOYSA-N	300.749	3.669	50	20	DHGD	
Cc1cc(NC(=O)NNc2c(C)cccc2F)ccc1N(C)C	771112601	AFUSBJVRHPUDJS-UHFFFAOYSA-N	316.380	3.657	50	20	DHGD	
CCCc1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])cc1	775454116	MCKPQJCJCGEMOF-UHFFFAOYSA-N	314.345	3.696	50	20	DHGD	
COC1CCC(=NNC(=O)CC23CC4CC(CC(C4)C2)C3)CC1	783804503	PJGUXSFLVRPRFD-UHFFFAOYSA-N	318.461	3.654	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)c1C	786106555	NTJYHQONJUIEEB-YBFXNURJSA-N	321.424	3.657	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@H](C)c1c[nH]c2ccccc12	787578994	ZLYDSMHDCVRQGR-ZDUSSCGKSA-N	308.385	3.508	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc2nc(C3CC3)oc2c1	792332989	JRWWILTVGKOZPN-UHFFFAOYSA-N	323.356	3.557	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1cc(C)oc1C	794781598	KBYFSQUHIMYHKA-UHFFFAOYSA-N	320.776	3.712	50	20	DHGD	
Cc1cc(C(=O)NNc2cccnc2Cl)c(C)cc1Cl	795165874	QBZNGTGJFMCNHR-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C[C@@H](CCC(=O)NNc1nccnc1C1CCC1)c1ccccc1	805466227	ZIGNYJGZHRDYCK-AWEZNQCLSA-N	324.428	3.771	50	20	DHGD	
C=C(CNC(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	807578514	BHNBGBNYBOGTRM-UHFFFAOYSA-N	319.767	3.819	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccnc(C(F)(F)F)c1	809803409	UICVZBFYXBTJPE-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)[C@@H]1CCCOC1	811489087	VUPNYEIQFWWALL-GDBMZVCRSA-N	311.853	3.599	50	20	DHGD	
CCCCCCC(=O)NNc1ccc(C(=O)OCC)c(C)c1	812720477	ICRXRNOEYDKHIQ-UHFFFAOYSA-N	306.406	3.585	50	20	DHGD	
Cc1cc(Cl)cc(C)c1O[C@@H](C)C(=O)NN=C1CC2(CC2)C1	814750001	CKXZYEKPORTBNN-LBPRGKRZSA-N	320.820	3.770	50	20	DHGD	
N#C/C(=C\c1conc1Cc1ccccc1)C(=O)C1CCCC1	834434404	IUZUXIBGJBLEHX-LFIBNONCSA-N	306.365	3.932	50	20	DHGD	
Cc1cnc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	844335586	FSYOXZSBIGSBDG-CQSZACIVSA-N	310.514	3.969	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cnccc2C(F)(F)F)cc1	848210179	QJDVDIHWDGDUKQ-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1cnc(N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nc1	853897612	NETUVVSFURFRHQ-CQSZACIVSA-N	307.514	3.776	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCCc2ccc(C#N)cc2)cc1	854293887	XOJOVUXPWWBCJX-UHFFFAOYSA-N	322.412	3.550	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(COC)cs1	854337407	YGSJQUJYSNSDLF-UHFFFAOYSA-N	304.415	3.522	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1C[C@@H]1c1sccc1C	855366407	DVUKQIKOFCBXFO-STQMWFEESA-N	304.390	3.751	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093702	NALGHQMDIOFJDL-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
C[C@H](NNC(=O)CCCc1ccc2ccccc2c1)C(F)(F)F	862317457	YPGDZKMXHPJNGH-LBPRGKRZSA-N	324.346	3.734	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)c2nc(C)cs2)c1C	863180548	BWYILNDZDFZNGT-WUXMJOGZSA-N	315.398	3.637	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(OCC(F)(F)F)cc2)cc1	914833126	GNRMOYSSWOGDRX-UHFFFAOYSA-N	324.302	3.693	50	20	DHGD	
CCCCOc1ccc(C(C)=NNC(=O)C(C)(C)C)cc1OC	915969192	DXWRKPVBVHVLKU-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(F)cc2F)cc1	916346111	VHHMQNNYCCFTOK-UHFFFAOYSA-N	320.364	3.516	50	20	DHGD	
Cc1cc(NNC(=O)CCCc2cccnc2)ccc1Cl	928339153	WPQCVTUZARQMSO-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
C=C(CBr)CN1CCC(c2ccc(C#N)cc2)CC1	933613149	WOAFBOBCGYVGEL-UHFFFAOYSA-N	319.246	3.689	50	20	DHGD	
CC(C)(C)c1ccc(C2(C(=O)NCCCSC#N)CC2)cc1	1118700714	QFACQSXWGOPDRY-UHFFFAOYSA-N	316.470	3.736	50	20	DHGD	
C[C@@H](c1cccc(C#N)c1)N(C)C[C@@H](CBr)C1CC1	1351402600	CLAUQBVZJYNFCK-BLLLJJGKSA-N	321.262	3.972	50	20	DHGD	
CCc1cccc2c(/C=C(\C#N)C(=O)NCc3ccco3)c[nH]c12	6959373	XSKXJBBZJLYZRQ-NTEUORMPSA-N	319.364	3.547	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)N(C)c2ccccc2)s1	123503799	LBKULWOTBNJGAY-LCYFTJDESA-N	311.410	3.836	50	20	DHGD	
CCCCCCCCC(=O)NNc1cc(C#N)cc(Cl)n1	126018223	QXXKDLKWQFUBDH-UHFFFAOYSA-N	308.813	3.800	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1scnc1C(C)(C)C	160797448	ZCZVIZPEFJFOLQ-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
O=C(NNc1ccncc1)C1(c2ccc(Cl)cc2)CCCC1	180532341	MZBGHPXNWAODSH-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
Cc1cccc(NNC(=O)c2scnc2C2CCCC2)c1	185161445	ZNJZKOGJTOFDNT-UHFFFAOYSA-N	301.415	3.866	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c(OC)c1	194531975	XPSKSYQPYFCCPS-RIYZIHGNSA-N	311.312	3.633	50	20	DHGD	
Cc1cccc(NNC(=O)Cn2ccc3ccc(Cl)cc32)c1	195609068	DPCHMHUQIQHNGC-UHFFFAOYSA-N	313.788	3.746	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1nc(-c2ccc(C)s2)cs1	215240379	LWMHEODNYIGCPD-YFHOEESVSA-N	319.411	3.563	50	20	DHGD	
CC(C)(CC(=O)NNc1ccccc1)CC(=O)c1ccccc1	282084534	XYXRUGFGYYYSJW-UHFFFAOYSA-N	310.397	3.819	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)o1	588429906	NWDAXMZXEBHURP-KMHUVPDISA-N	312.344	3.820	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(Cl)cc1O	588431678	GVVKIURCHJSBJU-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCCO2	726430278	XWQRCWXTYFNEJN-HAAVITCDSA-N	305.761	3.633	50	20	DHGD	
CCCC(=NNC(=O)c1ccc2c(c1)OCO2)C1CCCCC1	727777833	WXRFUIGCNHBRAC-UHFFFAOYSA-N	316.401	3.882	50	20	DHGD	
CN(NC(=O)Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1	727849250	VVVUMNVEPFLXJV-UHFFFAOYSA-N	313.788	3.531	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)c1ccccc1C	735030050	AAHDLCMPCIGIQU-OAHLLOKOSA-N	304.434	3.753	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccc(F)cc2)cc1	749886501	DOSMXZXFZPMNPE-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
Cc1ccccc1N1CCN(/C(=C/C#N)c2ccccc2)CC1	750790562	BEWNMADENGGAKZ-RGVLZGJSSA-N	303.409	3.682	50	20	DHGD	
C[C@@H]1CCc2c(F)cccc2[C@H]1NC(=O)NNc1ccccc1	751102386	JWBQWGORBBOEEV-PXAZEXFGSA-N	313.376	3.775	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1cccc(C#N)c1	759659773	QFMITANJZHFQNL-XYOKQWHBSA-N	311.772	3.758	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C(C)C3CCC3)n[nH]2)cc1	764786373	FPYMIKXAWMYUFW-UHFFFAOYSA-N	310.401	3.545	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2COc2ccccc2)CC1	767157313	LODWYNQWKSVIRN-UHFFFAOYSA-N	318.376	3.561	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1nc2ccccc2[nH]1	768501549	IHRBISXMSWJXTR-ZDUSSCGKSA-N	300.406	3.613	50	20	DHGD	
Cc1cc2ccccc2n1CC(=O)OC[C@H](C)CBr	770330199	ITXPQHOZGXPRPK-LLVKDONJSA-N	324.218	3.524	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cn1c(C)cc2ccccc21	771689599	VCGKJXPOTWYHHT-UHFFFAOYSA-N	311.360	3.541	50	20	DHGD	
C[C@H](CCC1CCCCC1)NS(=O)(=O)CCCCCl	780783733	XSFCRHLEFAQQPI-CYBMUJFWSA-N	309.903	3.674	50	20	DHGD	
CC(C)[C@@H](C)N(C(=O)[C@H](Br)C(C)(C)C)C1CC1	781078715	BIUTUPXBUKROTE-PWSUYJOCSA-N	304.272	3.832	50	20	DHGD	
C[C@H](CCSc1ccccc1)OC(=O)/C(C#N)=C\C1CC1	786679116	JXSGOLJSRDZZPE-LKKYZFDUSA-N	301.411	3.960	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1c1ccccc1OC	791454929	LNKZQLJLVXPVCE-AWEZNQCLSA-N	310.235	3.783	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H](F)CC2CCCCC2)c1	793712116	BPSZROCZDPFBIX-HNNXBMFYSA-N	312.360	3.586	50	20	DHGD	
C[C@H](Cn1ccc2ccccc21)C(=O)NNc1ccc(F)cc1	795021772	XNOGSGPFSBYWDN-CYBMUJFWSA-N	311.360	3.560	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CSc2ccccc21	799754181	DALGKIXLTSSLQW-HNNXBMFYSA-N	312.438	3.890	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCCF)c1ccc2ccccc2n1	800803311	DHZYTUYUNYDQPT-ZDUSSCGKSA-N	313.376	3.870	50	20	DHGD	
CCC(C)(C)C1CCC(CC(=O)NNc2ncccn2)CC1	801117228	BNOUIHQFRUMNNU-UHFFFAOYSA-N	304.438	3.552	50	20	DHGD	
COc1ccc2c(c1)OCCN(/C(=C/C#N)c1ccc(F)cc1)C2	801966903	QIQRVBOHWZLQIN-QGMBQPNBSA-N	324.355	3.593	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802018466	JGCOHWNXROAANJ-OAHLLOKOSA-N	311.813	3.709	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2cccc(F)c2)CCCC1	808128858	GZZGCABUSGKJQJ-UHFFFAOYSA-N	304.192	3.557	50	20	DHGD	
OCCc1ccc(NCc2ccc(OCCCCl)cc2)cc1	811469296	FZFYGCTZDMNTAE-UHFFFAOYSA-N	319.832	3.841	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cccc(C2CCC2)c1	812995496	XPKJLFUWMINVJE-UHFFFAOYSA-N	303.406	3.543	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCC(F)(F)C1	813103292	BQWJHUHUBZMZSL-LBPRGKRZSA-N	311.376	3.932	50	20	DHGD	
Cc1cccc(Br)c1C(=O)NNc1cccc(F)c1	813493590	FXWOOHXOBFKNER-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1CC(c2ccc(F)cc2)C1	814268924	LNFWEINRCQKLSB-UHFFFAOYSA-N	302.324	3.602	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(Br)cc1C	819414548	JYWUDZUGASKYFA-UHFFFAOYSA-N	311.223	3.803	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H]1[C@H]2CCO[C@@H]2C12CCC2	831377052	VZZVLDNMRVVABS-KFWWJZLASA-N	311.542	3.555	50	20	DHGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(Cl)ccc2Cl)CS1	840420197	RJHQIAKUVRJNOQ-APPZFPTMSA-N	320.245	3.514	50	20	DHGD	
Cc1oc2ccccc2c1CC(=O)N(C)CC(Cl)Cl	848084338	LTRFNOOCZRRUHA-UHFFFAOYSA-N	300.185	3.546	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)N[C@H](C)CCCC(F)(F)F	854021577	LXNYGMGUFKCOIN-SNVBAGLBSA-N	321.318	3.881	50	20	DHGD	
C[C@H](CNC[C@@]1(C)C[C@H]1Br)c1ccc(F)cc1	856809265	LMBFJDNEVCDODW-LERXQTSPSA-N	300.215	3.692	50	20	DHGD	
Cc1ccc(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)c(C)c1	857402840	LNNHWCROEUSYMT-GOEBONIOSA-N	324.262	3.526	50	20	DHGD	
COc1ccc(NNC(=O)CC2CCC(C(C)(C)C)CC2)nc1	857489787	ADYCQBNDYDNMDP-UHFFFAOYSA-N	319.449	3.776	50	20	DHGD	
CSc1ccc(CCCC(=O)NNc2cccc(C)n2)cc1	862517443	AOVLXEZPNFSQCL-UHFFFAOYSA-N	315.442	3.578	50	20	DHGD	
CC(C)CC[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1	862777520	KBIVFLIWEMCXRL-UONOGXRCSA-N	319.536	3.614	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)Cc2ccc(Cl)cc2)c1	921256884	CUWIPSOTWKYRAB-UHFFFAOYSA-N	300.789	3.650	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)c2nc(N)c3ccccc3n2)c1	1321885944	HFMDZPZUAUMLKL-UKTHLTGXSA-N	304.328	3.724	50	20	DHGD	
CCOCCC1(CNC(=O)c2cccc(CCl)c2)CCC1	1346919673	FBBWRUBTINGGCJ-UHFFFAOYSA-N	309.837	3.752	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2	66326323	MKBCILLHOGCGQE-UHFFFAOYSA-N	306.356	3.624	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1ccnc2ccccc12	131132071	ACOXEOXPQAOIEM-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
Cc1ccc(NNC(=O)c2sc(CC(C)C)nc2C)cc1	158902398	YPTYCLCNGQAQEG-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccncc2Cl)cc1	158997256	KZEVDKPBJNDJDP-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(-c3csc(C)n3)c[nH]2)cc1	171522583	XEYWPIROOODTDA-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
COc1cccc(-c2nc(/C=C(\C#N)C(=O)C(C)C)cs2)c1	193344211	WCVZONKWMKVMBE-NTUHNPAUSA-N	312.394	3.951	50	20	DHGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)c1ccsc1	194926271	PTYVSFUREPFXRY-VZUCSPMQSA-N	313.769	3.839	50	20	DHGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)NCc1ccco1	255518902	KMTVZFBZPVYCEJ-GHXNOFRVSA-N	320.270	3.522	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1F	255565383	KEBRDIDFSHPQLH-SWEABUAFSA-N	308.356	3.919	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2c(Cl)cnn2C)cc1	588534554	WLHBYVARCBVUKQ-ZROIWOOFSA-N	313.788	3.816	50	20	DHGD	
N#C/C(=C/c1ccnc2ccccc12)c1nnc2n1CCCCC2	606443031	QFMSKPUHYRGLDK-QINSGFPZSA-N	315.380	3.617	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)NC1CCCCC1	727671665	IBQJRAAYMPQZCR-AWEZNQCLSA-N	311.470	3.646	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H](c1ccccc1)C1CCC1	729615231	VHSFNKINPQDVST-KRWDZBQOSA-N	313.376	3.993	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H](C)C(C)(C)C	734548980	PPXOXGKUHIHSLW-LBPRGKRZSA-N	321.490	3.810	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1ccc(SC(F)F)cc1	734977846	KCVWSXGIDXTYEX-UHFFFAOYSA-N	300.374	3.888	50	20	DHGD	
CC[C@H](C(=O)NNc1ncccc1C(F)(F)F)c1ccccc1	740099966	HUYAAKCEWDVICB-LBPRGKRZSA-N	323.318	3.737	50	20	DHGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)c1ccccc1C	749158215	KCQOJRVHZKSASK-UHFFFAOYSA-N	323.421	3.953	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](OCC(F)(F)F)C1	750800385	SQVXKHSMYYVBJP-GFKDLEGOSA-N	310.319	3.594	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccccc1C1CC1	751130167	RXDMHVPTHVCSQU-UHFFFAOYSA-N	317.392	3.738	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1cnnc2ccccc12	753433777	LBLGQRKVKLXOJH-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNC(=O)OC(C)(C)C	754173926	MUPVDKQIBXNKSV-CHWSQXEVSA-N	318.417	3.532	50	20	DHGD	
CC(CC1CC1)=NNC(=O)CSc1nc2ccccc2s1	756823363	KJZZUWWOCRTDCN-UHFFFAOYSA-N	319.455	3.681	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1cc(C)ccc1F	760141302	QQKAFQIQEWSMSR-QGZVFWFLSA-N	316.376	3.743	50	20	DHGD	
C=C[C@@H](CC(=O)OC[C@H](C)CBr)c1ccccc1	770413599	VEFPBKUVLOZUCT-OLZOCXBDSA-N	311.219	3.921	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1c(F)cccc1Cl	771672390	AABGNNDRYGKMBY-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	773106203	YZAFKMARHAZKBW-AAEUAGOBSA-N	308.809	3.812	50	20	DHGD	
CN(C)c1ccc(NC(=O)[C@H](Br)C(C)(C)C)cc1	781068839	QJNPSDQYEULSOM-LBPRGKRZSA-N	313.239	3.501	50	20	DHGD	
CC(C)C[C@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	781096037	DOGUGPMHVVWKSI-NEPJUHHUSA-N	304.272	3.691	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@H](C)C[C@H]2C)o1	783838361	YWXVTXLSTUUYQH-UONOGXRCSA-N	319.449	3.663	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)Cc2ccccc21	785043055	HYGGOYLAEFJFFD-NGWPFTMJSA-N	320.367	3.879	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)[C@@H]1C[C@H]1c1ccc(Cl)s1	788421635	IICUVOBNDBFZOG-WDEREUQCSA-N	321.833	3.649	50	20	DHGD	
C=C(CBr)CN[C@H](C)c1ccc(C)c([N+](=O)[O-])c1	791492393	JLPSQCQEAZPSSS-LLVKDONJSA-N	313.195	3.505	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1cc(F)c(F)c(F)c1	801177572	YCPNMZLDMGUAEG-UHFFFAOYSA-N	320.723	3.505	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCc2cc(F)ccc21	801547237	LCMLRWQBOMDROG-GFCCVEGCSA-N	314.198	3.524	50	20	DHGD	
CO[C@@H](COC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1	801861441	HGGXGAJABZHTQZ-WQJNHMDYSA-N	307.349	3.524	50	20	DHGD	
CCCN(NC(=O)c1sccc1C1CC1)C(=O)OC(C)(C)C	804592013	SQZUDGPWEWKDDO-UHFFFAOYSA-N	324.446	3.917	50	20	DHGD	
C#CCOc1ccc(C(=O)NNc2c(C)cccc2C(C)C)cc1	812765054	UJXNNHKLIBDXKW-UHFFFAOYSA-N	322.408	3.887	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccoc1C	813045348	PIQACKBOEWCFIX-UHFFFAOYSA-N	301.390	3.846	50	20	DHGD	
CC[C@@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	814849245	NRCZXYZURAZDEB-LBPRGKRZSA-N	316.788	3.955	50	20	DHGD	
Cc1ccccc1[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	820879966	QLWPYXVHKVHOBO-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
CC(C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)=C1CCC1	827521586	ROZSTRPGJBDFFD-UHFFFAOYSA-N	309.291	3.521	50	20	DHGD	
CN(C)Cc1cnc(/C=C(\C#N)c2nc(C3CC3)cs2)s1	843273105	PNOHNZVXIVVZRO-VZUCSPMQSA-N	316.455	3.603	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849179718	VYECTICYESGCJT-XBNGYDHASA-N	313.397	3.767	50	20	DHGD	
CC(C(=O)NNC(=S)Nc1cccc(C)c1C)=C1CCCC1	854186812	XWOAYXMXLBETDY-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCC[C@@H]1c1ccccc1	856092060	NCATZGOUSYTWKH-HUUCEWRRSA-N	315.804	3.762	50	20	DHGD	
CCC[C@H](C(=O)NN[C@H](C)C(F)(F)F)c1ccc(Cl)cc1	862322291	JXAZCHBDYFIWOB-SKDRFNHKSA-N	322.758	3.795	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=CCC(C)C)cc1OC	863966509	CFBFGICTPFHWBM-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1C[C@H]1C(F)(F)F	871207041	RTPNRPSPTZTJDV-IVZWLZJFSA-N	313.410	3.768	50	20	DHGD	
Cc1ccccc1[C@H](C)C(=O)NNc1ncccc1C(F)(F)F	895266407	DIVNAHAQBMUHNA-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnn(C3CCC3)c2)c1C	899339466	XZKITKHRKBJMPS-SXGWCWSVSA-N	320.396	3.771	50	20	DHGD	
CCc1onc(C)c1/C=C(/C#N)C(=O)N[C@@H](CC)c1ccccc1	899368282	HMQUTDLRXHATLG-HKBKRHGFSA-N	323.396	3.720	50	20	DHGD	
CN(CC1=CCSC1)C(=O)CCCC[C@@H]1CCSS1	1118737270	AQBXDGFQFCBGJX-CYBMUJFWSA-N	317.545	3.832	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)c1ccccc1Cl	1321027281	KQCIRSJQJBTBDB-LLVKDONJSA-N	310.825	3.563	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNc1cccc(C(=O)O)c1F	1595697573	MDJVEHABOQSNDE-GFCCVEGCSA-N	324.396	3.964	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(C(=O)O)s1	1777477161	BXDOULUEXNILQX-RMKNXTFCSA-N	303.364	3.606	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OCC)c1	7208266	RQCBEDJGBSAEHF-KPKJPENVSA-N	323.776	3.695	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC)c(F)c2)c1	8200029	CNHAUAIYTSKUFW-RIYZIHGNSA-N	311.312	3.633	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccnc2ccccc12	106925705	VEANEKFWPUUZBQ-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1ncnc2ccsc12	132378528	ORWUTTDZHJVWQY-UHFFFAOYSA-N	318.427	3.633	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ncc(-c2ccccc2)s1	146174666	OEOUBOQWSKDTJS-UHFFFAOYSA-N	310.382	3.959	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2nc(C(C)C)ncc2Cl)c1	158788982	LALMNIQBAWPQSF-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2C)o1	172044003	DUHGQVYIVNQKDU-JLHYYAGUSA-N	312.344	3.827	50	20	DHGD	
CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181605818	WGSYUBFVQURYDS-UHFFFAOYSA-N	311.297	3.642	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1cc(C(F)(F)F)ccc1F	189012951	HQRMOAKFTVBPBH-CYBMUJFWSA-N	304.287	3.890	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccccc1F	192614779	YHAGKOIOPBMVGI-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1cccc(F)n1)C1CCC(c2ccccc2)CC1	286654446	UXJQLHKTNHYWLE-UHFFFAOYSA-N	313.376	3.638	50	20	DHGD	
C=C(CBr)CN1CCCC[C@@H]1[C@@H](O)c1ccccc1	369139506	JQVUTMICHQVDTI-CVEARBPZSA-N	324.262	3.526	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)C1CCCC1	733218731	VOKMFSGUCDVQKQ-MRXNPFEDSA-N	308.466	3.711	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1OC	735617214	VHTYPTYQOOAZRU-ZROIWOOFSA-N	319.364	3.953	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2ccccc2c1C	748562639	VIOHACKRZWXKQY-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1cc2ccccc2o1	749824020	UOCNBVYOIHIGMX-UHFFFAOYSA-N	304.305	3.943	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)Cc1ccc(Cl)cc1	755570539	KSLASWHFRISYAL-UHFFFAOYSA-N	300.789	3.650	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc3ncccc23)c(C)s1	760253532	SYHZXIFPJCLDGC-UHFFFAOYSA-N	309.394	3.677	50	20	DHGD	
CCCC(CC)=NNC(=O)c1ccc(Br)s1	776186374	XVBUJYBTRWRQLU-UHFFFAOYSA-N	303.225	3.807	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1ccc(OC(F)F)cc1	776259937	SZTVYMKSCJPMHP-OQLLNIDSSA-N	324.286	3.950	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C#N)c(Cl)c2)cc1C	778244654	CIKXGUZZYHYEPR-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780604453	MDIRDEVCEFCAPD-NXEZZACHSA-N	313.323	3.702	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(F)cc1Br	780992150	VAZVYLOOBKKHJC-HJWRWDBZSA-N	315.186	3.778	50	20	DHGD	
CC(C)c1nn(C)c(Cl)c1/C=C(\C#N)C(=O)C1CCCC1	781552634	BJHQASUUCJOXMD-XYOKQWHBSA-N	305.809	3.863	50	20	DHGD	
N#C/C(=C/c1scnc1C1CC1)C(=O)c1ccc2c(c1)OCO2	782328636	JSZAPKNDVZQJHD-SDQBBNPISA-N	324.361	3.539	50	20	DHGD	
CCNC(=O)N(C)NC(=O)Nc1ccc(C(C)C)cc1C(C)C	785835209	KENJSLLEUYJARA-UHFFFAOYSA-N	320.437	3.631	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1ccc2c(c1)OCCO2	788976007	SRKODIRAMNBGCN-UHFFFAOYSA-N	316.401	3.700	50	20	DHGD	
C=C(CBr)CN1CCC(Cc2ccccc2)CC1	791441943	JJVTVCFZSUUZFT-UHFFFAOYSA-N	308.263	3.892	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2cccc(N(C)C)c2)C1	794474312	LENJAFYGRRZDNS-AWEZNQCLSA-N	301.434	3.685	50	20	DHGD	
CSSCCNC(=O)c1sc2ccc(C#N)cc2c1C	794477420	KQSCIWZOOCOONI-UHFFFAOYSA-N	322.480	3.822	50	20	DHGD	
CC1(C)CC(C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1	802830480	YUTKXHPAAXOHMK-UHFFFAOYSA-N	316.323	3.507	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1C	806573361	IPCFIOKCXVJORE-DYTQJMLRSA-N	301.386	3.925	50	20	DHGD	
COc1ccc(Oc2ccc(C=NNC(=O)CC3CC3)cc2)cc1	814986561	JFIOWBYNUUZNAO-UHFFFAOYSA-N	324.380	3.738	50	20	DHGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1ccnc(O)c1	816639571	XAOXEQQPKVMQHS-ZDUSSCGKSA-N	320.820	3.646	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)C1CCCC1	819747870	YDMHJFNIMMIJES-MRVPVSSYSA-N	302.205	3.658	50	20	DHGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2cc(C)cc(C)c2)cc1	830786619	YCJTXXBWJZLKFI-ZWKOTPCHSA-N	310.397	3.559	50	20	DHGD	
CCC(=NNC(=O)c1cccc(OC(F)F)c1)C1CCCC1	834953180	ADLAZOOXILXXPN-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2c(C)cccc2Cl)C1(C)C	836934284	SDTOBRXRDMKTET-OLZOCXBDSA-N	322.836	3.733	50	20	DHGD	
CCCC1(C(=O)NNc2cc(F)ccc2Br)CC1	839878741	ITZGPXJXNSZRJX-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(/C#N)C(=O)C2CCOCC2)c1	865224558	SNICRXWDENOXHV-WJDWOHSUSA-N	313.397	3.767	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(Cl)cc2F)no1	885107824	OXRADVSNXGZWAW-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cccc(Cl)c1	916350959	SSSRDTWBZAJTSP-UHFFFAOYSA-N	307.180	3.686	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)c(O)c1C	916998833	WTJKHPRLJBSPHQ-UHFFFAOYSA-N	324.302	3.785	50	20	DHGD	
N#C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCCC1	921539195	YTWJMYKSWZZKKY-KGLIPLIRSA-N	312.504	3.899	50	20	DHGD	
COc1ccc(OC)c(/C=C(/C#N)C(=O)c2ccccc2C)c1	1116065896	KTNRHJLNGIBJBN-GDNBJRDFSA-N	307.349	3.802	50	20	DHGD	
Cc1ccc(-c2nc(C)c([C@H](C)NC(=O)CCl)s2)cc1	1320465771	MFJNHGPTSGYJOI-JTQLQIEISA-N	308.834	3.843	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(CSc2ccc(Cl)cc2)o1	1325798822	TWEKTRBJMYZJFN-NTMALXAHSA-N	321.789	3.916	50	20	DHGD	
O=C(N[C@@H](c1ccccn1)C1CC1)c1cccc(CCl)c1	1336105928	FKHCYKLHKXCOAR-MRXNPFEDSA-N	300.789	3.702	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2csc(C)c2)cc1	1336907538	OJEMKEBQUDCNQP-OVCLIPMQSA-N	313.378	3.716	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(-c2cc3c(s2)CCCCC3)o1	1348870458	GDPHKKFEZUMZRG-BENRWUELSA-N	315.398	3.968	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)Nc1ccc(C(=O)O)cc1	1776045446	LIBREPVZRDMNMZ-UHFFFAOYSA-N	315.373	3.607	50	20	DHGD	
CCC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)cc1	1776676047	ZAHWRPBIVOOMPE-GZTJUZNOSA-N	305.333	3.938	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776708271	BHBPKMYWHBZWLM-VZUCSPMQSA-N	307.296	3.575	50	20	DHGD	
N#C/C(=C/c1cccnc1)C(=O)Nc1cc(Cl)ccc1Cl	6079897	UADLTEAGRDWNPW-WDZFZDKYSA-N	318.163	3.934	50	20	DHGD	
CCOc1cc(/C=C(\C#N)c2ccccn2)cc(Cl)c1O	7155349	VLIYNLZXYSXIPB-KPKJPENVSA-N	300.745	3.903	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)o1	8117466	VHKDHHODUDUJOI-AWWQTPIYSA-N	320.392	3.669	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1ccc(F)cc1F	104129999	NPTABQPLFLEFCW-LLVKDONJSA-N	322.380	3.730	50	20	DHGD	
Cc1[nH]c2ccc(C(=O)NNc3ncccc3Cl)cc2c1C	114883125	NHEPWECZKJYIGF-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(F)c(Cl)cc1F	163722077	NISBJGHLVXVQHB-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	184841202	MYNQWMQYPAJGQG-QGOAFFKASA-N	321.376	3.810	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)NC1CCCC1	208309285	GYQOCXGGNQWGRZ-FLIBITNWSA-N	309.196	3.959	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255778953	YPKDEVUXKPGKON-PDGQHHTCSA-N	306.365	3.999	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC2(CCCCC2)C1	364287006	CZHDFGILANAMGD-NSHDSACASA-N	302.256	3.589	50	20	DHGD	
C[C@H]1CCCC[C@H]1CCNC(=O)NNc1ccc(Cl)nc1	745820201	MWKPCGAGAJKVAX-RYUDHWBXSA-N	310.829	3.578	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccc(F)cc1	747831051	KTWXMUVGHXZFJU-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccc(F)cc2C)c2ccccc2n1	750918539	LLJJNLROPAPHCI-UHFFFAOYSA-N	321.355	3.755	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cccc3[nH]ccc23)cc1	755565821	HCTKMIRYQJPZSZ-UHFFFAOYSA-N	323.421	3.719	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1	756876150	HMRVPGJFYCTGHA-NSHDSACASA-N	316.401	3.895	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1c(Cl)cccc1N1CCCC1	763363119	NPCMGXYNWYYTDA-UHFFFAOYSA-N	321.852	3.827	50	20	DHGD	
O=C(NN=CC[C@H]1CCOC1)Nc1ccc(-c2ccccc2)cc1	765576267	KZNLGZRANXAVEW-HNNXBMFYSA-N	323.396	3.888	50	20	DHGD	
CS[C@H](CNC(=O)[C@@H](Br)C(C)(C)C)C(C)(C)C	768448259	LAHORWOSICJNHT-NXEZZACHSA-N	324.328	3.690	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2ccc(Cl)cc2)cc1	779240264	JAJOIGDCHHCBQY-ZDUSSCGKSA-N	302.805	3.970	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2ccc(F)c(F)c2F)C1	780468232	JSAREYFXQYHJPH-MYJAWHEDSA-N	300.324	3.619	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	780992403	SRKAUCVTGJVKHH-KHPPLWFESA-N	316.323	3.817	50	20	DHGD	
Cc1ncsc1C(=O)NNc1cc(Cl)cc(Cl)c1	791727711	RYKRQKMVJMZPDU-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
N#CCc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791739749	ULGOKTNKBKGIIG-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
Cc1cccc(C(=O)NN=C2C[C@H](c3ccccc3)C2(C)C)n1	794571518	CYXISXHJBZIFKB-OAHLLOKOSA-N	307.397	3.690	50	20	DHGD	
COC[C@@H]1CCCN(Cc2ccc(OCCCCl)cc2)C1	798184732	DAPYEFJXGYGOBA-MRXNPFEDSA-N	311.853	3.553	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1ccc(Cl)s1	801483020	DBYHBOOQMMCLGS-SSDOTTSWSA-N	311.628	3.518	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2cccc(Cl)n2)o1	817005742	GUZMHXRTEJZXFL-CMPLNLGQSA-N	319.792	3.527	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1	825731695	JEFPRTBQLZUQKC-ROUUACIJSA-N	310.397	3.722	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C(=O)O)s2)cc1	833449248	QZBOFGDDAROILS-UHFFFAOYSA-N	318.398	3.501	50	20	DHGD	
CC[C@@H](C(=O)NN=C[C@@H](Cc1ccccc1)OC)c1ccccc1	834957584	LWOVDUPZWXQRLX-RTBURBONSA-N	324.424	3.540	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCCC(F)(F)C2)c(Cl)c1	836935716	TXNIXKVEMQXXAP-SNVBAGLBSA-N	302.752	3.917	50	20	DHGD	
C[C@@H](CNC(=O)[C@@H](Br)C(C)(C)C)CC(F)(F)F	840516575	FOBZGFRXSPFWSP-HTQZYQBOSA-N	318.177	3.501	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	853274455	PULUEDVWCQBWHZ-OAHLLOKOSA-N	315.417	3.503	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCC[C@H]1Cc1ccccc1	854479394	RQPCUBILMFLPPL-KBPBESRZSA-N	314.256	3.908	50	20	DHGD	
CCC(C)(C)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	857706920	WOXGRHORWGFKNW-LICLKQGHSA-N	315.461	3.973	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NN[C@@H](C)C(F)(F)F	862313602	KIGLYOBOQGTOQR-WCQYABFASA-N	308.388	3.801	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC[C@@H](C(F)(F)F)C2)c1	863155548	OZDDANHSVJZWKT-SECBINFHSA-N	304.337	3.895	50	20	DHGD	
Cc1cc(N2CCCC2)ccc1NC(=O)NCC(Cl)Cl	878009670	AYZOQBQSPJMNIE-UHFFFAOYSA-N	316.232	3.520	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1cccc(C2CCOCC2)c1	880181164	CALHGECQRHLYFX-UHFFFAOYSA-N	317.216	3.506	50	20	DHGD	
Cc1cccnc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912581547	HDKXEGVWFKISFJ-CQSZACIVSA-N	320.509	3.626	50	20	DHGD	
CC(C)C(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12	916329043	YPLICJNWXBMCTN-UHFFFAOYSA-N	319.408	3.796	50	20	DHGD	
O=C(CCc1nc2ccccc2o1)NNc1cccc(Cl)c1	916758780	MKMOJXSNYLTCJQ-UHFFFAOYSA-N	315.760	3.557	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)NCc1nc(C)c(C)s1	921003014	MRPVNKYITMTXGY-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@@H](c2ccccc2)O1	1123511417	CFVFSNXZBGVCEN-LYAPFXNSSA-N	321.848	3.773	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccccc2N2CCCC2)cc1	1318442880	YUZXKARLDZXNOA-UHFFFAOYSA-N	321.424	3.613	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1OC	48325136	ZBQGGCLZLZDAQH-LCYFTJDESA-N	313.378	3.864	50	20	DHGD	
CCCc1c(C(=O)NNc2cccc(C)c2)[nH]c(C)c1C(C)=O	76480964	UDGRFCDKXBHGIT-UHFFFAOYSA-N	313.401	3.544	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccc1	89494795	AJDNEMZMHGGNSP-AWEZNQCLSA-N	324.428	3.577	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OCC#N)c(OC)c1	101800156	CMXSHTSPNWSNQV-GDNBJRDFSA-N	312.369	3.510	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1cccc(OC(F)F)c1	114928782	GJVLDDMVDYUQSF-LLVKDONJSA-N	321.327	3.675	50	20	DHGD	
CC(C)CCOc1cccc(NC(=O)NNc2ccncc2)c1	121912316	DWVAMWSGGMKHFG-UHFFFAOYSA-N	314.389	3.655	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	131690539	LZVNNRLGRTZXCJ-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	144674973	LSAAZSWMYQTQRU-LGMDPLHJSA-N	301.345	3.797	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	150874605	ABNBNVXVEOTKCU-INIZCTEOSA-N	313.357	3.622	50	20	DHGD	
C[C@H](CBr)CN[C@@H](C)c1cccc(-n2cccn2)c1	152789477	HBCHLKHENXNHGN-OLZOCXBDSA-N	322.250	3.554	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2nc(C(F)(F)F)cs2)c1	152898057	GFHUFSGBGNBAML-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc(C)c(C)s1	156227558	JANIGIYDPDBOIK-UHFFFAOYSA-N	307.327	3.501	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	158730039	GCTYRYKARIRGKI-YRNVUSSQSA-N	314.282	3.668	50	20	DHGD	
CC(C)(C)OC(=O)N1CCCc2cc(NC=C(C#N)C#N)ccc21	171750213	JYSSFVUDHTWSRH-UHFFFAOYSA-N	324.384	3.717	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)Nc1cccc2ccccc12	174053711	FKGMKXWZCCSESD-GXDHUFHOSA-N	313.316	3.850	50	20	DHGD	
C[C@@H]1C/C(=C\c2cnn(CCCl)c2)C(=O)c2ccccc21	178902366	HWHXNXIXCYISBL-ZMTLZGASSA-N	300.789	3.895	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cn(C)nc1-c1cccs1	255114169	VERIAXOFBIBLKL-WQLSENKSSA-N	323.377	3.840	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(C#N)cc1)c1ccccc1	490695206	MHSFRTIRVCYHDS-GQEMFKIVSA-N	315.376	3.733	50	20	DHGD	
COC(=O)N(C)N=Cc1ccc(OCc2ccc(C)cc2)cc1	495746888	OCKJLRAKROTLLN-UHFFFAOYSA-N	312.369	3.606	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(C)cc1	588467593	VTRFRCQZHYFYTH-AQTBWJFISA-N	301.345	3.797	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)o1	588554900	CYCYKBZQVBPHSE-ZROIWOOFSA-N	321.785	3.899	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)Nc1ccc(N(C)C)cc1	741765383	YDUXHZSJIAENIX-UHFFFAOYSA-N	322.478	3.782	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccc(Cl)nc2)o1	743815384	CYXQWOUTTLYKEI-GWCFXTLKSA-N	319.792	3.527	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2ccc(Cl)c(F)c2)c1	746696360	YQDUMAFNHRHJGF-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@@H](C)CCc1ccccc1	749157522	GFUAYJYGLRGHLA-INIZCTEOSA-N	324.424	3.609	50	20	DHGD	
O=C(/C=C/c1ccco1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421112	CXAIZMPFULRNQY-JXMROGBWSA-N	309.277	3.960	50	20	DHGD	
CCCCSCC(=O)NNc1c(Cl)cccc1Cl	763612441	LWLGABNEUQYUGQ-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccc(C#N)cc2F)ccc1[N+](=O)[O-]	774560457	YBSVQJZUDDUNPR-NVNXTCNLSA-N	307.284	3.978	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2=CCCCCC2)cc1C(F)(F)F	775884108	IMEUJBXTXKLSSN-UHFFFAOYSA-N	323.318	3.911	50	20	DHGD	
C=CCCC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(OCC)cc1	776015561	IZVPBFBMWBXZDD-SUCHYCSPSA-N	312.413	3.853	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cc(F)c(F)c(F)c2)c1C	778232134	ILXYLIFSPWPGEY-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)NCc2cccc(Cl)c2)s1	786044870	UAQZGJGJFFSYFP-MDWZMJQESA-N	316.813	3.933	50	20	DHGD	
O=C(CCC1CCOCC1)NNc1cc(Cl)cc(Cl)c1	791731834	DJYHYUPRUWYEHJ-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccoc2)c1OC(F)F	798229542	FCNFBMNIRNEIKG-GHXNOFRVSA-N	319.263	3.679	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@@H]1c1ccc(F)cc1	799757405	VIUSSMCGRFZGAR-IAGOWNOFSA-N	312.388	3.943	50	20	DHGD	
CCCNC(=O)NN=C/C(C)=C\c1ccccc1C(F)(F)F	799876985	IBMZNPRPQILDQD-NIYXEPGDSA-N	313.323	3.804	50	20	DHGD	
O=C(CCCc1ccc2ccccc2c1)NNc1ncccc1F	804219481	ITFCAUJGNJYHTQ-UHFFFAOYSA-N	323.371	3.840	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)c(C)c1OC	806553838	AFEPRCOEYZXYPW-ZROIWOOFSA-N	301.386	3.925	50	20	DHGD	
Cc1ccnc2ccc(C(=O)NNc3ccc(Cl)cc3)cc12	807120152	BBEMHSJHGXFPFV-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC[C@@H]1c2ccsc2CCN1C(=O)NCCSSC	807227692	CMFICPDHRQGIDO-LLVKDONJSA-N	316.517	3.778	50	20	DHGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1cc(C)ccn1	810495973	RUIOYYSJSRZBMT-ZRDIBKRKSA-N	301.777	3.590	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)N(C)C1CCCCC1	812243207	GQAVQIYXHRRZII-GXDHUFHOSA-N	316.376	3.532	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(O)cc1F	812767302	ILKQZDACAYYPSX-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)[C@@H](C)CCCCC(=O)O	814732482	NVOQTQUFOPFAJZ-NSHDSACASA-N	324.808	3.727	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1cccc2cccnc12	814824147	LADQOPQTOOESSL-HNNXBMFYSA-N	320.396	3.670	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@H](C)c2ccc(F)cc2)cc1	814998022	PUEPSMPLCMAPFP-LBPRGKRZSA-N	315.348	3.745	50	20	DHGD	
Cc1csc([C@@H](C)C(=O)NNc2cccc3c2CCCC3)n1	830802147	WEGOKLSYMYDKBA-LBPRGKRZSA-N	315.442	3.577	50	20	DHGD	
CO[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)CC1(C)C	831547055	HZWPWPXMBUXMJT-CQSZACIVSA-N	301.547	3.755	50	20	DHGD	
CC[C@@H](C)[C@H](C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834932037	DQEAHDHOBQXSDD-RNCFNFMXSA-N	317.216	3.770	50	20	DHGD	
O=C(NC[C@@H]1CCCC1(F)F)NNc1ccc(Cl)c(F)c1	838674466	UGNCDTNMBFOYCD-QMMMGPOBSA-N	321.730	3.541	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cn(CCC#N)c2ccccc12	840735750	SMRBKMXGDKBRFL-RAXLEYEMSA-N	309.344	3.779	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2cccc(Cl)c2)C1)C(F)F	841633199	ULFPDJHOFUVHOD-SNVBAGLBSA-N	300.736	3.735	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	843911716	MWHXKNOYDVTICP-SNVBAGLBSA-N	314.216	3.968	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C3CC3)cnn2C)cc1C	849251008	XVAVRXMOXFTTMV-CXUHLZMHSA-N	305.381	3.704	50	20	DHGD	
CSCC1CCC(NC[C@@]2(C)C[C@@H]2Br)CC1	857064385	TUKMJOWHDMXTAR-IFWUJCSASA-N	306.313	3.671	50	20	DHGD	
CC(C)C[C@@H]1OCCC[C@H]1NC[C@@H](CBr)C1CC1	859259151	DBFYSXXELVDPGB-KFWWJZLASA-N	318.299	3.591	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1cccc(F)c1Cl	862510220	XWKHWNSUIGLROD-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
Cc1cccc(NNC(=O)C2(Cc3ccc(Cl)cc3)CC2)n1	862520781	BUWWZUKATCBMMJ-UHFFFAOYSA-N	315.804	3.509	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	915966699	OCSPKXRPDYCRMI-UHFFFAOYSA-N	320.339	3.937	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cncc(OC(C)C)c1	928340158	OBAIMCRZUDKZOV-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CC(C)(C)Cc1ccccc1C(=O)NNc1cccc(F)n1	935963163	WVTXSSLTSOKDLS-UHFFFAOYSA-N	301.365	3.566	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C)c(Cl)c2)c2n[nH]cc2c1	1318187595	MOZJBQMPOISOCP-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1c(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)cccc1C(=O)O	1607552683	SGOJCATYQGWIOY-HDJSIYSDSA-N	318.417	3.599	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1	44014058	GWFFVNJRJJGSEM-PWDRBQJJSA-N	320.392	3.870	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccc(C(C)C)cc1	46705757	KLGQMRMJZFOKPK-PDGQHHTCSA-N	314.429	3.648	50	20	DHGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CC2=CCCCC2)c1	106928942	PXKBLVBWHRDSAT-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
Cc1nc(C(C)(C)NC[C@@H](C)CBr)sc1C	134002209	FDMCOTZRAKTYAN-QMMMGPOBSA-N	305.285	3.616	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2cc(-c3ccccc3)on2)c1	158619052	ZUKBAQVWZCSICM-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2c(F)cccc2Cl)c1C	184231647	ZMMQZNQSCPKFBT-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1C	195172145	MSNKFUZYNWCDDQ-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
C[C@H](CBr)CN(C)[C@H](C)c1ccc(F)c(F)c1	248735305	QTAOMHDMFFUJRC-NXEZZACHSA-N	306.194	3.989	50	20	DHGD	
O=C(/C=C\Sc1ccccc1)NNc1cc(F)c(F)cc1F	255779991	WOEZAJRPWTXHHF-SREVYHEPSA-N	324.327	3.853	50	20	DHGD	
N#CC1=CCN(Cc2ccc(Br)cc2Cl)CC1	272684326	SMSSNWSTJXFVON-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
Cc1csc([C@@H](NC[C@H](C)CBr)C2CC2)n1	309424751	KGCNTYTYQCCXPV-KCJUWKMLSA-N	303.269	3.523	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/C=C\c1ccc(F)cc1	490784071	WHUSJGHPYKOUOF-AIGAIXFVSA-N	322.339	3.936	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1[nH]c(-c2ccccc2)nc1C	728429388	ZRJKPGMPHUFNQM-UHFFFAOYSA-N	312.417	3.662	50	20	DHGD	
COc1ccc(NNC(=O)Nc2cccc3ccccc23)cc1	729268452	IHIQSZLSISKJPR-UHFFFAOYSA-N	307.353	3.997	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)c1cc2c(s1)CCC2	729636310	YGEFWCDKEGXNDQ-UHFFFAOYSA-N	304.440	3.647	50	20	DHGD	
C/C(C=NNC(=O)Cn1ccc2ccccc21)=C\c1ccccc1	729638552	RCWVNZQYGLZCLT-YUTCYTODSA-N	317.392	3.847	50	20	DHGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1	734980117	FUYPDRSGGHJDFK-FJTRLSIBSA-N	300.377	3.736	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2cc3ccccc3o2)cc1	741764869	CFRFCUGOWTVWDY-UHFFFAOYSA-N	322.368	3.654	50	20	DHGD	
Cc1nc2ccccc2c(C)c1C(=O)NNc1ccc(F)cc1	747409297	UBXZVFGSRLUCIK-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(C(F)(F)F)c2F)cc1	749200576	NKMRMTHYUOPNEI-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCCc1sc(C(=O)NNC(=O)CC2CCCC2)cc1CC	749952647	WFSWCTAMUGANMS-UHFFFAOYSA-N	322.474	3.604	50	20	DHGD	
CC(C)C(=NNC(=O)CCSc1ccc(F)cc1)C1CC1	750931875	VIYOTHYMJVZNMW-UHFFFAOYSA-N	308.422	3.846	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2C[C@@H]2c2ccccc2)cc1	755660369	BBGYAEQOPORCNP-IEBWSBKVSA-N	322.408	3.534	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1C=NNC(=O)C(C)(C)C	756825457	FLCGNVKSKLMYST-UHFFFAOYSA-N	310.397	3.858	50	20	DHGD	
Cc1csc(CC(=O)NN=C[C@H](C)CC2CCCCC2)n1	758098330	CVFPLDGCZUFQHA-GFCCVEGCSA-N	307.463	3.703	50	20	DHGD	
COCCCC(C)=NNC(=O)c1ccc(Cl)cc1Cl	759192704	SIXGRRPUIUNJST-UHFFFAOYSA-N	303.189	3.526	50	20	DHGD	
N#CC1=CCN(C(=O)C2(c3ccc(F)cc3)CCCCC2)CC1	760007036	DCXXQPCECZLEHI-UHFFFAOYSA-N	312.388	3.710	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(F)cc1F	766748472	ZIBXDOCJXLDFJH-NSHDSACASA-N	321.161	3.818	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@@H]2CCC[C@H](C)C2)o1	768364567	KJWBFDHLCYPPFC-LSDHHAIUSA-N	319.449	3.663	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1ccnc(C2CC2)c1	770197751	UNENKOKVRUZAKN-UHFFFAOYSA-N	305.740	3.508	50	20	DHGD	
CCCn1cccc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	772175267	ICWRZXMUOOCEGY-LCYFTJDESA-N	300.308	3.966	50	20	DHGD	
CC(C)(C(=O)NNc1cnc2ccccc2n1)C1CCCCC1	774783715	BJTSUONWOISAFO-UHFFFAOYSA-N	312.417	3.679	50	20	DHGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)C1CCCC1	775275845	LIYKAOWRXACCBL-QMMMGPOBSA-N	302.205	3.658	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@H]21	777398618	VLCXDFLWNLMJIO-TWHCRKDUSA-N	324.424	3.615	50	20	DHGD	
CC(C)c1ccc(-c2noc(CN3CC=C(C#N)CC3)n2)cc1	779585812	IMJDRJQQWAIMNE-UHFFFAOYSA-N	308.385	3.516	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	785612252	NJJHHGKHBMXWFD-CQSZACIVSA-N	311.307	3.622	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)c1nccc2ccccc12	790228555	PFEPTIWFEWSNEW-WJDWOHSUSA-N	300.317	3.997	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	793712108	BNKIQZIRWJRFON-UWVGGRQHSA-N	300.324	3.763	50	20	DHGD	
Cc1ccc2c(C(=O)NNC(=O)CC3CCCC3)csc2c1	795065384	WJMZJQHDRNUEKS-UHFFFAOYSA-N	316.426	3.551	50	20	DHGD	
Cc1ccc2c(C(=O)NNc3nc4ccccc4[nH]3)csc2c1	795217456	SDGFKHZBDMJSGQ-UHFFFAOYSA-N	322.393	3.843	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(C)ccc1OC	797329415	XLEDDTCASGUILQ-VBKFSLOCSA-N	300.402	3.607	50	20	DHGD	
COc1cc(Cl)c(NC(=O)NNc2ncccc2C)cc1C	808898309	APRVPPADAAHEJS-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)[C@H]1CCCSC1	813051910	VZEUXNIMKOFTHF-NSHDSACASA-N	317.366	3.797	50	20	DHGD	
O=C(CCSc1cccc(Cl)c1)NNc1ccccc1	813493819	ORLWAZDNVLASJP-UHFFFAOYSA-N	306.818	3.966	50	20	DHGD	
Cc1c(C=NNC(=O)c2ccc[nH]2)sc2c(Cl)cccc12	814778656	PQBLTOKFHBEEIU-UHFFFAOYSA-N	317.801	3.955	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)N(C)CC(Cl)Cl)c2)cc1	816629111	YCLLXFAPJXVOSC-UHFFFAOYSA-N	323.223	3.933	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1ccc(Cl)nc1	819886058	OWJHOIKMTJJIEU-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C1[C@H]2CCCCCC[C@H]12	830806552	PCCDORDGSDIOLK-KBPBESRZSA-N	324.371	3.948	50	20	DHGD	
Cc1cc2c(=O)n(CCO[Si](C)(C)C(C)(C)C)cnc2s1	840204606	YBIJKRGZMXODKC-UHFFFAOYSA-N	324.522	3.788	50	20	DHGD	
CC[C@@H](NCc1ccc(OCCCCl)cc1)[C@@H](O)C(C)C	840969139	YMBUYWOXTOONTO-SJORKVTESA-N	313.869	3.579	50	20	DHGD	
CSCC1(CC(=O)NNc2ccc(C(C)(C)C)cc2)CC1	845928323	BNKCSSLVXCSJID-UHFFFAOYSA-N	306.475	3.961	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1ccc(OC)cc1OC	853303159	OPBWZNYNUUTMKJ-CYBMUJFWSA-N	316.401	3.556	50	20	DHGD	
O=C(O)c1cccc(C(=O)NN=C2CCCCC23CCCC3)c1	853426505	NEUTWWXTLFANIO-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
O=C(O)c1cccc(C(=O)NN=C2CCC(=C3CCC3)CC2)c1	853427989	YVZROQBUALZDEB-UHFFFAOYSA-N	312.369	3.525	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)OCC(F)(F)F	853430256	BMVVBGJWGGCNAF-UHFFFAOYSA-N	302.296	3.592	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(C)[C@@H]1CCCC[C@H]1c1ccccc1	854952888	OQDIKRWHFNDDQN-LJONUGOCSA-N	312.413	3.615	50	20	DHGD	
C/C(=C\C(=O)OC[C@@H](C)CBr)c1cccs1	856982209	CRGOECXDDXBCMR-CMWXKVOJSA-N	303.221	3.726	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3ccc(O)cc32)C[C@@H]1Br	857083119	TYXDCPSMQAINFX-QLFBSQMISA-N	310.235	3.533	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NC[C@]2(C)C[C@@H]2Br)cc1	857393479	LFCOVNHHUUHHLG-BBRMVZONSA-N	324.262	3.562	50	20	DHGD	
Oc1ccc([C@H]2CCCN2C[C@@H](CBr)C2CC2)cc1	859174019	OBITWFWFWCARNM-GDBMZVCRSA-N	324.262	3.950	50	20	DHGD	
COc1cccc(C(C)(C)C(=O)NNc2cc(C)ccc2F)c1	866878940	INIKPWDZVMHCSH-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(F)cc2Cl)cc1C	885137406	WWMHKTKANMXQBU-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
C[C@@H](NC(=O)[C@]1(C)C[C@@H]1Br)c1cc2ccccc2o1	907634296	KWHSBFMJWFXZHH-ZDBHGNHJSA-N	322.202	3.784	50	20	DHGD	
CCOc1cccc2cc(C(C)=NNC(=O)c3ccccc3)oc12	916248582	GFWFHQCXSRSKCO-UHFFFAOYSA-N	322.364	3.986	50	20	DHGD	
COC(=O)NN=C(C)c1ccc(Oc2ccccc2)c(F)c1	917531254	FGQWORVIWKZSFA-UHFFFAOYSA-N	302.305	3.698	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1ccccc1Cl	917556379	UVGRIZBZYJKYJN-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1csc(C(C)(C)C)n1	920371111	PZEJTFHNBHWMKX-UHFFFAOYSA-N	301.415	3.513	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCc2ccccc2F)cc1	1318563244	IIIOFPGRJKJRLQ-UHFFFAOYSA-N	314.360	3.573	50	20	DHGD	
CC[C@H](C)n1nccc1C(=O)NNc1c(C)cccc1Cl	1347663414	VZRWZABESFPOOF-NSHDSACASA-N	306.797	3.573	50	20	DHGD	
COc1cccc(C[C@@H](C)NC(=O)C2CCC(Cl)CC2)c1	1548645813	FKWZEZGFAUDOIP-LRVUVFPRSA-N	309.837	3.540	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)cc1	26887038	KAIQTPTVWTWCKB-LDADJPATSA-N	320.392	3.617	50	20	DHGD	
O=C(C[C@@H]1CCCO1)NNc1c(Cl)cc(Cl)cc1Cl	42195770	QXJGCAQJQGTXPN-QMMMGPOBSA-N	323.607	3.659	50	20	DHGD	
CCCCCOc1ccc([C@H](C)NC=C(C#N)C#N)cc1OC	55007400	WDRFRBMXCPPTCS-AWEZNQCLSA-N	313.401	3.846	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2ccc(Cl)cc2)cc1	120252530	UYZLFFBKMFJSQM-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Cl)o1	132716123	WQCJDLPMBDBVCE-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2nc(Cl)ccc2Cl)c1	150796728	RKXOUUYSIFTSKF-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Cl)cn1	151877861	GDBXBIPOSNKRPL-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1cc(C)ccc1C	158934862	PISNSPLSQDBOFO-INIZCTEOSA-N	316.376	3.743	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2C)c1C	175193215	ASUWJQHFJMFUSE-GZTJUZNOSA-N	322.412	3.764	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cc(C)cc(C)c1	181481559	LOQOCNWILSATHN-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2ncccc2c1	182215574	KDOTYKLIDONFNR-XNTDXEJSSA-N	317.323	3.920	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1O	206854092	KFVFVVBPUJKLPH-GZQZNAIASA-N	320.392	3.793	50	20	DHGD	
N[C@@H](CNC(=O)CCCC[C@H]1CCSS1)c1ccccc1	237968468	WKKZTHPJCUWJBQ-GJZGRUSLSA-N	324.515	3.517	50	20	DHGD	
COc1cccc([C@@H]2CCCN2C[C@@H](C)CBr)c1	248788871	XTYIDZLRZVNGMQ-WFASDCNBSA-N	312.251	3.863	50	20	DHGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)C(=O)NC1CCCC1	588419283	NLGADCWJMYCQGB-XFXZXTDPSA-N	322.380	3.967	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1cccnc1	727781938	ZYSSROBUMFFOPO-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CCCOc3ccccc32)cc1	728427700	IHYXBOWTHGTMRM-UHFFFAOYSA-N	308.381	3.556	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCc2ccccc21	729280763	OVOFEUBKSLGDEL-CQSZACIVSA-N	302.324	3.528	50	20	DHGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)CC(C)C)sc2c1	729309864	MYGSHBUORIXRBJ-UHFFFAOYSA-N	324.833	3.670	50	20	DHGD	
CCC(=NNC(=O)[C@@H](CC)c1ccccc1)c1ccc(O)cc1	731931020	AIJXHYWIYJYHAL-KRWDZBQOSA-N	310.397	3.816	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1cnnc2ccccc12	733812582	YPMGIUFQFMYRTE-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(F)cc1)c1cc(F)ccc1F	741092879	IPPSHOSNOQALEM-OAHLLOKOSA-N	323.318	3.881	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)C1C(C)(C)C1(C)C	746557109	PTEJZYJSEPPKRW-UHFFFAOYSA-N	301.434	3.541	50	20	DHGD	
COc1ccc(NNC(=O)CCc2ccc3ccccc3c2)cc1	746885628	BPJAUBUMQNTRCV-UHFFFAOYSA-N	320.392	3.924	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cccc3c2CCCC3)s1	748584864	BXGWEJPHWCROTO-UHFFFAOYSA-N	314.410	3.586	50	20	DHGD	
CC(C)(C)C(=O)NN=C1CCOc2c(Cl)ccc(Cl)c21	748585241	FBQWGOSLIRFCRS-UHFFFAOYSA-N	315.200	3.642	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1ncccc1C(F)(F)F	750240957	AXNIPDQPUGRLIY-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	752408797	QIJXUHIPLSLGJL-RGHBXIHOSA-N	300.377	3.771	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)NCc1cccc(C(F)(F)F)c1	755673783	PSYAJLKBMCNZNS-SNVBAGLBSA-N	301.312	3.537	50	20	DHGD	
Cc1ccnc(COC(=O)CCCC[C@@H]2CCSS2)n1	756159766	ZGFIOLAMRJKLMH-GFCCVEGCSA-N	312.460	3.542	50	20	DHGD	
Cc1cc(F)c(C(=O)NNc2nccc3sccc23)cc1F	758297019	UVIQARJGRJNGPN-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
CC[C@@H]1CCCC1=NNC(=O)c1ccc(OC(C)C)c(OC)c1	758371493	KWBXBOJRMJCDSV-CYBMUJFWSA-N	318.417	3.778	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2ccncn2)ccc1Br	758911995	LCCIILFGZKXFLF-KPKJPENVSA-N	300.159	3.612	50	20	DHGD	
O=C(NN=C1CC(C(F)F)C1)c1c(Cl)cccc1Cl	766023041	WECMWOZFJILLPN-UHFFFAOYSA-N	307.127	3.754	50	20	DHGD	
C[C@@H]1c2ccccc2CCN1C(=O)[C@H](Br)C(C)(C)C	767980300	DKWWTKLULBYNEP-RISCZKNCSA-N	324.262	3.942	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2c(F)cccc2Cl)c1F	770197287	RLIFHEKVMUHIRU-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
COc1c(C)ccc(NC(=O)NNc2c(C)cccc2F)c1C	771103883	ODQFFONDLAPFBR-UHFFFAOYSA-N	317.364	3.908	50	20	DHGD	
C[C@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	771460754	DTARVHXLJQHMQI-NOICUEDQSA-N	311.385	3.971	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1ccccc1[N+](=O)[O-]	775432518	JEOJVAAJPYDKFY-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H]1C1CCCC1	781078770	MUBWOPHYLLYGCX-STQMWFEESA-N	316.283	3.977	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CCc1ccc(C)cc1C	788188336	HJQGNPOVEWXEBM-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccccc1C	788702139	PIEPIUHLDKIXQJ-UHFFFAOYSA-N	300.789	3.975	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2ccsc2Cl)cc1C	790143508	KKMRIXIYMGEJFM-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
Cc1ccccc1[C@H](NC(=O)NNc1ncccc1C)C(C)C	791024588	ZIVVXVQAHSBAPW-MRXNPFEDSA-N	312.417	3.722	50	20	DHGD	
CSSCCNC(=O)Cc1c(C)nc2ccccc2c1C	791100113	ODZPFPDXRGDHEY-UHFFFAOYSA-N	320.483	3.522	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1)c1ccc(C(F)(F)F)cc1	798983041	HWXCNBMVPYAHEM-LLVKDONJSA-N	308.303	3.952	50	20	DHGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)OC(C)(C)C)C1	799103813	HHDOFWSTHPBNGO-ZDUSSCGKSA-N	303.406	3.928	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(F)c(C)cc1F	799757055	SIWIBFNCIFPZIO-UHFFFAOYSA-N	304.340	3.901	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	804358610	JSQMQNMZJBXYNU-UHFFFAOYSA-N	318.461	3.718	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1ccc(C2CCC2)cc1	806472827	MXVCEWSUBZCYMM-UHFFFAOYSA-N	300.337	3.637	50	20	DHGD	
COc1cnc(NC(=O)NNc2ccc(C(C)(C)C)cc2)s1	806513118	AKLJDOFUKCIKBU-UHFFFAOYSA-N	320.418	3.598	50	20	DHGD	
CCN(CC)C[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	808731783	AGHTWSQBVAZTJC-INIZCTEOSA-N	314.590	3.672	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc(F)c2C#N)c1C	811686654	ZBHAXZOHQRDHPA-DHDCSXOGSA-N	319.339	3.860	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2ccsc2C)c1C	814747778	CZVQEAMFLLOUPT-ZDUSSCGKSA-N	316.426	3.591	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CC[C@@H](c2ccccc2)C1	814840897	UHIFGCMCQGTJLR-QGZVFWFLSA-N	322.408	3.765	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1cc(C)oc1C	815005998	FCUHJLLLBJFRPY-UHFFFAOYSA-N	307.300	3.720	50	20	DHGD	
C[C@@H](CSc1ccccc1)C(=O)NNc1cccc(Cl)n1	817007399	AIJVQHKAVULDDJ-NSHDSACASA-N	321.833	3.607	50	20	DHGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	826799333	CREZLJSQXKLDJK-RKDXNWHRSA-N	321.368	3.821	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H]1CCCCC1(F)F	828828048	DVEJWRAWWHKNHS-MRVPVSSYSA-N	324.158	3.657	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1[C@H]1CCC[C@@H]1O	831167072	YQUCYTPAKOLFGW-OAGGEKHMSA-N	313.558	3.634	50	20	DHGD	
CC[C@](C)(C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834932366	GYYLLPCLEGZWGP-CYBMUJFWSA-N	303.189	3.524	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NC[C@]2(C)C[C@H]2Br)c1	856808553	AKVMYLDIZPQLIP-OCCSQVGLSA-N	311.223	3.598	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NC[C@@]1(C)C[C@H]1Br	857392859	HALFGMFQIJZGPV-DGCLKSJQSA-N	316.626	3.552	50	20	DHGD	
Cc1cc([C@H]2CCCN2C[C@@H](CBr)C2CC2)no1	859060367	QCWSNKXDCULJIA-TZMCWYRMSA-N	313.239	3.541	50	20	DHGD	
COc1cccc(C2(NC[C@@H](CBr)C3CC3)CC2)c1	859234978	GCSDFNTUBKCDGW-CYBMUJFWSA-N	324.262	3.695	50	20	DHGD	
C[C@H](CN(C)C[C@H](CBr)C1CC1)c1nccs1	859246209	OWFLUMBAQYZEJB-PWSUYJOCSA-N	317.296	3.600	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(Cl)cc1F	885107119	SUVBCDAMWAIAQD-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(Cl)cc2F)CC1	885107821	OUTVXRIXJCRHIC-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
O=C(NN=C1CCCc2[nH]c3ccc(F)cc3c21)c1ccccc1	914555721	LBFRNLWWMKXGQP-UHFFFAOYSA-N	321.355	3.777	50	20	DHGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)C(C)C)cc1	920364602	ALXUMPBCZSOFSR-USRLUWELSA-N	302.418	3.722	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc2ccccc2c1OC(F)F	920947129	CPIQIBCHFMXWTA-UHFFFAOYSA-N	318.323	3.691	50	20	DHGD	
CC(C)(C)Cc1cc(NC(=O)CCl)n(-c2ccccc2)n1	1116439195	MIRXPQWQIBKSPP-UHFFFAOYSA-N	305.809	3.638	50	20	DHGD	
CO[C@@H]1Cc2ccc(NC(=O)C3CCC(Cl)CC3)cc2C1	1123783033	MDGHNCFCNQJABH-HFLCMSJXSA-N	307.821	3.536	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(Cl)cc1C	1332479152	ZRUCSMRDIALJQT-UHFFFAOYSA-N	320.824	3.745	50	20	DHGD	
Cc1ccccc1[C@@H]1CN(C(=O)C2CCC(Cl)CC2)CCO1	1346710158	HYTLOUXZQPQYMF-DQPZFDDXSA-N	321.848	3.693	50	20	DHGD	
CC(C)(C)C(C)(C)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1589698635	FTNMCLUUADDTBU-UHFFFAOYSA-N	312.797	3.554	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1C(F)(F)F	1590928272	ZIQVLAIKHFBDLK-VZUCSPMQSA-N	311.259	3.536	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1sccc1-n1cccc1	30615410	FPWGENLQWYCNHJ-UHFFFAOYSA-N	317.801	3.949	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H]1c1cccnc1	36134208	FQUVPRMDCRRSKK-MRXNPFEDSA-N	300.789	3.798	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)CC(C)C	81618986	XITCVCKQTWMEAI-UHFFFAOYSA-N	313.873	3.541	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(OC(F)F)cc2)c1	123165163	BWNDXVQNAQNSMZ-GFCCVEGCSA-N	320.339	3.843	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccccc2C(F)(F)F)no1	133745114	WBYPFFKKKYIUIU-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1C	134257705	HQRCSNDXLLVZGR-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CSc1cc(C(=O)NNc2ccc(Cl)cc2)ccc1F	153622647	DTHHRZUQOLDZDC-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
I[C@H]1CCCC[C@H]1OCC1CCCC1	158495997	KIVWHCQSIPUXQO-NWDGAFQWSA-N	308.203	3.939	50	20	DHGD	
CC(C)(C)O[C@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	161095441	IPEKARMEFRFGRI-KRWDZBQOSA-N	323.396	3.558	50	20	DHGD	
O=C(CC1CCC1)NNc1ccc(Br)cc1Cl	176002455	CKGRALVMMHJVRW-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)c1nc2ccccc2n1C(F)F	179324631	IBLISWKRDPTQOD-YRNVUSSQSA-N	313.311	3.538	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2O)cc1	179772397	JGXQIWASMFVIQT-RVDMUPIBSA-N	322.364	3.645	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)S(=O)(=O)CCC)cc1	191762092	AJDCUWROYSMAAF-FOWTUZBSSA-N	307.415	3.555	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccco2)ccc1OC(F)F	212651302	RIVGZGGWPXPLRT-XFFZJAGNSA-N	319.263	3.679	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=Cc2cccs2)cc1	254881054	APXGVZLMSCSLNS-UHFFFAOYSA-N	323.421	3.920	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc([C@H]3CCOC3)c2)c1	270941030	WMAZYEGGPXBBGV-KRWDZBQOSA-N	310.397	3.564	50	20	DHGD	
C=C(CBr)CN[C@@H](COCC(C)C)c1ccco1	279757006	QYCJEHRBEGSHKD-ZDUSSCGKSA-N	316.239	3.534	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)[C@@H]1CCCOC1	280854022	BUAGJRGZIICRRL-GFWHJHDHSA-N	324.424	3.580	50	20	DHGD	
COCc1ccccc1/C=C(C)/C=C(\C#N)C(=O)NC1CCCC1	491079818	BSFKTRNUTBWXTG-KFGDLTOCSA-N	324.424	3.745	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccnc2ccccc12	731314276	JAXCAZUFCGUHCW-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
C[C@H](CNC(=O)NNc1ccc(OC(F)F)cc1)C(C)(C)C	734673570	MMWWNQPZLVMXDC-SNVBAGLBSA-N	315.364	3.596	50	20	DHGD	
C=CCC(=NNC(=O)c1ccc(C)cc1O)c1ccc(F)cc1	735612008	CMFMKAUEUOOHKD-UHFFFAOYSA-N	312.344	3.550	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1SC	741165698	QRNIGACYPFKZJP-DELQEKLWSA-N	319.426	3.948	50	20	DHGD	
CC[C@@H](SC)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	746939193	SUYJIDURNBOSED-CQSZACIVSA-N	305.355	3.795	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(F)c(Br)c2)cc1	749193904	MMZDVZGMINXKBB-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)(F)F)s1)c1ccccc1F	761742883	IOQIGPAGUYILBK-UHFFFAOYSA-N	316.279	3.670	50	20	DHGD	
Cc1cc(C=NNC(=O)COc2ccc3ccccc3c2)c(C)o1	767899638	NZRGUWFWCXFDAH-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(F)c(F)c2F)c1C	769923868	UVNABTFRNHBSOI-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1ccccc1C(F)(F)F	773214274	SZMTXEKPNJUDBM-SECBINFHSA-N	306.353	3.680	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1ccc(F)cc1	777872558	WRLAHJKGQUESIO-KPKJPENVSA-N	314.247	3.663	50	20	DHGD	
CCCCCc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	779350934	HYMMXNUNWWGEHU-UHFFFAOYSA-N	321.421	3.981	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cn1	780153646	PLAIPLJOXGYJHX-WUXMJOGZSA-N	321.311	3.500	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1	780806221	CPDLQIDQOBAJQV-UHFFFAOYSA-N	314.433	3.762	50	20	DHGD	
C[C@@H](C1CC1)N(C(=O)[C@@H](Br)C(C)(C)C)C1CC1	781083227	VMCKJWQDOOIQKY-JOYOIKCWSA-N	302.256	3.586	50	20	DHGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)C(=O)C2CCCC2)cc1	781555129	ZDZCMIKZLLJQGY-GDNBJRDFSA-N	321.380	3.752	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(F)c1[N+](=O)[O-])C1CCCCC1	791069517	MRRJDSHAYNNZJE-UHFFFAOYSA-N	323.368	3.784	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1	791213425	JVOYTQBOYUYEOC-ROUUACIJSA-N	317.392	3.790	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)cc1Br	794691334	NHSPIKMXIVSPKS-CEXMDJMXSA-N	322.202	3.980	50	20	DHGD	
COC(=O)N(C)N=C(C)[C@@H](C)Oc1ccc(Cl)cc1Cl	794958275	TUYQBOAMZNGBKS-SECBINFHSA-N	319.188	3.835	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CC1=CCCCC1	798143354	PZSUSDQXYYGSEH-UHFFFAOYSA-N	308.813	3.587	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1c(F)cccc1Cl	803115839	ASAWQEDBAOTRKK-UHFFFAOYSA-N	318.735	3.911	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1nccnc1C1CCC1	805460211	UJJZKOCMQANZLH-UHFFFAOYSA-N	324.428	3.700	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(F)c(Cl)cc1Cl	808129338	PTBZJQCQWQAUKR-UHFFFAOYSA-N	304.963	3.666	50	20	DHGD	
CC[C@H](C)C(=O)NN=C/C(C)=C\c1ccccc1OC(F)F	811638998	LDWMHZKXRUFBNB-LKYHDFKRSA-N	310.344	3.839	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC(C)(C)C[C@H](C)O	813080418	FYPROFULHJFDBM-AWEZNQCLSA-N	321.465	3.542	50	20	DHGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	815850200	BQAODFRAWQXCST-GXSJLCMTSA-N	317.216	3.642	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)c(C)c2)cc1	817915298	HQVQNACMXKDXDD-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
C=CCC1(C(=O)NNc2ccccc2[N+](=O)[O-])CCCCC1	822148717	QOSMWVAWNVTBMJ-UHFFFAOYSA-N	303.362	3.565	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccc(C2CC2)nc1C	836935979	DRPDRAOJPYGMPN-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
Cc1ncc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)cn1	844335619	GYOYZZGELYHTDL-INIZCTEOSA-N	321.541	3.771	50	20	DHGD	
COc1cc(CN(C)CCO[Si](C)(C)C(C)(C)C)sn1	852209750	UZMPCGOVAOIVFP-UHFFFAOYSA-N	316.543	3.605	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCC2CCOCC2)C1	852523743	KNSDNANBTUWQME-MRXNPFEDSA-N	313.558	3.899	50	20	DHGD	
COCCC1(C(=O)NNc2ccc(F)c(Cl)c2)CCCC1	863080889	QUZFSUNNXGFVCT-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1ccccc1F	1115828595	GODMLZNCUYCEIP-QINSGFPZSA-N	317.323	3.801	50	20	DHGD	
CCc1ccc(C(=O)NNc2c(F)cccc2F)cc1CC	1319933224	YJZSUCKNGZXWPU-UHFFFAOYSA-N	304.340	3.847	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)nc2O)cc1Cl	1333653782	JIODFLJGOQXLBC-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
C#CC[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	1343308488	HARLZXMOHFZUFA-PWDRBQJJSA-N	312.413	3.767	50	20	DHGD	
O=C(NCc1nc2c(s1)CCCC2)c1cccc(CCl)c1	1358475583	RVUPMQUQPTYMOR-UHFFFAOYSA-N	320.845	3.691	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)c1cccc(CCl)c1	1600158355	LCKLNHXPEUQRCZ-UHFFFAOYSA-N	317.772	3.993	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1cccc(C(=O)O)c1C	1605261723	IJJSWNPHMROYJK-LBPRGKRZSA-N	306.406	3.743	50	20	DHGD	
O=C(CC[C@@H]1CCCO1)NN(Cc1ccccc1)c1ccccc1	32256647	ZTJZQUKWMIODPB-IBGZPJMESA-N	324.424	3.684	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2c(c1)CCO2	133291930	QKNDLNDDLRQEOT-UHFFFAOYSA-N	323.179	3.685	50	20	DHGD	
FC(F)(F)CO[C@@H]1CCCCC[C@@H]1I	158360875	CJDMWKMZXSPCKN-JGVFFNPUSA-N	322.108	3.702	50	20	DHGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNc1cccc(Cl)c1	159534372	QYRJALCMMNEWSR-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(C)C)c(OC(F)F)cc1C	174060281	OGEPMPDOHKBFMJ-VGOFMYFVSA-N	322.355	3.584	50	20	DHGD	
CCCc1ncc(C(=O)NNc2ccc(Cl)c(F)c2)s1	175413067	UBLZGXSFFQKSIX-UHFFFAOYSA-N	313.785	3.645	50	20	DHGD	
Cc1cccc(NNC(=O)C2(Cc3cccc(F)c3)CCC2)c1	188371048	SVWDWXURDAJRQF-UHFFFAOYSA-N	312.388	3.990	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1	192774436	VVPCIZLGHQJZGX-BJMVGYQFSA-N	319.723	3.630	50	20	DHGD	
CCN(CC)c1ccc(C=NNC(=O)CCc2ccccc2)cc1	254836322	HVYJDKHLWLZZMR-UHFFFAOYSA-N	323.440	3.616	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OC(C)C)c(OC(F)F)cc1C	254972500	MAOCKUWLEHGBEC-QPEQYQDCSA-N	309.312	3.763	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COC(C)C	267157137	PQXBYSTYRGCFTP-UHFFFAOYSA-N	306.431	3.748	50	20	DHGD	
CC[C@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC=C(C#N)CC1	272654017	NLZAACDWUGYCRS-LSDHHAIUSA-N	311.429	3.683	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccnn1C(C)C	280925197	HSSZYMQEEPCXOU-XNTDXEJSSA-N	308.385	3.627	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)cnc1Cl	490725892	LMVMXTNZAWYBRJ-GHXNOFRVSA-N	315.735	3.728	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)ccc1C	490813358	OZJZPPMYRDOZRH-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1cnc2ccccc2n1	588580650	MZMPNDYRDSDSCU-JYRVWZFOSA-N	302.293	3.602	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)c1ccc2ccccc2n1	729631344	HERIOAHDBGYNAO-UHFFFAOYSA-N	309.394	3.645	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1cccc(OCc2ccccc2)c1	731932420	KEVOYAFYRATTJA-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1cc(F)c(F)cc1F	734551539	CYHUCRXRXRXNIG-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
CC#CCOC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	744565503	KHQUOXIDMIFRHG-LDADJPATSA-N	312.413	3.625	50	20	DHGD	
CCCCCCOc1cccc(/C=C(\C#N)C(=O)NC2CC2)c1	747033099	CWOTVQTXJHEAFZ-FOWTUZBSSA-N	312.413	3.831	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)NNc2cccc(C#N)c2)c1	748044144	JFKHZSYDRDAKJD-UHFFFAOYSA-N	317.801	3.690	50	20	DHGD	
CC(C)(C)c1ccc(CCC(=O)NNc2cccc(C#N)c2)cc1	748048172	KAHNANYMWSBGSP-UHFFFAOYSA-N	321.424	3.932	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccccc1Br	748066785	YDYPYFMNKLTGID-SDDRHHMPSA-N	323.234	3.719	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748730699	RPYCKHZPRVWIHT-ZJUUUORDSA-N	311.769	3.518	50	20	DHGD	
C[C@H](C=NNC(=O)CCc1ccccc1O)CCc1ccccc1	749164663	KILDSGZTAFWIIX-INIZCTEOSA-N	324.424	3.696	50	20	DHGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1nccc2sccc12	755802897	HVRHUWJHXKWUCB-GFCCVEGCSA-N	321.446	3.581	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1	756876718	LZSJHWSBQUVEOM-ZDUSSCGKSA-N	323.371	3.755	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1F)NC1CCCCC1	758074341	UALJTCWYICYSEY-CECLRLBKSA-N	307.344	3.596	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(Br)c1)c1ccncn1	758912444	NFULIICKELNWJN-BJMVGYQFSA-N	320.577	3.957	50	20	DHGD	
O=C(NN=Cc1cnc(C2CCC2)s1)c1c[nH]c2ccccc12	760224476	BTEWOWOXBCHVBR-UHFFFAOYSA-N	324.409	3.656	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cncc(C)c1	767370841	POKIOSJDOFMJPP-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@H]2CCC[C@H]2C)c(Cl)c1	768995305	HVFCVLULXXBNJC-VXGBXAGGSA-N	323.824	3.627	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	769605136	IYHKTKXYGSVXHM-NXEZZACHSA-N	311.769	3.518	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCCCSCc1ccccc1	786676954	FABFPSJAMMHEEY-WJDWOHSUSA-N	301.411	3.713	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCCCCF)cc1	791602571	NUBKITUOQABEJH-NTCAYCPXSA-N	305.349	3.675	50	20	DHGD	
Cc1nc2c(C(=O)NNc3ccccc3Cl)cccc2o1	792258829	LDKWBCLZILJACT-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CC(C)O[C@H](C=NNC(=O)c1ccccc1F)c1ccccc1	792886422	UJSPGSBTFSWMCS-QGZVFWFLSA-N	314.360	3.708	50	20	DHGD	
N#CC[C@@H](CC(=O)NNc1ccccc1Cl)c1ccccc1	793706439	LKIDYUNXXHFENV-AWEZNQCLSA-N	313.788	3.871	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccc3occc3c2)cc1	794912019	VTNGYCJEWXDOTP-UHFFFAOYSA-N	322.368	3.654	50	20	DHGD	
Cc1ccccc1-c1noc(C)c1C(=O)NN(C)c1ccccc1	794938637	QMGITCXAUDEVDN-UHFFFAOYSA-N	321.380	3.740	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1c(C)noc1C	799588778	RORFRESOIYQVJJ-NSHDSACASA-N	316.405	3.550	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)n([C@H](C)CC)n1	799757425	WDXYUWCWBGQTLE-CYBMUJFWSA-N	314.433	3.790	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1cc(C)c(C)o1	799879317	YCBPPFUTVJOUTM-UHFFFAOYSA-N	322.311	3.652	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@H]4C[C@@H]34)cc2C1	800808854	SGWCBLRLHGWQFV-NTZNESFSSA-N	302.443	3.779	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(Cl)cc1C	805377898	IYJBXEVINAHMGI-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CCN1CCC[C@@H](CNCc2ccc(OCCCCl)cc2)C1	811476532	MLPRGHFEDWNMRR-KRWDZBQOSA-N	324.896	3.516	50	20	DHGD	
CCc1cnc(C=NNC(=O)c2ccc3ccccc3c2)s1	814810943	ZTNZMNQYOREZOU-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
CSc1ccc(C=NNC(=O)CCc2ccccc2)s1	814825819	LJKBHUVQSMDUDI-UHFFFAOYSA-N	304.440	3.553	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1CCCO)Nc1ccc(Cl)cc1	815005091	RZZJPRVFNFJKIT-GFCCVEGCSA-N	323.824	3.780	50	20	DHGD	
C[C@@H](CC(=O)NNc1nc2ccccc2n1C)C1CCCCC1	816577506	OQZNQCAFVMKKAH-ZDUSSCGKSA-N	314.433	3.623	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc(C2CCC2)cc1	817005525	XOMJGFUBBNZEOR-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
C/C(=C/C(=O)NNc1cccc(Cl)n1)c1ccccc1Cl	817010202	RARRTQXLPKFKAD-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
CC(C)[C@H]1N(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1(C)C	817218293	XIAXPRQMUYJBEZ-IHWMJMDHSA-N	300.377	3.626	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](SC)c2ccccc2)cc1	817899110	HYGJXUKEJQBLRV-INIZCTEOSA-N	316.426	3.633	50	20	DHGD	
COc1ccc(NC(=O)NCCSSC)cc1SC	839157720	KXNFLMCTXCGIJB-UHFFFAOYSA-N	318.489	3.550	50	20	DHGD	
Cc1ccc(-c2nn(C)cc2/C=C(\C#N)C(=O)CC(C)(C)C)o1	843264477	IPBLZOBLTIGPOQ-MDWZMJQESA-N	311.385	3.901	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCCO2)c1nc(C2CC2)cs1	843266077	SIQTXGVYCSVRRR-JYRVWZFOSA-N	310.378	3.856	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccc2c1OC(C)(C)C2	847600335	KZAVKEUENMIGOQ-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	855365970	YEBRLVFHRBUNCM-DOMZBBRYSA-N	316.376	3.926	50	20	DHGD	
C=CC[C@H](C(=O)NC[C@@]1(C)C[C@H]1Br)c1ccccc1	857392037	XSAMFKYYOAFQBZ-SQWLQELKSA-N	322.246	3.636	50	20	DHGD	
O=C(CCc1cccs1)OC[C@@H](CBr)C1CC1	859456600	NCZZRJRYMRQTAP-LLVKDONJSA-N	317.248	3.645	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)[C@H]1CC12CCC2	862519133	TWPXKXJMUMWFIS-GOSISDBHSA-N	322.408	3.899	50	20	DHGD	
Cc1ccccc1NNC(=O)C(C)(C)Oc1ccc(Cl)cc1	865533877	CNVRPHUDRWXMOG-UHFFFAOYSA-N	318.804	3.949	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1CC#N	868492515	XMIPHNUSFJWVSM-UHFFFAOYSA-N	307.397	3.941	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2ccncc2)C1	891542984	ILHHQXODNHTIMD-OAHLLOKOSA-N	320.509	3.708	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1	891550147	SDECUIKYTDDEAZ-NEPJUHHUSA-N	319.468	3.654	50	20	DHGD	
CCCCCCC(C)=NNC(=O)COc1ccc(OC)cc1	917569322	XBOSPEBMXKISIH-UHFFFAOYSA-N	306.406	3.537	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)Nc1cnn(C2CCC2)c1	934304781	SXEKFAJURVOWPM-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC[C@](O)(c2ccccc2)C1	1331658804	INAHOYIEGCTHNZ-NURJGKTBSA-N	304.393	3.535	50	20	DHGD	
Cc1ccc([C@H](O)[C@H](C)NC(=O)c2cccc(CCl)c2)cc1	1335955174	CIUVPMPOUSSOEN-SUMWQHHRSA-N	317.816	3.586	50	20	DHGD	
C[C@@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCC(Cl)CC1	1548618491	NNQBSDSLAPECOT-DCBWTQNWSA-N	324.808	3.912	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccoc2C(=O)O)cc1	1596059251	YBBCBLPFEXPGKH-GDNBJRDFSA-N	309.321	3.720	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2ccc(C(=O)O)cc2)CC(C)(C)C1	1776100535	MPFJZNUWKXDZRM-UHFFFAOYSA-N	316.401	3.707	50	20	DHGD	
COc1ccc([C@H](C)N(C)C[C@H](C)CBr)cc1	133528048	CCSXREYYPALTTJ-NEPJUHHUSA-N	300.240	3.719	50	20	DHGD	
Cc1cccc(NNC(=O)c2cnc(-c3ccccc3)nc2C)c1	134866258	VPYWIVCCRULHPC-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3ccccc3F)coc2c1C	153149642	CZQAONOKJSKXQV-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
O=C(CCc1cccc(F)c1F)NNc1ccccc1Cl	158545795	CMPFBAGLQQIQPV-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)c1C	171982575	HDYMUOICDDXDCA-RIYZIHGNSA-N	322.330	3.764	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1cccc(C(F)F)c1	179818622	WMTNUIRMOOGXQR-UHFFFAOYSA-N	312.707	3.821	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccc(OC2CCCC2)cc1	180681220	ITEUZLACCMEYOC-UHFFFAOYSA-N	312.373	3.552	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1cc(C(F)(F)F)ccc1F	189012975	HQRMOAKFTVBPBH-ZDUSSCGKSA-N	304.287	3.890	50	20	DHGD	
C[C@@H]1C[C@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CCO1	271876381	LLWSDCOTSQRFTO-SJLPKXTDSA-N	324.424	3.540	50	20	DHGD	
CCc1ccc(CC(=O)NNc2ccccc2C(F)(F)F)cc1	303864848	MKPWTTPXOQRUOJ-UHFFFAOYSA-N	322.330	3.954	50	20	DHGD	
C[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	491013828	VMXWPJYVRGJAQR-HLVNSREUSA-N	324.405	3.507	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)CNc1ccccc1F	727254627	TWUVRCVXTHTZHL-CYBMUJFWSA-N	305.397	3.700	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ncccc1C(F)(F)F	740100835	RHGXYGAXGYUALM-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccccc2F)o1	748056152	BCCMLSDTTDJGBF-YPMHNXCESA-N	302.349	3.618	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2C[C@@]23CCc2ccccc23)c1	748359563	UPJSKYIKSWYGOE-AZUAARDMSA-N	306.409	3.651	50	20	DHGD	
Cc1c(NNC(=O)C2(CC(C)C)CCC2)cccc1[N+](=O)[O-]	748665888	KCRIWCNRSMDBKN-UHFFFAOYSA-N	305.378	3.563	50	20	DHGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)C2CCCC2)ccc1OC	749447908	YLAXIYSGKLBASO-CYBMUJFWSA-N	318.417	3.513	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1cc(F)ccc1F	749824008	UBTYSEGUHUGTIE-UHFFFAOYSA-N	314.291	3.865	50	20	DHGD	
O=C(NCC1(C2CC2)CC1)NNc1ccccc1C(F)(F)F	752699549	VITYWUWAHWTUCA-UHFFFAOYSA-N	313.323	3.522	50	20	DHGD	
Cc1ncc(C(=O)NNc2cc(Cl)ccc2Cl)s1	752811446	VWLQUTTXRIQABK-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccncc1Cl	752811625	ZBGMAMCWBNLWHR-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C[C@H](c1cccc(Cl)c1)N(C)CCI	759338897	QTWBGEOYCNUCNU-SECBINFHSA-N	323.605	3.768	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)[nH]1	760236226	UGERVEZGEIVONW-JTQLQIEISA-N	315.442	3.582	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1cccc(Cl)c1)CC2	761447743	JMRJESGAMAGTAQ-OAHLLOKOSA-N	316.788	3.522	50	20	DHGD	
COc1ccsc1C=NNC(=O)Cc1cccc2ccccc12	764685462	WJEQDDFIBBICNE-UHFFFAOYSA-N	324.405	3.603	50	20	DHGD	
CC(C)(C)c1ccc(OCC(=O)NN=C2CC(C(F)F)C2)cc1	766007804	BXDPEWLMGYXFQQ-UHFFFAOYSA-N	324.371	3.510	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCSc2c(F)cccc21	767826630	FJOUMQXOVYQVRN-UHFFFAOYSA-N	314.385	3.764	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3ccn(C)n3)n2)cc1	773148909	FMDPHBQJEQARPT-NTEUORMPSA-N	306.394	3.916	50	20	DHGD	
CCc1ccnc(C(=O)NNc2cc(Cl)ccc2Cl)c1	775544583	GBGLMNMXMCPKHL-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CC[C@H](C)C2)ccc1Br	776475047	FVZNAAJHANAZLP-GXSJLCMTSA-N	311.223	3.637	50	20	DHGD	
Cc1cc(C#N)ccc1COC(=O)[C@@H](Br)C(C)(C)C	777065961	JVMABGUEYOOEPF-CYBMUJFWSA-N	324.218	3.720	50	20	DHGD	
O=C(NNc1ccccc1)C1(c2ccc(F)cc2F)CCC1	777421244	LGFWAKVLZIBFER-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)c1cccc(Br)c1	786673459	HDOPXAORETZDMH-JLATVTFTSA-N	320.186	3.913	50	20	DHGD	
Cc1ccc2c(C(=O)NNc3ccc(C#N)cc3)csc2c1	795195112	YVTCISZVUXDEIO-UHFFFAOYSA-N	307.378	3.838	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CCC(C)(C)C	798311231	KKMJVDJECMBZGI-ZDUSSCGKSA-N	305.422	3.610	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)COc1ccc(Cl)cc1	799759242	JZUQXFLYAYXZPL-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
COc1cc(C(=O)NN=C[C@H]2CC[C@H](C)C2)ccc1OC(C)C	800808168	NAJUWJITVVORJA-KBPBESRZSA-N	318.417	3.634	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3nccn23)cc1C	809158751	CZVBICBDZADWRX-WJDWOHSUSA-N	301.349	3.741	50	20	DHGD	
C[C@H]1N(Cc2ccc(OCCCCl)cc2)CCOC1(C)C	811465116	CAESLGUPXQDSLQ-CQSZACIVSA-N	311.853	3.694	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnc2ccncc12	812769914	DPWMZYRDCOYDQD-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
CCC(=O)NN=C(C)c1sc(-c2ccc(F)cc2)nc1C	814708380	JWGPNYNYOXQUOH-UHFFFAOYSA-N	305.378	3.508	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccccc2)C[C@](C)(C(F)(F)F)O1	815148388	VCIJYDWPFPLFBK-SCZPIIQISA-N	324.346	3.983	50	20	DHGD	
COc1ccc(NNC(=O)c2cccs2)c(C(F)(F)F)c1	816702101	YCPKGMZOOZGZMA-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1CC(c2ccc(F)cc2)C1	817006223	BDJKYKWMCWJPSK-UHFFFAOYSA-N	319.767	3.511	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)c(F)c2)cc1	817899928	SKJMLVXGCYHTMA-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
CSc1cc(C)c(C(=O)NNc2c(C)cc(C)cc2C)o1	830791725	MEQSFOSXHXGWDV-UHFFFAOYSA-N	304.415	3.992	50	20	DHGD	
CC(C)(C)OC(=O)c1cccc(/C=C(\C#N)C(=O)C(C)(C)F)c1	834446601	BWOLPCXAQJMWAA-GXDHUFHOSA-N	317.360	3.866	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C2(C(F)(F)F)CCC2)cc1	837053191	MBSQZLCQJVJEEX-UHFFFAOYSA-N	300.324	3.986	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1ccc2oc(O)nc2c1	853717613	KFHALESTSWFQHP-UHFFFAOYSA-N	309.438	3.934	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2ccc(Cl)cn2)cc1C	856094284	CTKXFQCFFKANBY-LSDHHAIUSA-N	315.804	3.599	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NC[C@@]1(C)C[C@@H]1Br	857398541	RXSOTVGKVWUYPM-IJEWVQPXSA-N	324.262	3.545	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccccc2C)c(C)c1	865503006	UJZHCZFMVZXNRQ-UHFFFAOYSA-N	300.427	3.847	50	20	DHGD	
Cn1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c(C2CC2)n1	899378626	RZZMPBSRYWQIQU-WDZFZDKYSA-N	318.302	3.775	50	20	DHGD	
CCCn1ncc(NC(=O)C2CCC(Cl)CC2)c1C1CC1	1123896799	QRHSMOVTGNLGMX-UHFFFAOYSA-N	309.841	3.907	50	20	DHGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNc1ccccc1Cl	1317996374	RDWXWTMVJJMBHX-HNNXBMFYSA-N	315.804	3.962	50	20	DHGD	
C[C@@H](CN(C)C)[C@@H]1CCCCN1C(=O)c1cccc(CCl)c1	1337298269	DTCWLBNZDKSSKX-YOEHRIQHSA-N	322.880	3.618	50	20	DHGD	
CN(c1ccccc1)[C@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347830587	CMRGNWGQZIHZBS-DQPZFDDXSA-N	320.864	3.521	50	20	DHGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1ccc(F)c(Cl)c1	1348411619	MNLNLXLSFAVNKF-SNVBAGLBSA-N	314.788	3.660	50	20	DHGD	
CC[C@H](C)CCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1594959482	VQXJVUSUNHHRPA-NSHDSACASA-N	323.345	3.805	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)s1	1777433696	WBNZYNOWWKPZMM-IZZDOVSWSA-N	315.325	3.684	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1nccs1	6430363	WBIXTXPHIAFHIR-JXMROGBWSA-N	323.299	3.708	50	20	DHGD	
Cn1cccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	28941529	INSUWOGGJCPHKZ-NTCAYCPXSA-N	301.349	3.724	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccccc1OCc1cccnc1	44024714	LKAIGRNWYUDUAI-YVLHZVERSA-N	322.364	3.519	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CC2CC2)c(C)n1CC(C)C	55521431	ZCFGFSFJUUEPPK-NVMNQCDNSA-N	313.445	3.536	50	20	DHGD	
Cc1ccnc(NNC(=O)Cc2ccc(-c3ccccc3)cc2)c1	88423758	SICUASGDLVEJSV-UHFFFAOYSA-N	317.392	3.743	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cccc(Br)c2)c1	150802697	ZGJCINAYZFMWBF-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(Cl)ccn1	153649576	LFFLKUPPNKCZID-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(COC2CCCC2)cc1	157980282	XKGKZQCUVFTZOC-QINSGFPZSA-N	314.385	3.528	50	20	DHGD	
COc1cc(C#N)ccc1Oc1ccc(NC=C(C#N)C#N)cc1	158512465	DBQBCONBMQKXON-UHFFFAOYSA-N	316.320	3.702	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	171686641	PNEYFKRBRFJARK-XNTDXEJSSA-N	313.378	3.563	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)s1	179706635	LFUKKVQTWGZHJJ-FMIVXFBMSA-N	311.362	3.618	50	20	DHGD	
CSc1ccc(NC(=O)[C@@]2(C)C[C@@H]2Br)cc1	205582230	IMZLBPNAHAYFLH-JQWIXIFHSA-N	300.221	3.521	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1F	212600301	VRMXDUOMVMMQEF-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1cc(Cl)ccc1Cl	254578673	GSRMJEYUHSAUJB-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
Cc1nc(Cl)cc(NNC(=O)c2ccc(C(C)(C)C)s2)n1	268867362	SCWRKEPKCZTZEC-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
Cc1c(C(=O)N2CC=C(C#N)CC2)oc2ccc(Cl)cc12	271011835	FDURCWVSACGOPI-UHFFFAOYSA-N	300.745	3.691	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cn(C)nc2-c2ccncc2)sc1C	364818475	DZJSOEPHTAKBCI-RIYZIHGNSA-N	321.409	3.620	50	20	DHGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccccc1	490976957	RYZCVMHDNZGXEY-IZZDOVSWSA-N	305.259	3.579	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCO2	726119046	SPUVFXSEQSMQCU-LFYBBSHMSA-N	305.761	3.981	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1	734365680	PPOXOUFSTKMWKL-SNVBAGLBSA-N	306.312	3.721	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](C)c2ccccc2C)cc1	734769049	GSCUWDHNCZHLQB-OAHLLOKOSA-N	324.424	3.512	50	20	DHGD	
CCCCC(COC)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	737421984	BKKZNJOCRFMQBS-GFCCVEGCSA-N	322.474	3.795	50	20	DHGD	
CS[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1	739484977	LBCCFHLLQZRXRP-HNNXBMFYSA-N	317.366	3.913	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1)c1cc2c(s1)CCC2	747745813	BBNSOWUPFOSUSC-OFMUITAVSA-N	314.385	3.805	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-c3cnco3)cc2)c1	748395906	RUXGVIBAHJSJMI-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@H]2CCCC(C)(C)C2)cc1OC	752718603	NIHICYYVQWOBFY-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761394898	XISQIFSGHNBFNJ-YFHOEESVSA-N	315.175	3.956	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1c[nH]c2cccc(F)c12)c1ccccc1	763364841	WKUXNQREGRTVCL-HNNXBMFYSA-N	323.371	3.951	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	764715419	CTRRBSZFTBLOJP-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)[C@@H](C)CC	766695600	KUEPEBDNLDGIDL-NSHDSACASA-N	323.418	3.615	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1ccc(F)c([N+](=O)[O-])c1	771589285	CZOIYTQRJMELIV-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)COc1ccccc1C(C)C	771688618	HERBBQBVUKLOOO-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccn(-c2ccccc2)n1	773153581	IMZYAGDEEIMWHM-SDNWHVSQSA-N	303.321	3.564	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(C)(C)C(C)C)cc1	783814049	NJVDGMPFQWPBTQ-WJDWOHSUSA-N	314.429	3.791	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1ccccc1Oc1cccnc1	786664913	AVHWPZFIVHDHOK-MHWRWJLKSA-N	320.348	3.777	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc(F)c(F)c1F	793706993	QZNXISGMGYXHEZ-VHSXEESVSA-N	300.324	3.763	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CC[C@H](C)C2)cc1	794251590	APPAFXYTPVPUKZ-KNODJDPOSA-N	312.413	3.545	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CC[C@@H](C)C2)cc1	794251591	APPAFXYTPVPUKZ-LYHXMBKSSA-N	312.413	3.545	50	20	DHGD	
Cc1cccnc1NNC(=O)c1sc2cc(F)ccc2c1C	807388606	HBAQHSCQHOVMKI-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
N#C[C@H]1CCCC(=NNC(=O)c2c(Cl)cccc2Cl)C1	814833669	OWAIWDVMENICPU-VIFPVBQESA-N	310.184	3.793	50	20	DHGD	
O=C(CSc1ccccc1O)NN=C1CCC[C@H]1CCCF	814969420	WDTGRYADAIWDFE-LBPRGKRZSA-N	324.421	3.506	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1coc(C(C)C)n1	815006099	JPCAZOMIPIRRDC-UHFFFAOYSA-N	322.315	3.622	50	20	DHGD	
C[C@H](CC(=O)NNc1nc2ccccc2n1C)C1CCCCC1	816577505	OQZNQCAFVMKKAH-CYBMUJFWSA-N	314.433	3.623	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	817005162	HOXBMTXMSLLNCN-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1cc(Cl)ccc1Cl	828549162	KMZUXXAVMYKXNK-GMSGAONNSA-N	320.245	3.514	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc(N3CCCC3)c2)c1	830786643	YVVHKEOMWZPQTA-UHFFFAOYSA-N	309.413	3.661	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	833612169	RYTKQCCWQGHQFQ-GHMZBOCLSA-N	324.808	3.698	50	20	DHGD	
COc1cc(NNC(=O)C2CCC3(CC2)CC3)ccc1Cl	834716493	REFJBUZLUNCJMP-UHFFFAOYSA-N	308.809	3.762	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCCC23CCCCC3)cs1	834926788	WLWDYAYZHZJYGD-UHFFFAOYSA-N	305.447	3.601	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C(C)C)cc2)cnn1C(C)C	837052561	HPZTVOMPPCTCTK-UHFFFAOYSA-N	300.406	3.653	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCc2ccncc2)C1	852522214	HMYDVSWYNRXZME-MRXNPFEDSA-N	306.526	3.720	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(OC2CCC2)cc1	855366387	DNBOGKYXHNHWSN-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
C[C@H](CNC[C@]1(C)C[C@@H]1Br)c1ccc(F)cc1	856809266	LMBFJDNEVCDODW-SWHYSGLUSA-N	300.215	3.692	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863188690	JVBXQHBEHOJOFE-YHYXMXQVSA-N	323.361	3.846	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@@H](CF)C1	881594857	XEELLVATGWHQBG-STQMWFEESA-N	305.484	3.909	50	20	DHGD	
CSCCOC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	916602579	YPZBBJFOSIEKML-SXGWCWSVSA-N	320.458	3.574	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C/C=C\c1ccccc1[N+](=O)[O-]	916661920	FTKQNCANGDNPIN-WPFQCSIDSA-N	324.340	3.724	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)c1cncn1-c1ccccc1	1319180295	OMVTVQRPNWILTN-UHFFFAOYSA-N	312.417	3.804	50	20	DHGD	
C=Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc1	1776192931	NEBJRNCPAOSDNS-PTNGSMBKSA-N	318.332	3.573	50	20	DHGD	
CN(C)c1ccccc1NC(=O)NNc1ccccc1Cl	92226604	AVPDTXXHSFPRGM-UHFFFAOYSA-N	304.781	3.555	50	20	DHGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)c1ccccc1F	120048170	CMKQYCIRMFVQSL-ZDUSSCGKSA-N	312.388	3.951	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(C)c1	134264059	IBBGABHJYIIYCS-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
COc1nc(C(=O)NNc2cc(C)cc(C)c2)cc2ccccc12	158788095	ZMSWZPGHFGTYOT-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
N#Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	163416048	VJTJATHQQIAKKM-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnn(C2CCCC2)c1C	163799272	MKEKXSNAFKFMNP-UHFFFAOYSA-N	316.380	3.511	50	20	DHGD	
COc1cccc(C)c1NC(=O)NNc1c(C)cccc1F	194975741	KUZPLWUXRAAJDR-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/C=C\c1ccccc1[N+](=O)[O-]	213023279	IEBADTQZSFAWRL-HERXPTLBSA-N	308.293	3.842	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cncc(C(F)(F)F)c1	289580981	UYIRWZIEUYSSHR-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
C=C(CBr)CNC(C)(C)c1nc(C)c(C)s1	381372440	IVVVJCMVRPPCNX-UHFFFAOYSA-N	303.269	3.536	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)cc2F)s1	490689884	BVSBNQOFQVJNRK-WUXMJOGZSA-N	318.348	3.558	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)N[C@@H](CCC(C)C)C(C)(C)C)n1	734540757	FEJDXTYFOCNDHU-AWEZNQCLSA-N	321.469	3.570	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)N[C@H](CCC(C)C)C(C)(C)C)n1	734540759	FEJDXTYFOCNDHU-CQSZACIVSA-N	321.469	3.570	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3ccc(Cl)nc3)oc2cc1C	743817072	YNOGYVYBGXPILK-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1cc(C)sc1C	744776237	ROOANXXIOMKVSV-UHFFFAOYSA-N	322.817	3.878	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cccc2cccnc12	747355867	GCVADSIPHHDRPX-UHFFFAOYSA-N	307.353	3.566	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2cccc(Br)c2)C1	748029944	DGBCCHLYRRROQJ-MXBGMFSPSA-N	309.207	3.639	50	20	DHGD	
COc1ccccc1CC(=O)NN=CC[C@H](C)c1ccccc1	755660647	IIGBELAEOUBIRP-HNNXBMFYSA-N	310.397	3.534	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cc(F)cc(OC)c1	759310782	KNYHFKKCNFETFN-ZDUSSCGKSA-N	308.397	3.884	50	20	DHGD	
Cc1cc(C(=O)NNc2nccc3sccc23)cc(C)c1F	764270469	AWHCKQGFPQGCBS-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
CCCCCCCOc1ccc(C(C)=NN(C)C(N)=O)cc1	767910050	CZTWZWHIYBICJE-UHFFFAOYSA-N	305.422	3.770	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1coc(-c2ccccc2)n1	770383197	ROPWCKZLEDCJNL-JTQLQIEISA-N	324.174	3.529	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc(Cl)n1	771176023	SVHFWTOGWHQGHJ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)c1ccc(F)cc1F	771287365	RLESNCTZJHXOQJ-SNVBAGLBSA-N	323.318	3.800	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccc(Br)cc2)cc1	775373422	IYNHMYYLVMHCGQ-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1	776487727	LIZZLEVGDIDYID-QWRGUYRKSA-N	316.323	3.507	50	20	DHGD	
CCCC[C@@H](CC)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	776628239	NYUBBCBZQBTNBD-VQCBNXJZSA-N	300.402	3.632	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cccc(C(=O)OC)c1	780795340	ICUVFRLMOXKCPN-AWEZNQCLSA-N	318.417	3.523	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(-c3ccco3)[nH]n2)cc1	780805875	GFKCMWZRODKJTR-UHFFFAOYSA-N	324.384	3.724	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	782016598	HCARIJYKCGAXQN-JTQLQIEISA-N	316.323	3.855	50	20	DHGD	
CC(C)(C)C1CCC(C=NNC(=O)NCC(F)(F)F)CC1	783832694	LTJTXGMALHWBHR-UHFFFAOYSA-N	307.360	3.686	50	20	DHGD	
Cc1oc(-c2cccs2)nc1COC(=O)/C(C#N)=C\C1CC1	786674116	PKLWXRNERABGKQ-GHXNOFRVSA-N	314.366	3.615	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	787371778	XPUFGUZNDQJIOA-IIFMFPPTSA-N	312.413	3.632	50	20	DHGD	
CSSCCNC(=O)NCCCc1cccc(Cl)c1	790695979	JBHVOQMHHZWKSL-UHFFFAOYSA-N	318.895	3.583	50	20	DHGD	
CCc1ncc(C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791718409	BQTLHCYJUPRLBY-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCCCc1ccccc1F	793465007	RUZVZGQPTCULDK-UHFFFAOYSA-N	319.355	3.532	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C2CC2)cnc1Cl	793712917	YKQVDYVXQTZBIK-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
CCc1ccc(C(=O)NN=C/C=C/c2ccc(F)c(F)c2)cc1	794879703	MCEKEQLSALBJBD-XVYPUBKXSA-N	314.335	3.956	50	20	DHGD	
C[C@@H](C(=O)NN(C)c1ccccc1)c1ccc(C(F)(F)F)cc1	799099740	CLCUVWPLTUTGMB-GFCCVEGCSA-N	322.330	3.977	50	20	DHGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(-c2ccccc2)c1	806758116	FKLQFXHHELRXMP-UHFFFAOYSA-N	311.385	3.552	50	20	DHGD	
O=C(NNc1cccc(Br)c1)C1(F)CCCCC1	810041954	GEKQGYHNKVLINB-UHFFFAOYSA-N	315.186	3.565	50	20	DHGD	
CC[C@H](C)[C@](C)(O)CNCc1ccc(OCCCCl)cc1	811480144	QQDZTAGYSGHHLO-WMLDXEAASA-N	313.869	3.581	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@H]1CC2CCC1CC2	814315787	NTAFZKYXVJXEDR-CBINBANVSA-N	323.780	3.518	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)Cc2nc(-c3ccccc3)cs2)C1	814785822	IVKDHXDTIIXBEX-LBPRGKRZSA-N	313.426	3.645	50	20	DHGD	
CC(C)[C@H]1N(C(=O)[C@@H](Br)C(C)(C)C)CC1(C)C	817218692	IVCXVXCTVIDMBT-GHMZBOCLSA-N	304.272	3.689	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)c(Cl)c1	821777133	UXNBXJWFARTHFL-SWLSCSKDSA-N	310.825	3.543	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3c(c2)C[C@H](C)O3)c(C)c1	830791943	PVOOZYHCCSKFMG-AWEZNQCLSA-N	310.397	3.692	50	20	DHGD	
CC1(CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCCCC1	833563498	GPBFNVWDBRNZRG-UHFFFAOYSA-N	324.808	3.842	50	20	DHGD	
N#C/C(=C/c1conc1Cc1ccccc1)C(=O)C1CCCC1	834434405	IUZUXIBGJBLEHX-WJDWOHSUSA-N	306.365	3.932	50	20	DHGD	
CCCCCC(=O)NNc1cc(F)ccc1Br	839881818	RLCRVKZQHOHPIM-UHFFFAOYSA-N	303.175	3.612	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cnc(C(C)(C)C)s1	855367913	VKDYQNSIARIGCE-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
COc1cc(NNC(=O)C[C@@H](C)c2ccco2)ccc1Cl	861402304	SJNHMDUCIOWHOI-SNVBAGLBSA-N	308.765	3.579	50	20	DHGD	
CC(F)(F)CC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912581702	IUOWJJWHSOLDPB-LLVKDONJSA-N	307.457	3.654	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)[C@H](C)Oc1ccccc1F	915949196	DOUMLHRGGZIFLH-OLZOCXBDSA-N	308.397	3.911	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(C)s1	917028696	ZMQMURFULQSVJM-UHFFFAOYSA-N	315.442	3.626	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(Cl)ncc2F)cc1	935304623	YDPOYVSFSDHSNO-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1C#N	1116121057	JULCRUSDFQGTRC-MHWRWJLKSA-N	302.333	3.665	50	20	DHGD	
CC(C)c1scnc1C(=O)OC[C@@]1(C)C[C@H]1Br	1123039888	PDZUSWYYVGASGD-PRHODGIISA-N	318.236	3.597	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1ccc(O)c(Cl)c1	1321809796	OZEBYGPYCRDDPN-UHFFFAOYSA-N	320.751	3.533	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccccc1C)OCO2	1323860002	MSCIMZBTBZJTFN-AUWJEWJLSA-N	321.332	3.522	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)ccc1F	1324410237	YJNOWXVJRAWLID-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
Cc1nc(C(F)(F)F)nn1CCO[Si](C)(C)C(C)(C)C	1327619448	VIDVFXIPAXGSNL-UHFFFAOYSA-N	309.408	3.627	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)CCO1	1335829860	FZTMBWPUPBOCCI-VIFPVBQESA-N	317.216	3.642	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC[C@@H](Oc2ccccc2)C1	1336572686	XJRCIKKTXLDUPC-QGZVFWFLSA-N	315.800	3.719	50	20	DHGD	
Cc1csc([C@H](C)CNC(=O)c2cccc(CCl)c2)n1	1358129155	ZHZZOUMNSCTZOS-SNVBAGLBSA-N	308.834	3.724	50	20	DHGD	
COc1cccc2c1CC[C@H]2NC(=O)C1CCC(Cl)CC1	1528023677	KYIPBXUYFDKGJH-KOHJWAIASA-N	307.821	3.596	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cccnc2)cc1	3570439	VGXSZTVLVZQCTG-SFQUDFHCSA-N	305.381	3.970	50	20	DHGD	
N#C/C(=C/c1ccccc1Cl)C(=O)NCCc1ccccc1	33362172	QPPFVWVIUWBOPY-VBKFSLOCSA-N	310.784	3.606	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccccn1)c1cccc(Cl)c1	79213466	VESILPPTCCLRHT-CYBMUJFWSA-N	304.781	3.512	50	20	DHGD	
O=C(CCCc1ncc(-c2ccccc2)o1)NNc1ccccc1	111554218	WRSGUOPQXZOQTM-UHFFFAOYSA-N	321.380	3.808	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1SCCc2ccccc21	120342055	MELJIUZGMGAHGH-HNNXBMFYSA-N	318.829	3.814	50	20	DHGD	
O=C(Cc1ccsc1)NNc1c(Cl)cc(F)cc1Cl	124384045	QLSLSXTWEUUILH-UHFFFAOYSA-N	319.188	3.880	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2cc(C)ccc2F)c1C	152718125	ZLYTUMRDUVSKPT-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2csc(-c3ccccn3)n2)c1	158885702	MHRHYUWDEPMNQE-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1cc(Cl)ccc1/C=C(/C#N)C(=O)Nc1nccs1	163341475	ISNLMAAPYLBZIN-XFFZJAGNSA-N	303.774	3.651	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(Br)c(C)c2)o1	175383912	KIQNVNFGYYTYSQ-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
Cc1cc(F)c(C(=O)NNc2cccc3cnccc23)cc1F	178481100	HGEMHGGUVMJNAM-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COCc1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	192534755	KGYWCMAQMAYYPD-UHFFFAOYSA-N	322.368	3.530	50	20	DHGD	
Cc1ccccc1NNC(=O)Cc1ccc(Cl)c(Cl)c1	192736248	BGAPSUJIMJATOO-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C\c1ccc(Cl)cc1	255495072	OGDBOXIBBMRHAG-WTKPLQERSA-N	304.752	3.944	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(-c2ccccc2)o1	731321304	VOAJUVQNTRRSKI-UHFFFAOYSA-N	322.339	3.779	50	20	DHGD	
CCc1ccc(C(=O)NNc2nccc3sccc23)s1	734249843	JJLYCCYKPWOXJI-UHFFFAOYSA-N	303.412	3.677	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cccs1	741765166	RFJUDJNAFHEYTI-UHFFFAOYSA-N	316.430	3.750	50	20	DHGD	
Cc1[nH]c2ccc(C(=O)NNc3ccc(Cl)nc3)cc2c1C	743818109	MDWUAIJKFQLNAB-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CCCCNC(=O)NN=C(C)c1ccc(-c2ccncc2)cc1	745198998	XOZQOUVANAALAV-UHFFFAOYSA-N	310.401	3.572	50	20	DHGD	
O=C(NCc1cccs1)NNc1cc(Cl)ccc1Cl	752823786	CEUVFGHSSNWTBW-UHFFFAOYSA-N	316.213	3.881	50	20	DHGD	
C[C@@H](CC=NNC(=O)NCCc1cccs1)c1ccccc1	755668532	NCNRDIDZRGACPD-AWEZNQCLSA-N	315.442	3.769	50	20	DHGD	
Cc1ccc(-c2cccc(/C=C(\C#N)C(=O)NC3CC3)c2)cc1	757525156	DLMXRSYLJJZQBS-LDADJPATSA-N	302.377	3.848	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cnc3ccccc32)cc1)c1ccncn1	758908934	ABFDHMVXBJCPQC-LFIBNONCSA-N	323.359	3.880	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)NNc1c(C)cccc1F	771342803	YVJMUWRYIGNLKF-UHFFFAOYSA-N	301.365	3.577	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1cnc2ccccc2n1	774783433	VEHQJYWEZCDFGN-LBPRGKRZSA-N	300.406	3.535	50	20	DHGD	
N#C/C(=C\c1nc2c(s1)CCCC2)C(=O)c1ccsc1	776267423	ZRJDMMDAHYUNDG-YRNVUSSQSA-N	300.408	3.873	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cn1	780153236	MMFVWCCSKIWJSQ-POHAHGRESA-N	304.758	3.595	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2scnc2Cl)cc1	780808544	HNQNGJXZPOBXBT-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
COc1ccc(NNC(=O)c2cc(C)c(C)cc2Cl)cc1	781424509	BHUSDZJUZYFYLC-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
O=C(NN=Cc1c(-c2ccccc2)[nH]c2ccccc12)C(F)F	782236213	XUHAJMCIJNXJPC-UHFFFAOYSA-N	313.307	3.550	50	20	DHGD	
CC[C@H]1CCC[C@H](C=NNC(=O)COCc2ccccc2)C1	783844853	FJEHDZWQXXHGEB-RDJZCZTQSA-N	302.418	3.522	50	20	DHGD	
CSSCCNC(=O)NC[C@@H](c1ccccc1)C(C)C	790671686	UMNDDWNNARXLMJ-CQSZACIVSA-N	312.504	3.737	50	20	DHGD	
COc1c(C)cc(C(C)=NNC(=O)c2ccc(C)o2)cc1Cl	794915849	RMOXTBIEOVZIAE-UHFFFAOYSA-N	320.776	3.712	50	20	DHGD	
CCCN(N=C(C)c1ccc(C(=O)O)cc1)C(=O)OC(C)(C)C	794993350	XIMWUEHWSOVVCH-UHFFFAOYSA-N	320.389	3.756	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cn1ccc2ccccc21	799757142	WIOXMBRLLZBJDF-UHFFFAOYSA-N	307.397	3.655	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)Nc1ccccc1)C1CCC(C)CC1	801989656	XWYVBSXUGSFHTD-ZBCRRDGASA-N	317.433	3.692	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(c2cccc(OC)c2)CC1	803360125	BCPKZCAGJOZGSI-UHFFFAOYSA-N	324.424	3.741	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H]1CCC[C@@H](C)C1	805374755	QHHRBVSVHPUDQE-YPMHNXCESA-N	305.378	3.563	50	20	DHGD	
N#CCCCCCC(=O)NNc1cc(Cl)ccc1Cl	806982614	NAHCVNDDQOJHFA-UHFFFAOYSA-N	300.189	3.911	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@]1(C)Cc1ccccc1	807232152	VCWSYLUIHOWYFH-INIZCTEOSA-N	324.515	3.804	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1c2c(cc3c1CCC3)CCC2	810319717	KEPGPPCJQHKROS-UHFFFAOYSA-N	322.412	3.516	50	20	DHGD	
CC[C@@H](NCc1ccc(OCCCCl)cc1)[C@@H]1CCCO1	811485505	NYGXVHDDNYMXIR-SJORKVTESA-N	311.853	3.742	50	20	DHGD	
CC(CCCO)=NNC(=O)Nc1ccc(-c2ccccc2)cc1	814856093	AVKXQCSRJFBMQP-UHFFFAOYSA-N	311.385	3.624	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cnc(C)s1	815005734	SPSPSUHUYLLVJB-UHFFFAOYSA-N	308.794	3.651	50	20	DHGD	
CCOc1ccc(NNC(=O)c2scc(C)c2Cl)cc1	817899121	IFNWADQOXOHRGW-UHFFFAOYSA-N	310.806	3.866	50	20	DHGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1cccc(Br)c1	824209674	VBBREYXZYFPVBX-ZWNOBZJWSA-N	311.223	3.719	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)C[C@H]1C	826800419	UWPAHWDOSWYDNQ-HLTSFMKQSA-N	321.368	3.677	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1nnc(C(C)(C)C)s1	836936360	KUGBLDMFKVUFEL-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
CC(=O)c1ncc(C(=O)NNc2c(C)cccc2C(C)C)s1	839773242	DTEKPSWOOOWPRT-UHFFFAOYSA-N	317.414	3.534	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc2cnccc2o1)C1CCCCC1	844275251	VBCLCOICYYBKAT-UKTHLTGXSA-N	309.369	3.526	50	20	DHGD	
CC1(C)C[C@]1(C(=O)NNc1cccnc1Cl)c1ccccc1	854930301	UVKVDMYOLKKZOZ-QGZVFWFLSA-N	315.804	3.546	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ccc(Cl)cn2)cc1	856092845	INADOCLSXPVDFB-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
C=C[C@H](CC(=O)NC[C@]1(C)C[C@@H]1Br)c1ccccc1	857396207	ZLJPTCUYWARSCA-INWMFGNUSA-N	322.246	3.636	50	20	DHGD	
C[C@@H](NNC(=O)c1cc2c(s1)CCCCCC2)C(F)(F)F	862305959	ZRYUEODSKNGGAB-SECBINFHSA-N	320.380	3.592	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)CCC(C)C)cc1	904158881	FIVPSZARVDQMBD-UHVIJJLKSA-N	314.429	3.933	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	915844634	UGAUBYIOAMGPHC-BENRWUELSA-N	312.756	3.809	50	20	DHGD	
N#CC1=CCN(C(=O)c2nc(-c3ccccc3)oc2C2CC2)CC1	1319941149	ZKFZNZVGSOUDAZ-UHFFFAOYSA-N	319.364	3.515	50	20	DHGD	
c1cncc(-c2nnc(CCCC[C@H]3CCSS3)o2)c1	1327874928	XDWCJVSPZWKPHI-LBPRGKRZSA-N	307.444	3.998	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(C(=O)O)c(Cl)c1	1603320326	AXSXCPYEXLMNMK-IZZDOVSWSA-N	305.761	3.950	50	20	DHGD	
CCN(CC)CCC[C@H](C)NC(=O)c1cccc(CCl)c1	36930063	IGGWPOJOQRFHTJ-AWEZNQCLSA-N	310.869	3.666	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C)c2)cc1	78494119	JNFRKVFOLZAPNP-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2cccnc2Cl)cc1	128630247	VVIGQLOZDUBFJP-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
Cc1c(C(=O)NNc2ccncc2Cl)oc2ccccc12	154674444	ZIKKPKQQRMORGB-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
O=C(Cc1coc2cc3c(cc12)CCC3)NNc1cccc(F)c1	178931117	PWTWOPQBIFQHNK-UHFFFAOYSA-N	324.355	3.746	50	20	DHGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1ccccn1	181185437	LSIRRVQANJXCAL-UHFFFAOYSA-N	317.348	3.667	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC1Cc2ccccc2C1	186792798	HXFZODKVVAQNQI-MRXNPFEDSA-N	321.511	3.984	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc2ccccc2s1	192098380	IKLWJFONZHUOFS-UVTDQMKNSA-N	305.424	3.981	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)c1	195662086	WMKJKSOWNICRQA-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccccc2C)c1OC	212128507	YBGYHPRENAVHGE-PTNGSMBKSA-N	307.349	3.802	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1cc(Cl)ccc1Cl	252625000	QATJZDBMVCWBKN-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)c1ccsc1	255843678	SVLKFDOARSGJAL-XFFZJAGNSA-N	313.769	3.839	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccn1	263768742	SSCMQKAMKDTCTG-QWHCGFSZSA-N	310.488	3.973	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	275689566	PGCHYNPVSAMDPP-WOJGMQOQSA-N	317.392	3.930	50	20	DHGD	
CCc1onc(-c2ccccc2)c1C(=O)NCCSSC	283924757	DXWPLXUHBRJZOM-UHFFFAOYSA-N	322.455	3.645	50	20	DHGD	
CCCCCCCCC(=O)NNc1cccc(NC(C)=O)c1	294047291	XYQFXVZPZQRBBH-UHFFFAOYSA-N	305.422	3.839	50	20	DHGD	
C[C@@H](Br)c1cccnc1NC(=O)OC(C)(C)C	536960817	ZOVKVGOIYNIQLE-MRVPVSSYSA-N	301.184	3.885	50	20	DHGD	
COc1ccc(NNC(=O)CCCc2c[nH]c3ccccc23)cc1	729273564	XEHWLSKLBCXRQY-UHFFFAOYSA-N	323.396	3.643	50	20	DHGD	
CCOc1ccccc1C=NNC(=O)C(C)(C)c1ccccc1	731150761	MBDVXMGEVFNTJH-UHFFFAOYSA-N	310.397	3.513	50	20	DHGD	
CCCCNC(=O)NN=Cc1cnc(-c2ccc(C)cc2)s1	734296484	SXTSGWAUEICJQR-UHFFFAOYSA-N	316.430	3.552	50	20	DHGD	
CCC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCOCC1	745194548	VKBKSTMUVLZMSS-UHFFFAOYSA-N	318.461	3.512	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1	747825289	ZXVPVHJPJVYLRH-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)SCc1ccccc1	748570795	MYLPAKPVISDETB-CYBMUJFWSA-N	318.417	3.899	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl	753692070	YQXMWLBMLKOLJK-UHFFFAOYSA-N	306.715	3.855	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc([C@H]3CCOC3)c2)c(C)c1	762003731	QOHATPNLJMSXKB-SFHVURJKSA-N	324.424	3.873	50	20	DHGD	
N#C/C=C/COc1ccc(Br)cc1Br	763301379	PMDXPTARDALZTJ-OWOJBTEDSA-N	316.980	3.670	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2cccc(Cl)c2)c(C)c1	773211392	ANZBKFQSNBFULZ-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	776488957	UPADRHCBYWPSJK-IUCAKERBSA-N	304.287	3.724	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1cnn(C(C)C)c1C	787158256	SJYPDYSNWIMQKW-UHFFFAOYSA-N	324.384	3.673	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2ncccc2C)c(Cl)c1	792205770	XZPJGVIIGIRRGI-UHFFFAOYSA-N	304.781	3.809	50	20	DHGD	
CO[C@]1(C)CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	792504330	IDWXWQRERXMWCK-UKRRQHHQSA-N	317.520	3.728	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(NC(C)C)nc1	799754383	HDVKOJCMEALTOH-UHFFFAOYSA-N	312.417	3.530	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1F	799889992	YDYMHOLYCZXVEY-XNTDXEJSSA-N	324.355	3.997	50	20	DHGD	
CCN1CC[C@H](N(C)CCO[Si](C)(C)C(C)(C)C)C[C@H]1C	808732127	BXXTVMPKXWJBSF-CVEARBPZSA-N	314.590	3.813	50	20	DHGD	
CC(C)(CC(=O)NNc1cccc(Br)c1)C1CC1	815851302	YZIUXLAFBAIJAY-UHFFFAOYSA-N	311.223	3.719	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CC1(Cl)Cl	838341956	POHMXPCKECIIIJ-RXMQYKEDSA-N	313.999	3.630	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2(C)CC=CC2)c1C	847157898	SOXAERPYFBTNBQ-ATVHPVEESA-N	311.429	3.647	50	20	DHGD	
Cc1c(C(=O)N(C)CC(Cl)Cl)cnn1C1CCCCC1	848082337	FJEKVATXLHNMQB-UHFFFAOYSA-N	318.248	3.572	50	20	DHGD	
Cc1cc(C)c2c(c1)C/C(=C/c1cnn(CCCl)c1)C2=O	848643504	ZEGOICFGLFSYSS-CHHVJCJISA-N	300.789	3.561	50	20	DHGD	
COc1ccc(C=O)cc1OCCO[Si](C)(C)C(C)(C)C	853636796	JVCXPOSSYIGBHB-UHFFFAOYSA-N	310.466	3.908	50	20	DHGD	
CN(C)C(=O)c1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1	853652472	MUZOHNGAWWKFED-UHFFFAOYSA-N	323.509	3.789	50	20	DHGD	
C[C@@H](NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)C(F)(F)F	862306253	HOBWVWLZRVXMKH-MUNWXOLDSA-N	318.383	3.555	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2F)ccn1C(C)C	885107045	QRVYFPJTDWOYLO-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
Cc1nn(C)c(/C=C(/C#N)c2nc(C3CC3)cs2)c1Cl	901523106	CMPQIXYOTZLAJD-YHYXMXQVSA-N	304.806	3.780	50	20	DHGD	
CN(Cc1cc2ccccc2o1)C(=O)[C@@]1(C)C[C@@H]1Br	906880538	DDPSNOLKZFSTEO-ZFWWWQNUSA-N	322.202	3.565	50	20	DHGD	
CC(/C=C(/C#N)C(=O)NCCc1ccccc1)=C\c1ccccc1	915844212	JRLTUVSTTWPKAB-BJOFFIMRSA-N	316.404	3.899	50	20	DHGD	
CC(C)(C)[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	916518046	FOVNJPSIIIGJLU-KRWDZBQOSA-N	322.412	3.972	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)o1	1777477209	JMKAMTOPHYXNOQ-LGXSBLIVSA-N	313.334	3.537	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1cccc(F)c1	39175829	VVGOPOQALFNMDC-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
Cc1cccc(NNC(=O)c2oc(-c3ccccc3)nc2C)c1	80001772	MKTYRNKRDXRBJC-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1cccnc1Cl	85683595	BELFDROEDVBIQN-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1ccc(Cl)cc1	120364538	TZGXAEJKIQLPFR-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)c1	124817818	YJJPZBFLSCUDHV-NVNXTCNLSA-N	322.320	3.707	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1OC	125474313	HNVKKHOYWUNPKB-LQELWAHVSA-N	317.385	3.625	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2cccc(C#N)c2)cc1	152290491	PKBCUNDMQJJZCS-UHFFFAOYSA-N	307.397	3.542	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(F)c1)c1ccc(F)cc1F	152768169	MHIPPSMAFCTFRG-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NNc1cccc(F)c1	154358661	SKPHPHFLUWPMPM-UHFFFAOYSA-N	310.781	3.715	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Cl)s1	155859698	WRPBNKIVZLSSFN-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1csc(C(C)(C)C)n1	160860487	QXAWUUWHKYRRPX-UHFFFAOYSA-N	321.421	3.574	50	20	DHGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@H]1CCSC1	162534051	SMMUOSGEUUEKCY-NWDGAFQWSA-N	305.534	3.664	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OCCOC)c1	172692256	SOXKVZRBSCHAKE-LUYJPIOASA-N	301.386	3.624	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H](C)Sc2ccccc2Cl)c1	176759661	XJQJWWSXEPHBHR-NSHDSACASA-N	321.833	3.667	50	20	DHGD	
O=C(Cc1ccc(-c2ccccc2)cc1)NNc1ccnc(F)c1	182512939	WWDXCNXZRKFAIR-UHFFFAOYSA-N	321.355	3.574	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)c3cnc4ccccc4n3)ccc21	191360754	IOUUBWWPWZYDGW-LFIBNONCSA-N	312.376	3.686	50	20	DHGD	
N#C/C(=C\c1cncs1)c1nc2ccccc2n1C(F)F	255265573	DIFSSUHEFHQPEB-WEVVVXLNSA-N	302.309	3.952	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)nn2C)cc1	491163969	ZAGDBZXIOUKIQO-VBKFSLOCSA-N	322.412	3.617	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](c2ccncc2)C1	616612576	PGJQVLUOGOPKNO-INIZCTEOSA-N	306.526	3.893	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)CC(C)(C)C)cc1OCC	728430466	AKLWPWONUIWBFW-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1sccc1C	733747148	GWSMTCGSXFBJEB-UHFFFAOYSA-N	300.427	3.920	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc(Cl)cc1F	734249511	DPVOVFSAWJSHEI-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2cc(F)c(F)cc2F)cc1	734552306	PEEKXRUXHUWANP-UHFFFAOYSA-N	322.330	3.742	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C1CCC[C@@H](CC)C1	734977145	FWIKSDULVFORSZ-CQSZACIVSA-N	318.417	3.537	50	20	DHGD	
CCC(=NNC(=O)CCc1ccccc1)c1cc(F)ccc1F	743437192	COJSXQXEXQGYCF-UHFFFAOYSA-N	316.351	3.828	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@@H]2C)c1C	752391381	VVZPLVFRIXDCPA-URPPZRDFSA-N	313.445	3.679	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2C[C@@H](C)c3c(C)cccc32)nc(C)n1	754247943	OYSBETIGUBFLJT-DOMZBBRYSA-N	324.428	3.526	50	20	DHGD	
CCC(=CC(=O)NNC(=O)Nc1ccc(C)cc1Cl)CC	759491426	YTNGLOKILUUTIK-UHFFFAOYSA-N	309.797	3.548	50	20	DHGD	
CCC(=NNC(=O)c1ccc(N)cc1)c1cccc(Cl)c1F	763408882	SDZFSPLXSVESIJ-UHFFFAOYSA-N	319.767	3.605	50	20	DHGD	
O=C(NN=Cc1cnc(C2CCCC2)s1)NC1CCCCC1	767754935	RYSAIHLLLASHNU-UHFFFAOYSA-N	320.462	3.767	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1cc(Cl)ccc1F	770100994	SJPSVVXHVMLSME-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
C#CCN(C[C@H](C)CBr)[C@@H]1CCc2ccccc21	770648167	OVEJIJZDWZVXPH-CZUORRHYSA-N	306.247	3.640	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2c(C)cccc2F)c(C)c1	771698143	YUSUDIFAYVQQFK-UHFFFAOYSA-N	300.377	3.827	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1ccccc1C(F)(F)F	773214283	SZMTXEKPNJUDBM-VIFPVBQESA-N	306.353	3.680	50	20	DHGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@H]1C	777871188	YPAQWENEYZZRFP-MLCDBFSUSA-N	300.377	3.736	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2ccc(F)cc2C)cc1	778932027	KJLWZGNCSLHLNB-CQSZACIVSA-N	300.377	3.764	50	20	DHGD	
C#CCCCCCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780603462	GKVMWLPTJFJATG-UHFFFAOYSA-N	323.318	3.604	50	20	DHGD	
CC[C@@H](CSC)NC(=O)NNc1ccc(C(C)(C)C)cc1	780843413	QNTLKUCIUKNOGB-ZDUSSCGKSA-N	309.479	3.752	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1C1CCCC1	781078766	MUBWOPHYLLYGCX-OLZOCXBDSA-N	316.283	3.977	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCSC1	790581177	QVSNQLOPLMNAHA-RYUDHWBXSA-N	305.534	3.570	50	20	DHGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C1CCC12CCC2	799887312	STVYFHDNBZAJTN-LLVKDONJSA-N	306.793	3.544	50	20	DHGD	
COCC1(C)CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808743145	UENNNMNAMMWUIV-UHFFFAOYSA-N	301.547	3.757	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(C)c2Cl)cc1C	809146010	KNBYGHLRQDEAMZ-RIYZIHGNSA-N	313.788	3.789	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCC1CCOCC1	812765935	ZXCFFLIKHJDPSM-UHFFFAOYSA-N	304.434	3.768	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)c1cccnc1	813029389	BCWUHEBQIXKUPL-CQSZACIVSA-N	312.417	3.901	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2ccc(Cl)cc2)cc1	814999933	QKEMAVHLGPEPCL-UHFFFAOYSA-N	317.776	3.894	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3ccccc3cc2O)cc1	817915736	SBRKJZULPCKLQX-UHFFFAOYSA-N	322.364	3.701	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccc(Cl)cn2)s1	825662294	YKJPRBRMCCDELG-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
Cc1cc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)ccn1	838643108	YHIPJFNMJKIVSD-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)c2nc(C3CC3)cs2)oc1C	843265490	OBAMFJCBXARIKS-WZUFQYTHSA-N	314.366	3.773	50	20	DHGD	
Cn1cncc1CN1CCCC[C@H]1CO[Si](C)(C)C(C)(C)C	844348860	GBGLKODUEGQXIQ-HNNXBMFYSA-N	323.557	3.796	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)CCc1ccccc1O	853304637	UYDYUEKZPPVPEN-AWEZNQCLSA-N	300.402	3.563	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ncncc2Cl)C1	853897598	MWYJBUXZZIZKJV-LLVKDONJSA-N	313.905	3.731	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc2c(c1)COC2	857082127	LODJRXGADNGMLF-NZVBXONLSA-N	310.235	3.541	50	20	DHGD	
CC[C@](C)(CC(=O)O)C(=O)Nc1c(C)cc(SC#N)cc1C	872833770	YSPCXRJAYLRSNW-MRXNPFEDSA-N	320.414	3.706	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccccc1N1CCCCC1	877941500	ICHHAQPEEXFPIM-UHFFFAOYSA-N	316.232	3.602	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc2oncc2c1)C1CCCCC1	905074871	ZFTAKWBWJMSXMW-NTEUORMPSA-N	309.369	3.526	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1ccc(OC(F)(F)F)cc1	915960619	LVWWMSAVGRTZOV-UHFFFAOYSA-N	314.307	3.616	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cc(C)c(C)cc2C)c1	916296039	NOJFOZQQBKDCFU-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CCCC[C@@H]2C)cc1	916337209	DCFWLDYNTRDDFV-KBPBESRZSA-N	318.417	3.535	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)C)c1C	919872543	JZFHGQVMSUDIMK-YBEGLDIGSA-N	301.434	3.584	50	20	DHGD	
CO[C@@H]1Cc2ccc(NC(=O)c3cccc(CCl)c3)cc2C1	1120633605	SBKKXZUCVIJNRM-QGZVFWFLSA-N	315.800	3.791	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2cccc(Cl)c2Cl)CCO1	1336519440	FWSWFIUNBQIRPR-VIFPVBQESA-N	317.216	3.642	50	20	DHGD	
CCC[C@]1(COC)CCCN1C(=O)C1CCC(Cl)CC1	1521520010	VWBNRSWMKYCLBM-ZBCRRDGASA-N	301.858	3.592	50	20	DHGD	
N#C/C(=C/c1csc(C(=O)O)c1)c1nc(C2CC2)cs1	1601045774	JJJOLQKYXKCCBM-KMKOMSMNSA-N	302.380	3.844	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1c(OC)ccc2ccccc12	7165714	WAKJPKHBVQTVQQ-NTCAYCPXSA-N	308.381	3.672	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cn1	119396328	WWYUYYQRTOPDBC-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1cscc1NC(=O)NNc1ncc(Cl)cc1Cl	119881506	LCTXOVPOUTWMSU-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cnc(C2CCCC2)s1	128723699	LTXLJTYHORTFNY-UKTHLTGXSA-N	303.431	3.624	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ncc(Cl)cc2Cl)C1	132897191	AGNYUPIDEWKCMM-IUCAKERBSA-N	302.205	3.658	50	20	DHGD	
COc1ccccc1C/C(C)=C\C(=O)NNc1cccc(C)c1	255011698	QJYZETSQIGMTMH-SQFISAMPSA-N	310.397	3.636	50	20	DHGD	
Cc1ccccc1-n1c(C)cc(C(=O)N2CC=C(C#N)CC2)c1C	270926559	DNFWWHVFLVOALT-UHFFFAOYSA-N	319.408	3.698	50	20	DHGD	
COc1ccc2nc(C=NN(C)C(=O)OC(C)(C)C)sc2c1	492725050	PYGGYHXHVJGSHD-UHFFFAOYSA-N	321.402	3.506	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@@H]2C)c1C	729661593	JVKSGAUSMVJGET-MKSIVCOJSA-N	313.445	3.727	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2ncccc2Cl)cc1	734246595	IZBCSLPZQZNNAS-UHFFFAOYSA-N	317.820	3.934	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2C)cc1	734304831	XPGJPSGUTOIEEX-LICLKQGHSA-N	308.356	3.666	50	20	DHGD	
O=C(CSc1ccccc1)NNc1cccc2c1CCCC2	748573867	NZOUXPRDRLNGJX-UHFFFAOYSA-N	312.438	3.801	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Br)ccc2C)cc1	749194330	WXUCTURVKOFXDL-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
COc1cc(C2(C(=O)NN(C)c3ccccc3)CCC2)ccc1C	749530840	QVXFSFPNRFODPC-UHFFFAOYSA-N	324.424	3.593	50	20	DHGD	
Cc1ccc(C)c(COC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	750662327	JYPYRQJRLPAWBZ-MHWRWJLKSA-N	307.349	3.659	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)[C@@H](CC2CCCCC2)C(C)C)o1	752779495	LPYZJBQEAVKWGM-HNNXBMFYSA-N	320.433	3.592	50	20	DHGD	
O=C(NCc1ccc(C2CCC2)cc1)NNc1ccc(F)cc1	756033203	WEIVWKGCSMFFCA-UHFFFAOYSA-N	313.376	3.920	50	20	DHGD	
CCN(Cc1ccc2c(c1)OCO2)/C(=C/C#N)c1ccc(F)cc1	764185821	DBODJBFTYKTYHS-RQZCQDPDSA-N	324.355	3.941	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc2c1OCO2	764892360	WKMXTQFMLIRUSI-VIZOYTHASA-N	321.332	3.522	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cc2ccccc2[nH]1	767919510	GWEULDUHAYJAKX-ZDUSSCGKSA-N	323.234	3.594	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(Cl)cc1	768717410	YCTXOIVINCHCDQ-DOMZBBRYSA-N	310.825	3.769	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2cccc(C#N)c2)c(C)c1	769975660	JBTNKRVJPCQBTI-UHFFFAOYSA-N	324.384	3.804	50	20	DHGD	
C[C@H](CBr)COC(=O)c1coc(-c2ccccc2)n1	770383202	ROPWCKZLEDCJNL-SNVBAGLBSA-N	324.174	3.529	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)C(C)(C)c1ccccc1	775728432	UISUPKJWXFKQOM-OAHLLOKOSA-N	318.461	3.718	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1sccc1C1CC1	777464560	RWPBRQICELIXOG-UHFFFAOYSA-N	309.394	3.931	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc3c(c2)-c2ccccc2C3)CC1	780686946	QNHJZTFXVZBSKW-UHFFFAOYSA-N	300.361	3.554	50	20	DHGD	
CCOc1ccccc1C(=O)NNc1ccc(Cl)c(OC)c1	790170061	HIALSUNDNPVTGI-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
CC(C)=CCNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	791010115	DSPVPANHTCMWBE-VCHYOVAHSA-N	313.445	3.750	50	20	DHGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)c1ccc2ncccc2c1	794885665	VEPVKGOFYMYGKY-VCHYOVAHSA-N	309.328	3.896	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)C1CCOCC1	794957143	CRRSGPRXCLACNG-VBKFSLOCSA-N	307.349	3.849	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	798114428	KIYXOUOITQSUDI-LSDHHAIUSA-N	319.767	3.661	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1ccoc1	798229392	AKMWVGVPINBPAA-VGOFMYFVSA-N	323.739	3.909	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCCCN1CCCC1	800108396	ALTPFYORCLFMRY-AWEZNQCLSA-N	317.520	3.730	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)c1ccsc1	802386072	DGXGDBJXRPBJHT-ZETCQYMHSA-N	315.320	3.553	50	20	DHGD	
CC(C)Sc1ccccc1NC(=O)NNc1cccc(F)n1	806350569	WOJDDOLNAYTWJW-UHFFFAOYSA-N	320.393	3.870	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC([C@@H]2CCOC2)CC1	808746906	ZMHMYDVFBDVNMV-MRXNPFEDSA-N	313.558	3.757	50	20	DHGD	
Cc1cccc(NNC(=O)c2nc3ccccc3cc2Cl)c1	810044312	SJXJCUFNMDJSAT-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)CC=CCC1	831777967	HMTAVIKJTPAMOM-HNNXBMFYSA-N	323.318	3.767	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCc2ccccn2)C1	852522810	PXAZEMBMIMUSMB-MRXNPFEDSA-N	306.526	3.720	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1cc(OC)cc(OC)c1	853270556	BAXARVCWLIFKIS-ZDUSSCGKSA-N	316.401	3.556	50	20	DHGD	
N#C/C(=C/c1csc(C(F)(F)F)c1)C(=O)NC1CCCC1	863180967	DOTUAOABTBPCQA-YHYXMXQVSA-N	314.332	3.733	50	20	DHGD	
CN(C(=O)CCCC[C@H]1CCSS1)c1ccc(N)cc1	877081146	VPBLSIYNFZYKRK-AWEZNQCLSA-N	310.488	3.946	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1ccncc1	916369326	AHEXCWWWAFLEBX-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)n1C	1317732260	OHIQKSXHUUJXJP-AWEZNQCLSA-N	312.504	3.664	50	20	DHGD	
CCCN(N=Cc1ccc(F)c(OC)c1)C(=O)OC(C)(C)C	1321860131	GJIGWUDHWSOLIA-UHFFFAOYSA-N	310.369	3.815	50	20	DHGD	
O=C(Nc1nc(-c2ccncc2)cs1)C1CCC(Cl)CC1	1548762514	SDTQVLIACYEIEP-UHFFFAOYSA-N	321.833	3.941	50	20	DHGD	
O=C(O)[C@@H](CF)NCc1cccc(S(F)(F)(F)(F)F)c1	1608534118	QRNPTAYENKFAME-SECBINFHSA-N	323.258	3.856	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	1776036017	VZJNKYPLXOYXQI-CYBMUJFWSA-N	324.380	3.548	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)co2)cc1Cl	1777433644	PPMMVPCZPRRQRD-NYYWCZLTSA-N	315.712	3.730	50	20	DHGD	
CCCCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	29557537	JPBMCFHAWSSBGT-UHFFFAOYSA-N	322.474	3.748	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cc(C3CC3)nc3ccccc23)c1	88423352	NWHWEEYZULTLPU-UHFFFAOYSA-N	318.380	3.573	50	20	DHGD	
O=C(NNc1ccc(Br)cc1F)Nc1ccccc1	103174829	ZMATUPBXNAHMIE-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CC1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCCCC1	124524505	DYEXMRBUSUGPMR-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1ccc(OC(F)(F)F)cc1	134265631	UXAHAYXMOVHFKP-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)c1	176777792	JHHBAMZDNXMOTA-CYBMUJFWSA-N	323.318	3.569	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1C	207696933	JSNJLSRKEJSOGD-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CC(=O)c3ccccc32)cc1	276878184	MHBJPVWMTQGDPZ-KRWDZBQOSA-N	322.408	3.797	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	588597213	BIBZXVVAFNSNIY-LFIBNONCSA-N	305.308	3.628	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)OC(C)(C)C	733252352	PPXPYORDFMAFFT-CQSZACIVSA-N	312.454	3.929	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ncc(C(C)(C)C)o2)cc1	733396670	ZQNWYUZGGWFHCW-OQLLNIDSSA-N	324.380	3.931	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2nccc3sccc23)C1	734250149	OLEOQFYBWODAJG-NWDGAFQWSA-N	303.431	3.956	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(F)cc2C)c(Cl)c1	748562464	QPTMAIHQOKVKCS-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCS[C@@H]1CCC[C@H](NC(=O)NNc2ccc(F)cc2)C1	748967955	LNOCYFFRSOUMMZ-UONOGXRCSA-N	311.426	3.516	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCN(C)c3ccccc32)c(C)c1	750787721	IVUQOYKXQONMDW-QGZVFWFLSA-N	323.440	3.679	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C[C@@H]1C	767388727	VYHPGFOYSBDDHW-QWRGUYRKSA-N	316.430	3.680	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@@H](C)OC1CCCCCC1	770405498	KEBQBQGQTOPPRM-NWDGAFQWSA-N	321.255	3.689	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@]1(C)CCc2ccccc2C1	771702437	ZTCJPOIOAFAGHJ-IBGZPJMESA-N	312.388	3.772	50	20	DHGD	
N#C/C(=C\c1cscc1Cl)C(=O)c1ccc2c(c1)OCO2	771836627	CZDONNZOBGUGRI-XCVCLJGOSA-N	317.753	3.920	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2C)cc1C	778237082	WRWZCZJYKMZXDK-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCC[C@H]1CCC1CCCC1	780815136	QUFHCZREZPOKES-HNNXBMFYSA-N	321.914	3.770	50	20	DHGD	
CO[C@@]1(C(F)(F)F)CCCN(/C(=C/C#N)c2ccccc2)C1	781984714	JXRSZTAUQUIGRQ-NHXNDTTKSA-N	310.319	3.594	50	20	DHGD	
C[C@@H](CCSc1ccccc1)OC(=O)/C(C#N)=C/C1CC1	786679113	JXSGOLJSRDZZPE-JMRXEAOASA-N	301.411	3.960	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(C2CCC2)cc1	792360123	RDCPOJICEVWVCC-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)CNc1ccccc1)c1ccccc1	794462681	CGNVQTFWGUAMKN-GOSISDBHSA-N	309.413	3.640	50	20	DHGD	
C[C@H](C1CCCCC1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	801582064	RDSNEIFCDJLKNS-MTOJCTJASA-N	312.413	3.726	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(F)c(C#N)c2)cc1	803085358	MRBAVODSRMWJFJ-UHFFFAOYSA-N	311.360	3.752	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(Br)cc2)cs1	806553541	RDJXVOADOOZCCD-FLIBITNWSA-N	320.215	3.786	50	20	DHGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NN(C)c1ccccc1	809984370	HBHVYLJPMRJGNZ-SEYXRHQNSA-N	300.789	3.911	50	20	DHGD	
CC(C)(C)c1ccc2[nH]cc(C=NNC(=O)c3ccc[nH]3)c2c1	811636912	PTSFNODBSMXKID-UHFFFAOYSA-N	308.385	3.557	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc2ccccc2c1O	825330695	BAABQFGASWXGBF-UHFFFAOYSA-N	312.756	3.956	50	20	DHGD	
CC[C@@H](C)[C@@H](C=NNC(=O)c1c(Cl)cccc1Cl)OC	834953838	OBZARFWFRQLPCQ-BXKDBHETSA-N	317.216	3.770	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c(Cl)c1	836937836	OKYXETUQTIXLDN-CZUORRHYSA-N	324.852	3.933	50	20	DHGD	
C=CCC1(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CCCCC1	836956646	JHZNIPJIWJZWEE-DTQAZKPQSA-N	310.397	3.694	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1	840732913	JEYGSJZVLYQFGH-RVDMUPIBSA-N	322.412	3.694	50	20	DHGD	
COc1cccc([C@H](C)NC[C@H](CBr)C2CC2)c1	859227116	YUZMTHLJGNZIEF-FZMZJTMJSA-N	312.251	3.767	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cc(C(C)(C)C)on1	885124963	GMZGCQZALDVTIA-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(F)cc1Cl)c1ccccn1	885136843	JMVCVXFCKKVOCT-LBPRGKRZSA-N	321.783	3.901	50	20	DHGD	
CC(=O)N(c1ccc(NC[C@@H]2[C@H](C)[C@@H]2Cl)cc1)[C@@H]1C[C@H]1C	894645581	NZWXLKPUOUQFSE-HECGWKFCSA-N	306.837	3.733	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc(F)cc1	916345569	GQWZCNVQFMOOQD-UHFFFAOYSA-N	316.401	3.767	50	20	DHGD	
CCCCCCC(C)=NNC(=O)CNc1cccc(OC)c1	917573882	XVZIXCQWGHVUNN-UHFFFAOYSA-N	305.422	3.570	50	20	DHGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)C(=O)c1ccccc1	920755852	SBLSTULELIINSN-JYRVWZFOSA-N	307.740	3.778	50	20	DHGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3cc(C)ccc3C)c2c1	1319598042	YDXMZGNSFWZBNN-UHFFFAOYSA-N	323.396	3.859	50	20	DHGD	
CSc1ccc(O[C@H](C)C(=O)NNc2cccc(C)c2)cc1	77612804	VDPWVPGLMICQQF-CYBMUJFWSA-N	316.426	3.628	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnn(CCC(C)C)c2C)c1	118958517	GEOBKTWYMSRLAV-UHFFFAOYSA-N	314.433	3.611	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2c(C)[nH]c3ccccc23)c1	122637711	LORUKQRPYXRNPJ-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2c[nH]c3ccccc23)c1	127605599	LBOAVKRUWBLBTN-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
COc1ccc(C[C@H](C)C(=O)NNc2cccc(Cl)c2)cc1	129228633	AJTYFBCUNFYARK-LBPRGKRZSA-N	318.804	3.671	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccc(F)cc3)c2)cc1	134321154	KGENJASRYBWYCH-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2cc(C)ccc2F)cc1	161044099	XDGIXIJPFIKRQI-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(OC(F)F)cc1)C(C)C	163831281	WWDSBMAACSSOHX-ZDUSSCGKSA-N	300.349	3.803	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2cccc3c2CCCC3)CCO1	184261653	JOEZHUFPAHGCPH-CVEARBPZSA-N	316.445	3.604	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1SCCc2sccc21	184304079	DIUYPFQQUMCFTP-CQSZACIVSA-N	322.430	3.669	50	20	DHGD	
C[C@@H](O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	191931027	QOHJEPWMIUBRPH-SSDOTTSWSA-N	320.283	3.846	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccccc1OC(C)C	192095941	ZIDKPQGOYVFYDJ-RVDMUPIBSA-N	307.415	3.553	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC3(CCCC3)C2)cc1	254926525	RFSMGQUGJREPKS-LGMDPLHJSA-N	324.424	3.785	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CC=CCC2)c1C	255622378	HXTKOUXPLJKBPA-XUDLPTGHSA-N	311.429	3.647	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc([C@H]3CCOC3)c2)c1	270944075	WRZWDOAGFDZQGZ-KRWDZBQOSA-N	310.397	3.564	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(C(C)(C)C)cc2)o1	293407796	HEKNJQASOWGUKX-UHFFFAOYSA-N	315.417	3.990	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1cccc2c1CCCC2	295280685	IWHJCEWWGJWYMZ-UHFFFAOYSA-N	321.424	3.903	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	491010712	MQUUTCZGMKCVHX-YDRQLGOLSA-N	324.355	3.619	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)c1ccc(F)c(Cl)c1	588523873	DLWKVUNOEIAXCP-WZUFQYTHSA-N	304.683	3.803	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)CC(C)(C)C)cc1OC	728430958	JPNMWTHOQRIOQB-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cccc(Cl)c1)c1ccccc1	731931663	NCXAOZZAACOONX-INIZCTEOSA-N	300.789	3.984	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)c2cccc(OC(F)F)c2)C1	734979536	RQJIEIMVRSXTIY-NSHDSACASA-N	310.344	3.974	50	20	DHGD	
Cc1ccsc1C(Cc1ccccc1)=NNC(=O)C(C)C	735971004	UMYRGRMGUDAEER-UHFFFAOYSA-N	300.427	3.776	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1ccc(F)c(F)c1F	743332202	OCOAUFRYTGDOBW-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
CCc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1O	751367020	DURDECALWGSDAL-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CC1CC(NC(=O)NN(Cc2ccccc2)c2ccccc2)C1	753024341	VCXSVUKWFJMXRP-UHFFFAOYSA-N	309.413	3.706	50	20	DHGD	
CCCC1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CC1	754153248	FGUKQNKZZUBLOM-UHFFFAOYSA-N	304.287	3.868	50	20	DHGD	
Cc1csc(C(=O)NNc2ccccc2)c1Br	754175038	YAKASWHEGDXXSH-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CC[C@H]1CCCC1=NNC(=O)c1ccc(Br)s1	758372035	OLTOWBOUQSSKNJ-QMMMGPOBSA-N	315.236	3.807	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1cccc(Cl)c1	767026684	JMGCFZLCOKXHNA-IUODEOHRSA-N	310.825	3.769	50	20	DHGD	
O=C(CCCC(F)(F)F)NNc1ccccc1C(F)(F)F	770637777	VQQMAMNOXWDUMZ-UHFFFAOYSA-N	314.229	3.881	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cc(Cl)ccc2Cl)o1	772427781	QUPPENVLEJWHCU-UHFFFAOYSA-N	313.140	3.546	50	20	DHGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1cccc(C#N)c1	773481621	LBMBQXHMOBGVAL-UHFFFAOYSA-N	323.396	3.630	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CCC1	790803286	GLEPCCQDYOUNJY-UHFFFAOYSA-N	323.318	3.767	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC1CC(F)(F)C1	794607221	WVSQEYCXPKIIAF-NSHDSACASA-N	309.447	3.862	50	20	DHGD	
CC[C@@H](Cl)c1nc(=O)c2cc(F)c(Br)cc2[nH]1	794863203	UGUAMQGGIFDZGS-SSDOTTSWSA-N	319.561	3.515	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)C1CCOCC1	794951961	CGTZZOQDQSDHNT-UVTDQMKNSA-N	319.788	3.641	50	20	DHGD	
Cc1cc(OC(=O)OCC(F)(F)F)c(Cl)cc1[N+](=O)[O-]	796205886	SRVHXHDZWLCJMG-UHFFFAOYSA-N	313.615	3.634	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1nc(-c2ccccc2)no1	804362751	NJIRKIJLJQKGJS-UHFFFAOYSA-N	316.405	3.786	50	20	DHGD	
CO[C@]1(C)CCCN(Cc2ccc(OCCCCl)cc2)C1	811497823	FNFDFFNZQYYUKN-QGZVFWFLSA-N	311.853	3.695	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cn(C)nc2C(F)F)c1C	812242190	SMWBIOLGBSHAOK-KPKJPENVSA-N	315.323	3.764	50	20	DHGD	
O=C(NN=C1CCCc2occc21)c1ccc(Cl)cc1F	814862726	SKCHCLXWVPLESA-UHFFFAOYSA-N	306.724	3.543	50	20	DHGD	
COc1cc(NNC(=O)c2ccn(C(C)C)c2C)ccc1Cl	816524568	KDQYMEHXHGTSKN-UHFFFAOYSA-N	321.808	3.796	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816703740	RBLJXRCHCVJCFZ-UHFFFAOYSA-N	318.339	3.983	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H]2[C@@H](C=C(C)C)C2(C)C)cc1	817879872	RATFFYNJJGZFHT-HZPDHXFCSA-N	302.418	3.767	50	20	DHGD	
CCCC(=NNC(=O)c1cc(OC)cc(OC)c1)C1CCCC1	834925754	DGXIJALPBKNNEF-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1cc(F)ccc1Br	839879108	OZTJQDKZYJSCAW-DTWKUNHWSA-N	317.202	3.714	50	20	DHGD	
CCCCOCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378858	IPYIRXXWEZTQJI-UHFFFAOYSA-N	324.730	3.619	50	20	DHGD	
CCCn1nccc1/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C	853000482	BSMDTSJRDYMPGT-WJDWOHSUSA-N	322.412	3.764	50	20	DHGD	
CCC[C@H](OCC)C(=O)NNc1cc(Cl)cc(Cl)c1	861296710	DAARQPINNMFBMU-LBPRGKRZSA-N	305.205	3.642	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cc(Cl)ccc1F	871270953	BEDVVNVEONGCNV-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1cccnc1C	875845775	KIEAAQVKXRGJCD-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2ccccc2F)c(C)c1	914689202	PLYLPFASCCBAGC-UHFFFAOYSA-N	301.365	3.577	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccc(Cl)nc2)cc1	915973386	MDBIZUPOCCKHRF-UHFFFAOYSA-N	319.817	3.611	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C/C(C)=C/c2ccccc2)c1	916314526	IADHFZGJPQEHBW-DECIOEPMSA-N	324.380	3.523	50	20	DHGD	
Cc1ccccc1C=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	916353356	KXIUQVYKBYIVKA-LBPRGKRZSA-N	312.438	3.945	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1	921251192	DNIMJIFHEURIJB-UHFFFAOYSA-N	321.380	3.719	50	20	DHGD	
Cc1ccc(NNC(=O)CCCC2CCOCC2)cc1Cl	1325129830	GKYYNJORULVETN-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1)c1cccc(F)c1	120206437	DIIVLSUYCXPPKT-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(Cl)c(OC)cc1Cl	124656801	MDKPJAQEVNYZNR-YHYXMXQVSA-N	312.152	3.638	50	20	DHGD	
COCCC1(C(=O)NNc2ccc(Cl)cc2Cl)CCC1	151960329	QMRDZDGWGAUAQZ-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1C#N	173018046	BCRDDUWMMZPERQ-RIYZIHGNSA-N	308.362	3.727	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc2scnc2c1	179816890	FSQOQZFNMOTLHJ-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
O=C(NNc1ccncc1)c1ccccc1Nc1ccccc1	180508312	WWLISVPJZMDFHZ-UHFFFAOYSA-N	304.353	3.582	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc3ccccc3n2)cc1	181105318	SXIFCRKYAIUPMF-UHFFFAOYSA-N	323.421	3.779	50	20	DHGD	
CC(=NNC(=O)c1cc(C)n[nH]1)c1ccc(-c2ccccc2)cc1	252627021	RKHWYCLLGVXVTH-UHFFFAOYSA-N	318.380	3.539	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1	255125268	XLWZOGNCKWCFAS-GDNBJRDFSA-N	310.328	3.518	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1cccc2ccccc12	255283998	HUHIIYPAMGNHGD-AQTBWJFISA-N	322.408	3.678	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(C)n(CCOC)c1C	281164618	PKQFCSNHUOWGHL-LFIBNONCSA-N	302.418	3.664	50	20	DHGD	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490875490	IHFOCBINLWLQET-XDUBLRSXSA-N	324.355	3.658	50	20	DHGD	
N#C/C(=C/c1cc(F)ncc1F)C(=O)Nc1ccccc1Cl	490939173	GIPKIVIFUVCYOL-YHYXMXQVSA-N	319.698	3.559	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(=O)N2C	588507142	RFTUFWWVPUYTCV-LFIBNONCSA-N	310.397	3.508	50	20	DHGD	
CC[C@H](C)[C@@H](C)N(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	588515696	KRHRBGLRIILPQW-DWSHKFMRSA-N	312.413	3.725	50	20	DHGD	
CCCCCC1=CCCC1=NNC(=O)Cc1nc(C)cs1	725857805	SLJWRGNXOGDMFT-UHFFFAOYSA-N	305.447	3.767	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)c2cccc(C#N)c2)cc1	728785215	ZOAWNMUACQZRNQ-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(C)(c3ccccc3)C2)c(O)c1	729637878	WOMAFZLXQPVUDY-UHFFFAOYSA-N	308.381	3.538	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)C(C)(C)CCCc1ccccc1	732949270	HRDJBDUAEAPOAO-UHFFFAOYSA-N	320.433	3.591	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNC(=O)NC1CCCC1	733255702	AGTMEMLKSFJWID-HNNXBMFYSA-N	323.481	3.646	50	20	DHGD	
C[C@@H](C(=O)NNc1nccc2sccc12)c1ccccc1F	734248405	LZRVLNQUKIFBOH-SNVBAGLBSA-N	315.373	3.682	50	20	DHGD	
O=C(CCCOc1cccc(F)c1)NNc1ccc(Cl)cc1	749273308	JKNCDRPNRCBUCS-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)Cc3ccc(F)cc3)oc2cc1C	749809887	LUKCQXSIQLNPJR-UHFFFAOYSA-N	324.355	3.882	50	20	DHGD	
CC(C)NC(=O)NN=Cc1ccc(-c2cccc(F)c2)s1	750936583	VESGHYAPQRAVMU-UHFFFAOYSA-N	305.378	3.596	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1cc(Cl)ccc1F	753698007	RRHLHZBUVXJOOD-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
Cc1cc(Br)ccc1C=NNC(=O)CC(C)(C)C	759195243	NRWBLWPZUBAXTR-UHFFFAOYSA-N	311.223	3.644	50	20	DHGD	
CC[C@H](C[C@H](C)CO)NC(=O)CCCC[C@@H]1CCSS1	759561246	WUSQHTPWGWKWMM-BFHYXJOUSA-N	319.536	3.614	50	20	DHGD	
CC1(C)CCCCC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	764785925	MDNODGTVTDDTQU-UHFFFAOYSA-N	316.430	3.824	50	20	DHGD	
C[C@@H]1CCC[C@@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)C1	767028439	BOXUASNBMYZULT-IJLUTSLNSA-N	304.272	3.833	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1csc(C2CC2)n1	785366983	RAXXWZZZOUEYMB-ZSOIEALJSA-N	310.378	3.671	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3sccc3C)cn2c1	789125934	AIFFIKDEYJYTIW-QPEQYQDCSA-N	307.378	3.803	50	20	DHGD	
Cc1cc(C(=O)NNc2ncnc(Cl)c2C(C)C)sc1C	798142086	MBDKDNHWOQJBAD-UHFFFAOYSA-N	324.837	3.689	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1cc(C2CC2)no1	799348466	DPNDLOGPKNRXSR-UHFFFAOYSA-N	324.292	3.833	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc2c(c1)CCCC2=O	814888770	OWQDYRCPELWBLQ-UHFFFAOYSA-N	314.772	3.616	50	20	DHGD	
O=C(NN=CC[C@@H]1CCOC1)Nc1ccc(Cl)cc1Cl	814996537	RDEMCLMSCYZESZ-SECBINFHSA-N	316.188	3.527	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cccc(Cl)n2)o1	817005743	GUZMHXRTEJZXFL-JQWIXIFHSA-N	319.792	3.527	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C)n(C(C)C)n1	832322545	NCLYPUFLVIXDIT-UHFFFAOYSA-N	314.433	3.961	50	20	DHGD	
O=C(NN=C1CC[C@H](c2ccccc2)C1)OCC(F)(F)F	853428705	ROKAOGJRNPWYKU-NSHDSACASA-N	300.280	3.599	50	20	DHGD	
CC[C@H](NC[C@@H](CBr)C1CC1)c1nc(C)cs1	859247363	ULOSLEXKIWAEBZ-NEPJUHHUSA-N	317.296	3.913	50	20	DHGD	
C[C@@]1(CNCc2c(Cl)cncc2Cl)C[C@H]1Br	865637387	SYBMXJFJFMRZMR-MNOVXSKESA-N	324.049	3.652	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)OC1CCCCC1	867119828	KIXRLEJIXWWDPR-UHFFFAOYSA-N	316.313	3.991	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)CCCc1ccccn1	885125309	PAYNCRVBLQGYEY-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
O=C(NN=C1CCc2ccccc21)c1ccc2ccccc2c1	917547511	UJLQBVSKMTXBKN-UHFFFAOYSA-N	300.361	3.920	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)COc1ccccc1C#N	917572986	ZSDLCESFJISLRD-UHFFFAOYSA-N	315.417	3.790	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(-c2ccccc2)s1	1117760166	POQXFDQITBRILE-UHFFFAOYSA-N	300.210	3.949	50	20	DHGD	
N#C/C(=C/c1cscc1Cl)c1nc(N)c2ccccc2n1	1253303450	DVZHUJKCJKCGKO-UITAMQMPSA-N	312.785	3.991	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C2(Oc3ccccc3)CC2)cc1	1327609280	CBBQMAHKRHNXGN-UHFFFAOYSA-N	310.397	3.865	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC2(CCC2)[C@H]1c1ccncc1	1348887175	DBRMCHBOOISABO-UYSNPLJNSA-N	318.848	3.933	50	20	DHGD	
Cc1cccc2c(CCNC(=O)C3CCC(Cl)CC3)c[nH]c12	1521087328	CUQQLEMDEOTGDZ-UHFFFAOYSA-N	318.848	3.933	50	20	DHGD	
CCC(CC)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	20986859	WGQPBEKQETYQPJ-UHFFFAOYSA-N	323.611	3.530	50	20	DHGD	
Cn1nccc1/C=C(C#N)/C(O)=N/c1c(Cl)cccc1Cl	45110683	ZBFFJLRPQXTRLS-VQHVLOKHSA-N	321.167	3.922	50	20	DHGD	
N#C/C(=C\c1ccccc1OC1CCCC1)C(=O)N1CCCC1	63276201	ZBLWYNQMLZNWRX-DTQAZKPQSA-N	310.397	3.537	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cccc(-c3ccoc3)c2)c1	89866040	IWHQCIDFDWACDO-UHFFFAOYSA-N	303.321	3.575	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc2cc(Cl)ccc2[nH]1	118514738	OIUNXMXDSMTQGH-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
CC(C)n1cccc1C(=O)NNc1cccc(C(F)(F)F)c1	134505201	GLBHCRIWKNIGQB-UHFFFAOYSA-N	311.307	3.845	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccccc2Br)c1	153647218	GKMWJYGAHUYNSK-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)c(F)c1	175077879	SWDVLTRRPKCDPX-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)NCc1ccco1	176950475	OQAAFYQTNWHQMA-LCYFTJDESA-N	308.362	3.718	50	20	DHGD	
CC(C)(C)O[C@@H](C(=O)NNc1ccc(F)cc1)c1ccccc1	179122992	MERKRGHVHBLQIR-MRXNPFEDSA-N	316.376	3.825	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cccc(/C=C(/C#N)C(=O)C(C)C)c1	254987504	SIRUJOXDDNVRSW-XFQWXJFMSA-N	320.392	3.951	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cnc(C(C)(C)C)nc1	490979935	ZITMMQDHHXMRRS-OQLLNIDSSA-N	320.396	3.628	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C\c1ccc(Cl)cc1	588495570	MHRKCZZYGKSOJX-YFHOEESVSA-N	304.752	3.944	50	20	DHGD	
CC(C)(C)CCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	728797554	NCAKJPHCQWMODI-UHFFFAOYSA-N	320.477	3.567	50	20	DHGD	
Cc1cc2c(o1)CC(C)(C)C[C@H]2NC(=O)NNc1ccccc1	734270780	YVBMBZHCTPLBHC-OAHLLOKOSA-N	313.401	3.928	50	20	DHGD	
COc1ccccc1[C@@H](NC=C(C#N)C#N)c1ccccc1Cl	741649490	UHGAXESIGDDWGA-SFHVURJKSA-N	323.783	3.959	50	20	DHGD	
C/C(=C/C(=O)NNC(=O)c1ccc2ccccc2c1)C(C)(C)C	742554230	VXCDUQSLPUOSNP-QBFSEMIESA-N	310.397	3.593	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CCCc3cc(C#N)ccc32)cc1	743426986	HNFBJMGMRNIDBT-UHFFFAOYSA-N	317.392	3.591	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C(C)C)cc1O	749280544	BKEOXWVPWUZSFB-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@@H]2C[C@H](C)c3c(C)cccc32)c1	754264828	ZYGOWAVCGXQRLP-GJZGRUSLSA-N	309.413	3.823	50	20	DHGD	
CCCC=NNC(=O)c1ccc(OCCC(C)C)c(OC)c1	755564857	CLNGQQAQBMEVNH-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
CS[C@H](C)CC(=O)NN(Cc1ccccc1)c1ccccc1	756870166	GZPTYAHVWLHQJS-OAHLLOKOSA-N	314.454	3.866	50	20	DHGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1cccc(OC(F)F)c1	766020114	KGYBXOFHYOOSLS-JTQLQIEISA-N	310.344	3.830	50	20	DHGD	
C[C@H](CBr)COC(=O)/C=C\c1ccc2[nH]ccc2c1	770408301	VAGJGBAOIVUSSO-USEMIUTHSA-N	322.202	3.755	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NCCCSC#N)oc12	773584506	BJZOIKBJRIOLBF-UHFFFAOYSA-N	302.399	3.692	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(Cl)ccn1)c1cccc(Cl)c1	778451209	NUZCDKOUAHCNBA-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
Cc1nc(N)sc1C(=O)NN=C1CCC2(CCCCC2)CC1	786038859	RSMOPQXMZWVUGB-UHFFFAOYSA-N	320.462	3.644	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1coc(C(C)C)n1	799480551	YYJPBZYYFQWZQE-UHFFFAOYSA-N	313.401	3.616	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1Cc2ccccc2S1	799757135	WAKKBSYYMDBENC-INIZCTEOSA-N	312.438	3.718	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ncc(-c2ccccc2)s1	811635199	OWCJQWTWAFXPQO-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)C1CCCC1	814801567	NHNUVIQHYXPRNQ-AEFFLSMTSA-N	314.429	3.632	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C1CC1	815039287	UJWQRBUVCNYLNS-UHFFFAOYSA-N	311.769	3.518	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC(C2CCCCC2)C1	819009939	SISUBJHKQJWGBH-ZDUSSCGKSA-N	316.283	3.835	50	20	DHGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1cccc(Br)c1	819408773	DFVCSFNVZSQYFJ-ZWNOBZJWSA-N	311.223	3.719	50	20	DHGD	
CN(NC(=O)C[C@H](Cc1ccccc1)c1ccccc1)C1CC1	819648585	JSRSCMBQALSOSC-SFHVURJKSA-N	308.425	3.528	50	20	DHGD	
CC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCC(=O)CC1	828840399	QEUVBKALOOAAMI-UHFFFAOYSA-N	302.418	3.577	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)c2c(C)noc2n1	837055220	BTURAFSOPLVKGS-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CCOc1ccc(CC(=O)NNc2ccc(C(C)C)cc2)cc1	837057340	CNNOYXZOMYUZQT-UHFFFAOYSA-N	312.413	3.895	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)C1=CCCC1	837216554	VKBRQVKMDPGBRE-UHFFFAOYSA-N	323.868	3.605	50	20	DHGD	
CC(C)CCCCC(=O)NNc1ccnc(Br)c1	837538542	NHGFIVGVSIMGBA-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)n1c(C(C)C)nc2ccccc21	840722760	OCWADUHXCYVVMI-DHDCSXOGSA-N	305.385	3.723	50	20	DHGD	
CCC(=NNC(=O)[C@H]1CCO[C@@H]1C)C12CC3CC(CC(C3)C1)C2	842561294	PWUMGZUKQDHRRW-HBVLHIRESA-N	318.461	3.510	50	20	DHGD	
O=C(NCCC1CC(F)(F)C1)NNc1cc(F)cc(Cl)c1	854124889	SBIHDWKYUPDBNA-UHFFFAOYSA-N	321.730	3.541	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NCCCSC#N)c2c1	854360333	MQJMSJFXNOHKOK-UHFFFAOYSA-N	302.399	3.890	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1csc(CC(C)C)n1	855366486	ALYUVVFBPGSYMN-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2cc(F)cc(Cl)c2)cc1C	855618357	CIWWAFDSTSJZJK-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
CC1C[C@@H]2CC[C@H](C1)N2C(=O)[C@H](Br)C(C)(C)C	856243898	UZCNISVRRLPEEC-YATPEIPISA-N	302.256	3.586	50	20	DHGD	
Cc1noc(C)c1C(C)(C)NC[C@@H](CBr)C1CC1	859301889	QUWMDXYTKYMTHM-GFCCVEGCSA-N	315.255	3.537	50	20	DHGD	
Cc1oc(-c2ccccc2)cc1C(=O)NCCCSC#N	861551503	OWWIMRNEKVDUOS-UHFFFAOYSA-N	300.383	3.589	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863188689	JVBXQHBEHOJOFE-BJMVGYQFSA-N	323.361	3.846	50	20	DHGD	
COc1cccc2cc(C(C)=NNC(=O)c3ccccc3)oc12	916248845	PFMLIKLMNGYJCB-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc(C(F)(F)F)c1	916266538	BULWRITWAYLXLT-UHFFFAOYSA-N	302.296	3.954	50	20	DHGD	
O=C(C[n+]1ccccc1)NN=C1CCCCCCCCCCC1	916271733	YYLVLBHETXZRDK-UHFFFAOYSA-O	316.469	3.751	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)CCc1ccc(OC)cc1	920380648	XHNZNNSORIHYHE-UHFFFAOYSA-N	324.424	3.753	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNC(=S)NC(C)C	1116132771	PNVIURIACDPCRA-INIZCTEOSA-N	315.527	3.667	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)c2ccccc2Cl)cc1	1323085861	PCDOGZFFHMILBJ-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@H](C)c2cccc(Cl)c2)cc1	1341342565	ORUBURNJYUDHML-LBPRGKRZSA-N	316.788	3.868	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCCc3cccnc32)cc1Cl	1343823608	SLHLNWDRIUEUSN-AWEZNQCLSA-N	315.804	3.607	50	20	DHGD	
CC1(C(=O)/C(C#N)=C/c2csc3ccc(C(=O)O)cc23)CC1	1776493978	RJKQBSDFPMIFGB-IZZDOVSWSA-N	311.362	3.876	50	20	DHGD	
CCCOc1ccc2ccccc2c1CN(C)C(=O)CCl	1887497421	RCIASUVMMNLHEQ-UHFFFAOYSA-N	305.805	3.826	50	20	DHGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1ccc(F)cc1	72519556	LIJSPDFCECPMHE-VAWYXSNFSA-N	307.328	3.530	50	20	DHGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1ccccc1Cl	128211662	FSTIPNHGVGYXCM-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cccc(C#N)c3)CCCC2)c1	152680566	XPLYUASUIRBLDZ-UHFFFAOYSA-N	319.408	3.822	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccncc1Cl)c1ccccc1	154538657	MKAMNTSBAOFYFL-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OCC=C)c(Cl)c1	171157759	BLZRRFRZZSVXGD-UKTHLTGXSA-N	303.745	3.541	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nc2sc(C)cn12	172692721	VYCCGKUQCXBIEY-SRMXYGTFSA-N	301.415	3.925	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(Oc2ccccc2)cc1	178962829	DFKUCSQMPFXUDJ-JQIJEIRASA-N	322.364	3.539	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C#N)cc1	211533384	WHUJQUMAJQQOJY-WJDWOHSUSA-N	317.348	3.503	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1	255080977	CVUMOGCBJIZRCN-KAMYIIQDSA-N	310.353	3.961	50	20	DHGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1ccccc1F	255289642	IXOOYVCWYIDJPP-KTKRTIGZSA-N	313.357	3.592	50	20	DHGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1	255471766	YWJUWZPJIJYNLX-KPKJPENVSA-N	324.727	3.960	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC=C(C(F)(F)F)CC1	270266767	KQXYUCTVSHZGSP-RZNTYIFUSA-N	323.274	3.654	50	20	DHGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)c1nnc2n1CCCCC2	275126631	OSKVIASAPSZNOL-WUXMJOGZSA-N	316.767	3.861	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)Cc2c(Cl)cccc21	728697803	WHPYNTMILVQDHA-WDZFZDKYSA-N	307.180	3.598	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C	729321216	VKHFNCDQCKJOQS-JTQLQIEISA-N	313.785	3.764	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1csc(C2CC2)n1)c1ccccc1	731932111	ZDMRMFGENKYLJQ-HNNXBMFYSA-N	313.426	3.664	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1)c1ccccc1F	735610758	WIXMEOASYBCUDJ-OAHLLOKOSA-N	310.372	3.954	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@@H](C)CC(C)(C)C)o1	746525207	FYOLJUKREOHNSU-LLVKDONJSA-N	306.410	3.575	50	20	DHGD	
Cc1c(NNC(=O)c2ccc(C(C)C)cc2)cccc1[N+](=O)[O-]	748666133	QFRVUVGKDHYEKT-UHFFFAOYSA-N	313.357	3.784	50	20	DHGD	
COc1ccc(NNC(=O)C[C@@H](C)c2ccc(F)cc2F)cc1	752621386	CLLCPSVCHRBVNL-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)Cc2ccccc2Cl)cc1	754467332	XEZHBUWKBVWAFJ-GFCCVEGCSA-N	318.804	3.671	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ccc2c(c1)CCC2	754544740	ZPPQMVLQEXTYIR-VCHYOVAHSA-N	319.360	3.531	50	20	DHGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)Nc1ccc(C(=O)O)cc1	755572268	MEQGRKPAEXNVFR-GDNBJRDFSA-N	320.348	3.547	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccc2sccc2c1	761568262	MGAWMIHQBHNNCG-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCO[C@H]1CCCC1=NNC(=O)c1cc2c(s1)CCCCC2	766432379	RCFSBAITPUPWHU-AWEZNQCLSA-N	320.458	3.692	50	20	DHGD	
CSCc1cccc(NC(=O)NNc2ccc(F)cc2)c1	770030090	FANFDTNNAXRSPP-UHFFFAOYSA-N	305.378	3.837	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	776263128	ANFGQRGSJBFJHJ-IZZDOVSWSA-N	320.320	3.843	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2ccnc3cc(Cl)ccc23)C1	776456775	QYCQFIDKJUBPDG-GHMZBOCLSA-N	303.793	3.768	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCCC2(CCCCCC2)C1	780799149	YGMYFFKTVWJNFB-UHFFFAOYSA-N	321.914	3.772	50	20	DHGD	
Cc1nc(NC(=O)[C@@H](Br)C(C)(C)C)sc1C	781076705	WVYCMMPKTJWQDH-MRVPVSSYSA-N	305.241	3.508	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2nccc3sccc23)CC1	783896249	JEMTZBRSPIARKE-HAQNSBGRSA-N	303.431	3.956	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C(C)(C)C(C)C	784777437	AVGYOCXXEVFEKL-UHFFFAOYSA-N	321.490	3.810	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(OC)cc1Cl	797328052	JRPUOTUVKKAESC-UVTDQMKNSA-N	320.820	3.952	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCC[C@H](SC)C1	799588333	RXPXYLHVVJSUOB-CABCVRRESA-N	321.490	3.858	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1ccc(Cl)c(F)c1	801177462	UMJIBBSUWGOOMW-UHFFFAOYSA-N	319.188	3.880	50	20	DHGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)Nc2ccccc2)CC(C)(C)C1	801990311	DWZGHCAQXIAMMY-KBPBESRZSA-N	317.433	3.692	50	20	DHGD	
Cc1ccc(-c2ocnc2C(=O)N(C)CC(Cl)Cl)cc1	808245378	AYXQSLNXMQUCHI-UHFFFAOYSA-N	313.184	3.526	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)c1cccc(Cl)c1	808247048	PAHNHJSSVRCNJB-UHFFFAOYSA-N	308.636	3.880	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc2ccc(Cl)cc2n1	808248575	OFMQDPKDTUMFEP-UHFFFAOYSA-N	317.603	3.764	50	20	DHGD	
C/C(=C\c1ccc(C)cc1)C(=O)NN=c1cc[nH]c2ccccc12	810361362	MHSUFVXMKSOOSZ-FYWRMAATSA-N	317.392	3.512	50	20	DHGD	
CC/C(=C\C(=O)NNc1cccc(Cl)n1)c1ccc(C)cc1	817005309	NIUWGLUYNIYFFA-ACCUITESSA-N	315.804	3.980	50	20	DHGD	
COC[C@H]1CCCCN1C(=O)CCCC[C@@H]1CCSS1	837143503	MQCIKFRYZAZHKG-ZIAGYGMSSA-N	317.520	3.728	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C)nc1C(C)C	838150201	YYDPJBUIPBDUFR-UHFFFAOYSA-N	312.207	3.621	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(CC)[C@H]2C[C@H]2C)cc1OC	841611923	CPUJMEJUBKCYSW-OCCSQVGLSA-N	318.417	3.636	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2cnc(C3CCC3)s2)c1	863155727	WSRCIIVSPQKDFF-UHFFFAOYSA-N	305.428	3.544	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)CC)c(OCCC)c1	915915863	RSEVIRBBIMJQII-UHFFFAOYSA-N	306.406	3.514	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1ccc(C)c(C)c1	915928529	DHRXXUYWRTWVCW-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1cc2cc(Cl)ccc2o1	916245408	WQHGCYYRHAEBLA-UHFFFAOYSA-N	313.744	3.635	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H](C)c2ccccc2)cc1	920377857	OTQGWEOLUYHTQN-HNNXBMFYSA-N	310.397	3.534	50	20	DHGD	
C[C@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)CCl	1319921580	JGGWRBZPRLSYTO-LIRRHRJNSA-N	313.828	3.831	50	20	DHGD	
N#Cc1ccc2c(c1)CCCC2=NNC(=O)c1ccccc1Cl	1322142886	YGAREJNJNLIYGD-UHFFFAOYSA-N	323.783	3.682	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnc2c(C)cccn12	1323134713	BGAJBRXHLIZADR-GDNBJRDFSA-N	301.349	3.741	50	20	DHGD	
CCOc1nc(C)ccc1C(=O)NNc1ccc(C)c(Cl)c1	1326288932	SFRNMWZVGBTLDY-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2ncccc2C)c(C)c1	1347082138	RVBLDMDAWYGUMX-OAHLLOKOSA-N	312.417	3.703	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@@H](C)c2cc(C)oc2C)cc1	1348046438	LMRWQSDSEKAMMP-LBPRGKRZSA-N	317.389	3.682	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccn1)c1csc2ccccc12	1357678580	IMELVPUDTRKYHO-NSHDSACASA-N	312.398	3.684	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(C(=O)O)[nH]2)s1	1609670681	LEJHZKFNQVFRSF-TWGQIWQCSA-N	301.371	3.531	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	103276094	ZOXUJZOZSZOLNU-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
O=C(CC1(O)CCCCC1)NNc1c(Cl)cccc1Cl	132765104	YJTNFZJULGBIIN-UHFFFAOYSA-N	317.216	3.522	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(C(F)(F)F)n1)C(C)C	155990538	PVDBLSAQAWHZSI-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccc(F)cc1F	158146075	MLTWQKMCJZYLRK-WDEREUQCSA-N	308.353	3.582	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NNc1ccc(F)cc1C	160635468	ARDTUSVULUBPRV-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCc1ccc(C(=O)NNc2cccc(Cl)c2)cc1[N+](=O)[O-]	174063206	HYKGDMDRXSFESM-UHFFFAOYSA-N	319.748	3.568	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@]12CCc1ccccc12	175185574	GAADTUSOVRXLKB-WMZOPIPTSA-N	312.800	3.687	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3[nH]cnc3c2)cc1	181147457	KWCWVVDOMZGOEU-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	183685852	BAAHXVVOWABCDX-GDNBJRDFSA-N	322.339	3.964	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1sc(-c2ccccc2)nc1C	184510602	UJAWMRGWXNWTTO-JLHYYAGUSA-N	313.382	3.501	50	20	DHGD	
CO[C@@H](C)CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	195340876	FSIPMMHKEPMPTP-LURJTMIESA-N	311.596	3.515	50	20	DHGD	
COc1ccccc1C[C@@H](C)N(C)C[C@H](C)CBr	246480700	ADRAAKWQRCGDAE-CHWSQXEVSA-N	314.267	3.589	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1Cl	255206482	RURSRZHPDLDDAT-NTMALXAHSA-N	320.179	3.878	50	20	DHGD	
CSc1ccc(C(=O)/C=C\c2cnn(CCCl)c2)cc1F	255594326	LICGMZPMWHLQFQ-RQOWECAXSA-N	324.808	3.879	50	20	DHGD	
CC[C@H](C)CCC(=O)NNC(=O)c1c(Cl)cccc1Cl	285278639	JFNVFHXPAVQOAT-VIFPVBQESA-N	317.216	3.581	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1ccc2c(O)nccc2c1	285764181	RGSXPUPRBBUZFJ-ZDUSSCGKSA-N	315.417	3.990	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1cccc(C(F)(F)F)n1	287599968	LPTGUFKGQRJMIN-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CCCCOCC(=O)NN(Cc1ccccc1)c1ccccc1	303741950	ZIVGITDKFTXZKG-UHFFFAOYSA-N	312.413	3.541	50	20	DHGD	
CCCc1csc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)n1	588431561	RKKYLWDONXOIRH-XYOKQWHBSA-N	315.373	3.780	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)[C@H](C)Oc1cccc(C)c1C	727777383	NSJUABGXUUSTHZ-BBRMVZONSA-N	302.418	3.775	50	20	DHGD	
COc1ccc(C=NNC(=O)CC(C)(C)C)cc1OCC(C)C	728431214	OLBZDNUOJGFTGN-UHFFFAOYSA-N	320.433	3.616	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)NC1CCCC1	742591954	WRSDKURGZJOSKL-KRWDZBQOSA-N	311.470	3.646	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(Br)cc2F)CC1	748173623	HHVWRGHATFEOQD-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1	752142724	KRIFLVCFNVESPD-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3cccnc3Cl)oc12	754485711	SBNOZEBAOCPSCG-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CC[C@H]1CC(=NNC(=O)c2c(Cl)cccc2Cl)CCO1	756827263	SLEKNBHKTGKMSZ-JTQLQIEISA-N	315.200	3.668	50	20	DHGD	
CCC(CC)CC(=O)NNC(=S)Nc1ccccc1C(C)C	759233625	CDUTXXWMHIOFRU-UHFFFAOYSA-N	321.490	3.954	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc(Cl)cs1	760516017	DOJAADJXFIVNIE-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@@H](C)[C@H](C)C2)cc1OC	767366359	DPBZUUAZQGKSCJ-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc(O)cc2)C[C@@H]1c1ccccc1	768476490	NQVBGDCHLDTSCO-MRXNPFEDSA-N	308.381	3.692	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ccc(Br)cc1	775404324	VHFRHSCZNVKHQF-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cc(C)oc2C)cc1	787154994	OJDNVOBZZHCMPJ-VGSSETLESA-N	324.380	3.689	50	20	DHGD	
C/C=C(/CC)C(=O)NNc1ccc(Br)cc1CC	789849395	HTVKCQWLGKJBFL-WMZJFQQLSA-N	311.223	3.811	50	20	DHGD	
CC(=NNC(=O)Cc1cccnc1)[C@H](C)c1ccc(Cl)cc1	794508920	UREWVXBTFNFUSB-LBPRGKRZSA-N	315.804	3.573	50	20	DHGD	
C=C(CBr)COC(=O)c1sccc1C1CC1	795465374	KSTXTBJXSRASRS-UHFFFAOYSA-N	301.205	3.733	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@H]1C[C@H](c2ccccc2)C1	798115966	DPDRBZOALWKJIB-JOCQHMNTSA-N	317.339	3.537	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)c(F)cc1F	799756406	BZXABTOFNLAGNF-UHFFFAOYSA-N	304.340	3.901	50	20	DHGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccsc1	801439480	JOMQAZFZHNOGJM-PSASIEDQSA-N	304.253	3.735	50	20	DHGD	
COc1cc(C)c(NC(=O)NNc2ccc(F)cc2)c(C)c1C	806765275	QYOSDUMRGYAGOI-UHFFFAOYSA-N	317.364	3.908	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(C(F)(F)F)s1	806969870	AXUUDQWDORRBGK-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cn(C)nc2C(F)F)ccc1[N+](=O)[O-]	812243362	KFDYWQHJXUYXOM-IZZDOVSWSA-N	318.283	3.639	50	20	DHGD	
CC(C)[C@@]1(CO)CCCN(CCO[Si](C)(C)C(C)(C)C)C1	815232245	USAAHRUIYMNMIE-KRWDZBQOSA-N	315.574	3.739	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C[C@H]1c1cccc2ccccc12	816605096	LAKJKAWEXSFRMX-KBPBESRZSA-N	308.208	3.863	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2ccc(C)cc2Cl)cc1	817916053	XWRIMFZGOCHSSE-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1cc(F)c(F)cc1F	825862603	DCCVZCPTKJRJTQ-LURJTMIESA-N	314.229	3.526	50	20	DHGD	
CC1(C(=O)NNc2c(Cl)cccc2Cl)CCC(=O)CC1	827154123	WILHJKVHJCLOHL-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)cc1	832861775	GVTCLYURWFOPPI-ZDUSSCGKSA-N	317.216	3.502	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cc2c([nH]1)CCCC2	836935932	WJPGYFOGMMWYMX-UHFFFAOYSA-N	303.793	3.612	50	20	DHGD	
C[C@H]1CCCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	844581390	NLOJIEJPVLHFLM-AWEZNQCLSA-N	310.401	3.558	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2c(F)cccc2F)CCC1	848083855	QVCGEPKQNQERJD-UHFFFAOYSA-N	322.182	3.649	50	20	DHGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNc1ccc(Cl)cc1	857159736	AMRIIRDAGAWVDZ-MRVPVSSYSA-N	307.608	3.757	50	20	DHGD	
CCC[C@@H](OCC)C(=O)NNc1cc(Cl)ccc1Cl	860321402	PTSITDDSUKLBJN-GFCCVEGCSA-N	305.205	3.642	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)(C)C)c(C)n1CCC(C)C	877163030	NFTAFFOQCUHRDY-GZTJUZNOSA-N	315.461	3.973	50	20	DHGD	
O=C(NN=C1CSCc2ccccc21)c1cccc(Cl)c1	915945303	SFCLIAWRYLLJTP-UHFFFAOYSA-N	316.813	3.721	50	20	DHGD	
Cc1cccc(C=NNC(=O)CCSc2ccc(F)cc2)c1	916346293	RZJUTLJNVMIXPC-UHFFFAOYSA-N	316.401	3.767	50	20	DHGD	
CCC[C@H](NC(=O)NNc1cc(F)ccc1F)c1ccccn1	916787333	LDFMZPJWDRSJRS-AWEZNQCLSA-N	320.343	3.527	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](CC(C)(C)C)c1ccc(F)cc1	917605232	XESVECAONOIZQF-WCRPCQDQSA-N	318.392	3.863	50	20	DHGD	
O=C(CCC1CCCCC1)NNC(=O)c1ccc2ccccc2c1	918109040	YYDLFWSVRKCIPY-UHFFFAOYSA-N	324.424	3.961	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)ccc1F	1319478035	GTMRGUONMCLVOG-LCYFTJDESA-N	303.333	3.617	50	20	DHGD	
N#Cc1ccccc1Oc1ccc(NC(=O)CCl)cc1F	1320465908	QTJMICUTSSYUJJ-UHFFFAOYSA-N	304.708	3.667	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	24737392	JZJADNFIKGBISQ-GZTJUZNOSA-N	301.434	3.584	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(C#N)cc3)n2)cc1	32791315	QHWUNUZRKDHHJA-LICLKQGHSA-N	312.332	3.981	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H]1c1cccnc1	36134209	FQUVPRMDCRRSKK-INIZCTEOSA-N	300.789	3.798	50	20	DHGD	
Cc1ccccc1NNC(=O)c1ccc(OC(F)(F)F)cc1	120318428	BATITLIUHDAQLL-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(F)cc2Br)cc1	123126507	APRRKCMIKJJZJO-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@@H](C)c2ccc(F)cc2)c1	150798416	ZOHUKXQYHIRSQV-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
CC[C@@H](C(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1	156001964	JDPJENGPVOPPGR-GFCCVEGCSA-N	323.318	3.737	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)ccc2N2CCCC2)c1	159304949	BMNUQUMJZPRMSW-UHFFFAOYSA-N	323.440	3.969	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)ccc2C)cc1	193794370	DCPPOMQJCPDGLA-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)s2)cc1	255576140	DVJUYXXOXPKYRP-LCYFTJDESA-N	307.378	3.728	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(Cl)c(F)c2)CCO1	272861552	SBTHYAJADGUIKL-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CCc1cc(O)ccc1NC(=O)[C@@H](Br)C(C)(C)C	276922789	PVOMTYSYTBVLCD-GFCCVEGCSA-N	314.223	3.703	50	20	DHGD	
Cc1csc(CC(=O)NN=C(CC(C)C)c2ccccc2)n1	725857781	SIDCNMUSPSRWHO-UHFFFAOYSA-N	315.442	3.561	50	20	DHGD	
CC(C)c1ccc(C(=O)NNC(=O)CCCc2ccccc2)cc1	727716992	PEPKHIVMLCZNIB-UHFFFAOYSA-N	324.424	3.594	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1)c1cccc(OC(F)F)c1	728433793	OLEVMIXZHRYMMO-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
CCCCC(COC)=NNC(=O)c1ccc(Cl)cc1Cl	737422493	HFCIBJRFPCLIJU-UHFFFAOYSA-N	317.216	3.916	50	20	DHGD	
COc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1Cl	741456459	PXQMOXFJESBRBP-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2cccc(C(F)(F)F)c2)c1C	746033458	MDFIQLTVGXKNOW-UHFFFAOYSA-N	312.291	3.981	50	20	DHGD	
O=C(CCc1ccccc1F)NNc1ccc(Cl)c(F)c1	746695205	DHHIQTIZAHFIJM-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2cccc(F)c2o1	746704150	VELRJZZIORIQIS-UHFFFAOYSA-N	324.233	3.746	50	20	DHGD	
COCc1cccc(COC(=O)/C(C#N)=C/c2ccc(C)cc2)c1	746977358	PEYHMDOHRXUFDQ-YBFXNURJSA-N	321.376	3.792	50	20	DHGD	
C=CCCCCCN(C)C(=O)/C(C#N)=C/c1ccc(F)cc1	752436954	CDAVCGWWOOXVIL-DTQAZKPQSA-N	300.377	3.937	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NN(C)c1ccccc1	754450753	MGAGMPQMPVIDLA-ZDUSSCGKSA-N	302.805	3.686	50	20	DHGD	
Cc1cccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)c1Cl	755181263	MGQVNOXJOXPDBQ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
C[C@@H](C=NNC(=O)NCCc1cccs1)c1ccc(F)cc1	756885716	WVBKLYVQWBYOSO-LBPRGKRZSA-N	319.405	3.518	50	20	DHGD	
CN(NC(=O)c1ccccc1NCc1ccco1)c1ccccc1	763824708	FBTHQFGWRYGZAH-UHFFFAOYSA-N	321.380	3.673	50	20	DHGD	
Cc1cc(OCC(=O)NNc2ccc(F)cc2)cc(C)c1Cl	764717577	RYAMPRVLNBTSTK-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
COc1c(Cl)cccc1NC(=O)NNc1c(C)cccc1F	771136600	ZEHXXTBJZOKGQJ-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
Cc1ccc(SC[C@H](C)NC(=O)NNc2ccccc2)cc1	771402564	SGLVPXGWDILCJL-AWEZNQCLSA-N	315.442	3.802	50	20	DHGD	
Cn1ccc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)n1	773149616	IIXVTACMOPWFME-TWGQIWQCSA-N	300.774	3.747	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C(C)(C)C)C(F)(F)F	775980415	GWWNYXQVIUHACP-NSHDSACASA-N	321.318	3.737	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1cccc([N+](=O)[O-])c1	779756387	QXVBVSSDEXIXAK-LBPRGKRZSA-N	305.378	3.773	50	20	DHGD	
C#CCOc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1	780808237	BFGIMUMEONPHTM-UHFFFAOYSA-N	322.408	3.753	50	20	DHGD	
CC[C@H](C#N)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	781129995	USMGXIOHYIRZFP-QLGNDSFESA-N	313.401	3.513	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)[C@H](C)C1	783822123	TXNUKRWCSDAURQ-CHWSQXEVSA-N	311.385	3.884	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCCSc1ccc(Cl)cc1	786668762	IKHJCGWEKAVOBE-XFXZXTDPSA-N	307.802	3.835	50	20	DHGD	
CCCn1c(C(=O)NNc2ccc(OC)cc2)cc2ccccc21	787996283	TUEYTEUGQVHQME-UHFFFAOYSA-N	323.396	3.817	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NCCSSC)cc1	791150378	JNSHKLUALIQLAW-UHFFFAOYSA-N	312.504	3.664	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@@H]1CCF	794889524	ZBOCUNXOCUPUEZ-SNVBAGLBSA-N	312.772	3.594	50	20	DHGD	
N#C/C(=C\c1c(F)cccc1Br)C(=O)c1ccoc1	806557198	OIMFJYZESJBONA-UXBLZVDNSA-N	320.117	3.971	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1sccc1Cl	806900343	MOPLTTPYHCHTKJ-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CC(C)[C@H](NCc1ccc(OCCCCl)cc1)C(C)(C)O	811495041	AVQTYKNVABSZLD-INIZCTEOSA-N	313.869	3.579	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc3oncc3c2)cc1	821027143	DZCPZHTVVIGZOQ-DHDCSXOGSA-N	317.348	3.936	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)C1CCC1	822362733	CPNXEUFVZKVLAC-UHFFFAOYSA-N	300.324	3.975	50	20	DHGD	
C[C@@H]1C[C@H](CNC(=O)CCCC[C@H]2CCSS2)[C@@H](C)O1	839852733	YJEGTRCUQGOIAF-SYQHCUMBSA-N	317.520	3.630	50	20	DHGD	
CC(C)[C@H](O)CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844344867	KODNPJXMSHBIJM-MRXNPFEDSA-N	315.574	3.737	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)OCC(F)(F)F)cc1	853431837	KXUKETBBVYJRNZ-UHFFFAOYSA-N	302.296	3.607	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)c1cccc(F)n1	853442246	LWGSABPKVRHHGI-UHFFFAOYSA-N	313.376	3.739	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1ncncc1Cl	853693977	HKDYFZANNYVCMD-UHFFFAOYSA-N	301.894	3.588	50	20	DHGD	
O=C(C[C@@H]1CC[C@H]2C[C@H]12)NNc1nc2ccc(Cl)cc2s1	856235584	BOSDRHFOPPIKNS-QXEWZRGKSA-N	321.833	3.829	50	20	DHGD	
CCc1nc(C)c([C@H](C)NC[C@@]2(C)C[C@@H]2Br)s1	857083736	ZKWUBRJCBKJAHZ-GMOODISLSA-N	317.296	3.838	50	20	DHGD	
BrC[C@@H](CN1CCC[C@H]1c1ccncc1)C1CC1	859210627	LZBCNAWXHFTHMO-GJZGRUSLSA-N	309.251	3.640	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@H]1CN[C@H]1c2ccccc2CC12CCOCC2	894548850	LMSVIFMWDHJBNP-STECZYCISA-N	305.849	3.544	50	20	DHGD	
CSc1cccc(NC(=O)[C@@]2(C)C[C@@H]2Br)c1C	907221635	BQYNOVXBVFXWSU-AAEUAGOBSA-N	314.248	3.829	50	20	DHGD	
CC(C)(C)[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	916518047	FOVNJPSIIIGJLU-QGZVFWFLSA-N	322.412	3.972	50	20	DHGD	
CC(C)[C@H](C#N)C=NNC(=O)c1cc2c(s1)CCCCC2	1253448498	FEJOXPNDKYINGJ-CYBMUJFWSA-N	303.431	3.528	50	20	DHGD	
CCCC[C@H](CC)CNC(=O)NNc1ccc(C(C)(C)C)nn1	1318580581	FFKVGBXDSZUJLC-ZDUSSCGKSA-N	321.469	3.617	50	20	DHGD	
O=C(Nc1cccc(-c2cc[nH]n2)c1)C1CCC(Cl)CC1	1348506581	MTEGNDQXNAGXSG-UHFFFAOYSA-N	303.793	3.813	50	20	DHGD	
O=C(/C=C/c1nccs1)NNc1ccc(Cl)cc1Cl	1351535571	DYYLOWFDOKLXDY-ONEGZZNKSA-N	314.197	3.606	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1cnn(C(C)(C)C)c1	1354684799	BGWNNDOUWRZISN-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
N#C/C(=C/c1ccoc1C(=O)O)C(=O)c1cc2ccccc2o1	1601045750	IXKKMKVCRSOHOI-GHXNOFRVSA-N	307.261	3.514	50	20	DHGD	
C=C(Br)CNC(=O)CCCC[C@@H]1CCSS1	68952354	JAPZWUDQVRDGMZ-SNVBAGLBSA-N	324.309	3.725	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cc(F)c(F)c(F)c1	92765120	XWMFVLZCKGQQBK-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3cccs3)n[nH]2)c1	132475259	XWCHZPUNRAKCLV-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)Nc1ccccn1	132477785	SZSDCLZAAFTHTQ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1cccc(Br)c1	152015031	RCTBETJVEWBOST-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
CCOc1cccc([C@H](C)NC[C@@H](C)CBr)c1	152781032	XOINYKMTPKSFIL-RYUDHWBXSA-N	300.240	3.767	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cn1	171981144	WNSAAADRLPCTQW-NTUHNPAUSA-N	314.776	3.663	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	172814423	BNMRWYBRYYRXBA-UXBLZVDNSA-N	303.774	3.651	50	20	DHGD	
O=C(NNc1cccc2cnccc12)Nc1cc(F)cc(F)c1	178517541	KWRSVLONWQHFGG-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)c1cnc2ccccc2n1	191360891	DJMWAMXWCMUUKZ-NTCAYCPXSA-N	323.359	3.880	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(OCC#N)cc1	255315508	KSCOTOZQSRMEOO-GXDHUFHOSA-N	308.362	3.749	50	20	DHGD	
O=C(NNc1ccccc1)c1ccnc(-c2ccc(Cl)cc2)n1	370678546	XQFPRPKWYDMHDZ-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)cc1Cl	729623394	IAQCUORMOWBHKA-KWQFWETISA-N	302.205	3.808	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C3/COc4ccc(F)cc43)[nH]c12	735620412	ZJYLCXPNPGEALM-YPKPFQOOSA-N	305.312	3.837	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CCC[C@H]1Cc1ccccc1	739031414	FYMHZRAWLFNKBU-FUHWJXTLSA-N	309.413	3.724	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=CC1CCCCCC1	741838899	XUHQDQFVECBYFU-CYBMUJFWSA-N	306.381	3.665	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NN(C)c1ccccc1	743292029	WABYHULMBNBJAG-AWEZNQCLSA-N	300.377	3.562	50	20	DHGD	
COc1ccc(NNC(=O)C2(c3cccc(Cl)c3)CC2)cc1	746886145	IAUHGPKPTCXPRA-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1cccc([N+](=O)[O-])c1	748005973	UQUYNECCDUACIL-UHFFFAOYSA-N	305.378	3.789	50	20	DHGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2cccc3c2CCCC3)C1	748588838	PHPVFTPRJQHFBY-ZBFHGGJFSA-N	316.445	3.604	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1C[C@H]2CC[C@H]1C2	748751311	TUAGPCGREPUWJW-GMXVVIOVSA-N	323.234	3.637	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc3cnccc23)c(O)c1	749292664	VKUSBLFTUBPWEN-UHFFFAOYSA-N	321.380	3.821	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2c(C)[nH]c3ccc(Cl)cc23)o1	752733404	XCBOYEFNNZNAER-UHFFFAOYSA-N	315.760	3.795	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc2c(c1)ncn2C	761197337	CGYVPXJYVBTWPQ-QPEQYQDCSA-N	307.378	3.733	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc2sccc2c1	761568878	YQDUXCYSYYNTOQ-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)[C@H]2CCCc3cccc1c32	763290425	QZFLNMNPMAOUQT-BRYYZUPOSA-N	312.800	3.822	50	20	DHGD	
CC(C)N(c1ccc(Cl)cc1)S(=O)(=O)CCCCCl	780777767	QZEXPOCTRNZRDA-UHFFFAOYSA-N	324.273	3.904	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)C1CCCC1	781552972	GZIZGDUZGIYACB-NTEUORMPSA-N	314.341	3.660	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cnc(-c2ccc(Cl)cc2)s1	789127768	OWZSBZORUPDWTL-UXBLZVDNSA-N	304.758	3.543	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@]2(C)[C@H](C1)C2(Cl)Cl	792908236	LOPLXXSJRYSASZ-UTLUCORTSA-N	315.082	3.533	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(OC(F)(F)F)cc1	794774650	UEFPSUHXVLBWQR-UHFFFAOYSA-N	322.286	3.658	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(F)c2ccccc12	795241310	CRINXXJPBMXEIB-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCC[C@H]2C)cc1	799058761	CVVOODZPAVTXBD-FGNMZNBMSA-N	312.413	3.545	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cncc(F)c1	799234055	GXTPOZYFXWHMKG-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCC[C@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)C(C)C	802016180	OYWTZULWPTWKRH-ZDUSSCGKSA-N	311.813	3.565	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1nccnc1C1CCC1	805463927	OBSXMRRNYSYQNR-ZDUSSCGKSA-N	304.438	3.794	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2ncccc2F)c(Cl)c1	806134709	AXSNOLXDOJYRJE-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1cccc(F)c1	810682468	XXVARWQFBQFMIL-UHFFFAOYSA-N	306.768	3.945	50	20	DHGD	
ClCCCOc1ccc(CNc2ccnn2CC2CC2)cc1	811484048	ONMNKSZAQLJIIY-UHFFFAOYSA-N	319.836	3.913	50	20	DHGD	
CSSCCNC(=O)C1(c2ccccc2C)CCCC1	813246621	FPUZTTLYTJNZDC-UHFFFAOYSA-N	309.500	3.934	50	20	DHGD	
O=C(NN=Cc1cccc(O)c1Cl)c1cccc2ccccc12	814854128	CYGHMQXKRXMVPN-UHFFFAOYSA-N	324.767	3.963	50	20	DHGD	
O=C(NN=C[C@H]1CCSC1)Nc1ccc(Cl)cc1Cl	814995309	GPZKDFRMSSITRM-MRVPVSSYSA-N	318.229	3.854	50	20	DHGD	
O=C(Cc1c[nH]c2cccc(Cl)c12)NNc1ccccc1F	815851326	ZZAOHSNRZXVFGE-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
Cc1cc(NC(=O)NNc2cc(F)ccc2C)n(C(C)(C)C)n1	820152840	FFBBEXZIBPNQTK-UHFFFAOYSA-N	319.384	3.543	50	20	DHGD	
CO[C@H](C1CC1)[C@@H](C)NCc1ccc(OCCCCl)cc1	825098621	LTDOLWLLJKNJAV-DYVFJYSZSA-N	311.853	3.597	50	20	DHGD	
CCCCCCO[C@H](C)C(=O)NNc1cc(F)c(F)cc1F	839683849	QHYZEHYLBOOECT-SNVBAGLBSA-N	318.339	3.532	50	20	DHGD	
CCn1nccc1/C=C(\C#N)n1c(C(C)C)nc2ccccc21	840722827	PARRZAVSQRHIIA-RVDMUPIBSA-N	305.385	3.898	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cc(Br)cnc1Cl	843269367	PCSOZZDISLEOPF-OQFOIZHKSA-N	313.582	3.630	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1cccc(Cl)c1Cl	848084600	RXUKOJDVQHPENM-UHFFFAOYSA-N	315.027	3.798	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2cccc(Cl)n2)c1	848124200	MHLJDXHLAQWHDT-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849179827	XEXSVSQMCAWGMJ-OBHPCNEJSA-N	323.348	3.546	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NNc1ccc(-c2ccccc2)nn1	857148885	KMPBAMOQPNGHFE-QGZVFWFLSA-N	316.380	3.505	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CCc2ccc(Cl)cc21	858434071	UZJDPAGDJNLAFD-LBPRGKRZSA-N	316.879	3.638	50	20	DHGD	
C#CCCCCCC(=O)OC[C@H](CBr)C1CC1	859629854	LHRBETHWBIJXNT-ZDUSSCGKSA-N	301.224	3.534	50	20	DHGD	
COc1cc(F)cc(OC)c1/C=C(/C#N)c1nc(C)c(C)s1	865220582	MTOFEXAGYNIPGM-WZUFQYTHSA-N	318.373	3.980	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1	916336377	CZRRQGURVIRAAE-MRXNPFEDSA-N	310.397	3.529	50	20	DHGD	
CCc1c(C(C)=NNC(=O)CC(F)(F)F)oc2ccccc12	917552055	XFELCKZGDXUGDZ-UHFFFAOYSA-N	312.291	3.788	50	20	DHGD	
C=C[C@H](CC)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	935025395	MCEFYPLGNIMPIN-LLVKDONJSA-N	316.323	3.673	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3cc(C(=O)O)co3)c[nH]c2c1	1600490363	RJRSJSPHUBKDJY-WZUFQYTHSA-N	320.304	3.557	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1cc(F)c(F)cc1F	115718085	FTRALCVUJVIZLW-UHFFFAOYSA-N	308.303	3.570	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	115718911	NZCLPZTXDWOBMX-NSHDSACASA-N	308.303	3.741	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(-c3ccc(C)cc3)no2)cc1	119934430	NLTYSQRDDHROJK-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1c(Br)cccc1C(=O)NNc1ccccc1F	153305754	JGNJRDNIIUXMJF-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1cc(C)ccc1C	158917820	CEZCYUNRKVKOOL-NTCAYCPXSA-N	310.397	3.859	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc(OC)c1	170933556	MVZNYJLBEOTGPU-AWNIVKPZSA-N	313.378	3.864	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(C)s1	170938420	KTNSBQZFXDCXSG-RVDMUPIBSA-N	307.374	3.858	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(-c2csc(C)n2)cc1	178949860	KRDQVPHJPHPERN-UKTHLTGXSA-N	313.382	3.501	50	20	DHGD	
CCc1ncsc1C(=O)NNc1ccc(C(C)(C)C)cc1	181131106	FWBTWWMWIMJDAU-UHFFFAOYSA-N	303.431	3.760	50	20	DHGD	
C[C@@H]1CC(NC(=O)CCCC[C@H]2CCSS2)C[C@@H](C)O1	245561295	CBUYWLOKCKWVSW-BZPMIXESSA-N	317.520	3.773	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1O	254865671	RPFYHXJJNNIMLF-UHFFFAOYSA-N	310.397	3.844	50	20	DHGD	
N#C/C(=C/c1coc2ccccc12)C(=O)NCc1ccccc1	255370992	HPLRHVYVATZGBT-GDNBJRDFSA-N	302.333	3.656	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCCN(C2CCCC2)CC1	255724436	ZNHPISPFUJDWBQ-VXLYETTFSA-N	313.420	3.640	50	20	DHGD	
CC(C)Cc1ccc(C(=O)CCC(=O)N2CC=C(C#N)CC2)cc1	271090860	ICUUFBHZLFARRR-UHFFFAOYSA-N	324.424	3.530	50	20	DHGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNc1cccc(Cl)c1	492263433	SECLGJRJPJCMLI-FNORWQNLSA-N	311.772	3.978	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cn1	588578307	DGMZKDJTNFDYJO-GDNBJRDFSA-N	308.341	3.510	50	20	DHGD	
CCC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1	728433722	MZFWMADWAQVQKH-UHFFFAOYSA-N	318.323	3.832	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)C[C@@H](c1ccccc1)C(C)C	728513295	VSWPQSGMSWQFHC-GOSISDBHSA-N	324.424	3.586	50	20	DHGD	
C/C(C=NNC(=O)c1ccc(O)c(Cl)c1)=C/c1ccccc1	734093496	JERBGEMLBWGKOG-POPPPBDKSA-N	314.772	3.865	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1ccccc1)c1ccc(F)cc1	734267228	YUCNFUOBHNZGNG-MRXNPFEDSA-N	301.365	3.849	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)CC(C)(C)C	734549450	VLTFUZKZWOENBW-OAHLLOKOSA-N	310.482	3.813	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)[C@@H]1CCOC1	741766589	XISKAXQWZCUEFW-QGZVFWFLSA-N	323.396	3.888	50	20	DHGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)NNc1ccccc1Cl	745858281	ZWGICLTVXSMFOJ-DOTOQJQBSA-N	315.804	3.696	50	20	DHGD	
CC[C@@H](SC)C(=O)NN(Cc1ccccc1)c1ccccc1	746767336	WBJYQYDEWWHYTP-QGZVFWFLSA-N	314.454	3.866	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)C1[C@H]2CCC[C@H]12	748527681	JGNJEMRHKZPMSU-ROUUACIJSA-N	306.409	3.771	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)[C@H](C)c1nc2ccccc2s1	748786808	UVTMNNSBNMKMSE-MNOVXSKESA-N	303.431	3.938	50	20	DHGD	
COc1cc(C(=O)NN=C2CCCC2(C)C)ccc1OC(C)C	749853810	CGXPKARTIUMKHD-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
C[C@H](CCC(=O)NNc1c(F)cccc1F)c1ccccc1	750423932	NDVJLCSNQVORIU-GFCCVEGCSA-N	304.340	3.992	50	20	DHGD	
Cc1cccc([C@H](C)CNC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	752452156	QCUUWVLSYYNXCV-CLXYIWAZSA-N	322.383	3.961	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(C#N)c(Cl)c1	753307016	YVBGVUIPYMCGRV-NEPJUHHUSA-N	305.809	3.871	50	20	DHGD	
CCc1nc(C=NNC(=O)Cc2cccc3ccccc23)cs1	755630963	BUYNUKCLLPKFSZ-UHFFFAOYSA-N	323.421	3.552	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccn(C)c2)cc1	763278101	VGKZLAXHHMMMNC-ATVHPVEESA-N	307.397	3.913	50	20	DHGD	
C[C@H](CBr)CN1CC[C@H](Cc2ccc(F)cc2)C1	770653058	LXPVOPOEZZUOMU-TZMCWYRMSA-N	314.242	3.721	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cccc(OCC#N)c2)ccc1[N+](=O)[O-]	774560218	WYXJTDALKGAHHA-YBEGLDIGSA-N	319.320	3.870	50	20	DHGD	
CC(C)(C(=O)NNc1cc(Cl)ccc1Cl)c1cccnc1	778391569	BBKNOBINAIYMDP-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1F)c1c[nH]c2ccccc12	783507659	LXFJPBGZYAKDGM-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CCCCS1	783646507	XFDLZVRLCGUPRD-CQSZACIVSA-N	321.833	3.617	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)c1cccc(Br)c1	786673458	HDOPXAORETZDMH-BNDQCTAISA-N	320.186	3.913	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1nc2ccc(OC)cc2s1	788688095	IXGKYMNQLLLSJF-UEUZTHOGSA-N	300.383	3.827	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1cccc(F)c1	789996185	LDIJPHAVBNYABD-UHFFFAOYSA-N	304.390	3.836	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cccc3c2OCC3(C)C)c1	790001093	QZXJMOSCKYLZCU-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1ccc(Cl)c(OC)c1	790188496	FBSYYSOXHPZOGT-JTQLQIEISA-N	316.854	3.714	50	20	DHGD	
CSSCCNC(=O)/C(C)=C/c1ccccc1Cl	791099106	BWQPYNVITPZJDK-MDZDMXLPSA-N	301.864	3.871	50	20	DHGD	
Cc1csc(-c2cccc(C(=O)NNc3ncccc3C)c2)n1	791217547	UWGIBIUSWQJAAG-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC2(C)CC2)c1C	791814015	YVPXKMIMKRAUOU-SFQUDFHCSA-N	313.445	3.728	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1cccs1	794780196	BKWAYTKGLAURQZ-UHFFFAOYSA-N	311.366	3.557	50	20	DHGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1ccc(C)o1	794914246	FZAPXUBUICPSCH-UHFFFAOYSA-N	306.312	3.605	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cncc(C(F)(F)F)c2)c(C)c1	809700665	LPJUIQRJRJDHGG-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1ccc(OCC)c(OC)c1	814754033	CNUOBXIZTBGJEL-UHFFFAOYSA-N	318.417	3.946	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(-c2cccc(F)c2)s1	814987434	PVRMJOCNOIKORO-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	833608598	NKUSWNNRAROHPQ-MNOVXSKESA-N	324.808	3.698	50	20	DHGD	
Cc1cc(OC(=O)C2(C(F)(F)F)CCC2)ccc1[N+](=O)[O-]	835071029	UPEMWLPHZBUFBT-UHFFFAOYSA-N	303.236	3.541	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@@H](C)c2nccs2)c(Cl)c1	838551574	ZQOQPJPJVRCTNS-SNVBAGLBSA-N	324.837	3.535	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CCOC(C)(C)C2)cc1	838735548	OOPYHBASHVLQMQ-AWEZNQCLSA-N	319.449	3.641	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2nc(C(F)(F)F)cs2)CC1	839701738	SILBWEUTLFUFLX-UHFFFAOYSA-N	319.352	3.742	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)c1ccc(Cl)cc1	846018252	FWGJZIFYZQOJQA-LLVKDONJSA-N	318.808	3.500	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2ccncc2F)C1	852524096	NPGMYKSWEQXTFK-CQSZACIVSA-N	310.489	3.817	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCc2cscn2)C1	852525319	XKFXYHSESCRXEZ-AWEZNQCLSA-N	312.555	3.782	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc(F)n1)c1ccc(Cl)cc1	854442546	CAZZGGPRVRNYMH-ZDUSSCGKSA-N	321.783	3.901	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)c1cccc(C2CCC2)c1	856091490	OIQGWOXKBICGNR-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
CN(CC1CCC(F)(F)CC1)NC(=O)OCc1ccccc1	859386194	GVOLENBONGSZTI-UHFFFAOYSA-N	312.360	3.585	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(F)c(Cl)c2)c(C)n1	863081226	CJJAZOIVRVTRGP-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(F)c(Cl)c2)cc1C	863081358	HFFPIAWUABVUMP-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
COc1ccc(NNC(=O)CC(C2CCC2)C2CCC2)cc1	863867344	WHSGDYFGEIXFBD-UHFFFAOYSA-N	302.418	3.745	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1c(Cl)cncc1Cl	865217742	OESAMUQHGLLYHX-UXBLZVDNSA-N	312.200	3.602	50	20	DHGD	
Cc1nn(C)c(NC(=O)NNc2ccc(C(C)C)cc2)c1Cl	888633697	NTPMBCDDGFFZJL-UHFFFAOYSA-N	321.812	3.654	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@]2(C)CC2(F)F)C1	912581329	GSJQRUWPQLRGBS-FZMZJTMJSA-N	319.468	3.654	50	20	DHGD	
CC[C@H](C)[C@@H](C)NC(=O)NNc1ccccc1C(F)(F)F	920049373	QUNGDLTUIGNBGN-VHSXEESVSA-N	303.328	3.766	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2sccc2C)n1	920388354	VTZYFZHJHVESSG-UXBLZVDNSA-N	304.396	3.754	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3cccnc3)s2)cc1	920477952	DQMXGOUJSATMCU-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccsc1C(F)F	924249345	DTHZXJUBAYGEMJ-LURJTMIESA-N	313.163	3.874	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccn(C2CCCC2)n1	928339800	LYSMMXRGVUXYHN-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
CN(N=Cc1c(Cl)cccc1N(C)C)C(=O)OC(C)(C)C	1253805869	UYIIMONCVFFTDG-UHFFFAOYSA-N	311.813	3.607	50	20	DHGD	
Cc1cncc([C@@H]2CCCN2C(=O)C2CCC(Cl)CC2)c1	1352587423	YKMSHJJPRQXJDP-BCLQGDPASA-N	306.837	3.851	50	20	DHGD	
Cc1ccccc1-c1ccccc1C(=O)N1CC=C(C#N)CC1	1566459667	NCXJXFHAXLODHU-UHFFFAOYSA-N	302.377	3.958	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1ccccc1C(=O)O	1610655291	KLKCKUONRDWCAH-UHFFFAOYSA-N	304.390	3.579	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2)c(C)c1	5131228	INMSXRFESRSIIQ-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
N#CC(C#N)=CNc1ccc(Br)c(C(F)(F)F)c1	15241250	KTBGVSIXVMBLAH-UHFFFAOYSA-N	316.080	3.811	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc(-c2ccoc2)c1	89866006	YKFSVDOQXCOROO-UHFFFAOYSA-N	323.308	3.612	50	20	DHGD	
CC[C@H](NNC(=O)CSc1ccc(C)cc1)c1ccccc1	112517591	CQQMTMRRHQSXSP-KRWDZBQOSA-N	314.454	3.859	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccccc1OCC1CC1	118511470	XUNYQGGDYDWVHN-UHFFFAOYSA-N	318.323	3.511	50	20	DHGD	
CCn1nccc1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	152173902	UZHKZGWRWMSVSQ-NTMALXAHSA-N	320.179	4.000	50	20	DHGD	
C[C@H](CBr)CN[C@@H](C)c1cccc(OC(F)F)c1	152772304	RZSYNXOHIOEEEC-ZJUUUORDSA-N	322.193	3.970	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C/c1ccc2ccccc2n1	160888400	RERWBWGKVQPTFO-PKNBQFBNSA-N	321.355	3.839	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccnc2ccccc12	175444904	UNTUHYHIALSJRF-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccccc1Br	206063284	ZYVIGNFCUJTLJE-FMIVXFBMSA-N	308.175	3.699	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])c(O)c2)c1C	255734509	NDNMMYFMWMJFNM-RIYZIHGNSA-N	322.320	3.707	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC=C(C(C)(C)C)CC1	270484101	SQKURWHYBPCDSC-UHFFFAOYSA-N	323.868	3.557	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@H]1CCCC12CCOCC2	367322132	NPZUORWJRBIMAG-HNNXBMFYSA-N	313.558	3.947	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(F)ncc1F	490938744	FYBYYEXBAVOYKU-MLPAPPSSSA-N	313.307	3.522	50	20	DHGD	
CC(C)C(=O)NNC(=O)CCCCc1ccc(C(C)(C)C)cc1	726931928	UJYOLLXCYXIONW-UHFFFAOYSA-N	318.461	3.500	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cccc(N(C)C)c1	727254091	OQTJOSNIPUGWJX-CQSZACIVSA-N	301.434	3.829	50	20	DHGD	
CC[C@H](NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1	738414882	CBTWUCPPGVGIBS-AWEZNQCLSA-N	318.417	3.762	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc3ccccc23)[C@H]2CCCO[C@H]21	743441678	MCGODHBEQVIWPO-SJLPKXTDSA-N	322.408	3.761	50	20	DHGD	
CCc1cnc(COC(=O)CCCC[C@@H]2CCSS2)o1	744551639	DOOUZJZZXPNQDW-GFCCVEGCSA-N	315.460	3.994	50	20	DHGD	
Cc1ccc(O)c(C=NNC(=O)c2c(Cl)cccc2Cl)c1	755699240	VQXDERPHGRSKPT-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
C[C@@H](C(=O)NNc1c(Cl)cccc1Cl)C(F)(F)F	763617825	SPVPGZPAWLCKQP-YFKPBYRVSA-N	301.095	3.635	50	20	DHGD	
CC(C)N(C(=O)[C@@H](Br)C(C)(C)C)C1CCCC1	767959636	NZMSFXWCCJCKRJ-GFCCVEGCSA-N	304.272	3.976	50	20	DHGD	
CCc1cccc(C)c1NC(=O)NNc1nccnc1C(C)C	770075775	LSZJJHMQRVVFKZ-UHFFFAOYSA-N	313.405	3.619	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cc(C#N)cs2)ccc1[N+](=O)[O-]	774563163	XOAHAEZIWRNUKN-XGICHPGQSA-N	311.322	3.601	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@@H]1CC[C@H](C)C1	776343301	SNXFEHJDHKQDNZ-QWHCGFSZSA-N	319.474	3.564	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc2ncccc12	781069730	BUCHTUHTKXHQAP-ZDUSSCGKSA-N	321.218	3.983	50	20	DHGD	
Cn1nc(C(F)(F)F)c(/C=C(\C#N)c2ccccn2)c1Cl	782105527	DOHQQLGUCIPGPI-SOFGYWHQSA-N	312.682	3.551	50	20	DHGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)COCc2ccccc2)C1	783844849	FJEHDZWQXXHGEB-DOTOQJQBSA-N	302.418	3.522	50	20	DHGD	
C[C@@H](CC1CCCCC1)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787586882	OPCYDUANPBEHPU-IQGJIOQQSA-N	312.413	3.774	50	20	DHGD	
CCC(O)(CC)CCNC(=O)CCCC[C@@H]1CCSS1	788115548	HHUVUEDQDJQMLD-CYBMUJFWSA-N	319.536	3.758	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccccc2Cl)c1C	792482084	NPDBCFJKGVYQDG-JTQLQIEISA-N	321.812	3.965	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)CC2CCC2)cc1	794285303	UARWPUQQXHHKOQ-SFQUDFHCSA-N	312.413	3.641	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C(C)(F)F)cc1	796249872	YAWIQAWPLMCSDN-UHFFFAOYSA-N	319.145	3.906	50	20	DHGD	
O=C(NN=C1CCCc2cccnc21)c1ccc2ccccc2c1	799109141	WLTGPAOIKXOBPS-UHFFFAOYSA-N	315.376	3.705	50	20	DHGD	
CC1(CC(=O)NNc2nccnc2C2CCC2)CCCCC1	805467678	GFWVCNOTFOCCPM-UHFFFAOYSA-N	302.422	3.548	50	20	DHGD	
CCSCc1cccc(NC(=O)NNc2ncccc2F)c1	806303806	SOCMXBNPGCOSEO-UHFFFAOYSA-N	320.393	3.622	50	20	DHGD	
COC(C)(C)C[C@H](C)NCc1ccc(OCCCCl)cc1	811482621	ZLGLLRPMMFDAJX-AWEZNQCLSA-N	313.869	3.988	50	20	DHGD	
FC1(F)CC(CNCc2ccc(OCCCCl)cc2)C1	814169440	HXFLSEUTSKMXET-UHFFFAOYSA-N	303.780	3.829	50	20	DHGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1ccccc1	814212516	RIVLWDILEULMFH-VMMFGDDSSA-N	308.381	3.652	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)cc1	814823388	HHCYEJAMUSVZJM-QGZVFWFLSA-N	303.365	3.612	50	20	DHGD	
Cc1c(C(=O)NNc2ccc3ccccc3n2)ccn1C(C)C	815968768	STWNDRGDUIHUAV-UHFFFAOYSA-N	308.385	3.683	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2c[nH]c3cccc(C)c23)cc1	817882622	VYZRKVJELAQBJM-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@@H]1CC2CCC1CC2	825854108	FTTYHIWUYIIXJP-GCZXYKMCSA-N	301.415	3.566	50	20	DHGD	
O=C(CCC(=O)c1ccc2ccccc2c1)NCC(Cl)Cl	837651550	RMAZQKSDDBXUMB-UHFFFAOYSA-N	324.207	3.723	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)OC[C@H](C)CBr	838115610	BMHPNAHLIAIBCG-HTQZYQBOSA-N	305.134	3.539	50	20	DHGD	
Cc1cc(Br)c(/C=C(/C#N)C(=O)OC(C)C)s1	840712845	HBJHFQNKDPBVOU-UITAMQMPSA-N	314.204	3.678	50	20	DHGD	
COCCCCN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844335983	JNYOTDPJEVNNLW-OAHLLOKOSA-N	301.547	3.899	50	20	DHGD	
Cc1ccc(C(C)(C)NC[C@H](CBr)C2CC2)cn1	859251260	BWTXWVCZDKKTBE-ZDUSSCGKSA-N	311.267	3.636	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)n1	862520444	ZQOVVLYZGJHIPE-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)C(C)(C)F)c1Br	899345938	YQZPILIGSJKVMG-YRNVUSSQSA-N	310.166	3.982	50	20	DHGD	
CC[C@H](C)C(=O)NN=C/C(Br)=C\c1ccccc1	915973558	AIOKQEPSSRTUKR-JKTSOAHRSA-N	309.207	3.571	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1c(F)cccc1Cl	916968808	KBBJSGAJPLPUFP-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2)cc1F	917565540	MVHKAZFLYZSYIZ-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
Cc1cc(NNC(=O)NCC(C)(C)CCC#N)ccc1Cl	922485994	NFASMJPPTJUQNG-UHFFFAOYSA-N	308.813	3.605	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C(C)C)s2)cc1Cl	1324205327	WZSSNLIRIIARFY-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](C(F)(F)F)C2)cc1O	1336994717	KFYXFCJHBDNDDH-LLVKDONJSA-N	314.307	3.539	50	20	DHGD	
N#C/C(=C\c1ccc(-c2cccs2)cc1F)C(=O)NC1CC1	54802019	ROYHUGLIXSUCHB-MDWZMJQESA-N	312.369	3.740	50	20	DHGD	
Cc1cccc(NNC(=O)c2sc(CC(C)C)nc2C)c1	109427264	MMLCUXJTVFFGIK-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
Cc1ncc(/C=C/C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)s1	112232909	PZVMCWRMSTYESB-SNAWJCMRSA-N	318.354	3.595	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccn2Cc2ccccc2)c1	119264329	QGHFHSDBVARLLH-UHFFFAOYSA-N	319.408	3.910	50	20	DHGD	
CSCC[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	120512607	LGTSMKYTTSTMCC-NEPJUHHUSA-N	307.550	3.958	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1ccccc1Cl	120765227	PCQKTDFREPTWRY-UHFFFAOYSA-N	304.777	3.642	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(F)cc(OC)c1)c1ccc(F)cc1	127849417	KVUTZCYKPJNBNQ-MRXNPFEDSA-N	320.339	3.610	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Cc2cccc(Cl)c2)c1	129795367	YWZKABMBODWEJW-CYBMUJFWSA-N	302.805	3.970	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC1[C@@H]2[C@H]3CC[C@@H](C3)[C@@H]12	131827820	SZCXBZFOPAVYCH-CWFCOSEVSA-N	311.516	3.861	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1cccnc1Cl	152270813	WAMOCRYCCAOKEA-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc2[nH]ccc2c1	159004802	XPYRTUBCJDLPIF-UHFFFAOYSA-N	302.284	3.595	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc2ncsc2c1	178505112	HGPOTIOODUTRLJ-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1	212141229	BPKVUFUDKQNCHS-SXGWCWSVSA-N	307.349	3.808	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CC(=O)N(Cc2ccccc2)C1	213692437	ZLQGDSWLBGJDAE-OAHLLOKOSA-N	305.494	3.809	50	20	DHGD	
Cc1ccsc1C=NNC(=O)c1cccc(Br)c1	252462570	UIBUYKJLZOSEBH-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
O=C(NN=Cc1ccc(OCc2ccccc2)cc1)C1CCC1	714428876	MATSYUMARPBDHG-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CCCCCCCC(=O)NNc1nc(-c2ccccc2)no1	728080930	QUAWUPQIMPZDPB-UHFFFAOYSA-N	302.378	3.540	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)COc1ccc(Cl)cc1	729635705	JANPNKICFLKSDR-UHFFFAOYSA-N	322.817	3.515	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1cccc(Cl)c1	729934825	BPVPXQIUWZXQND-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNc1ccccc1Cl)CC2	730132179	SMGWCNCQYUAJES-HNNXBMFYSA-N	315.804	3.962	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1	734304759	VQLNGXIPHGQUEI-CXUHLZMHSA-N	310.784	3.872	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)Cc1ccc(Cl)cc1	735269901	JHURAWZPCQSARM-ZDUSSCGKSA-N	324.852	3.636	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCC(F)(F)F	742929303	PGPYDUWHHHMTMR-SECBINFHSA-N	301.399	3.769	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1	746701692	WDWSYECNOWLADE-UHFFFAOYSA-N	324.302	3.648	50	20	DHGD	
O=C(CCc1nccs1)NNc1ccc(Cl)cc1Cl	748018646	GRYKQEZHZHSGQC-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)CC1CCCC1	749530765	MMXYFGPGTDROQY-INIZCTEOSA-N	308.466	3.711	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1cccc(Cl)c1)CC2	761447740	JMRJESGAMAGTAQ-HNNXBMFYSA-N	316.788	3.522	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1	777418853	YMPMIMCBJAQXEU-AWEZNQCLSA-N	312.417	3.536	50	20	DHGD	
C=C(C)CN(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	778122739	ULYCCQHLQZIQBV-GIJQJNRQSA-N	313.445	3.702	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc3cnccc3c2)ncn1	782353331	AOXBBXJWBPMNTA-VIZOYTHASA-N	304.378	3.811	50	20	DHGD	
CC(C)(C)OCCCCOC(=O)/C(C#N)=C\c1ccccc1	785377857	HRVHVBQGGDVJDJ-SSZFMOIBSA-N	301.386	3.732	50	20	DHGD	
COc1cc(NNC(=O)[C@H](C)c2ccccc2)ccc1Cl	790172600	YEAHFCJGEPBRPD-LLVKDONJSA-N	304.777	3.595	50	20	DHGD	
COc1cc(NNC(=O)c2c(C)oc(C)c2C)ccc1Cl	790178486	XYDSCYKMSMZPTF-UHFFFAOYSA-N	308.765	3.624	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(F)c1[N+](=O)[O-])CC(C)(C)C	791067460	UUXGOSGOQCXGDV-SNVBAGLBSA-N	311.357	3.639	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C\c1ccc(O)cc1	794951860	DLDYSVRHGXGCMB-XFXZXTDPSA-N	310.397	3.981	50	20	DHGD	
CC1(C)CCC(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	802016812	NTKXTTLFWOSXOD-UHFFFAOYSA-N	323.824	3.709	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2nccnc2C2CCC2)cc1	805464402	IKGIWDQANACRFF-UHFFFAOYSA-N	324.428	3.700	50	20	DHGD	
O=C(CCc1ccccc1O)NN=Cc1ccc(C2CCC2)cc1	814840973	WBGTZDWIAHNBSA-UHFFFAOYSA-N	322.408	3.743	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817004897	VGNCIMNYNZUOIH-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@H]2CCCC[C@H]21	817007211	QXNAYRGHTUYODA-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccnn2C(C)C)cc1	836220282	RDQRGPFXXAGPRX-UHFFFAOYSA-N	301.394	3.736	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CC(=O)c3ccccc32)cc1	837056485	AHWKIUHUEDEWEU-QGZVFWFLSA-N	308.381	3.623	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ccc(C)c(F)c2)s1	856230180	HROYUSQYLXOOEB-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NC[C@]1(C)C[C@@H]1Br	857397929	NOPZFCSZIDEVJQ-INWMFGNUSA-N	324.262	3.778	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1[C@H](C)O[C@H](C)[C@@H]1C	861791143	BSLIRCFXLXMVCP-FQLMCAECSA-N	304.434	3.621	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCOC3(CCC3)C2)cc1	897927960	LFPXCFJQIJUKKC-HNNXBMFYSA-N	302.418	3.602	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)OC(C)(C)C)cc1[N+](=O)[O-]	916266956	PZZUJEMIGUTVPX-UHFFFAOYSA-N	307.350	3.577	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)Cc2cccs2)c(C)c1	916509907	ZHVXUWJAYWYMFY-AWEZNQCLSA-N	317.458	3.931	50	20	DHGD	
CCCCCCCCCC(=O)NNC(=O)c1ccccc1F	916827460	NAUDGYLHBNJDFG-UHFFFAOYSA-N	308.397	3.727	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccc(C)s1	917027741	HKKHURLZBZJQIP-UHFFFAOYSA-N	306.818	3.793	50	20	DHGD	
O=C(NN=Cc1cccc(OC2CCCC2)c1)C1CCCC1	917548348	PQYSEHJXNXIKSQ-UHFFFAOYSA-N	300.402	3.648	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)c(F)c2)n1	920386605	COIKLEAPTJIZMR-BJMVGYQFSA-N	320.320	3.662	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1Cl	1595568022	XAZXYATWZRIGMC-GARZTLJTSA-N	305.761	3.950	50	20	DHGD	
C=Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1	1776130542	QEWDZIBCDDWNFT-WJDWOHSUSA-N	318.332	3.573	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	67427930	HAHWUKNOLKIOJJ-YHYXMXQVSA-N	315.703	3.800	50	20	DHGD	
Cc1cc(NNC(=O)c2sccc2-c2ccccc2)nc(C)n1	128761738	SVQONOZOTTVLRP-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Cc2cccc(Cl)c2)cc1	129784420	KEECUECQVNPZQP-CYBMUJFWSA-N	302.805	3.970	50	20	DHGD	
Cc1cc(F)c(C(=O)NNc2ccc(Cl)c(F)c2)cc1F	136961561	IBZKHWKRXRPKCK-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CCN(C[C@@H](O)c1ccc(C)cc1)/C(=C/C#N)c1ccccc1	159972965	GCXDOZVLAMZTAA-UMSHPIDHSA-N	306.409	3.915	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	160975528	GSICYWHXJJABGX-LGBHXNNWSA-N	320.383	3.886	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)C1	179005007	NKEFIKKMSFHMMK-QMMMGPOBSA-N	321.368	3.821	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCCCC2)c1C	198438445	LCTXJXPSYOPAFI-ATVHPVEESA-N	313.445	3.871	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	255080158	YZGFTKGNDGMNEI-KMKOMSMNSA-N	301.239	3.703	50	20	DHGD	
CN(C)CCCC1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	255670092	REYJIJGHCHFHGD-OCKHKDLRSA-N	315.436	3.744	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccsc2)c(-c2ccccc2)n1	255893971	WMTVDXWLDZUCLN-DHDCSXOGSA-N	319.389	3.938	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2ccc(OCC)cc2)c1	294484295	WONJVCMHZOETOB-UHFFFAOYSA-N	314.385	3.631	50	20	DHGD	
CC(C)(C(=O)NNc1cc(C(F)(F)F)ccn1)c1ccccc1	295334633	MFDFEGOYDSFJGQ-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
CCCCO[C@H](C)C(=O)NNc1ccnc2cc(Cl)ccc12	729515681	REUGMSCMUHHMDA-LLVKDONJSA-N	321.808	3.537	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CC(C)(c3ccccc3)C2)cc1	729635641	FPXDXTQSPREVIW-UHFFFAOYSA-N	322.408	3.598	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)CCc1ccccc1O	729934844	RMWISNGMRDKXNY-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
Cc1ccc(C[C@H](C)NC(=O)NN(C)c2ccccc2)c(C)c1	731222387	VYCABZYGVWEKAM-INIZCTEOSA-N	311.429	3.585	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1cc(F)ccc1F)c1ccccc1	731932963	SYTGVFJKLJDENF-HNNXBMFYSA-N	316.351	3.999	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cc2ccccc2o1	734249629	DLAOVEFAQDMKQX-UHFFFAOYSA-N	309.350	3.799	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCOCc2ccccc2)cc1	741126168	KPGWVHBHPDDWIQ-UYRXBGFRSA-N	321.376	3.662	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNC(=O)c1cccc2ccccc12	741576156	MLEXDAILMDNVIW-HOCLYGCPSA-N	324.424	3.817	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)c(C)c1	743766414	KNBHIAAKCPFUNJ-NQIIRXRSSA-N	320.436	3.959	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ccccc1Br)CC	748070256	KCURBGOVXDGEQO-MSRQTSMUSA-N	309.207	3.805	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCOc2cccc(Cl)c2)c1	748407446	IEFPLYOPBUTVMW-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)CCCc1ccccc1	754226712	RHXZFGDPEGICNA-OAHLLOKOSA-N	318.461	3.619	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1ccc(Cl)nc1	754470448	ZUQYTAIMZXTGJI-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
N#Cc1csc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c1	757424405	BFOVGPKHULJMFA-UHFFFAOYSA-N	324.317	3.900	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)c(C)c2)cc1	766288745	KQKUWFRYWWUVQN-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@H]1C	767357149	GFOTYUXYFZOMDW-QWHCGFSZSA-N	310.401	3.619	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2ccc(Cl)cc2)c(C)c1	774339436	GMJRAGRCPZHVMU-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1cnc2ccccc2n1	774776655	TYJHUDXASGLJSU-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)c2cccc(C#N)c2)C1	780226250	YMOMHFQOMFSMBM-HXUWFJFHSA-N	317.392	3.786	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNc1ncncc1Cl	781830863	YHNIHARBQSFOFI-LBPRGKRZSA-N	310.829	3.570	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2cc(SC)ncn2)cc1F	782355102	SEPMCCNDHSTTER-SDQBBNPISA-N	315.373	3.800	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)c1ncc(-c2ccccc2)o1	786674449	UCRHKLLOMHMZFE-ZENNRRHLSA-N	308.337	3.806	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	786833260	WULINHLQDARIAX-IZCBMXNHSA-N	300.402	3.774	50	20	DHGD	
CC[C@H](C)C(=O)NN=C[C@H](C)c1ccc(C(F)(F)F)cc1	788995259	UOAGUROVWXSUOT-QWRGUYRKSA-N	300.324	3.957	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2ccccc2nc1C	795376090	JYMWIWZDICTJOL-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
N#C/C(=C\c1ccc(Br)cc1F)C(=O)c1ccoc1	798230099	LDTABYSPLRZRIF-VZUCSPMQSA-N	320.117	3.971	50	20	DHGD	
CCCN(NC(=O)[C@H](C)c1ccsc1)C(=O)OC(C)(C)C	804592120	YOUMPBHYPHPCEP-LLVKDONJSA-N	312.435	3.530	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccccc1COc1ccccc1	808130932	CLWLGSVBLWAENM-UHFFFAOYSA-N	324.207	3.799	50	20	DHGD	
COc1ccccc1C[C@H](C)CC(=O)N(C)CC(Cl)Cl	808248903	WVXFZJIWOMHBRL-NSHDSACASA-N	318.244	3.526	50	20	DHGD	
ClCCCOc1ccc(CNCC[C@H]2CCCCO2)cc1	811489185	YNNZATJHYFDICW-MRXNPFEDSA-N	311.853	3.743	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)c1sccc1C	812241531	JJTDLPIEZPSAMD-KPKJPENVSA-N	301.342	3.994	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCC(C(F)F)CC2)cc1	814998968	GCTAFQQXOULHSC-UHFFFAOYSA-N	311.332	3.628	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)/C=C(\C)c1cccc(F)c1	816337347	PWHCGCDEPHIOMO-DHZHZOJOSA-N	318.323	3.520	50	20	DHGD	
CSCC1(CCNC(=O)NNc2ccc(C(C)C)cc2)CC1	821017404	WYTKOSPTHFHSLY-UHFFFAOYSA-N	321.490	3.969	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)c2c(C)noc2C)c(Cl)c1	836937994	UOVUAFUBNRWPON-JTQLQIEISA-N	321.808	3.890	50	20	DHGD	
CCOc1ccc(NNC(=O)NCc2ccc(CC)s2)cc1	837600572	YRVUPABHLRHCOT-UHFFFAOYSA-N	319.430	3.536	50	20	DHGD	
N#Cc1cccc(C=NNC(=O)c2cc3c(s2)CCCCC3)c1	839402262	HWIHRMUEBADOQI-UHFFFAOYSA-N	323.421	3.653	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccnn2CC(C)C)c1C	843266264	UBAOVAJRAGYZGE-MHWRWJLKSA-N	307.397	3.946	50	20	DHGD	
COc1cc(F)c(/C=C(/C#N)C(=O)C2CCCC2)cc1OC	844271466	QIMVVZUJYUDVGC-QPEQYQDCSA-N	303.333	3.509	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)c1c(C)oc2ccccc12	853428299	BEHLMCPNAVYFOO-UHFFFAOYSA-N	314.263	3.754	50	20	DHGD	
O=C(CNc1ccccc1F)NN=C1CC[C@H]2CCCC[C@H]2C1	915920171	OUUYDZGCSADFTR-KGLIPLIRSA-N	317.408	3.700	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1F	916315343	NQIMXWNZETYSGC-UHFFFAOYSA-N	320.364	3.669	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)NNc2ccccc2Cl)o1	918077391	CIVTZNKXGUVMGS-ZYHUDNBSSA-N	319.792	3.883	50	20	DHGD	
COc1ccc(C(=O)NN=C(CC(C)C)c2cccs2)cc1	1248746074	FVTSAGGRYXTIPX-UHFFFAOYSA-N	316.426	3.937	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCc2cccc(C)c2)cc1	1317978928	RXEVOMQNXLCRBX-UHFFFAOYSA-N	310.397	3.742	50	20	DHGD	
Cc1ccc(NNC(=O)c2c(F)cc(C#N)cc2F)cc1Cl	1319208429	XPLNNBYUVOTVDO-UHFFFAOYSA-N	321.714	3.555	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C(=O)O)c2)c1	1776119866	NVRPICXIXDQXDE-OQLLNIDSSA-N	320.348	3.547	50	20	DHGD	
CSc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	41725485	DUQNGAVLRKYKOC-JLHYYAGUSA-N	310.378	3.660	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(F)cc1Cl	118513066	CQGXQNUGCSSCRP-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
O=C(CSc1nc2ccccc2s1)NNc1ccccc1	120459872	NJEOZLPHWFCYIZ-UHFFFAOYSA-N	315.423	3.532	50	20	DHGD	
CSCc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1	126625703	NINCNKXJBFQUBE-UHFFFAOYSA-N	300.427	3.923	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cccc(OC3CCCC3)c2)cc1	155308074	RQIZCKYQLKDMSD-UHFFFAOYSA-N	321.380	3.637	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1cccc2cnccc12	178527247	QOZUXCXFWUPFPW-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)cc(OC)c1O	212130998	PWLLWRVMJJMCDU-ZSOIEALJSA-N	323.348	3.508	50	20	DHGD	
O=C(/C=C\c1ccccc1)NNc1cccc(C(F)(F)F)c1	255366599	ZQVMVBIMDZSDFT-KTKRTIGZSA-N	306.287	3.862	50	20	DHGD	
O=C(/C=C\c1cccs1)NNc1ccc(OC(F)F)cc1	255868144	XFCFXBPJLFPMTI-FPLPWBNLSA-N	310.325	3.506	50	20	DHGD	
COc1ccc(NNC(=O)C2(Cc3ccccc3)CCC2)cc1	268171934	JYDVAJLBAMECDT-UHFFFAOYSA-N	310.397	3.551	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(Cc1ccccc1Cl)CC1CC1	286924127	LCCZAIZBYSKIGK-NTCAYCPXSA-N	318.804	3.523	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)c(F)c1)c1ccccc1	490693039	IFFZNBYHOXALGT-IUYQLWOBSA-N	324.355	3.706	50	20	DHGD	
CCCN(N=Cc1csc([N+](=O)[O-])c1)C(=O)OC(C)(C)C	496511465	HQSSOWZXGLFZKP-UHFFFAOYSA-N	313.379	3.637	50	20	DHGD	
CCc1nc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)sc1C	588429729	PADUCJHKHCFRHY-XYOKQWHBSA-N	315.373	3.699	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc(Cl)s1	734250563	YBDCSNIOMAMGPB-UHFFFAOYSA-N	309.803	3.768	50	20	DHGD	
CC[C@@H](C)[C@@H](C(=O)NNc1ccc(OC)cc1)c1ccccc1	746886022	FCJHIUQAQGLCLR-RDTXWAMCSA-N	312.413	3.968	50	20	DHGD	
CN(C)c1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752810706	SVZVEXYWZSIGHM-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)c1c[nH]c2ccccc12	755486762	AJMDUEITLLKWKN-ZBFHGGJFSA-N	303.365	3.687	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)cc1	755660367	BBGYAEQOPORCNP-HKUYNNGSSA-N	322.408	3.534	50	20	DHGD	
COc1cc(/C(C#N)=C/c2ccc(C#N)cc2)ccc1[N+](=O)[O-]	766779733	UCCYYOYPEDIPAE-OVCLIPMQSA-N	305.293	3.539	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)OC[C@@H](C)CBr	770383402	UHHNUIZLWGOCMN-QWRGUYRKSA-N	317.198	3.579	50	20	DHGD	
C=CCC[C@@H](NC(=O)NNc1ccc(F)cn1)c1ccccc1	772033604	QIVHUXPKXMVFAA-OAHLLOKOSA-N	314.364	3.554	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2ccc3c(c2)OCO3)CC(C)(C)C1	779758995	YMNFXWJWIQLASV-UHFFFAOYSA-N	316.401	3.737	50	20	DHGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)CC1CCCC1	782224433	JLCBDZJBRFKMKX-UHFFFAOYSA-N	301.365	3.646	50	20	DHGD	
CC1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCCCCC1	787496557	WHRFSDBJXDDSCM-VBKFSLOCSA-N	312.413	3.776	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Sc1ccccc1Cl	791097977	RMZODNRIFNXYDG-VIFPVBQESA-N	321.920	3.948	50	20	DHGD	
CN(C)Cc1cnc(/C=C(\C#N)c2ccc3ccccc3n2)s1	794700069	OWNPIWKJPHDFNA-NTEUORMPSA-N	320.421	3.817	50	20	DHGD	
C=C(CBr)COC(=O)C(C)(C)c1ccccc1C	795476951	PDKWUNDISLGDTL-UHFFFAOYSA-N	311.219	3.767	50	20	DHGD	
N#CCCN(Cc1ccc(OCCCCl)cc1)CC1CC1	811462112	UVQRYVMGAMYFIM-UHFFFAOYSA-N	306.837	3.820	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245177	QYCCWOQWSPWZKI-UVTDQMKNSA-N	309.325	3.843	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(Cl)c(N)c1	814688092	IXYHIGCLCJMBON-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
CC(C)O[C@@H](C(=O)NNc1cccc(F)c1F)c1ccccc1	815856787	APYMFGLLSJWBPC-MRXNPFEDSA-N	320.339	3.574	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3cccc(Cl)n3)oc2cc1C	817006506	MLRKEWNZJHCRMN-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc2ccccc2cc1O	825117258	VUXBUTMUWJGDKY-UHFFFAOYSA-N	312.756	3.956	50	20	DHGD	
CCc1onc(C)c1NC(=O)NNc1ccc(C(C)C)cc1	836481619	ULOJTXUNEVTTLZ-UHFFFAOYSA-N	302.378	3.817	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@H]2OC(=O)c3ccccc32)cc1	837058544	QTZKEKHXFWRAAE-QGZVFWFLSA-N	324.380	3.555	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H]1CCCC(F)(F)C1	838524526	XSBZNOIZKURNHE-JTQLQIEISA-N	317.767	3.852	50	20	DHGD	
CCc1noc(C)c1CN(C)CCO[Si](C)(C)C(C)(C)C	844343765	MDUHWWHVXURJAY-UHFFFAOYSA-N	312.530	3.999	50	20	DHGD	
Cc1ccc(-n2cc(C=NNC(=O)CC3CCCC3)c(C)n2)cc1	848404074	JFXMNZMQVFIGFV-UHFFFAOYSA-N	324.428	3.520	50	20	DHGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNc1ccc(Cl)cn1	852165951	ARNFLCURSHXHHP-VXGBXAGGSA-N	318.808	3.553	50	20	DHGD	
CC(C)C#CC(=O)NNc1c(Cl)cc(Cl)cc1Cl	854135095	SROIAKOWXYLOIE-UHFFFAOYSA-N	305.592	3.749	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1cccc(F)c1Cl	862507464	FRLSPGPCPVJWBX-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](c2cccc(Cl)c2)C(C)C)n1	862522557	YJWMREHPJYWDDM-MRXNPFEDSA-N	317.820	3.926	50	20	DHGD	
C[C@]1(C(=O)Nc2ccc(C(F)F)cc2)C[C@H]1Br	885582788	NMKKQCURJPQQMF-SKDRFNHKSA-N	304.134	3.736	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)c2nc(N)c3ccccc3n2)s1	1319090567	RSYVVIBCNJFOFP-XFFZJAGNSA-N	321.409	3.856	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)ccc1F	1319478036	GTMRGUONMCLVOG-UKTHLTGXSA-N	303.333	3.617	50	20	DHGD	
N#Cc1c(NC(=O)CCl)sc2c1-c1ccccc1CC2	1323270640	ZUERQTXUGALSNG-UHFFFAOYSA-N	302.786	3.563	50	20	DHGD	
Cc1cccc([C@@H]2CCCN2C[C@H](CBr)C2CC2)n1	1328757478	ZOHIMPZYIVPNML-HOCLYGCPSA-N	323.278	3.948	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccn(-c2ccccc2)n1	1337154706	ASEKQZDCYQHLBF-DTQAZKPQSA-N	313.360	3.971	50	20	DHGD	
CC(CCC(F)F)=NNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1	1549905027	PHCAMVKHRPGHHB-GOEBONIOSA-N	324.371	3.692	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1C(=O)O	1777287432	KPOFPYVXADGSES-SDQBBNPISA-N	314.366	3.531	50	20	DHGD	
O=C(CSc1ccccc1Cl)NNc1ccc(F)cc1	45970668	JFFUDLUBXFYRLG-UHFFFAOYSA-N	310.781	3.715	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)CC1CCCCCC1	78396576	JKUGNYGGQVTENO-UHFFFAOYSA-N	303.406	3.508	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2ccccn2)c1OC(F)F	82068035	PHZBTHKJESHIJN-XFXZXTDPSA-N	302.280	3.756	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	92844291	XWOIEBFLQUWLAO-LFIBNONCSA-N	307.397	3.999	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ccc(F)cc2F)cc1	113432447	BWQNDDLLYSHNBC-NSHDSACASA-N	304.340	3.774	50	20	DHGD	
Cc1ccccc1NNC(=O)C1(c2ccc(Cl)cc2)CC1	120289086	JFQNFQCVVPLRTJ-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
CSC[C@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	126352177	GYHSXXMGXSUMPD-LURJTMIESA-N	311.209	3.575	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)Nc1cccnc1	132478629	GEXBMACZSVCCGP-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1c(F)cccc1Cl	133488724	ZNZDJIRNIDPWQM-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	152166312	YQQCBGRGKVZYMD-OQFOIZHKSA-N	322.677	3.526	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1CCCc2sccc21	158214497	NFIDFVZTDJJDTQ-LLVKDONJSA-N	306.818	3.965	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ccc(F)cc2C)s1	160802080	OZYUJEJXQWUPHU-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	171019490	SRMALHYZDOYOHG-VCHYOVAHSA-N	307.397	3.844	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2c(c1)CCCC2	181112211	ZCMWEJOSSQJVOF-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1cc2ccccc2s1	189603611	NTJRCTUIZIMFME-BVRAVYJCSA-N	300.383	3.522	50	20	DHGD	
COc1ccccc1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	207894293	JQDCUZSUFYWCDU-UVTDQMKNSA-N	302.333	3.966	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccccn2)c1C	210193443	PVVQYTMTDJGMTC-BOPFTXTBSA-N	323.396	3.560	50	20	DHGD	
N#C/C(=C/c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)O	211377978	DHCOQAZDRODVKV-XFXZXTDPSA-N	321.361	3.592	50	20	DHGD	
Cc1nc2c(s1)[C@H](N(C)C[C@H](C)CBr)CCC2	248731787	QDWCQLLWOUZWCT-BXKDBHETSA-N	317.296	3.792	50	20	DHGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)N2CC=C(C#N)CC2)c1	271169416	XFWLOMIKWPKFCG-OAHLLOKOSA-N	312.413	3.568	50	20	DHGD	
CSCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	491158191	DDLYRJRHHMYOLA-XNTDXEJSSA-N	324.405	3.801	50	20	DHGD	
CCCN(N=C(C)c1c(CC)noc1C)C(=O)OC(C)(C)C	496745128	JHBYQSDQRMKJJK-UHFFFAOYSA-N	309.410	3.917	50	20	DHGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)C(C)(C)C	588506683	BLRQNWGLHMETLY-FLIBITNWSA-N	322.202	3.980	50	20	DHGD	
CC(C)CC(CC(C)C)NC(=O)NNc1cccc(C#N)c1	729058224	UFHWHZAADVGPGK-UHFFFAOYSA-N	302.422	3.645	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)C2CCCC2)cc1	737500493	HKGRVIRMLLCKTK-CQSZACIVSA-N	316.445	3.641	50	20	DHGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1cccs1	738540025	FKTLANLUDLKWTL-VIFPVBQESA-N	303.412	3.605	50	20	DHGD	
C[C@@H]1CCCCC1=NNC(=O)c1cccc(Br)c1	741769895	OILIWESNRQXRKF-SNVBAGLBSA-N	309.207	3.745	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCOC1	741837375	JCNBXJSWYTYZOT-SECBINFHSA-N	315.200	3.526	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cncn2-c2ccccc2)c(C)c1	743762618	DHGPBFHIJYNVMV-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1cccc(Cl)c1	747051623	QKLKBLDEVXTRKU-UHFFFAOYSA-N	316.788	3.649	50	20	DHGD	
CCC(=NNC(=O)CCOc1ccccc1)c1ccc(C)cc1	747058971	BVKQRGWFLYMPGF-UHFFFAOYSA-N	310.397	3.694	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(Br)cc2)c1	747831196	OAXFAXOULBLTTM-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2cccc3c2CCCC3)c1	748589390	ZROCLANHZQZZCM-UHFFFAOYSA-N	308.425	3.868	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2C)c1C	751992130	NFGPAQKXKPMKKK-QCUKBLKESA-N	313.445	3.823	50	20	DHGD	
CC(C)C[C@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	752020863	WADIJNZIQHRPHZ-ZDUSSCGKSA-N	317.882	3.571	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)c1cc2c(s1)CCC2	755532355	QESXZVHWBHOZHN-HUUCEWRRSA-N	310.422	3.756	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cccc2[nH]ccc12	755698077	OABKHLSOQHTWHH-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc(C)ccc1OC(F)F	756783074	IFTIERAJIIJDMD-UVTDQMKNSA-N	322.355	3.810	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2cc3ccccc3s2)c1	758370151	MCYOFJZPCOWNDC-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)o1	760248998	RMFCCSCIFBYJPV-UHFFFAOYSA-N	311.168	3.913	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(Cl)cc1F	770315713	BHYFZKMGHDVCJY-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
O=C(NCC(C1CC1)C1CC1)NNc1c(F)cccc1Cl	771332754	XQNVYOMPSQKMKS-UHFFFAOYSA-N	311.788	3.541	50	20	DHGD	
N#C/C(=C\c1cscc1Cl)c1nnc2n1CCCCC2	771843425	ZMASYJNJRJNSKV-UXBLZVDNSA-N	304.806	3.784	50	20	DHGD	
O=C(NN=C1CCCNc2ccccc21)c1cccc(Cl)c1	774337165	SAJMASRKIXABBI-UHFFFAOYSA-N	313.788	3.680	50	20	DHGD	
COc1ccc2nc(NNC(=O)Nc3ccccc3)c(C)cc2c1	778076022	WJEYRDXODXFKAD-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccccc2OC(F)(F)F)C1	779201430	ZAGPUZWPHUKUCR-QWRGUYRKSA-N	316.323	3.855	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(Cl)c1OCC	779754005	ZMHHWZXVOHBWAL-RAXLEYEMSA-N	306.793	3.562	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/C=C/c2ccccc2)c1	786056760	QYWHJOZSOXYHSR-ATFGCDJJSA-N	302.377	3.775	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(C#N)c1)c1c[nH]c2ccccc12	787458527	NWKSWJGUOHZGTM-CYBMUJFWSA-N	318.380	3.676	50	20	DHGD	
CSSCCNC(=O)c1cncc(-c2cccc(C)c2)c1	791116938	RAXFCPPRKAFFLK-UHFFFAOYSA-N	318.467	3.798	50	20	DHGD	
CSc1ccccc1CN(C)C[C@@H](C)CBr	791600325	XOORSOOLWIWBPN-NSHDSACASA-N	302.281	3.871	50	20	DHGD	
CCCN(N=C(C)c1ccc(O)c(OC)c1)C(=O)OC(C)(C)C	794998788	VRRNKYSMXYHZKF-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1ccc2ccccc2n1	799463536	AULBFRPFQWEVRU-UHFFFAOYSA-N	317.339	3.776	50	20	DHGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1cccnc1Cl	810494506	UDPWZPWXSOVIOX-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cnnc(-c2ccccc2)c1	810684295	SEMXHRAHWGUMFE-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
N#CSCCCNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	816538909	LYEGBLYTSRBOLY-DLBZAZTESA-N	310.422	3.664	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1	817904811	RPUNKTOXCFNTFX-UHFFFAOYSA-N	323.396	3.940	50	20	DHGD	
C[C@@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCCCO1	837508138	NZXZQDGVCUSDLW-ZDUSSCGKSA-N	321.179	3.535	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Br)c1)[C@@H]1C[C@@H]1C	841627012	XVKUSOPDTKAFEJ-JOYOIKCWSA-N	309.207	3.601	50	20	DHGD	
CC[C@@](C)(C#N)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377403	SNIQFHWYUFNDEO-LBPRGKRZSA-N	319.714	3.742	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C3CC3)cnn2C)cc1C	849251011	XVAVRXMOXFTTMV-SXGWCWSVSA-N	305.381	3.704	50	20	DHGD	
C[C@H](CCc1ccsc1)NC[C@]1(C)C[C@@H]1Br	857064040	BSCOTEONTNQOMT-WXHSDQCUSA-N	302.281	3.832	50	20	DHGD	
CC[C@H](NC(=O)NNc1cc(Cl)ccc1C)c1ccncc1	920178293	MUPCMNIMDXYLBG-AWEZNQCLSA-N	318.808	3.821	50	20	DHGD	
CC1CCN(CCC(=O)NN=C2CC[C@H]3CCCC[C@H]3C2)CC1	1115814375	SAEJHOSDFOSYFK-SJORKVTESA-N	319.493	3.571	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C	1319717933	ONPLVCQRCOBYMR-UVTDQMKNSA-N	307.397	3.816	50	20	DHGD	
CCc1c(NC(=O)C2CCC(Cl)CC2)cnn1CC(C)C	1347082714	UTOWHMXXQYPIAB-UHFFFAOYSA-N	311.857	3.838	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1OC	8200676	XAFWBFVJHDONCT-GXDHUFHOSA-N	309.321	3.643	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)N[C@@H](c1ccccc1)C(C)(C)C	46897318	ZQWATKADRRDYQT-ZDUSSCGKSA-N	321.421	3.513	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)Cc1cccc(F)c1	119137882	JCHJEEPJQRBQFD-GFCCVEGCSA-N	304.340	3.595	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc2ccccn2c1	119989344	MNJMAOGGJVAFGU-UHFFFAOYSA-N	305.381	3.575	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccccc2F)cc1	153198696	RGYLYVLVQDESOX-LBPRGKRZSA-N	302.349	3.760	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCCCC[C@@H]1c1ccc(CC)o1	159641781	MSPGZLPTZMPFKU-OMACXJQVSA-N	316.401	3.730	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1	192590079	NRLIBMZDYYZGDF-WYMLVPIESA-N	323.352	3.565	50	20	DHGD	
Cn1c(/C(C#N)=C/c2cnn(C(C)(C)C)c2)nc2ccccc21	193339985	VWDJLCDABIKMGV-NTEUORMPSA-N	305.385	3.589	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccc(Cl)nc2)sc1C	266539920	OWEOWLQTNBMTIQ-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)C)c(Br)c1	285610603	VAPKQFDJCAGOBC-IZZDOVSWSA-N	308.175	3.590	50	20	DHGD	
C[C@H](c1ccccc1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490880657	VTPRKKIFJFKTSX-RFRKOGIWSA-N	306.365	3.519	50	20	DHGD	
CCCN(N=C1CC[C@H](C(=O)O)[C@H](C)C1)C(=O)OC(C)(C)C	496837987	MLZPAYYGCNYVBW-YPMHNXCESA-N	312.410	3.510	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1oc2ccc(OC)cc2c1C	729141837	HSGLJTKMVDEVOC-SNVBAGLBSA-N	302.374	3.636	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	729638192	FIDYZRNMUDXEHX-NCOADZHNSA-N	321.424	3.570	50	20	DHGD	
N#C/C(=C/c1nccc2ccccc12)c1nnc2n1CCCCC2	740764464	WEXVEFRXNHRYIL-QINSGFPZSA-N	315.380	3.617	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc(C)c2[N+](=O)[O-])c(C)c1	743763458	KGVICQAVJNUZRY-UHFFFAOYSA-N	313.357	3.585	50	20	DHGD	
COc1ccccc1C(=O)NN=C[C@H](C)CCc1ccccc1	749164912	QUJWRDPOSVTSHH-OAHLLOKOSA-N	310.397	3.680	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)c3ccc(C#N)cc3)oc2cc1C	749816074	WOXCGFOQBORTQJ-UHFFFAOYSA-N	317.348	3.685	50	20	DHGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C(C#N)=C\c1ccc(F)cc1	751456860	WSQQHXYDLHDGLN-QMDZLVRISA-N	320.367	3.845	50	20	DHGD	
CCOc1ccc(N(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	752437090	HNSFSAIIPUODFR-QINSGFPZSA-N	324.355	3.794	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C(C)(C)C1CCCC1	757935505	HDONTWYOBGQWTK-UHFFFAOYSA-N	307.346	3.725	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc(F)cc3cccnc23)cc1	760233528	JYXJFXXZWUCCES-UHFFFAOYSA-N	321.355	3.700	50	20	DHGD	
C/C(=C\C(=O)NNC(=O)Cc1ccc2ccccc2c1)C(C)(C)C	762793760	MNZOCCYEIUJHQV-SDNWHVSQSA-N	324.424	3.522	50	20	DHGD	
CC[C@@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768167672	WDWZASULHAHNOC-VXGBXAGGSA-N	304.272	3.835	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cncc2ccccc12	768319143	GTGBYNVOLSYCLF-CYBMUJFWSA-N	321.218	3.983	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2ccccc2cc1O	771706394	CNEQVOPXLKZTQL-UHFFFAOYSA-N	310.328	3.750	50	20	DHGD	
C=CC[C@@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	779009904	FRUUDNDYHRECAM-CYBMUJFWSA-N	302.324	3.768	50	20	DHGD	
O=C(NCc1ccccc1N1CCCCC1)NNc1ccccc1	779383406	NENPBBAGHCIXQO-UHFFFAOYSA-N	324.428	3.503	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)NC1CCCCC1	780157290	YMDVSZIXAHYQLJ-QGZVFWFLSA-N	311.470	3.646	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C[C@@H]1CCCC[C@@H]1C	783813226	JZWWNYAQHSDELF-IHRRRGAJSA-N	306.381	3.521	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	784685013	WLIBOFKDXMPBQD-GFCCVEGCSA-N	323.393	3.653	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc(OC(F)F)cc1	786676439	SBGXLHIUOGHGAJ-AAIQCTMTSA-N	307.296	3.752	50	20	DHGD	
CSSCCNC(=O)[C@H](C)c1ccccc1C(F)(F)F	791113293	BUCIQYBZIUVWJT-SECBINFHSA-N	323.405	3.936	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@@H](CC#N)c2ccccc2)c1	793705676	GALCWXWBXFOJSJ-QGZVFWFLSA-N	307.397	3.834	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2[nH]ncc12	794953681	KCXGGJXOJFAZOU-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(SC(F)(F)F)cc1	808131048	FUSWRTKHSJDLOQ-UHFFFAOYSA-N	318.147	3.832	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cn1ccc2ccc(Cl)cc21	808247029	QXZDWDQNQMHLFL-UHFFFAOYSA-N	319.619	3.557	50	20	DHGD	
O=C(CCCC1CC1)NNc1ccc(F)cc1Br	812536984	VNMOPUCAPWGDHL-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2c(c1)ncn2C	812765276	CEYRXPGCVYVEBC-UHFFFAOYSA-N	322.412	3.762	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1cccc(C(F)F)c1	814630104	QLWSXNZHRLDHIN-UHFFFAOYSA-N	312.707	3.821	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccsc2C)cc1	814753144	GZNBFCOSTBXJFI-UHFFFAOYSA-N	304.440	3.607	50	20	DHGD	
COc1cc(C#N)ccc1C(=O)NNc1c(C)cccc1C(C)C	820008037	GKLTXUVRIINZCQ-UHFFFAOYSA-N	323.396	3.756	50	20	DHGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNc1ccccc1	825131047	OTISZLOSXCURTN-PVAVHDDUSA-N	304.434	3.607	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)CCCc1ccccn1	836933608	HWRKFCFRCOURJS-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccn(C3CCCC3)n2)cc1	837053511	FAENZAKREBBSPC-UHFFFAOYSA-N	312.417	3.879	50	20	DHGD	
Cc1csc(CCC(=O)NNc2ccc(C(C)C)cc2)n1	837058004	IURYJSKDIWAALW-UHFFFAOYSA-N	303.431	3.651	50	20	DHGD	
CCO[C@@H]1CCC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	837139044	GTSQBBLBDYKEQV-MGPQQGTHSA-N	317.520	3.774	50	20	DHGD	
C[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)C1CCC1	839480812	JLTQHBHXCORELF-SNVBAGLBSA-N	303.793	3.768	50	20	DHGD	
O=C(CSC1CC1)NNc1ccc(Cl)c(C(F)(F)F)c1	846376883	JCVYHJZVCOVFJH-UHFFFAOYSA-N	324.755	3.698	50	20	DHGD	
COc1ccc([C@H](C)NC[C@]2(C)C[C@H]2Br)cc1F	851894253	XDGCMRQUNYHHRD-FZZIBODNSA-N	316.214	3.658	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(Cl)cn1)c1ccccc1	856094910	ZTSSXWXIPBGSJK-CQSZACIVSA-N	303.793	3.762	50	20	DHGD	
CO[C@H](c1ccccc1)[C@H](C)NC[C@]1(C)C[C@H]1Br	857083457	WURDMASPURHSFZ-ATGSNQNLSA-N	312.251	3.526	50	20	DHGD	
CSSCCNC(=O)CCc1ccc(Cl)c(F)c1	861577248	IMECZMAXGWWDPX-UHFFFAOYSA-N	307.843	3.539	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@H]2C[C@@H](C)c3c(C)cccc32)n1	862520603	HAZCFMAHKAEXNQ-UKRRQHHQSA-N	309.413	3.823	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)nc1	912579334	WEGYMZYMAWJLKS-AWEZNQCLSA-N	320.509	3.626	50	20	DHGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2F)c1	917623793	XTRRRPKQAUNWKU-GXDHUFHOSA-N	306.296	3.518	50	20	DHGD	
CCc1ccc(C(=O)NNc2cc(F)cc(OC)c2)cc1CC	1116468330	GOGUFJCGWFFZOQ-UHFFFAOYSA-N	316.376	3.716	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](c3cccnc3)C2)cc1O	1119357013	AGDXUASNUZOLNC-AWEZNQCLSA-N	323.396	3.539	50	20	DHGD	
CCOc1ccccc1C(C)=NNC(=O)c1ccccc1Cl	1317697862	JWLQIHNOQCEVSF-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
Cc1cnc(C(C)(C)NC(=O)c2cccc(CCl)c2)s1	1335839783	JXJKGVLBTGZTBU-UHFFFAOYSA-N	308.834	3.855	50	20	DHGD	
CCCCn1ncc(NC(=O)c2cccc(CCl)c2)c1C	1336404659	HOYFHTUEGAHVSA-UHFFFAOYSA-N	305.809	3.983	50	20	DHGD	
O=C(NCCc1cc2ccccc2o1)C1CCC(Cl)CC1	1348948176	DQMNCPWHNISVGK-UHFFFAOYSA-N	305.805	3.889	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(/C=C/C(=O)O)o3)[nH]c12	1777448321	VSXOKDWECGPCNY-GHYOLMRSSA-N	319.320	3.626	50	20	DHGD	
Cn1cc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)cn1	96998131	PXHRIUBUAZGCOF-WMZJFQQLSA-N	300.774	3.747	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc3c2CC[C@H](C)C3)cc1	120441813	FLNNSIGUDDBMAF-LBPRGKRZSA-N	300.427	3.938	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2cccc(C(F)(F)F)c2)cc1	120467752	YMKSXKKDXSYYCY-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
C[C@H]1CCc2c(sc3nc(C(Cl)Cl)[nH]c(=O)c23)C1	125355221	UQLQBICKGAXBAS-YFKPBYRVSA-N	303.214	3.586	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1cccc(Cl)c1OC(C)C	159598365	PCERKUMEFYFYBE-LUAWRHEFSA-N	308.765	3.510	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(C#N)cc1)c1cccc(Cl)c1	178945707	RAINZOGBXYODSH-FMIVXFBMSA-N	311.772	3.758	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc2[nH]ccc12	179817370	WNQIRCOMTWHCHC-UHFFFAOYSA-N	323.381	3.926	50	20	DHGD	
C[C@H](CCC(C)(C)C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	194674596	IUTBOWHWBSVLMD-LKKYZFDUSA-N	300.402	3.630	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCC[C@H](C(F)(F)F)C1	265417333	DRQFBWPOXGZITH-IUCAKERBSA-N	322.277	3.777	50	20	DHGD	
CSSCCNC(=O)c1ccc(CCC(F)(F)F)cc1	283964118	GRCQZZAWTGJNBI-UHFFFAOYSA-N	323.405	3.923	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1cccs1	490910386	QSHRHPQNWWCFCN-SYCZXOQXSA-N	324.405	3.724	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccn1CC)c1ccccc1	490975004	OJETUZLOCYZTJV-ZUTYSQTGSA-N	307.397	3.682	50	20	DHGD	
COC(=O)N(C)N=C1CCCOc2c1ccc(Cl)c2Cl	495677078	LHSMIPGPYNAOLQ-UHFFFAOYSA-N	317.172	3.568	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCSCC)c1C	727629706	GAIRXLWZNZXBAY-WJDWOHSUSA-N	320.458	3.718	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)OC1CCCCC1	728052580	QKAPCAWIZRUJHU-IZZDOVSWSA-N	309.287	3.887	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)c1cc(F)ccc1Br	728438392	WCZKWBZCFLGFKP-MRVPVSSYSA-N	315.186	3.740	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccnc2Cl)c1C	728696111	NGNWMFKILWYVKB-NTEUORMPSA-N	311.772	3.898	50	20	DHGD	
COc1ccc2oc(C(C)=NNC(=O)c3ccccc3)c(C)c2c1	729140366	DEHSESSFISZGMW-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
C[C@H]1CCCC1=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	729143166	DBWKHBAXMYSLAQ-KBPBESRZSA-N	310.397	3.899	50	20	DHGD	
C[C@H]1CCCC1=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	729143169	DBWKHBAXMYSLAQ-UONOGXRCSA-N	310.397	3.899	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNC(=O)C1CCCC1	733218730	VOKMFSGUCDVQKQ-INIZCTEOSA-N	308.466	3.711	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(-c2ccc(F)cc2C)o1	734296317	RBMHHZGKHYYKIB-UHFFFAOYSA-N	317.364	3.827	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1nc(-c2ccccc2)no1	742658024	IZYZBWFGDCBQBB-ZDUSSCGKSA-N	316.405	3.786	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(F)cc2F)CCc2ccccc2C1	743336906	QHWHZPGTIAASQA-SFHVURJKSA-N	316.351	3.603	50	20	DHGD	
Cc1cc(C=NNC(=O)OC(C)(C)C)c(OC(F)F)cc1C	743420731	OFAVETFVJYSGOU-UHFFFAOYSA-N	314.332	3.763	50	20	DHGD	
CCC(=NNC(=O)c1cc(Cl)ccc1O)c1cccs1	744774219	ZBWUKRRIZCDWIV-UHFFFAOYSA-N	308.790	3.651	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(C#N)cc1)CCc1ccccc1	749158466	SCSMCSUNXISPTL-OAHLLOKOSA-N	305.381	3.543	50	20	DHGD	
Cn1nnc2cc(/C=C(\C#N)c3ccc4ccccc4n3)ccc21	751031795	LSBKBYPUONRXRA-XNTDXEJSSA-N	311.348	3.581	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1C[C@H]2CC[C@H]1C2	754151158	YZACCKNSXVAUEX-ATZCPNFKSA-N	316.298	3.724	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)NNC(=O)CC1CCCC1	755401028	NHIKSTFLTRAXBE-UHFFFAOYSA-N	317.433	3.544	50	20	DHGD	
CC(C)(C)CC=NNC(=O)c1ccc(F)cc1Br	755654306	IOCHAAJILRLJRP-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnc2ccsc2c1	771707956	VKGSZNSRONUGQQ-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)CC[C@H](C)c1ccccc1	772845965	WSTZXLMZHNFPHC-AWEZNQCLSA-N	312.417	3.627	50	20	DHGD	
C[C@@H](Cc1cccs1)NC(=O)[C@H](Br)C(C)(C)C	781090174	YOSWDVOAGHIPRE-ONGXEEELSA-N	318.280	3.605	50	20	DHGD	
CC(C)[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	781795823	XNAILVIDWSLZOQ-VGVSSDJJSA-N	300.377	3.627	50	20	DHGD	
CCCC[C@H](CCC)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787410389	WUGNKRYEZNZSFD-IRVMHKCDSA-N	300.402	3.774	50	20	DHGD	
CSSCCNC(=O)c1ccc(SC(C)C)cc1	791113955	SRRVSAMBXRTGAR-UHFFFAOYSA-N	301.502	3.928	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(Cl)n2)cc1	793234658	ARHPJVNAILIMBV-SDQBBNPISA-N	318.785	3.755	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)ccc1C#N	799498097	FERLTOLPQCWWPV-LNKIKWGQSA-N	324.286	3.635	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCc2ccc(OC)cc21	799755512	MILFXVTXDYERSU-KRWDZBQOSA-N	324.424	3.739	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cnc(C(C)(C)C)nc2)nc2ccccc21	806565528	NTGPXRTXHFIAFW-ZROIWOOFSA-N	317.396	3.725	50	20	DHGD	
N#C/C(=C\c1cccc2nccn12)c1cc(C(F)(F)F)ccn1	812246530	NQRCXEFIWNYWHW-DHZHZOJOSA-N	314.270	3.812	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CN(C)c1ccccc1	812769234	XRMCIFSLEYANPY-UHFFFAOYSA-N	311.429	3.698	50	20	DHGD	
O=C(NN=C1CC(c2ccccc2)C1)c1c[nH]c2ccccc12	814699887	SZHFGPZYWHWLLE-UHFFFAOYSA-N	303.365	3.831	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)c2ccc(CC)cc2)cc1	817925536	IBESYDVIRMSICX-CQSZACIVSA-N	312.413	3.895	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCC(F)(F)C2)cc1F	854040097	RIPJVFLIHYTLAI-NSHDSACASA-N	315.339	3.586	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CCCOCc1ccccc1	855367214	MYNSXLWTGLBGJQ-UHFFFAOYSA-N	316.376	3.574	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ncccc1Cl	859638845	ROKZWGLDWUNTJQ-SNVBAGLBSA-N	320.614	3.588	50	20	DHGD	
CC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	865945263	WSCVPLNFFRPIPJ-JVVDOCDTSA-N	315.461	3.973	50	20	DHGD	
Cc1ccc(NNC(=O)CSCc2ccc(F)cc2)cc1	912593964	CYXVMJHVFGIRMY-UHFFFAOYSA-N	304.390	3.511	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C[C@H](C)c2ccccc2)c1C	916336630	KWRXNMGJASOWMQ-DOTOQJQBSA-N	324.424	3.976	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnc(C3CC3)c2)cc1Cl	1325204181	RAYAJUGTSDMJPL-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(C(=O)O)c1F)C1CCCCC1	1592251406	BYGCWKLIFJBRJG-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CC2CCCCC2)cc1C	6574408	JPUQMHRPBSPJJW-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	16499761	UYFRHTQGXOOBHB-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
COC(=O)/C(C#N)=C\c1ccc(OCc2ccc(C)cc2)cc1	40889041	HOFPIEKRYZKEQE-BOPFTXTBSA-N	307.349	3.654	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1ccc(Cl)cc1F	91985178	VJGWLDVHXAWSAA-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(F)c(F)c(F)c1	103067269	INOHHGUHALAACD-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc2[nH]ccc2c1	107761585	PRRZXJYUTGBFLP-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(Br)c(C)c2)c1	114888637	RVFSHYXOVPICPY-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCC[C@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	118515213	UHBWOBVXODWQND-ZDUSSCGKSA-N	304.340	3.992	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)Oc1ccc(F)cc1	119032952	VFEKSRMJNCNSTL-UHFFFAOYSA-N	320.339	3.574	50	20	DHGD	
C[C@]1(c2ccccc2)CN(/C(=C/C#N)c2ccccc2)CCO1	121281355	CQMGXFZRHIDPRJ-QDDTUJKSSA-N	304.393	3.799	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2ccccc2OC(F)F)c1	159067780	FDNILHIEFGRYNH-UHFFFAOYSA-N	320.339	3.591	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccc(F)cc2)cc1	175302692	JOIBNZHMPFEPKM-GFCCVEGCSA-N	302.349	3.760	50	20	DHGD	
N#C/C(=C/c1cccc(Oc2ccccc2)c1)C(=O)NC1CC1	211557427	QGMVBAWJCOJFIC-PTNGSMBKSA-N	304.349	3.664	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1ccc(N2CCCCC2)cc1	252610781	IDNCAOFUIZKWIP-UHFFFAOYSA-N	301.434	3.563	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	266565401	WMJLARGFIWOBQQ-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
CCc1ncc(NC(=O)CCCC[C@@H]2CCSS2)cn1	269567886	GEKUGOBQXJHQBZ-GFCCVEGCSA-N	311.476	3.692	50	20	DHGD	
C[C@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC=C(C#N)CC1	272702436	UVRWZDMSCCUZIP-LLVKDONJSA-N	323.223	3.854	50	20	DHGD	
CO[C@@H]1CCCN(Cc2ccc(OCCCCl)cc2)CC1	368219445	BDODTIIIJQWBDY-MRXNPFEDSA-N	311.853	3.695	50	20	DHGD	
CC1=CC(=NNC(=O)CCSc2ccc(F)cc2)CCC1	727256946	QUTHXQKMGZANOI-UHFFFAOYSA-N	306.406	3.910	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(F)F)c(C)n1CCC(C)C	729074704	HEFNUBXBNUJKDR-NVNXTCNLSA-N	324.371	3.866	50	20	DHGD	
C[C@H](CNC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734654517	WZGMOQWCIWFYSJ-SNVBAGLBSA-N	323.318	3.534	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCOc1c(C)cccc1C	748549249	RUKJQBPMUXJADL-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	752468317	STHMZTJZBYBDAE-FCEBOWQDSA-N	320.367	3.579	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)Cc2cccc(Cl)c2)cc1	756766043	HQXXBMDUPSMARM-GFCCVEGCSA-N	318.804	3.671	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(F)cc(Cl)c1	757388074	NIYLVIWNJFZKBV-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1c(Cl)oc2ccccc12	761176049	HXLBWKYKJFBJIH-XFFZJAGNSA-N	302.761	3.765	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1cccc(Cl)n1	766747189	VWMGFYPDMFPDLF-JTQLQIEISA-N	320.614	3.588	50	20	DHGD	
C[C@H](CBr)COC(=O)CCc1cccc(Cl)c1	770338713	XZQYDKSBJJXJPN-SNVBAGLBSA-N	319.626	3.847	50	20	DHGD	
C#CCCCCCC(=O)NNc1ccc(Br)cc1C	780656731	FQJHXTFKUTZRAL-UHFFFAOYSA-N	323.234	3.784	50	20	DHGD	
COc1cccc2c1CCN(/C(=C/C#N)c1ccc(F)cc1)C2	782528080	ZFKFYVSQAKVQGP-GIJQJNRQSA-N	308.356	3.757	50	20	DHGD	
CCC[C@@H]1[C@@H](C)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	787394059	CYNOXHPIBONYJE-RULJAHQOSA-N	312.413	3.726	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CC=C(c3ccc(F)cc3)CC2)n1	794565685	BUQYYGCMYQFZFX-UHFFFAOYSA-N	323.371	3.882	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccccc2NC2CCCCC2)c1	795165826	OOXLZIHXFNXDGC-UHFFFAOYSA-N	324.428	3.892	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H]3CCC[C@@H](C3)C2)cc1	804341455	SYHOGWHGTFANLT-FBYAIYFHSA-N	324.424	3.641	50	20	DHGD	
Cc1ccccc1-c1nc(C(=O)NCC(Cl)Cl)cs1	808131010	MYJNEPMTHVYTGK-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
COc1ccc2nc(NNC(=O)CCCC3CC3)c(C)cc2c1	812545539	SPZBWZQTYIYSGO-UHFFFAOYSA-N	313.401	3.575	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C1(C(F)F)CCCC1	813495019	KYNICSMXOSJVBB-UHFFFAOYSA-N	320.286	3.557	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1	814687893	CDTPDQSBPHBUOV-CYBMUJFWSA-N	303.793	3.776	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc2c(c1)CCCC2=O	815852674	DVDIVZZSLSSWEP-UHFFFAOYSA-N	314.772	3.616	50	20	DHGD	
Cc1conc1C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	825255537	VVOXOIBJBNFSJX-CYBMUJFWSA-N	324.497	3.609	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2C[C@H](C)CC[C@H]2C)cc1OC	834929611	QSMBZMGBFUFJDA-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(NNC(=O)CCCC(=O)C(C)(C)C)c(Cl)c1	836935352	QIVBTIOZCKWVEV-UHFFFAOYSA-N	310.825	3.877	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837037182	GZXLNGZWEOYPBE-LBPRGKRZSA-N	324.396	3.518	50	20	DHGD	
COC1CCC(NC(=O)CCCC[C@@H]2CCSS2)CC1	837948961	DQQOXNDIFJEIAV-JXQTWKCFSA-N	317.520	3.774	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2)c(C2CC2)n1	839708639	KTTYIYDNJUSTEI-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
CC[C@H](C)OCC(=O)NNc1ccccc1Oc1ccccc1	846461118	KJDHDUBRUKTKAQ-AWEZNQCLSA-N	314.385	3.737	50	20	DHGD	
COC[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	853004332	BRJCQQGGANOZSU-MPMPPSQCSA-N	313.397	3.767	50	20	DHGD	
CC(C(=O)NNc1nc2ccc(Cl)cc2s1)=C1CCC1	856236605	MARXHLSGWSYSAC-UHFFFAOYSA-N	307.806	3.893	50	20	DHGD	
CC(C)CCOC(=O)Oc1cc(F)c([N+](=O)[O-])cc1Cl	859158015	XFDLOAQNNNZNCK-UHFFFAOYSA-N	305.689	3.949	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(F)cc2Cl)C1	885137334	UOLLGXXIPXAORE-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@H]1CC2(CCOCC2)Oc2ccccc21	896033559	LCWFEWMPTJENCX-GUSZCTEKSA-N	321.848	3.522	50	20	DHGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@@H]2Br)[C@H]1c1ccccc1	906387941	IGZNOHLXNBHNBN-HEHGZKQESA-N	322.246	3.770	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)C1CCCC1	915960952	XGXYBEQVDJUJCA-UHFFFAOYSA-N	316.735	3.582	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1ccccc1C	916244322	SDKGQHNWJOOXIJ-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC	917143101	HDFILRQUSJERPK-UVTDQMKNSA-N	320.820	3.952	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCOCCC(C)C)cc1	918534838	VMGSYLXTODMJAY-SFQUDFHCSA-N	301.386	3.508	50	20	DHGD	
Cc1cc(NNC(=O)CCCc2nccs2)ccc1Cl	928339869	LWHQRTOEAPOSLH-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CCc1ccc(C(=O)NNc2cnc3ccccc3n2)cc1CC	1116825929	UDVPTHYORKONPI-UHFFFAOYSA-N	320.396	3.512	50	20	DHGD	
CC(C)O[C@H]1CC(=NNC(=O)c2ccccc2Cl)C1(C)C	1254919471	NRGGUZQSUSKUJY-AWEZNQCLSA-N	308.809	3.649	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](c2cccnc2)C1	1337267658	DNHOQXJXULJJRS-KRWDZBQOSA-N	314.816	3.840	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2csc(Cl)c2)cc1	1338765913	CTYBMNSUYHHSQP-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
CC[C@@H](C)c1ccc(C=NNC(=O)c2cccc(C(=O)O)c2)cc1	1776096436	BGWIVYDVBCJQEQ-CYBMUJFWSA-N	324.380	3.662	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2ccc(F)cc2F)c1	66325853	LQOBKGWVGNKPME-UHFFFAOYSA-N	322.380	3.650	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc(Cl)ccc1F	67977684	ZQBJHKFODWFWBF-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(c2ccc(Cl)cc2)CC1	118511195	ASYXLLDQMMGLEQ-UHFFFAOYSA-N	322.742	3.793	50	20	DHGD	
COc1ccccc1SCC(=O)NNc1cc(C)ccc1C	163781667	DEHKKDRGLAEEAI-UHFFFAOYSA-N	316.426	3.547	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Cl)cc1F	172090922	UNFGKPVEWVDOJO-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCCCCC(=O)NNc1c(F)cc(F)cc1Br	174180056	ZEAQKSCDBYCROV-UHFFFAOYSA-N	321.165	3.751	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(-c2cccs2)on1	192758141	BZUVHYBODBPZRG-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)CSc1nc2ccccc2s1	254395516	UOCBOJOXLOCWBC-SNVBAGLBSA-N	321.471	3.927	50	20	DHGD	
CC(=O)Nc1cccc2c1CCN(/C(=C\C#N)c1ccccc1)C2	255420456	DXLVRTKMNRNVGF-JMIUGGIZSA-N	317.392	3.568	50	20	DHGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)[C@H]1CCCOC1	280990064	MRHZKMLCLRDPNF-KFXIKWRMSA-N	321.376	3.751	50	20	DHGD	
CC(C)(C)Oc1ccccc1NC(=O)NNc1cccc(F)n1	287401309	WKYFAHGVGCHVFJ-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@H]1C1CCC1	375103815	CYDQZMJGBWLTAT-RYUDHWBXSA-N	302.256	3.587	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	588559782	GXMPPPUIRQYOOA-WQLSENKSSA-N	305.761	3.950	50	20	DHGD	
O=C(O)CNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	689681332	NZZUYNLZCGCBMN-UHFFFAOYSA-N	320.239	3.550	50	20	DHGD	
CCCCc1ccc(C(C)=NNC(=O)Cc2cccnc2)cc1	728784893	WOYMNSXBDAJJMO-UHFFFAOYSA-N	309.413	3.507	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc2ccccc2o1)c1ccccc1	731153390	JPYSSVXQIHCCAF-UHFFFAOYSA-N	306.365	3.861	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1ccc(F)cc1Cl	731487456	VXEBHNZVFCOZSO-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1nc(C)sc1C)c1ccccc1	731931058	BBHPENSLMLBGSH-HNNXBMFYSA-N	315.442	3.794	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@@H](C2CC2)C1	737423861	YQYUKSZFTCJGMG-TZMCWYRMSA-N	318.392	3.665	50	20	DHGD	
Cc1ccoc1C=NNC(=O)c1ccc(OCCC(C)C)cc1	743426657	JCBUYJSCXBLLGU-UHFFFAOYSA-N	314.385	3.777	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccc(Cl)nc1	743816451	PMVIYCNZSUVIMQ-HNNXBMFYSA-N	317.820	3.693	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cncc2ccccc12	752673498	LBCQPLAAKMWPJA-DHDCSXOGSA-N	317.323	3.920	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1cnc(C)s1	761260057	CTRXRASIXMWYOL-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)(F)F)s1)NC1CCCCC1	761750695	WIWZMCPGCPNRFY-UHFFFAOYSA-N	319.352	3.733	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=S)Nc1ccc(C)cc1C)C(C)C	763546391	DJOWCVRNEULIOI-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1C(C)(C)C	767958733	QIUICAAPOJYQOE-MNOVXSKESA-N	304.272	3.833	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnc2ccccc2c1C	771707335	OKDKWVVLUAXJFF-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)c1cc2ccccc2o1	776725596	BSNDUYOJRQJIJY-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cccc2Cl)cc(Cl)n1	777793037	RROZCPXUZFLBAB-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	780513115	WMCSNFKGKDECHR-UWVGGRQHSA-N	322.796	3.515	50	20	DHGD	
CC1(C(=O)NNc2cc(F)c(F)c(F)c2)CCCCCC1	781353008	YEUSKMLKRGCKRB-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
COc1cccc(CCCOC(=O)/C(C#N)=C\c2ccccc2)c1	785352256	VTODWJWJPLJNSV-AQTBWJFISA-N	321.376	3.778	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ccc(C#N)cc1Cl	785378916	OMNKINGTSRJFJE-PXNMLYILSA-N	322.751	3.862	50	20	DHGD	
CSSCCNC(=O)CCCc1ccc(Cl)cc1	791099628	HQJJDYBMSDYDPQ-UHFFFAOYSA-N	303.880	3.790	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNc1nc2ccccn2n1	791243690	UPPKQBJUQJBZMT-QGZVFWFLSA-N	317.437	3.559	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc([N+](=O)[O-])c1	797397305	CCMFELLIFPFYSJ-VXGBXAGGSA-N	303.362	3.527	50	20	DHGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccsc1	801439483	JOMQAZFZHNOGJM-WPRPVWTQSA-N	304.253	3.735	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NNC(=O)C3CCCC3)c2c1	804251766	MSMSYPRJBOVRIC-UHFFFAOYSA-N	314.385	3.507	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1C	806554384	RRICDGUYUPFNED-XNTDXEJSSA-N	301.386	3.925	50	20	DHGD	
C=C(CBr)CN(C)[C@H]1CC[C@@H](C(F)(F)F)CC1	808793371	DAMRZLGHCVUSKS-PHIMTYICSA-N	314.189	3.990	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)c1nc(-c2ccccc2)no1	812242689	ZERCSOFDFSZLCU-ZROIWOOFSA-N	321.311	3.948	50	20	DHGD	
C[C@H](C=NNC(=O)CCc1ccccc1O)C1CCCCC1	814840282	IHZMKKLSMZWKSY-CQSZACIVSA-N	302.418	3.643	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1sccc1C	815006726	ZWCADTZCAOHFQY-UHFFFAOYSA-N	309.341	3.880	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@H]1CC2CCC1CC2	825854109	FTTYHIWUYIIXJP-XIVSLSHWSA-N	301.415	3.566	50	20	DHGD	
C[C@@H]1SCC[C@H]1NC(=O)CCCC[C@H]1CCSS1	844115864	PFWCAWLFYYVCPF-SDDRHHMPSA-N	305.534	3.711	50	20	DHGD	
CCC[C@H](OC)C(=O)NNc1ccccc1Oc1ccccc1	846460922	GXXLAMPNZDMEMQ-KRWDZBQOSA-N	314.385	3.737	50	20	DHGD	
COCc1csc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1	849179886	SYWMUITVHWQVKI-ZROIWOOFSA-N	318.442	3.593	50	20	DHGD	
N#CSCCCNC(=O)c1ccccc1NC1CCCCC1	854359973	YNBGUFGYLAYFRL-UHFFFAOYSA-N	317.458	3.765	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(C(F)F)nc1	857082886	RKURWIBNRLLKLQ-QWRKXWFKSA-N	319.193	3.843	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc3sccc3c2)C[C@H]1Br	857395016	VMFGMPHYBIEGEM-OCCSQVGLSA-N	324.243	3.805	50	20	DHGD	
C[C@@]1(CNC(=O)CCC2CCCCC2)C[C@@H]1Br	857401940	BTHXHBMOUIOQNC-JSGCOSHPSA-N	302.256	3.637	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCOc2cc(C)ccc2C)c1	857831097	TVQBAXIYWAGWHO-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1	885129842	HHSPOGXJGULMEN-IUODEOHRSA-N	310.825	3.543	50	20	DHGD	
CCCCCCOc1ccc(/C=C(\C#N)S(C)(=O)=O)cc1	916132369	AFUJJVAFZBEUAJ-FOWTUZBSSA-N	307.415	3.555	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1cc(C)ccc1O	916279359	YELNSXHFLVQIPQ-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)C2CC2)c(OCCC)c1	916290874	YVADPAZURHQAMH-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)c2ccccc2C)cc1	916360893	JHNIBDJKOLIPKH-UHFFFAOYSA-N	310.397	3.938	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)c(O)c1	917556543	ZNXUBODXUATVML-UONOGXRCSA-N	300.402	3.777	50	20	DHGD	
Cc1ncc(C(=O)NNc2ccc(Cl)cc2C)c(C(C)C)n1	928338856	BTNGAJOJWHXVKC-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CSCc1cccnc1C(=O)NNc1ccc(C)c(Cl)c1	1323879744	OAHYONHRMWIGOZ-UHFFFAOYSA-N	321.833	3.663	50	20	DHGD	
N#C/C(=C/c1cccc2ccoc12)c1nnc2n1CCCCC2	1328084175	FKJAXUXIAFXWFC-PTNGSMBKSA-N	304.353	3.815	50	20	DHGD	
CC[C@@](C)(NC(=O)c1cccc(CCl)c1)c1nccs1	1335784946	GKGSAJIVDRAPHI-OAHLLOKOSA-N	308.834	3.937	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)cc(Cl)c2)c(C)n1C1CC1	1347845651	BLNWKOAQRNCNFS-UHFFFAOYSA-N	321.783	3.989	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](c2ccccn2)C1	1358265950	YOTLRCDEVUGSMD-INIZCTEOSA-N	314.816	3.840	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609737499	ZVIQGBJBFSNOEW-SNVBAGLBSA-N	324.808	3.698	50	20	DHGD	
Cc1cc(OC(=O)Cc2c(F)cccc2Cl)ccc1[N+](=O)[O-]	7037610	GGMOKSNCYAVWMI-UHFFFAOYSA-N	323.707	3.844	50	20	DHGD	
O=C(OCc1ccccc1)c1ccccc1CBr	34200424	REPPXUCYHRQWKY-UHFFFAOYSA-N	305.171	3.939	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ccc(F)cc2F)c1	78304937	SPEFGPUTDSYEMX-UHFFFAOYSA-N	320.339	3.757	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	108893555	NAECUCBUVKNMOV-IAGOWNOFSA-N	324.424	3.527	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1coc2ccccc12	121857166	WFTROTJDGRVIGS-UHFFFAOYSA-N	318.279	3.791	50	20	DHGD	
O=C(NNc1ccccc1F)c1cccc(Oc2ccncc2)c1	153060423	JYRSYWIDGOJZJA-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc2ccc(Cl)cc2[nH]1	154197492	UTNVSXYMPPGVJI-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)cc1	173015285	NPOIAGBPOJQKNT-WOJGMQOQSA-N	320.392	3.996	50	20	DHGD	
CCn1nccc1/C=C(\C#N)c1nc2ccccc2n1C(F)F	178877984	BXVYRDOMJGHGGP-PKNBQFBNSA-N	313.311	3.712	50	20	DHGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2ccncc2)C1	180445381	ZCZROJVFMCVSDQ-WBVHZDCISA-N	319.449	3.680	50	20	DHGD	
O=C(NNc1ccccn1)c1ccc(Oc2ccccc2)cc1	181252496	GKKQVSSRIPDBSC-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)nc3ccccc23)c1	193353472	KXCQKODHCYSLSJ-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CCC[C@H](C)[C@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194771786	UFOYWIXEVWRVLN-RULJAHQOSA-N	312.413	3.726	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1sc2ccccc2c1Cl	195255086	ZKKSBVCXNNEPOR-WEVVVXLNSA-N	310.769	3.722	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(Br)s1	254667433	AJYAHNVGYXIERQ-UHFFFAOYSA-N	319.224	3.759	50	20	DHGD	
CN(Cc1ccccn1)C(=O)CCCC[C@H]1CCSS1	299122938	TYFHSOPCEMLCQB-AWEZNQCLSA-N	310.488	3.754	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(C#N)cc1)c1ccccc1	731933023	UEVFGQVLTYOMRL-GOSISDBHSA-N	305.381	3.592	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cnnc3ccccc23)cc1	733812744	DWUQCMVVDMMDJI-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
CC(C)C(=NNC(=O)CNc1ccccc1)C1CCCCC1	733902133	MHKZFGLZJNSRCO-UHFFFAOYSA-N	301.434	3.807	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)[C@@H](C)CN2CCCCCC2)C1	734978702	SFZQOWAIUCLZJF-HOTGVXAUSA-N	307.482	3.571	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2ccccc2C(F)(F)F)o1	742516856	OAPBYLKAQLXLCE-JTQLQIEISA-N	312.291	3.854	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3cc(F)c(F)c(F)c3)oc12	746707084	UUVSUCHBZBPTBA-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
CCCCCOc1cc(C=NNC(=O)CC(C)C)ccc1OC	747040394	AEUQNHPQGBPBOL-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cccc(OC(F)F)c1	747047816	GPDKXUPDKFSWPE-UHFFFAOYSA-N	319.311	3.752	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(C(F)(F)F)nc1Cl	747988985	JVAKZMYYFJMAOL-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CCCCS2)c(C)c1	753264664	SLNKOPVJWQAQFW-CQSZACIVSA-N	307.463	3.524	50	20	DHGD	
CC[C@H](C)C=NNC(=O)Cc1nc(-c2ccccc2)cs1	755626123	YCVXAUFYZOYOAG-LBPRGKRZSA-N	301.415	3.501	50	20	DHGD	
C[C@@H](CC=NNC(=O)CCc1ccccc1O)c1ccccc1	755701152	ZNGOSMMSMYEYBJ-HNNXBMFYSA-N	310.397	3.621	50	20	DHGD	
O=C(NN=CCc1ccc(F)cc1Cl)c1ccccc1F	766431964	SLRQEJJCAAJNFC-UHFFFAOYSA-N	308.715	3.577	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1ccc2c(c1)OCCO2	767484442	CXHOFGWDJRLVHR-UHFFFAOYSA-N	304.390	3.534	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nc3ccccc3s2)cc1F	769925475	OMLQPQOEURAWET-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2c(F)cccc2Cl)C1	770198476	TVNLARYEKPVDNP-QWRGUYRKSA-N	314.788	3.518	50	20	DHGD	
CS[C@@H](C(=O)OC[C@H](C)CBr)c1ccccc1	770383221	RRFOYZAEBRMRKM-ZYHUDNBSSA-N	317.248	3.665	50	20	DHGD	
Cc1ccc2c(c1)CCCN2C(=O)/C(C#N)=C\c1ccc(O)cc1	776615094	LSZJNALITAQKDG-ATVHPVEESA-N	318.376	3.587	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(F)ccc2C)n1	777871765	MNANXLNXXAMWSI-SDQBBNPISA-N	316.357	3.832	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(Cl)c(OC)c2)cc1	790179123	JRQKKNZXAIANIX-UHFFFAOYSA-N	304.777	3.668	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC=C(C)C)c1C	790999280	DELCHECIMAIUMX-PDGQHHTCSA-N	313.445	3.894	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Cc1ccccc1Cl	791099814	LFERTCYMERKBIN-SNVBAGLBSA-N	303.880	3.646	50	20	DHGD	
COc1ccc(C(=O)NCCSSC)c2ccccc12	791153674	ZSOJHONURKCOKH-UHFFFAOYSA-N	307.440	3.589	50	20	DHGD	
CCSc1ccc(Cl)cc1C(=O)NNc1ncccc1C	791219061	LJOOGNBNQMJVTL-UHFFFAOYSA-N	321.833	3.912	50	20	DHGD	
C=C(CBr)CN(Cc1ccccc1OC)C1CC1	791447887	JCSXWFFIIMSOPF-UHFFFAOYSA-N	310.235	3.611	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](CC)OC1CCCCC1	795551464	QEYJORXPMCEVOK-CYBMUJFWSA-N	319.239	3.609	50	20	DHGD	
Cn1cnc(/C=C(/C#N)c2nc3cc(Cl)ccc3s2)c1	798230838	CLHYUFAASXWGHK-WTKPLQERSA-N	300.774	3.747	50	20	DHGD	
CCc1ccccc1OCCC(=O)NNc1ccccc1Cl	802826934	QVQPBNFIABPODZ-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2)c(C)c1OC	806554655	WZUKWNGYUGNTLI-WJDWOHSUSA-N	307.349	3.802	50	20	DHGD	
C[C@H]1CN(Cc2ccc(OCCCCl)cc2)CC(C)(C)O1	811459179	ZAIDKFMSKRPICU-AWEZNQCLSA-N	311.853	3.694	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)o1	812246053	BWEACNHOBCNMQD-RMKNXTFCSA-N	322.242	3.544	50	20	DHGD	
COc1ccc(NNC(=O)Nc2cccc(C3CCC3)c2)nc1	812995398	WIJTVXADEPEMGI-UHFFFAOYSA-N	312.373	3.506	50	20	DHGD	
Cc1sccc1C=NNC(=O)c1cccc(Br)c1	814857185	HZIYVQYCYPLFIN-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
Cc1cc(C=NNC(=O)CC2CC2)c(C)n1C1CCCCC1	814990407	PBPRNRWHGMISGI-UHFFFAOYSA-N	301.434	3.860	50	20	DHGD	
CCOc1ccc(NNC(=O)c2c(F)cccc2Cl)cc1	817889245	BWFBRZZITQTJMV-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
COC1CCC(NCc2ccc(OCCCCl)cc2)CC1	839169072	QCTJUASKIPXSRP-UHFFFAOYSA-N	311.853	3.742	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1cc(F)ccc1Br	839879107	OZTJQDKZYJSCAW-BDAKNGLRSA-N	317.202	3.714	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)nn1C	840714406	VCFPUORZGXVIHI-RVDMUPIBSA-N	307.397	3.816	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1	843859948	VLARMLAKHXKHKD-JTQLQIEISA-N	314.216	3.968	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2ccccc2Cc2ccccc2)CCO1	846464060	KTAYHEYSLBEPTH-MAUKXSAKSA-N	324.424	3.536	50	20	DHGD	
Cc1cccc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	912580262	PNJBQOVZPHVIPO-CQSZACIVSA-N	320.509	3.626	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2F)s1)c1ccc[nH]1	912806248	HZJHSRUYBWDPML-UHFFFAOYSA-N	313.357	3.646	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2cccnc2)oc2ccc(C)cc12	916252898	VOANBBNLUWHPLT-UHFFFAOYSA-N	321.380	3.853	50	20	DHGD	
CCCC(=NNC(=O)c1ccccc1O)c1ccc(Cl)cc1	916270626	AKHKKRADOLLJSM-UHFFFAOYSA-N	316.788	3.980	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)c2cccc(Cl)c2)c1	916278298	NBPCHXUBBCMZKJ-UHFFFAOYSA-N	314.772	3.669	50	20	DHGD	
O=C(NC[C@@H]1CC=CCC1)NNc1ccc(Cl)cc1Cl	921122465	FNMCHIMQHVQJQF-SNVBAGLBSA-N	314.216	3.976	50	20	DHGD	
N#C/C(=C/c1cc(F)ccc1F)c1nc(N)c2ccccc2n1	1317867931	IOJDWZOKNFAHSU-XFFZJAGNSA-N	308.291	3.554	50	20	DHGD	
N#C/C(=C/c1ccsc1Cl)c1nc(N)c2ccccc2n1	1320699512	DTAGCEOTZUBKOQ-YFHOEESVSA-N	312.785	3.991	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1F	1322987025	XTJHCTKIDJMRPH-UKTHLTGXSA-N	307.328	3.785	50	20	DHGD	
COc1ccc2c(c1)CN(C(=O)CCl)[C@@H](c1ccccc1)C2	1323269234	KBINLPGLVLGVKA-QGZVFWFLSA-N	315.800	3.560	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1cc(C(F)(F)F)ccn1	1330659852	PQLCNEWTWOVTMH-SNVBAGLBSA-N	303.328	3.760	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC2CCC2)c1C	1339093110	POUVNENARXFGFO-WOJGMQOQSA-N	313.445	3.680	50	20	DHGD	
O=C(NCC[C@H]1CCC2(CCC2)O1)c1cccc(CCl)c1	1353810719	PRRTYTJAGVBQQX-OAHLLOKOSA-N	307.821	3.647	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNc1ccc(C(=O)O)cc1F	1590922262	WELOKPGGAPISRK-LBPRGKRZSA-N	322.380	3.740	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNc1ccc(F)c(C(=O)O)c1	1605255357	QMWYXYXNSSGVJH-QGZVFWFLSA-N	324.396	3.964	50	20	DHGD	
Cc1ccc(C)c(NS(=O)(=O)c2ccc(CCCl)cc2)c1	20190842	CYAUFYIQRPACCD-UHFFFAOYSA-N	323.845	3.886	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	134118498	SFBFBQOVQGQGGG-UHFFFAOYSA-N	313.357	3.550	50	20	DHGD	
O=C(NN[C@@H](Cc1ccccc1)c1ccccc1)c1ccccc1	145352190	JGPSCMWNCOQVBW-FQEVSTJZSA-N	316.404	3.905	50	20	DHGD	
N#CC1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CCCC1	155278218	OYSCKRGGYDBFBC-UHFFFAOYSA-N	310.309	3.737	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ncccc1Cl)c1ccccc1	173603559	NNGJPXFKLCHIHQ-CQSZACIVSA-N	303.793	3.618	50	20	DHGD	
Cc1cccc(NNC(=O)c2c[nH]cc2-c2ccc(F)cc2)c1	175229625	VMPIRGFZSWQKJO-UHFFFAOYSA-N	309.344	3.886	50	20	DHGD	
COc1ccc(C[C@@H](C)C(=O)NNc2cc(C)cc(C)c2)cc1	179487266	OEVKCNSMFZEUPL-OAHLLOKOSA-N	312.413	3.634	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccccn3)c(F)c2)cc1	181165934	AVLZONPMCYIFQO-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
Cc1ccc(NC(=O)CN(C)/C(=C\C#N)c2ccc(F)cc2)cc1	255695526	ITBXSEQBBBAWSB-WQRHYEAKSA-N	323.371	3.569	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)Cc2nc3ccccc3[nH]2)cc1	282118965	XQNWNDRUWGIVFT-UHFFFAOYSA-N	322.412	3.583	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1ccc(C(F)(F)F)cc1	282259383	CQDQJQXZWYIWRS-UHFFFAOYSA-N	306.353	3.538	50	20	DHGD	
CSC[C@@H](C)C(=O)NN(Cc1ccccc1)c1ccccc1	303314296	GMJOCOJFRVXARZ-OAHLLOKOSA-N	314.454	3.724	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)NCc1ccccc1	490700105	UMMFHEASJNHTMC-MHWRWJLKSA-N	312.319	3.848	50	20	DHGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1	490979966	ZPNRYLBDQQJHGR-YHYXMXQVSA-N	323.249	3.718	50	20	DHGD	
CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	726974259	UQJZFUAAWCOPOP-STQMWFEESA-N	317.882	3.571	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2)cc1	729273865	IQZYVSKWIZVAMQ-CVEARBPZSA-N	316.788	3.595	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc3cc(F)ccc3o2)cc1	741757497	XJOOFZMNLZEMGM-UHFFFAOYSA-N	310.328	3.898	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)c(C)c1	743766416	KNBHIAAKCPFUNJ-WIYYLYMNSA-N	320.436	3.959	50	20	DHGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	745802344	QWQVUOPTFSAZDH-DGCLKSJQSA-N	310.829	3.720	50	20	DHGD	
Cc1ccsc1CNC(=O)NNc1ccc(Cl)c(F)c1	746758835	YXWYYHWBZXXMBA-UHFFFAOYSA-N	313.785	3.675	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(OC)cc1)C1CCCCC1	750920059	XJKDSYUADRPZMG-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
CCN(CCC(F)(F)F)C(=O)/C(C#N)=C\c1ccc(F)cc1	751781284	QDFFFTZJEWIBRP-XFXZXTDPSA-N	314.282	3.534	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CCCCS2)c(C)c1	753264661	SLNKOPVJWQAQFW-AWEZNQCLSA-N	307.463	3.524	50	20	DHGD	
CCCCCCCCNC(=O)c1c(C)nn(CCCl)c1C	755146033	BINNYBAVFXODEO-UHFFFAOYSA-N	313.873	3.829	50	20	DHGD	
C[C@H](C=NNC(=O)NCc1ccco1)c1cccc(Cl)c1	763356505	RGDWCSAADYTYLC-LLVKDONJSA-N	305.765	3.522	50	20	DHGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1cccc(OC(F)F)c1	766020116	KGYBXOFHYOOSLS-SNVBAGLBSA-N	310.344	3.830	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1C[C@]1(C)c1ccccc1	768182735	BTEAEIXPUPGRDI-WOSRLPQWSA-N	324.262	3.642	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(-c2ccco2)s1	768502871	CWKISAVOAIDITR-UHFFFAOYSA-N	324.365	3.641	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cnc2ccccc2n1	774782908	FDUOCXUTQHBUGJ-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cn1	780153118	LQCJKDMMSDPDCM-RIYZIHGNSA-N	317.348	3.670	50	20	DHGD	
CCC(=O)NNC(=O)Nc1ccc(Cl)cc1-c1ccccc1	785874460	LRPXHKMMNOZLOT-UHFFFAOYSA-N	317.776	3.570	50	20	DHGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	789038721	JBKNEMGXXSWKFX-GHMZBOCLSA-N	313.829	3.799	50	20	DHGD	
CC(C)=CCNC(=O)NN(Cc1ccccc1)c1ccccc1	790537039	UKCMBWJZZFNUTR-UHFFFAOYSA-N	309.413	3.874	50	20	DHGD	
CCC(C)(C)c1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	790599569	ZCHLOPOAWHUYDA-UHFFFAOYSA-N	317.433	3.717	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H]1c1ccc(Cl)cc1	790876691	RJLYSGSRYNFBIK-LBPRGKRZSA-N	316.879	3.808	50	20	DHGD	
C[C@H]1C[C@@H](C)O[C@@H]1C(=O)NN(c1ccccc1)c1ccccc1	799854632	QXZCXPJGJPRBHI-DAYGRLMNSA-N	310.397	3.669	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C/c3cn(C)cn3)n2)cc1	800793666	UBHBRLJVMDJHIR-VGOFMYFVSA-N	306.394	3.916	50	20	DHGD	
COc1cc(C(=O)NN=C[C@@H]2CC[C@H](C)C2)ccc1OC(C)C	800808172	NAJUWJITVVORJA-UONOGXRCSA-N	318.417	3.634	50	20	DHGD	
CCCCOc1ccc(C(=O)N(C)CC(Cl)Cl)cc1	808245975	KYSUNSMYEUKFTH-UHFFFAOYSA-N	304.217	3.741	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1C#N)c1cnc2ccccc2n1	811691181	MAXMIOUSVMJZRE-JYRVWZFOSA-N	300.296	3.705	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1occ2c1CCOC2	812770404	PJIHOWYSWOTVLL-UHFFFAOYSA-N	314.385	3.541	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)CSc1ccccc1O)C1CC1	814970517	RVUBWMIMONGOPV-UHFFFAOYSA-N	320.458	3.803	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(OC)cc1)c1cccc(F)c1	814998017	PMNAPALYKLQUCB-UHFFFAOYSA-N	315.348	3.770	50	20	DHGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNc1cccc2cnccc12	830813460	JZKWDAPMRUJDRB-LLVKDONJSA-N	324.211	3.652	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@]2(CCSC2)C1	832510735	CYAQGCHUAYDXFP-UMNNMYMZSA-N	302.418	3.909	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Br)c1)C1CCC1	834962187	LHNCSXAFGQVOSG-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
CCc1nc(CNC(=O)CCCC[C@@H]2CCSS2)co1	836986194	XRGFISRGCHFUTC-GFCCVEGCSA-N	314.476	3.567	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CC23CCSCC3)cc1	837053079	KDXHCCPDEFMCMX-OAHLLOKOSA-N	304.459	3.786	50	20	DHGD	
CN(N=Cc1cccc(OC2CC2)c1F)C(=O)OC(C)(C)C	853291590	FJKXTXKWZGIRQE-UHFFFAOYSA-N	308.353	3.568	50	20	DHGD	
COc1ccc2oc(CNC[C@@]3(C)C[C@H]3Br)cc2c1	856810490	YIKQQMLCYOVWTO-HUUCEWRRSA-N	324.218	3.705	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(C)c(C)c1	915958048	JNXNDYHOTXZQCY-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1F	916278559	UEWZDYQJSTXPRH-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(Cl)cc2C)c1C	928340513	SUKXYQMAZRIPAI-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ncc(Cl)s1	1116872556	HRQNDNOCEMSQKN-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ccc(C)cc1Cl	1347026808	YFIKGQDXQRCKOI-LLVKDONJSA-N	306.797	3.573	50	20	DHGD	
COC(=O)c1ccc(C)c(NC(=O)C2CCC(Cl)CC2)c1	1347238878	HRIWIBGMCFNTOX-UHFFFAOYSA-N	309.793	3.518	50	20	DHGD	
O=C(N[C@@H]1CCCOc2ccccc21)C1CCC(Cl)CC1	1351111946	GOVLQDILHFFFTC-SSDMNJCBSA-N	307.821	3.814	50	20	DHGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)Nc1ccncc1	91539597	CJTFSMQKNHBOEE-XFXZXTDPSA-N	307.284	3.513	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)c(OC(F)F)c(C)c2)c1	109427556	XXSWDPJZLYBUSG-UHFFFAOYSA-N	320.339	3.970	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)s1	121750134	WIHVRRHWLZUQPR-NTMALXAHSA-N	318.785	3.956	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1c(Cl)cnn1C	122006291	AWWJSEHMSDDFLI-YRNVUSSQSA-N	324.771	3.653	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)c(O)c2)cc1	131483046	OPEDGGYOPFHNHJ-GDNBJRDFSA-N	322.364	3.645	50	20	DHGD	
CCn1nccc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	152176297	NNHSCCXGAUACLA-XFFZJAGNSA-N	320.179	4.000	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1cc(C)ccc1C	158918404	PHGKHDYTEMJDOL-HNNXBMFYSA-N	312.413	3.949	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H](c1ccccc1)C1CC1	158933546	WJZJURJAFRAPLN-MRXNPFEDSA-N	300.789	3.977	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2c[nH]c3ccc(F)cc23)c1	159056565	ONHNIXDALSGUFE-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1ccncc1	180465920	CXHIMRDZLCSHHZ-UHFFFAOYSA-N	318.380	3.606	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(Cl)cc1	252614221	JHACNVTTZKEXLJ-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc(C(F)(F)F)cn1	286000811	HFVVMLZEJMLDOI-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	491010710	MQUUTCZGMKCVHX-BVTUPMQUSA-N	324.355	3.619	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccnc(Cl)c1F)C1CCCCC1	491162305	REGHFBKUSJVMHP-FMIVXFBMSA-N	321.783	3.572	50	20	DHGD	
CCSc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cn1	727784592	HEKJOLHGHVJRMW-UHFFFAOYSA-N	318.354	3.629	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)NNc2c(F)cccc2F)o1	735759289	RXLIZNUXZTYLAN-KOLCDFICSA-N	321.327	3.508	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)c1cc2cccc(C)c2o1	747233799	JYKVOHHCLXBXIO-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)NCCc1ccccc1	747697603	YXVGQIRYALLDLF-DFBITEFZSA-N	320.367	3.648	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(OC(F)F)cc2)cc1C	748649132	GDJYSUUCCUIBCM-UHFFFAOYSA-N	320.339	3.591	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC[C@@H]1Cc1ccccc1	752499227	FQZUPLRXTCHKKU-XYSGSMRZSA-N	320.367	3.576	50	20	DHGD	
CC(C)(C)[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	753229847	RYFFCLLHTIDTFW-IPJDOKCGSA-N	300.377	3.627	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc(-c2ccccc2)nn1	754467187	GCCCMIZJCQXQDE-AWEZNQCLSA-N	312.417	3.659	50	20	DHGD	
O=C(NN=Cc1c(Cl)oc2ccccc12)c1ccccc1F	761250702	CBAOGKWVUMINDB-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCCC[C@H]2C(C)C)cc1OC	764655908	YUACMYQKFXCLRX-AWEZNQCLSA-N	318.417	3.636	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ncccc1C(F)(F)F	765573044	HMIBVGIBYPKHMU-UHFFFAOYSA-N	322.290	3.564	50	20	DHGD	
CS[C@H](C(=O)OC[C@H](C)CBr)c1ccccc1	770383216	RRFOYZAEBRMRKM-PWSUYJOCSA-N	317.248	3.665	50	20	DHGD	
CSc1cc(/C(C#N)=C/C=C/c2ccccc2[N+](=O)[O-])ncn1	773173146	QCMYNGHJVIRRJJ-RYSUZZKOSA-N	324.365	3.727	50	20	DHGD	
N#C/C(=C\c1cccnc1)C(=O)c1cccc(C(F)(F)F)c1	780375121	TXQUSMIUJRTJPT-NTUHNPAUSA-N	302.255	3.890	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1csc(Cl)c1	787156408	ZGQHTLMAWOMBJS-UHFFFAOYSA-N	322.817	3.580	50	20	DHGD	
CSSCCNC(=O)N[C@H](c1ccccc1)C1CCC1	790708457	HQLUFGBYHCHCBT-CQSZACIVSA-N	310.488	3.838	50	20	DHGD	
CSSCCNC(=O)NCC(C)(C)Cc1ccccc1	790731489	XIPXQUSMIQUTFX-UHFFFAOYSA-N	312.504	3.566	50	20	DHGD	
CSSCCNC(=O)c1cc(Cl)ccc1OC(C)C	791159008	XCFKSJOKSNDMSR-UHFFFAOYSA-N	319.879	3.868	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1C#N	799729751	QOXGTNNVPPKTDQ-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)Nc2ccccc2)CC(C)(C)C1	801990312	DWZGHCAQXIAMMY-KGLIPLIRSA-N	317.433	3.692	50	20	DHGD	
CCC[C@H](C(=O)NNc1nccnc1C1CCC1)c1ccccc1	805461149	UQMRNVSUIOWEPJ-INIZCTEOSA-N	324.428	3.771	50	20	DHGD	
CSSCCNC(=O)CCCc1ccccc1Cl	810720672	NOIRWGQLWFGUIX-UHFFFAOYSA-N	303.880	3.790	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2c(c1)C(C)(C)CO2	811494668	VXRNWRTUBZHZDH-UHFFFAOYSA-N	324.424	3.984	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(F)ccc2OC)cc1	812240750	QPLQXLVGAGRYMP-GDNBJRDFSA-N	324.355	3.942	50	20	DHGD	
CO[C@@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C12CCC2	834941772	KJQOZTQUQYRZDH-QGZVFWFLSA-N	308.381	3.515	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1cccc(Cl)c1Cl	838349921	RHVGSDSCYLUVRP-UHFFFAOYSA-N	317.216	3.832	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC([C@@H]2CCCCO2)CC1	852594128	LWJKPHIXCBMOFB-UUVGHFPGSA-N	314.404	3.971	50	20	DHGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1cccc(Cl)n1	853411287	FDHLXBLUICNVMS-NWDGAFQWSA-N	305.809	3.811	50	20	DHGD	
C[C@]1(CN[C@H]2CCCOc3ccccc32)C[C@@H]1Br	857081039	BIUMJTFOSVBWQT-AEGPPILISA-N	310.235	3.663	50	20	DHGD	
CC(C)N(Cc1ccco1)C[C@@H](CBr)C1CC1	859094099	BOGOJSTWDDOYQM-CYBMUJFWSA-N	300.240	3.911	50	20	DHGD	
CC[C@H](c1ccncc1)N(C)C[C@H](CBr)C1CC1	859216449	JIPAJZLDZNECJF-LSDHHAIUSA-N	311.267	3.886	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)c1ccnn1C1CCCC1	862510178	VVFFIKJEEUYKOY-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)[C@@]2(C)C[C@@H]2Br)c1	907018590	NTACIEQULWEITP-JQWIXIFHSA-N	302.599	3.760	50	20	DHGD	
O=C(NC1CCCC1)NN(Cc1ccccc1)c1ccccc1	915256423	RQGULBLWLRZYAA-UHFFFAOYSA-N	309.413	3.850	50	20	DHGD	
Cc1ccccc1C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	916353355	KXIUQVYKBYIVKA-GFCCVEGCSA-N	312.438	3.945	50	20	DHGD	
Cc1cc(F)cc2c1CN(C(=O)C1CCC(Cl)CC1)CC2	1263818248	PWXFHXMQMZCPTF-UHFFFAOYSA-N	309.812	3.816	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCOC3(CCCCC3)C2)c1	1349816484	DBPQXKSNSWIPIV-UHFFFAOYSA-N	306.431	3.656	50	20	DHGD	
CC1CCC(=NNC(=O)c2cccc(Br)c2)CC1	5915734	ADUWGZOECNJWHH-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccccc2)cc1	7896485	QSUBNDSUBAOBRB-IQGJIOQQSA-N	307.349	3.907	50	20	DHGD	
CCOCCO[C@H](CBr)c1ccc(Cl)cc1	50480630	KJBRAEQHZNNMGA-GFCCVEGCSA-N	307.615	3.829	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cccnc1Cl)c1ccccc1	85681225	ANASWHJOFABKBI-CQSZACIVSA-N	303.793	3.618	50	20	DHGD	
CO[C@@H]1CCC[C@H]1OC(=O)CCCC[C@@H]1CCSS1	111970129	WLJCCEGYXGFYTI-JHJVBQTASA-N	304.477	3.811	50	20	DHGD	
CC(C)COc1ncccc1C(=O)NNc1ccc(Cl)cc1	120141499	WVOCSROTIITFMG-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)c1cccc(F)c1	120248294	CCANIHDMTNMQNO-ZDUSSCGKSA-N	312.388	3.951	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2ccc(Cl)cc2)cc1	120351329	PTJQNXIMGZCXKZ-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(C(F)(F)F)cn1)C(C)(C)C	132193522	NMZNXRLHPIBPHA-CLFYSBASSA-N	301.312	3.536	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccccc1F)c1ccc(OC)cc1	152739703	BPZOXGCNUKEPFV-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	153628477	UKQLDPNMWMUAHH-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCC(CC)(CC)CNC(=O)NNC(=O)Nc1ccccc1C	159903807	OYRGSYIEHWVRSS-UHFFFAOYSA-N	320.437	3.547	50	20	DHGD	
Cc1cc(OC(=O)c2csc(C(C)C)n2)ccc1[N+](=O)[O-]	171423668	BNGKANQJQOTAIN-UHFFFAOYSA-N	306.343	3.702	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1	173014969	BIVRYDOBHCMPCA-WOJGMQOQSA-N	320.392	3.996	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1cc(Cl)ccc1Cl	178319916	YIVQOSAEBICXFY-BAQGIRSFSA-N	324.192	3.996	50	20	DHGD	
O=C(/C=C/c1ccc[nH]1)NNc1c(Cl)cc(F)cc1Cl	188679677	JYKNTVOCUXQLCP-ONEGZZNKSA-N	314.147	3.617	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Oc2cc(C)ccc2Cl)c1	195662076	YVKHPKJLDDCKRQ-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(F)c2)cc1	207813164	IEHDMWCFMNVRQF-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2ccc3ccccc3n2)cc1	263629687	CQLZHJOASWNCOU-UHFFFAOYSA-N	321.405	3.721	50	20	DHGD	
CCSc1ccc(Cl)cc1C(=O)N1CC=C(C#N)CC1	271082122	GKOFNJXQAJCKGY-UHFFFAOYSA-N	306.818	3.748	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2c(F)cccc2Cl)C1	281560403	LBYQYPHDFYHNKT-QWRGUYRKSA-N	314.788	3.518	50	20	DHGD	
CSSCCNC(=O)CCCc1c[nH]c2ccccc12	284159218	QTXWYOSEZILYGC-UHFFFAOYSA-N	308.472	3.618	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C2(c3ccc(N(C)C)cc3)CC2)c1	293398501	OHFIWXINTYPCHD-UHFFFAOYSA-N	323.440	3.544	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)c1ccc(Cl)cc1F	588524154	ZMXBHJPEIQGLOT-YHYXMXQVSA-N	304.683	3.803	50	20	DHGD	
Cn1cccc1C(=O)NN=Cc1cccc(Oc2ccccc2)c1	725845768	HXAWTUTUEMPMNK-UHFFFAOYSA-N	319.364	3.581	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2ccc(Cl)c(F)c2)cc1	746701199	IFXQRSARNFHXLG-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)C1	747750675	CJOGHTGVABCJFZ-CHWSQXEVSA-N	311.385	3.884	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(SC)cc1	751169929	XMGWMRDPYUOEDT-UHFFFAOYSA-N	319.338	3.545	50	20	DHGD	
CCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OC(F)F	758915665	MNBDZIUEHNFKRB-KPKJPENVSA-N	317.295	3.541	50	20	DHGD	
O=C(CCCc1ccc2ccccc2c1)NNC(=O)C1CCCC1	775659567	YJKNLHVEFVPXNS-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1ccc(-c2ccco2)s1	778447258	NYONLSVLZADBTR-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1C1CCCC1	781078764	MUBWOPHYLLYGCX-CHWSQXEVSA-N	316.283	3.977	50	20	DHGD	
CC1(C)CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	785639517	YZHSFKAZKREKPH-DNXIFWLFSA-N	300.377	3.818	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCCC1CCCCC1	786956318	FXAIJZZHEVHLAB-GHRIWEEISA-N	312.413	3.776	50	20	DHGD	
Cc1cccc(C(=O)NN=C2C[C@@H](c3ccccc3)C2(C)C)n1	794571517	CYXISXHJBZIFKB-HNNXBMFYSA-N	307.397	3.690	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)cc1Br	794691332	NHSPIKMXIVSPKS-BZPKPHBRSA-N	322.202	3.980	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1C	794875530	WZCBAZAEOHOTLR-NTEUORMPSA-N	301.386	3.925	50	20	DHGD	
CC(C)COc1ccc(/C=C(/C#N)C(=O)C2CCOCC2)cc1	794952146	DTIRHPSIGHZASU-BOPFTXTBSA-N	313.397	3.624	50	20	DHGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)C1CCOCC1	794958936	PSKWMWMSKBESNM-UKTHLTGXSA-N	309.287	3.608	50	20	DHGD	
CCCN(N=C(C)c1ccc(OC)cc1O)C(=O)OC(C)(C)C	794993187	TWEQFXYBBHQTEB-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(F)c2ccccc12	795149285	QLQPIBXLXYZDAO-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C=C(CBr)COC(=O)Cc1c(C)[nH]c2ccccc12	795421396	FAXQNWIOZAPWHS-UHFFFAOYSA-N	322.202	3.513	50	20	DHGD	
N#CC1=CCN(Cc2cc(F)c(C(F)(F)F)cc2F)CC1	805747220	WQAAUNKOCFTPEP-UHFFFAOYSA-N	302.246	3.639	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCC[C@@H]2CCCC[C@H]21	806857780	WJARHOSUMNJPLL-RRFJBIMHSA-N	324.428	3.679	50	20	DHGD	
C[C@H](NCc1ccc(OCCCCl)cc1)c1ccccn1	811472186	ZLIAYPDAROUMQW-AWEZNQCLSA-N	304.821	3.940	50	20	DHGD	
Cn1cc(C(=O)NN=C2CCC[C@@H]2C(C)(C)C#N)c2ccccc21	814776809	DRBGUUVDCOEYQI-HNNXBMFYSA-N	322.412	3.614	50	20	DHGD	
O=C(NCCc1cccs1)NN=C1CC(c2ccccc2)C1	814818235	JPDUNWMQVCJKHY-UHFFFAOYSA-N	313.426	3.523	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccccn1)c1ccc(Cl)cc1	831749884	KLMNLHVSDLZGDW-CQSZACIVSA-N	303.793	3.762	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cccc(O)c1Cl	834412752	QEXNUNVFAKRFPM-RAXLEYEMSA-N	306.793	3.649	50	20	DHGD	
CCCCCCO[C@H](C)C(=O)NNc1cc(F)c(F)c(F)c1	839695692	KEVKPGZLROXAFG-SNVBAGLBSA-N	318.339	3.532	50	20	DHGD	
COc1cc(NNC(=O)c2cc(CC(C)C)c[nH]2)ccc1Cl	839747745	SYIOXQMGVLEJDU-UHFFFAOYSA-N	321.808	3.632	50	20	DHGD	
CCO[C@@H](CC)C(=O)NNc1ccccc1Oc1ccccc1	846462243	JLCOIFKXRBOYSJ-INIZCTEOSA-N	314.385	3.737	50	20	DHGD	
CCC[C@H](C(=O)NNc1cc(F)ccc1C)c1ccccn1	855369882	DSFZWKNIRHUAKV-AWEZNQCLSA-N	301.365	3.556	50	20	DHGD	
C[C@]1(C/N=C\c2cc3ccccc3nc2O)C[C@@H]1Br	856718758	NTWPHHWFIAKUHW-ZHKVGQMOSA-N	319.202	3.533	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1oc(C(C)C)nc1C#N)C(C)C	857085686	GCNXVXULWWFJBB-GFCCVEGCSA-N	306.410	3.575	50	20	DHGD	
C[C@H](NNC(=O)c1cc2c(Cl)cccc2s1)C(F)(F)F	862304583	CWAZUBKGWSCDTA-LURJTMIESA-N	322.739	3.740	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NN[C@@H](C)C(F)(F)F	862313600	KIGLYOBOQGTOQR-AAEUAGOBSA-N	308.388	3.801	50	20	DHGD	
C[C@@H](NNC(=O)CC1CCC(C(C)(C)C)CC1)C(F)(F)F	862314394	AKFRRBXNXXLTPX-VOMCLLRMSA-N	308.388	3.801	50	20	DHGD	
N#C/C(=C\c1cccnc1Br)C(=O)C1CCCC1	865220986	BOKXHTTXBQLUFD-XYOKQWHBSA-N	305.175	3.510	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc(F)cc2F)c(C)c1	876977669	ASCIBFWIRSXXQP-UHFFFAOYSA-N	322.380	3.817	50	20	DHGD	
Cc1noc(C)c1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912584529	JJXTWPYLTXJJSN-CYBMUJFWSA-N	324.497	3.528	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1cc(Cl)ccc1O	915971633	GDKNOQBKCOASBN-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
O=C(NN=Cc1ccccc1OC(F)F)c1cccc(Cl)c1	916278277	LQQNWTPUCCMIDE-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNC(=O)c1ccc2ccccc2c1	920436873	CTDPPWGKMGRVEU-HOCLYGCPSA-N	324.424	3.817	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(Cc2cccc3ccccc23)o1	1118127090	KPVQSNOZFCXCET-QINSGFPZSA-N	305.337	3.715	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@@H]2C[C@H]2c2cccs2)cc1	1325299156	RMUHNMSXHBTGON-LSDHHAIUSA-N	314.410	3.666	50	20	DHGD	
COc1cc(NNC(=O)C23CCC(CC2)CC3)ccc1Cl	1337249966	JDLHEKXORFZHEO-UHFFFAOYSA-N	308.809	3.762	50	20	DHGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)c1ccc(Cl)cn1	1346795164	NCBONQDDVUPFKT-WHXUTIOJSA-N	301.217	3.710	50	20	DHGD	
Cn1cccc1[C@H]1CCCCN1C(=O)C1CCC(Cl)CC1	1349157649	CSYLLZYSBUJRDE-ZBCRRDGASA-N	308.853	3.876	50	20	DHGD	
CCC1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCCCC1	1605133042	BJGDYFVEGGUZQT-UHFFFAOYSA-N	324.808	3.842	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1OC(F)F	7156034	QMNUQGBFTAHGBX-YRNVUSSQSA-N	309.312	3.819	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)c(F)c2)c1	16409840	TVWHXYWWZLIFBX-KPKJPENVSA-N	314.291	3.519	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccc(O)c1)c1ccccc1	41723737	ZFYFLYIQOHSMQS-QIPHDZALSA-N	306.365	3.567	50	20	DHGD	
N#Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	45225417	JOLVDCQLFFSZBC-OAHLLOKOSA-N	320.483	3.889	50	20	DHGD	
N#C/C(=C/c1ccc2ncccc2c1)C(=O)Nc1ccc(F)cc1	68301256	DJAALCQGOJGYRY-PTNGSMBKSA-N	317.323	3.920	50	20	DHGD	
CCCCN(CC)S(=O)(=O)c1ccc(CCCCl)cc1	112259891	KTZBQMSQDCIHDG-UHFFFAOYSA-N	317.882	3.669	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(F)nc1	119050327	RLXXVKXDIQNONU-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2cc(C)cc(C)c2)c1	158779687	QSXIUJSQNAYTBY-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CN(C(=O)CCCC[C@@H]1CCSS1)[C@@H]1CCSC1	162533942	SMMUOSGEUUEKCY-VXGBXAGGSA-N	305.534	3.664	50	20	DHGD	
C[C@H](CO)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184407173	DOXVWLBRFHHUPY-SSDOTTSWSA-N	320.283	3.846	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1ccc2c3c(cccc13)CC2	190719428	VDOXFMNTEAQYJW-UHFFFAOYSA-N	323.845	3.699	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)OC)o2)cc1	255388027	CWCXMPIJKIQUGS-PTNGSMBKSA-N	323.348	3.809	50	20	DHGD	
O=C(NNc1ncccc1Cl)C1CCC(C(F)(F)F)CC1	277680560	GHGJFEOLCJAIOX-UHFFFAOYSA-N	321.730	3.547	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccccc2Cl)nc1	293258774	DWSBKSBBNAUJON-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2[nH]ccc2c1	490840764	HCZFAQFXSIJVQL-ZROIWOOFSA-N	305.312	3.853	50	20	DHGD	
O=C(NN=Cc1ccccc1F)c1c(Cl)cccc1Cl	727781853	YQGRPIIVYDCCLY-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
O=C(NCCc1cc(Cl)cc(Cl)c1)NNc1ccccc1	734273865	PLFCDHYIJJXXQB-UHFFFAOYSA-N	324.211	3.862	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)cc1	734305173	KYSNEIDCGYLEFY-UNOMPAQXSA-N	304.393	3.781	50	20	DHGD	
CCc1ccc(COC(=O)/C(C#N)=C\c2cccc(OC)c2)cc1	735339263	OSVTVQRIWNBUFF-WQRHYEAKSA-N	321.376	3.908	50	20	DHGD	
CC(=NNC(=O)c1c[nH]nc1C)c1ccc(-c2cccs2)cc1	735406693	MCBSGNZGRLYVSB-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1nccs1	741766021	OWEDYRHSVRBWGT-UHFFFAOYSA-N	308.794	3.651	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NN(C)c1ccccc1	743292031	WABYHULMBNBJAG-CQSZACIVSA-N	300.377	3.562	50	20	DHGD	
Cc1ccc2c(CCC(=O)NNc3ccc(F)cc3)c[nH]c2c1	744463461	GASFMPWFXUTSPF-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
COc1ccc2ccccc2c1C=NNC(=O)CC1CCCC1	749450414	UJGIBEQFLDILIW-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
COCC(C)=NNC(=O)c1cc2c(s1)CC[C@H](C(C)(C)C)C2	750934361	DUNZVJNWJQYSQH-ZDUSSCGKSA-N	322.474	3.651	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC[C@H]2C)c(C)n1CC(C)C	751991430	SSNXHAPWYPODNE-FNHQQPGVSA-N	313.445	3.679	50	20	DHGD	
CN(NC(=O)c1ccc(CCC(F)(F)F)cc1)c1ccccc1	752610033	GSOAXWBCVGPSML-UHFFFAOYSA-N	322.330	3.963	50	20	DHGD	
Cc1c(C(=O)NN(C)c2ccccc2)cccc1-c1ccccn1	755229003	LUDZLZFEFPTGBJ-UHFFFAOYSA-N	317.392	3.838	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2cncc3ccccc23)c1	765856064	JEYNKXVDNNIASH-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
CCCCOc1ccccc1C=NNC(=O)c1ccc(C)o1	767385114	LZPJAGZUTGJMSD-UHFFFAOYSA-N	300.358	3.531	50	20	DHGD	
Cc1cc(NC(=O)[C@@H](Br)C(C)(C)C)cnc1Cl	768216613	JATKECGTYHRWNT-SECBINFHSA-N	319.630	3.792	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)c2ccccc2F)c2ccccc21	769725770	MWIIRXQKLILUBO-ACCUITESSA-N	319.339	3.985	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)c2ccsc2)c2ccccc21	769728314	UCWLBRVOLFEDCK-LCYFTJDESA-N	307.378	3.908	50	20	DHGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)CCCC[C@@H]1CCSS1	775245936	QOTLGGCSJRPVBL-MGPQQGTHSA-N	317.520	3.632	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(SC(F)F)cc1	781593775	YZIWUHPXYKDWDP-UHFFFAOYSA-N	300.374	3.888	50	20	DHGD	
C[C@@]1(C#N)CCCN(C(=O)CCCC[C@H]2CCSS2)C1	784747585	OWAHKRMKQWOXDT-ZFWWWQNUSA-N	312.504	3.853	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@@H](CC#N)c1ccccc1	793838234	HLJJSJROYFMAKV-OAHLLOKOSA-N	311.360	3.665	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)c1ccc(C#N)cc1)c1ccccc1	794501432	FIVAFIVQHZGUIO-SFHVURJKSA-N	305.381	3.714	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)C1CCOCC1	794954989	XQASFTFBHMGYIW-GHRIWEEISA-N	313.397	3.768	50	20	DHGD	
CCC/C=C/C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802089106	IHADZGZBUXBIML-SNAWJCMRSA-N	316.188	3.502	50	20	DHGD	
CCCC(=CC(=O)NNc1nccnc1C1CCC1)CCC	805460112	RQHYXXFWZCZVJH-UHFFFAOYSA-N	302.422	3.714	50	20	DHGD	
N#C/C(=C\c1cnccn1)c1ncc(C(F)(F)F)cc1Cl	809154713	CCLDRHXVLDNPNV-FPYGCLRLSA-N	310.666	3.608	50	20	DHGD	
C=C(CBr)CN(Cc1ccccc1Cl)OC	810138552	RDYXOKXNCGGWNI-UHFFFAOYSA-N	304.615	3.655	50	20	DHGD	
CC[C@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@@H](C)O1	811458946	SFSAQJQOFPOYMG-ZBFHGGJFSA-N	311.853	3.694	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1C#N)C(=O)c1cc(F)cc(F)c1	811692263	YPOZAAGWMUYPBP-QCDXTXTGSA-N	312.250	3.765	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccc2ccccc2n1	813522772	SVTSHSXLYVTGBV-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](C3CC3)C2)cc1	813843525	SVUJWWFCCANHHB-KMTKGMGQSA-N	324.424	3.641	50	20	DHGD	
C/C(C=NNC(=O)CC1CC1)=C/c1ccccc1OC(F)F	814989371	LVWXFOCMJRHSBV-UHYXAKQSSA-N	308.328	3.593	50	20	DHGD	
O=C(CC/C=C/c1ccccc1)NNc1cccc(Cl)n1	817009744	XSBJJAQDLMCJCC-RUDMXATFSA-N	301.777	3.672	50	20	DHGD	
CC1(C)CCC[C@H]1CNC(=O)/C(C#N)=C\c1ccc(F)cc1	819174140	IQIXMLKQUJJQGU-LTBFUDJGSA-N	300.377	3.675	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	833474261	OAXMGGLHMOLXQO-UHFFFAOYSA-N	312.797	3.554	50	20	DHGD	
C[C@H](CC(C)(C)O)OC(=O)CCCC[C@@H]1CCSS1	835428797	LZVXLNDEEFHCKC-VXGBXAGGSA-N	306.493	3.793	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCCC(F)(F)C2)c(Cl)c1	836935713	TXNIXKVEMQXXAP-JTQLQIEISA-N	302.752	3.917	50	20	DHGD	
CC(C)Cc1c[nH]c(C(=O)NNc2ccc(Cl)c(F)c2)c1	839697275	XIMMMUUZCFOFIB-UHFFFAOYSA-N	309.772	3.763	50	20	DHGD	
N#C/C(=C\c1ccnn1CC1CC1)C(=O)c1ccc(Cl)s1	849179638	RSECVAFBYRHNBD-YRNVUSSQSA-N	317.801	3.798	50	20	DHGD	
C[C@]1(CNC(=O)CC2CCCCCC2)C[C@H]1Br	857394981	VCUXUVHUDOMFGZ-TZMCWYRMSA-N	302.256	3.637	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1cc(C(F)(F)F)ccn1	857514155	TZCFHTVLZOMHHE-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2cccc(F)c2Cl)C1	862506682	GTZIEDRYXIPINF-WDEREUQCSA-N	314.788	3.518	50	20	DHGD	
C[C@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@@H]1Br	907774649	ZTMHVTAHAUHCID-CABZTGNLSA-N	315.236	3.523	50	20	DHGD	
C[C@H]1CCCC[C@H]1NC(=O)NNc1ccccc1C(F)(F)F	918155461	QKQSDZVBPLXNHA-CMPLNLGQSA-N	315.339	3.910	50	20	DHGD	
O=C(NC[C@H]1CC=CCC1)NNc1ccccc1C(F)(F)F	921120897	DLGCKHOQUNZNDC-NSHDSACASA-N	313.323	3.688	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)NC1CCC(F)(F)CC1	921695688	UZJAXIVQUKUSKC-UHFFFAOYSA-N	321.730	3.683	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)cc1	1318777761	GJTMDFGKPNSTDE-XDHOZWIPSA-N	323.417	3.822	50	20	DHGD	
CCc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1CC	1320141702	FIOZVQIJYNGPNL-UHFFFAOYSA-N	303.793	3.617	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnn(C2CCCCC2)c1	1325710284	OJRAGWKESPENCS-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
c1ccc(-c2nnc(CCCC[C@H]3CCSS3)o2)nc1	1326067766	GKRLLKUWPTZPOT-NSHDSACASA-N	307.444	3.998	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)Cc2ccccc2Cl)cc1	1339465557	NJCGVHIRGWULOE-UHFFFAOYSA-N	316.788	3.697	50	20	DHGD	
Cc1ccc2c(CCNC(=O)C3CCC(Cl)CC3)c[nH]c2c1	1521229752	OVWISJBVMZYEMO-UHFFFAOYSA-N	318.848	3.933	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(C(=O)O)c1	1600514910	LSXCCAWNHGRPCW-UHFFFAOYSA-N	312.369	3.574	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(F)c(C(=O)O)c2)c1C	1777443776	ZIQBHICTXOVGGX-RIYZIHGNSA-N	323.323	3.931	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cc(F)c(C(=O)O)cc2F)sc1C	1777489268	SKYBCDDSZGINCP-KMKOMSMNSA-N	320.320	3.801	50	20	DHGD	
C[C@@H](NS(=O)(=O)c1ccc(CCCl)cc1)c1ccccc1	20190753	NNGQNZCHKQXNKI-CYBMUJFWSA-N	323.845	3.507	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2cccnc2Cl)cc1	85685027	UHEHPMKMIRDKOH-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
Cc1cccc(N(C)S(=O)(=O)c2ccc(CCl)cc2)c1	88939370	MKMXDNAYNSFSOK-UHFFFAOYSA-N	309.818	3.559	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cccc(-c3ccoc3)c2)cc1	89866110	FLXFCWRLFIWIBA-UHFFFAOYSA-N	303.321	3.575	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(Cl)cc2Cl)ccn1	93098681	HDUXYAFMRPGTLE-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(C)CCN(C)S(=O)(=O)c1ccc(CCCCl)cc1	112259984	MBXRQQOQQYAMDW-UHFFFAOYSA-N	317.882	3.525	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1	153156904	FZQWGIXNMVLIPJ-VHSXEESVSA-N	304.287	3.638	50	20	DHGD	
Cc1[nH]c2c(C(=O)NNc3ccncc3Cl)cccc2c1C	154634979	JXWKDHLZWUDBBS-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccncc1Cl	174214001	NCTLGJOJRRROML-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC(O)(c2ccccc2)CC1	185518829	ZGWBNMUAJRIYIG-YBFXNURJSA-N	304.393	3.535	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	255131599	HMRUVHDUZKUKAI-VZUCSPMQSA-N	314.282	3.524	50	20	DHGD	
O=C1N/C(=N\C2CCCC2)S/C1=C\c1cccc(CCl)c1	281733580	AVGWSOHOCGKOPR-ZROIWOOFSA-N	320.845	3.928	50	20	DHGD	
O=C(NN=Cc1ccccc1Cl)c1cccc(OC(F)F)c1	728434184	VVWKAMZGEZUYCY-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCC(C)(C)CC1	735971043	VKHUWZDYPRIKHH-LBPRGKRZSA-N	306.381	3.665	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1nc(-c2ccccc2)no1	742072517	DWJIJBSRZDJQIN-ZDUSSCGKSA-N	316.405	3.786	50	20	DHGD	
CC(=O)Nc1cccc2c1CCCN2/C(=C\C#N)c1ccccc1	750791378	JJCXCVCXHLWMTR-UNOMPAQXSA-N	317.392	3.962	50	20	DHGD	
N#Cc1ccc(NNC(=O)C23CCC(CC2)C3)cc1C(F)(F)F	752635044	WFLXAJIKWOWTST-UHFFFAOYSA-N	323.318	3.600	50	20	DHGD	
CCCCC[C@H](C(=O)NNC(=O)c1ccccc1C)C(C)C	755056837	SZALLYMHKTZLOB-HNNXBMFYSA-N	304.434	3.609	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cccc2[nH]ccc12)c1ccccc1	755704492	TXBMFKOOAZJWHH-UHFFFAOYSA-N	305.381	3.596	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)c1C	759652841	LRKGISJSLAGNMA-NTEUORMPSA-N	320.400	3.554	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccccc1F)c1cccc(Cl)c1	763347160	ZHHRKIHPQJMOGQ-LLVKDONJSA-N	304.752	3.998	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccc(Cl)cn1	766746734	RGTPFIHTSYSUQB-SNVBAGLBSA-N	320.614	3.588	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2)c1C	770567430	SUBNOHJWUUAAPD-CXUHLZMHSA-N	319.339	3.860	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(F)cc2C(F)(F)F)o1	771878831	NTQRJUABSYNBJG-UHFFFAOYSA-N	314.238	3.510	50	20	DHGD	
N#Cc1ccc(NC(=O)NNc2c(F)cccc2F)c(Cl)c1	775678818	XAGICYIBVIGBRI-UHFFFAOYSA-N	322.702	3.638	50	20	DHGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)NCc1ccccc1	776721289	DYBCABHGPKGMJP-MKMNVTDBSA-N	314.747	3.702	50	20	DHGD	
Cc1nc2cc(NC(=O)NNc3cccc(C#N)c3)ccc2s1	781493155	PMWGDGFJIRLOON-UHFFFAOYSA-N	323.381	3.625	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CCC2(C)C)cc1OC	788975849	RWAQQYCIPNPTPB-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC[C@@H]2CCF)c2ccccc2n1	794866979	YJMSXAWFVZFJBI-CYBMUJFWSA-N	313.376	3.789	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	795165426	MNOFUJAVAFHTOD-GOEBONIOSA-N	324.428	3.803	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1ncccc1F	804218077	OBPGJRXCSFLZLN-STQMWFEESA-N	313.376	3.653	50	20	DHGD	
CCCN(NC(=O)C[C@H](C)c1ccccc1)C(=O)OC(C)(C)C	804594091	MWJFOZFNCARIQZ-AWEZNQCLSA-N	320.433	3.859	50	20	DHGD	
CCCN(N=C1C[C@H](OCC)[C@H]1SC)C(=O)OC(C)(C)C	807987378	IXHTUPFLOCOTPJ-STQMWFEESA-N	316.467	3.530	50	20	DHGD	
N#C/C(=C\c1cnccn1)c1nc(-c2ccc(C#N)cc2)cs1	809155159	PUZRSMUFLFWSTR-VGOFMYFVSA-N	315.361	3.536	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1CCCS1	813097747	MHLFMWOEZBBFDP-ZDUSSCGKSA-N	307.463	3.640	50	20	DHGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc(F)cc2)CC2(CCCC2)O1	830854208	OMZOMVZISSHESS-XPGOGFAUSA-N	300.377	3.724	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(/C#N)C(=O)NC1CCCC1	834412602	LBPWOLNDWUPSCQ-BOPFTXTBSA-N	320.392	3.814	50	20	DHGD	
CC(C)(CCCc1ccccc1)C(=O)NCC(Cl)Cl	837648356	GSXDSWAOHDULGE-UHFFFAOYSA-N	302.245	3.955	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@H]1CCCC1(F)F	838671587	DAHOXYDSWAAWKI-SNVBAGLBSA-N	317.767	3.710	50	20	DHGD	
CN(CCOCC(F)(F)F)CCO[Si](C)(C)C(C)(C)C	844344083	QOPOZZOPQIRULF-UHFFFAOYSA-N	315.452	3.519	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2ccccc2Cc2ccccc2)CCO1	846464064	KTAYHEYSLBEPTH-YJBOKZPZSA-N	324.424	3.536	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2cc(F)ccc2C)s1	855366353	CAZARLYGNUCKMM-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
C=CC[C@@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	855438753	OBCQFRLGDIIZPL-VXGBXAGGSA-N	302.256	3.611	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2cc(Cl)ccc2F)cc1C	871271219	HPQHSQUNVKIODZ-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
CCCCOc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC	916266891	LSERSSFDIQPXJJ-UHFFFAOYSA-N	322.405	3.733	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cc3c(s2)CCC3)c(C)c1	916315666	ZBQBVCOTSOSZIP-UHFFFAOYSA-N	312.438	3.926	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)c(Cl)c1	921262198	PGPBABIOZSNKAG-YFVDUCKESA-N	318.804	3.647	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(Cl)c(C)c1	928340263	VLMQJJFLRKUJSW-UHFFFAOYSA-N	310.825	3.855	50	20	DHGD	
Cc1cc(NNC(=O)Nc2cnn(C3CCC3)c2)ccc1Cl	934305268	XNIPYRZKBVTRFQ-UHFFFAOYSA-N	319.796	3.719	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCCC23CCCCC3)cc1	1344439520	VJABTWRPALRKNG-UHFFFAOYSA-N	300.402	3.915	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cccc(F)c1C(=O)O	1609738142	TWMFBVJTSNIAPE-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1	8117359	ODRXDOCPTLHEJF-RIYRZUHRSA-N	306.365	3.626	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc3[nH]c4c(c3c2)CCCC4)c1	88421957	QINHOBRUFXBCQZ-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2csc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	91541155	YIIZPFQZJSPYGO-LFYBBSHMSA-N	315.310	3.937	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1	134283284	JNPRSLAPWFFFLG-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
Cc1ccc([C@@H](C)NC[C@H](C)CBr)cc1[N+](=O)[O-]	152800660	HIGBNXVFQFOAPL-MWLCHTKSSA-N	315.211	3.585	50	20	DHGD	
Cc1ccc(CN(C(C)C)S(=O)(=O)CCCCCl)s1	153693176	OQMVEMIOYGEEEP-UHFFFAOYSA-N	323.911	3.616	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OCC	172692770	YGFKXTJZOVRJRQ-ZMTLZGASSA-N	316.357	3.906	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1	174165154	CAXGOGVNPYSCKI-UVTDQMKNSA-N	307.353	3.791	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc(F)c1F	175407959	IGKHRRQDKFEQNM-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CC(C)[C@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CCS1	177355666	OBRCPGKTUFJORU-UBYXTUIOSA-N	317.414	3.533	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2n[nH]c3ccccc23)cc1	183185403	DKJBFSDLLGQFQJ-UHFFFAOYSA-N	322.412	3.546	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1scnc1C	252517318	FKDGHZJKXXAOBZ-UHFFFAOYSA-N	317.458	3.508	50	20	DHGD	
CN(NC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F)c1ccccc1	272284270	IVPRUFPUDRBPEX-LBPRGKRZSA-N	317.355	3.704	50	20	DHGD	
C[C@@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC=C(C#N)CC1	272665419	ISNKAXSNRHQHDU-LBPRGKRZSA-N	322.330	3.566	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2cccc3c2CCCC3)CCO1	272732105	AYZRJZSCPYZLME-GDBMZVCRSA-N	316.445	3.604	50	20	DHGD	
Cc1nc2c(C(=O)NNc3cccc4c3CCCC4)cccc2o1	281740366	XRZYQBWGQWVKEW-UHFFFAOYSA-N	321.380	3.772	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccncc2)cc1Cl	290522869	UOBOKTCEBQSOHL-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CSSCCNC(=O)c1cc(Cl)c2ccccc2n1	397775317	AXPCFNPYZVKVCV-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
N#C/C(=C\c1cc(F)ncc1F)C(=O)Nc1ccc(Cl)cc1	490944249	VQSPPXMTCJAXGI-BJMVGYQFSA-N	319.698	3.559	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](c1ccc(Cl)cc1)C(C)C	491102340	HNOZZDIMFSDZQX-NRMKIYEFSA-N	306.793	3.597	50	20	DHGD	
COc1ccccc1C[C@H](C)CC(=O)NNc1ccc(F)cc1	730521804	KWARUIFAQHWVIC-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
COc1ccccc1CC(C)=NNC(=O)C(C)(C)c1ccccc1	731152468	JJNHFVRUMFBHEN-UHFFFAOYSA-N	324.424	3.708	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(C)c(F)c2)cc1	731486846	XIFCPDINFCXRPV-UHFFFAOYSA-N	316.401	3.685	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1c[nH]cc1-c1ccccc1	733363293	WIAXWGJEGVFQCU-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
CN(NC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1)c1ccccc1	738498268	ZDYLWYNJYXLIOH-IEBWSBKVSA-N	323.440	3.748	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1csc(C)n1	741765705	KAYJOKWYIPXRKP-UHFFFAOYSA-N	322.821	3.959	50	20	DHGD	
Cc1cc(NNC(=O)[C@H](C)c2ccco2)ccc1Br	743415939	GTWZXHMRHCUSMQ-SNVBAGLBSA-N	323.190	3.597	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)cc1O)c1cc(F)ccc1F	743438222	LGEFCXQAXAJUHA-UHFFFAOYSA-N	318.323	3.523	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2C[C@@H]2c2sccc2C)ccc1[N+](=O)[O-]	748834909	UBZDJOIGYMVEGE-STQMWFEESA-N	317.366	3.982	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc(C#N)c1)CCc1ccccc1	749158910	YDCUSGTUMCUOFR-OAHLLOKOSA-N	305.381	3.543	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)c2cc3c(s2)CCC3)s1	758366809	UDIKMBOIKIDBJY-UHFFFAOYSA-N	319.455	3.581	50	20	DHGD	
CC(C)n1nccc1C(=O)NN(c1ccccc1)c1ccccc1	764724272	UWYJDIGNOODQLD-UHFFFAOYSA-N	320.396	3.947	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@@H](c2cccc(F)c2)C1	770650144	QSVBJPYATHZXNT-WCQYABFASA-N	300.215	3.646	50	20	DHGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1cccnc1	776758207	IUYLCVGMQCOTJZ-UHFFFAOYSA-N	309.344	3.574	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccc(C)cc3)no2)cn1	780148961	VTYMDSFWKSTCJP-DHDCSXOGSA-N	318.336	3.513	50	20	DHGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)c2ccc(O)cc2)C1	780188492	SIIRVMIWWOQFPN-LJQANCHMSA-N	308.381	3.620	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	790101455	YGMMKFZXCXTCBA-ATVHPVEESA-N	312.413	3.689	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cnn(CC(C)C)c1	799403939	QKGHGTUNUIKTAZ-UHFFFAOYSA-N	315.421	3.559	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1coc(C(C)C)n1	799478329	BMBNFVGZIHEJQN-UHFFFAOYSA-N	313.401	3.661	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@@H]1CCCF	800808406	SBSJGQGZZHMQDA-QWHCGFSZSA-N	324.371	3.615	50	20	DHGD	
CCOC1CC(N(C)C(=O)CCCC[C@@H]2CCSS2)C1	807820566	XZMWMAQJZOGCLK-JXQTWKCFSA-N	317.520	3.726	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Cl)cc1Cl	808247692	LHGVVNQGEIHAQR-UHFFFAOYSA-N	301.000	3.869	50	20	DHGD	
CCOC(=O)NN=C(C)c1sc(-c2ccc(F)cc2)nc1C	814693402	NVDKBAIOTLOCOS-UHFFFAOYSA-N	321.377	3.728	50	20	DHGD	
CCOc1ccc(NNC(=O)CCCc2sccc2C)cc1	817886145	XGABEAITIDBFMU-UHFFFAOYSA-N	318.442	3.921	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1(F)CCCCC1	819748124	WGWMDFIJVZCCGB-UHFFFAOYSA-N	306.168	3.504	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ccccc1Br	827506436	RVIGSXILQFZVSE-HZMBPMFUSA-N	311.223	3.719	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	832967947	FBROSLZBZPQTRW-XYPYZODXSA-N	315.339	3.760	50	20	DHGD	
O=C(NN=C1CCCC12CCC2)c1cccc(Br)c1	834961280	DTXPHFOODQCGTH-UHFFFAOYSA-N	321.218	3.889	50	20	DHGD	
CCCN(Cc1ccc(OCCCCl)cc1)C1CCNCC1	843044130	DXLXQEOEDCWIFS-UHFFFAOYSA-N	324.896	3.658	50	20	DHGD	
C[C@@H]1SCC[C@@H]1NC(=O)CCCC[C@H]1CCSS1	844115865	PFWCAWLFYYVCPF-SRVKXCTJSA-N	305.534	3.711	50	20	DHGD	
Cn1c(NNC(=O)c2cccc(C3CCC3)c2)nc2ccccc21	848380673	NZRZLQOTKARYEO-UHFFFAOYSA-N	320.396	3.598	50	20	DHGD	
Nc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)c1	852843118	QQOWKFBASUZLKR-CQSZACIVSA-N	310.488	3.599	50	20	DHGD	
Cc1nn(C)c2nccc(OCCO[Si](C)(C)C(C)(C)C)c12	853694892	OMALWILRONOZMZ-UHFFFAOYSA-N	321.497	3.677	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccc(OC(C)(C)C)c1	865223416	HQTYCUGKFCOAIC-RVDMUPIBSA-N	307.415	3.553	50	20	DHGD	
CCc1cc(SC#N)cc(C)c1NC(=O)CC(C)(C)C(=O)O	872832331	AMWMVKMAMIVOLA-UHFFFAOYSA-N	320.414	3.570	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2C2CC2)cc1C	899345936	YQTFBVWRAHPFNM-SXGWCWSVSA-N	305.381	3.704	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(C)(C)C)c1C	915169553	YDTKNCCLLSKTOE-SFQUDFHCSA-N	315.461	3.974	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccc(Cl)cc1	916254488	YDIGKTWTUIBASU-RZFFKMDDSA-N	302.805	3.882	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1ccc(C)s1	917026349	FPNGARQLWIUICX-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
CN(NC(=O)NCCc1cccc2ccccc12)c1ccccc1	918779679	PCPVKFRHQWYARP-UHFFFAOYSA-N	319.408	3.733	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	928336923	DUYWMSCYVMZDRC-AAEUAGOBSA-N	322.836	3.733	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2sccc2C)ccc1F	1253611715	HZCYPWSYIDQQQS-KPKJPENVSA-N	301.342	3.994	50	20	DHGD	
COc1ccc(C(=O)NN=CCc2ccc(C(C)C)cc2)cc1	1319637442	KIFFWUPEGVASCL-UHFFFAOYSA-N	310.397	3.777	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)c2cncn2-c2ccccc2)C1	1321885957	HKEAWTGJPOLGIO-CQSZACIVSA-N	310.401	3.558	50	20	DHGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)c1ccccc1Cl	1323145629	JEPSILDFCVFQHB-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
CCc1ccc(-c2nc(C(=O)NNc3ccccn3)cs2)cc1	1323515212	MYNDMHDYCGTXND-UHFFFAOYSA-N	324.409	3.524	50	20	DHGD	
Cc1ccc2c(c1)CN(C(=O)C1CCC(Cl)CC1)CCO2	1352191157	YBWQPPVAMAJUJK-UHFFFAOYSA-N	307.821	3.514	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)NNc1cccc(C(=O)O)c1C	1605265260	JBKFPZYAZGAMLU-LBPRGKRZSA-N	321.421	3.678	50	20	DHGD	
Cc1ccccc1NS(=O)(=O)c1ccc(CCCl)cc1	20190826	HCTXHBQXEHLUQC-UHFFFAOYSA-N	309.818	3.577	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccccc1OC(F)F	30615181	GNHHEVFLLKDSTE-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2F)c1	43079047	MUTIFHZVCHOGOG-KPKJPENVSA-N	314.291	3.519	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(F)cc1Cl	66326468	WWXROFZTTKEBDK-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ncsc1C(=O)NN=C(c1ccccc1)c1ccccc1	71945351	XFBGLCILDBZMOR-UHFFFAOYSA-N	321.405	3.634	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2)cc1	89284915	RQZXNTDDAJDAKO-MHWRWJLKSA-N	319.339	3.805	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)N(C)C1CCCCC1	112224658	DJJDJQVZVVJVRX-VBKFSLOCSA-N	312.413	3.702	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1nc(C(C)(C)C)cs1	114961442	ALPQENJNSGJDMF-NSHDSACASA-N	318.446	3.828	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(c2ccc(F)cc2)CCC1	119015679	RJEOQGZJDJDQSQ-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1ccccc1Br	153424381	YDAVHBVZQCHAAQ-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)n2)sc1C	155801928	LCUPXNXBGDVSMG-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
CCOC(=O)CC[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	162156512	MOFVTEOOFOMDBS-YAJBTMAUSA-N	312.413	3.606	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cc(C#N)cs2)cc1	176838523	BSVIJDNNXKLEGA-ZSOIEALJSA-N	307.378	3.728	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(OCC#N)cc2)cc1	184838587	CYYXATZABWVEMQ-ATVHPVEESA-N	302.333	3.687	50	20	DHGD	
Cc1ccc([C@@H](C)N(C)S(=O)(=O)CCCCCl)c(C)c1	275570981	PFPPIZWGTWMHES-CQSZACIVSA-N	317.882	3.645	50	20	DHGD	
C=C(CBr)CN1CCC(OCc2ccccc2)CC1	279502899	QPZRSRZWNWLLCV-UHFFFAOYSA-N	324.262	3.619	50	20	DHGD	
Cc1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C2CC2)n1	282407521	QPMJUCUMTGGAKN-UHFFFAOYSA-N	324.428	3.717	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2cccc(C(F)(F)F)c2)c1	490783685	SIHISXNNAAFYFM-KPKJPENVSA-N	319.286	3.590	50	20	DHGD	
Cc1nc2ccc(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cc2o1	490842059	KFERMARNCYUFDT-MDWZMJQESA-N	321.311	3.821	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(Cl)ccn1)c1ccccc1Cl	588396474	PZGKTNGLSBLFCM-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
CCC[C@H](C)[C@@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588608771	UFOYWIXEVWRVLN-MRJXLTKZSA-N	312.413	3.726	50	20	DHGD	
CC(C)(CNC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCCC1	588609366	VWBJIYFMYUAFNX-RVDMUPIBSA-N	312.413	3.632	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccnc2ccccc12)c1ccccc1	731316545	AEQAWIONPPNGEA-UHFFFAOYSA-N	317.392	3.663	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3cc(F)c(F)cc3F)oc12	734552554	WVUDXEDDHKONOO-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3c(F)cccc3F)cc2c1	735698559	QQXWNDQQOUCWQF-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)c1cccc2cccnc12	747355773	AAINLULBFUOATO-UHFFFAOYSA-N	317.392	3.973	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C/C=C/c1ccc(F)cc1	747751202	IWWJGMHETYGMRG-JSCUBZSYSA-N	321.355	3.596	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cccc(-c2ccccn2)c1	747753079	ACLORKKMGNCWGI-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2cccc(Br)c2)o1	748020694	NKWWZZYGDUPBLP-SNVBAGLBSA-N	323.190	3.597	50	20	DHGD	
O=C(NNc1ccccc1Cl)C(F)(F)c1ccc(F)cc1	748307673	NVAJLFNQMHLAHO-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761394215	UTXVJAIPJBDOJX-WEVVVXLNSA-N	301.148	3.564	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2F)cc1	764892658	XYPYQUZQMKGMQY-RIYZIHGNSA-N	310.284	3.832	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc(Cl)c(Cl)[nH]1	770337164	PMYGSJJGKUSESS-YFKPBYRVSA-N	314.994	3.509	50	20	DHGD	
C[C@H](C(=O)OC[C@@H](C)CBr)c1c(F)cccc1F	770407000	HKCHAQWXPWXVEO-IUCAKERBSA-N	321.161	3.643	50	20	DHGD	
C[C@H](CBr)CN(Cc1ccc(F)cc1)C1CC1	770644488	KLBVZRHNITZZSN-LLVKDONJSA-N	300.215	3.821	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(Cl)cc2F)cc1	783510046	SQDXPRAGJMVXSU-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
CSSCCNC(=O)CCc1ccc2ccccc2c1	791096887	ISJSJFFJTVBSIS-UHFFFAOYSA-N	305.468	3.900	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CC[C@@H](C)C2)cc1	794251588	APPAFXYTPVPUKZ-IMQDNRRESA-N	312.413	3.545	50	20	DHGD	
O=C(CCc1ccccc1)NN=C1CCC[C@H](c2cccnc2)C1	799878364	VMKAFVMAIKMCGO-KRWDZBQOSA-N	321.424	3.844	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1cc(Cl)ccc1O	800809889	YKXKHVLKIRVVNV-SNVBAGLBSA-N	312.772	3.681	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2ccccn2)c(-c2ccnn2C)c1	801647503	LFAMXDWLIHPPEC-VBKFSLOCSA-N	300.365	3.855	50	20	DHGD	
CCc1nc(CC(=O)NNc2c(C)cccc2C(C)C)cs1	812765301	DHXUUVCYQHTMFW-UHFFFAOYSA-N	317.458	3.823	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C1Cc2ccccc2C1	812766908	ZKXXQBGYHCIJRJ-UHFFFAOYSA-N	308.425	3.977	50	20	DHGD	
Cc1cccc(Br)c1C(=O)NNc1ccccc1F	813493929	RMIQMABNOPDAOS-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1sc(C)nc1C	815005800	WBLYBDPFEQFZMU-UHFFFAOYSA-N	324.356	3.584	50	20	DHGD	
O=C(NCC(Cl)Cl)C1CCC(c2ccccc2)CC1	819793382	DCMUPTLZTSXCSX-UHFFFAOYSA-N	300.229	3.880	50	20	DHGD	
CC(C)n1cncc1C=NNC(=O)c1ccc(C(C)(C)C)cc1	819804928	LJQZRKUQSRIUFH-UHFFFAOYSA-N	312.417	3.525	50	20	DHGD	
O=C(CC[C@@H]1CC1(Cl)Cl)NNc1cccc(Cl)c1	820686734	SWCRCYHPZRYKLZ-MRVPVSSYSA-N	307.608	3.757	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cn(CC(C)C)nc1C(F)F	824113505	GIFZXCOSTKVBPU-UHFFFAOYSA-N	322.359	3.542	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(C)o1)O[C@H](C)C2	840723583	XWNKTTZNQOEYBP-FKZYXTMDSA-N	323.348	3.710	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc(F)ccn1	857313207	QAMRDRAGUAGKSH-NSHDSACASA-N	300.424	3.873	50	20	DHGD	
CCC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	857555861	CWBZQLMWYBOERJ-HNEYUBDGSA-N	301.434	3.727	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NN[C@@H](C)C(F)(F)F	862318348	SBHDYJQMHGOXGO-WOPDTQHZSA-N	314.351	3.548	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(c2ccccn2)CC1	868492573	ZALREQJSVJXNPG-UHFFFAOYSA-N	309.413	3.688	50	20	DHGD	
C[C@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1Br	907774651	ZTMHVTAHAUHCID-SKDRFNHKSA-N	315.236	3.523	50	20	DHGD	
Cc1cc(NNC(=O)Nc2cc(C)n(C(C)C)n2)ccc1Cl	931778071	FTXSBTWKEMQSPN-UHFFFAOYSA-N	321.812	3.883	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccccc1Cl)c1ccc(F)cc1	1320211819	BGGLPEVDTPXFGQ-NSHDSACASA-N	304.752	3.998	50	20	DHGD	
O=C(N[C@H](c1ccncc1)C1CC1)c1cccc(CCl)c1	1336141642	LTYGXCOGSFYVLW-INIZCTEOSA-N	300.789	3.702	50	20	DHGD	
Cc1noc(C)c1[C@@H](C)CNC(=O)c1cccc(CCl)c1	1336415449	BPELSZSPUDAWLG-JTQLQIEISA-N	306.793	3.564	50	20	DHGD	
Cc1cnc(C(C)(C)NC(=O)C2CCC(Cl)CC2)s1	1346984986	JOOFVUKVSFUIBT-UHFFFAOYSA-N	300.855	3.600	50	20	DHGD	
CC[C@H](SC)C(=O)NNc1c(Cl)cc(F)cc1Cl	124505214	FKFIIEMYTPLKJD-VIFPVBQESA-N	311.209	3.717	50	20	DHGD	
CC(C(=O)NNc1ncc(Cl)cc1Cl)=C1CCCC1	133077328	VEFKKBVDUBOHTR-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
COc1cc(C2(C(=O)NNc3ccccc3)CCCC2)ccc1C	151255314	DPTODACYQBJRRL-UHFFFAOYSA-N	324.424	3.959	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ncccc1Cl	151746238	VDVPKLVPNMXMRV-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccc(F)cc1F	158145656	MLTWQKMCJZYLRK-MNOVXSKESA-N	308.353	3.582	50	20	DHGD	
Cc1cccc2c(CCC(=O)NNc3ccc(F)cc3)c[nH]c12	159735720	GPHHCFNTTQNRPX-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(c2ccc(Cl)cc2)CC1	160727287	XJMVXZCUFZATNK-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
CC[C@@H](NC(=O)NNc1c(C)cccc1F)c1c(C)noc1C	185606029	DLQXZRVEIJOFJQ-CYBMUJFWSA-N	320.368	3.516	50	20	DHGD	
COc1ccc(C(=O)NNc2cccc(C)c2)c(OC(C)C)c1	188132275	MDJRRFJXIYEENU-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(C(C)C)c([N+](=O)[O-])c2)c1	189596996	CYNVGDVLLZNBBD-UHFFFAOYSA-N	313.357	3.784	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1	194537711	RBUICVRIRPIUIL-VGOFMYFVSA-N	312.319	3.821	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc(N2CCCCC2)cc1	252624385	PNAZGMAQDPMFIA-UHFFFAOYSA-N	321.424	3.831	50	20	DHGD	aggregator
O=C(NN=C/C=C/c1ccccc1)c1cc(-c2ccccc2)n[nH]1	254488601	YNZSEBRDZMTLQU-UAPMUVCSSA-N	316.364	3.506	50	20	DHGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNc2ccc(Cl)cc2)CCO1	272918707	STDULSWUCVYYQV-SWLSCSKDSA-N	310.825	3.624	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1	490784256	YIPDDWQGGARPIG-SXGWCWSVSA-N	319.339	3.860	50	20	DHGD	
CC1(C)CCN(C[C@H](CBr)C2CC2)CCS1	701848996	RYWHEWDNFKDGAR-LBPRGKRZSA-N	306.313	3.625	50	20	DHGD	
O=C(C[C@H]1C=CCC1)NNc1ccnc2cc(Cl)ccc12	725899531	AAYXGZQJKQLVLL-NSHDSACASA-N	301.777	3.688	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)c2cccc(N(C)C)c2)CC1	729636320	YRGRKACREYJUAK-UHFFFAOYSA-N	301.434	3.685	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccccc1Cl)c1ccccc1	731931316	FDWONBOHMPERKE-OAHLLOKOSA-N	300.789	3.984	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CC1	733078385	LRGAXOKUYOQXMT-UHFFFAOYSA-N	324.428	3.804	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1nccc2sccc12	734250018	MOXXFVNTDUEPBR-NSHDSACASA-N	303.431	3.956	50	20	DHGD	
Cc1ccc2c(c1)CCC2=NNC(=O)Nc1ccc(N(C)C)cc1	741767680	XYXDSXVZKYSDKZ-UHFFFAOYSA-N	322.412	3.533	50	20	DHGD	
CCOc1ccc(C(=O)NN=CC2CCCCCC2)cc1OC	741837549	LWSCQZKPTAUTJZ-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1ccnc2cc(Cl)ccc12	743296043	FXWFZYLXDXGQKY-UHFFFAOYSA-N	317.698	3.674	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-n3nccc3C)cc2)c1	747543312	CLLFFZRHIZQLJV-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1cccc(Br)c1	748030049	ISQPDPFHKCUGQD-NSHDSACASA-N	313.239	3.965	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(C(F)(F)F)c1)C1CCCC1	749521843	BVCMBFVGFCLCEB-JTQLQIEISA-N	300.324	3.975	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	752475439	JROZEVSANCHYSA-FGHFOZFQSA-N	312.388	3.818	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2cncc3ccccc23)c1	765604215	LPBCVMUFCIKVER-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(F)c(F)c(F)c1	768174226	FDTKTHNCDCPDHX-SNVBAGLBSA-N	324.140	3.852	50	20	DHGD	
CN(C)C(=O)NN=Cc1ccc(SCc2ccccc2)cc1	771884723	PGBKVQWIKKXSGB-UHFFFAOYSA-N	313.426	3.584	50	20	DHGD	
CCCC(CC)=NNC(=O)c1sc2nc(C)cc(C)c2c1N	776184894	AURUCLYSSMQITO-UHFFFAOYSA-N	318.446	3.791	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc3ccccc3n2)c(O)c1	777464726	ZAQFGZKIKHOBTP-UHFFFAOYSA-N	321.380	3.821	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2cc(C)cc(C)c2)cc1C	778392060	ISYHZEVAGLAHIR-ZDUSSCGKSA-N	300.406	3.536	50	20	DHGD	
N#CC1=CCN(Cc2cccc(C(=O)Nc3ccccc3)c2)CC1	779588314	XZWNSZQVDCJKOH-UHFFFAOYSA-N	317.392	3.595	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)[C@H](C)CC	779869586	JZMYKMSFKJPOOR-YPMHNXCESA-N	321.490	3.557	50	20	DHGD	
COc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)ccc1F	780804503	DXKSGCOMEVUWIK-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
Cc1ccc(CN(C)C(=O)[C@H](Br)C(C)(C)C)cc1	781070516	JSWHQHUDTMUMHL-ZDUSSCGKSA-N	312.251	3.763	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	793481467	JPPRRDKXQADOCD-CRAIPNDOSA-N	304.434	3.544	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CCC[C@H]2c2ccccn2)cc1	794880725	SRBCNHSPESVBNC-INIZCTEOSA-N	307.397	3.698	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1CCCC[C@H]1O	794952550	GKBQHWUAQPPDMN-GOEBONIOSA-N	304.434	3.503	50	20	DHGD	
CC(CCCCO)=NNC(=O)Nc1ccc(Cl)cc1Cl	814995491	JUJYZBLMLUZUPS-UHFFFAOYSA-N	318.204	3.653	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(Cl)nc(Cl)c1)C(C)(C)C	819742996	JCGJKCWGWYWBHN-YVMONPNESA-N	302.205	3.824	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@@H]23)ccc1Br	825855313	ULBHASFALVVFPO-NTZNESFSSA-N	323.234	3.637	50	20	DHGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)c1ccccc1F	834917987	NRTJQMXFDVGCEU-UHFFFAOYSA-N	318.392	3.813	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(OC)c(OC)c1)C1CCCC1	834919019	DVHDGKUEWDILRB-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ncc(F)cc1F)c1ccc(C)cc1	837206018	HUEXRCUNHDUXLG-LBPRGKRZSA-N	319.355	3.695	50	20	DHGD	
Cc1cc(C)c(CNC(=O)NNc2ccc(C(C)C)cc2)cn1	838719502	IGEKIOYMUZGNCW-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
C=C(CBr)COC(=O)Cc1cccc(C2CC2)c1	840612988	WAVQYGYQZFDFKY-UHFFFAOYSA-N	309.203	3.601	50	20	DHGD	
Cc1nc([C@H](C)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)no1	852523771	BHCNNCOJKMPVPB-WCQYABFASA-N	311.502	3.535	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCCSCC#N)C1	852525387	YWYQDMVMVNWZHW-AWEZNQCLSA-N	314.571	3.729	50	20	DHGD	
O=C(NN=C1CCCCC12CCCC2)c1cccc(Cl)n1	853410399	LSXICEHHXOVSMX-UHFFFAOYSA-N	305.809	3.955	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccc(C)c(F)c2)s1	856231966	NIEZBEILLFXKTN-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
CSc1ccc(C(=O)OC[C@H](CBr)C2CC2)o1	859553674	IBSSDQHHCJUNDN-VIFPVBQESA-N	319.220	3.579	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cn(C)nc2C2CC2)c1	899344016	JBMQHDPXTZPSPF-SXGWCWSVSA-N	305.381	3.704	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccsc3)cc2)cn1	1116875196	BPVUIBZAUGKBMP-PXNMLYILSA-N	319.389	3.938	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccn2C2CC2)cc1	1331389741	WGVOVDZKTLSNJO-OWBHPGMISA-N	321.380	3.767	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C1CCC(Cl)CC1	1348140159	MMGJEVMQCXUZAE-UHFFFAOYSA-N	318.751	3.529	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)cc1	120442264	KAZQVHCKQBMHSS-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCSc2ccccc2)c1	127632421	PTOCJIQKZJGGSR-UHFFFAOYSA-N	304.390	3.760	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1cc2c(s1)CCCC2	132073957	KRVXBSJHSUPMTO-AATRIKPKSA-N	320.845	3.958	50	20	DHGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1ccc(Cl)cc1	152965176	ILJHHVKUYKQDNN-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2ccc(F)cc2F)CCC1	180782923	YAVFFSZUUHLVKH-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1ccccc1	198300795	YHTNZYDKLXDIIZ-WJDWOHSUSA-N	302.333	3.551	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccnn2CC)cc1	255081542	ZNSJDAZGPSQQKU-IZCBMXNHSA-N	322.412	3.962	50	20	DHGD	
C=C(CBr)CN(C)[C@H](C)c1sc(C)nc1C	279592841	DOSDQIXHTOPGHN-SNVBAGLBSA-N	303.269	3.704	50	20	DHGD	
CCN(CC)CC1CCN(C(=O)c2cccc(CCl)c2)CC1	315646698	WXNVPLLUVBJLAX-UHFFFAOYSA-N	322.880	3.619	50	20	DHGD	
CCCCn1nc(C)c(C=NNC(=O)CC(C)(C)C)c1Cl	728431548	XQLXJYAHLMJLRC-UHFFFAOYSA-N	312.845	3.531	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2cccc(OC(F)F)c2)c1	728433628	LIVQWFZFQITTMP-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1	730288558	RDLTVDPQYPAQID-UHFFFAOYSA-N	319.408	3.612	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1cccc(OC(F)(F)F)c1	730951427	NBVAZXXCDSBZFJ-UHFFFAOYSA-N	316.323	3.862	50	20	DHGD	
CCCCC(COC)=NNC(=O)Cc1cccc2ccccc12	737429293	RGURSFQHSXQCNV-UHFFFAOYSA-N	312.413	3.691	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C12CCC2	741162498	FKKHIHPWDCZJMG-SFHVURJKSA-N	322.408	3.905	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1cccc2c1CCCC2	748578113	ZSABOROTCCXVPS-UHFFFAOYSA-N	320.392	3.997	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1cccc2c1CCCC2	748589100	SJWPGWUTJNGBOS-UHFFFAOYSA-N	318.461	3.730	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1C(F)(F)F)C1CCCC1	749340889	SJVPTLLFNVOKPV-SNVBAGLBSA-N	300.324	3.975	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1ccc2ccccc2c1O	749450903	FQYHBIMUUOHDOH-UHFFFAOYSA-N	310.397	3.966	50	20	DHGD	
CC(C)CC1(C(=O)NNC(=O)c2ccc3ccccc3c2)CCC1	756916514	FEOKYYNYRNZICT-UHFFFAOYSA-N	324.424	3.817	50	20	DHGD	
CCN(C[C@@H]1COc2ccccc2O1)/C(=C\C#N)c1ccccc1	764121584	LZFKIXZGJHLAKO-ZCWPUFOUSA-N	320.392	3.713	50	20	DHGD	
Cc1cc(C(=O)N2CC=C(C#N)CC2)c(C)n1-c1ccc(F)cc1	767177701	MOPOECAQKOYTDA-UHFFFAOYSA-N	323.371	3.529	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768332256	QWZDQHMXHDDQPW-GFCCVEGCSA-N	323.393	3.653	50	20	DHGD	
CC(C)(C)c1cnc(NC(=O)NNc2ccc(F)cc2)s1	770049863	ZBQQAEHORPGQGX-UHFFFAOYSA-N	308.382	3.728	50	20	DHGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)NNc1ncccn1	775489331	YNUWUPCRQPQVPO-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H]2CCC[C@@H](C)C2)ccc1Cl	788876095	VZGJZGNMXYIWBG-GHMZBOCLSA-N	311.813	3.553	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NN=C1CCC2(CC1)CC2	792627368	PRFDOLCFDMJHJE-UHFFFAOYSA-N	306.793	3.545	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(F)cc1Cl	795341348	GOSQBPQSCNWAEK-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1cnc2ccccc2c1	798658878	AFYMLOPGYGNRJH-ZDLGFXPLSA-N	314.344	3.885	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@H]32)cc1	806787894	OTNBRPPMYGZGQW-KBRIMQKVSA-N	302.418	3.745	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccc(OC)c(OC)c1	807945883	VQECTCSXQKPPIC-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	807946738	ROPOCOPRHAQMSD-OAHLLOKOSA-N	309.413	4.000	50	20	DHGD	
COC[C@H](NC[C@H](C)CBr)c1cccc(Cl)c1	808801562	YXIGSJOWDPBAAM-MFKMUULPSA-N	320.658	3.648	50	20	DHGD	
N#Cc1cccc(CNCc2ccc(OCCCCl)cc2)c1	811474289	XGKHDALOOIVNCL-UHFFFAOYSA-N	314.816	3.856	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)c1nc2ccccc2n1C	812239702	BBXFRVBYNRQNDC-UKTHLTGXSA-N	307.328	3.785	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CC[C@@H]1C1CC1	814747639	CHPYDYDNCDFTDB-FZKQIMNGSA-N	322.408	3.899	50	20	DHGD	
COc1ccc(CCC(=O)NN=CCC2CCCCC2)cc1	814814736	XZBCLBWPSRLTOT-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
Cc1ccc(NC(=O)NN=C2CCC[C@@H](C#N)C2)c(Cl)c1	814856523	MQMJDKHLZWGYNY-LLVKDONJSA-N	304.781	3.840	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1cccc(Cl)n1	817006050	TZJRCIUKFJTVPD-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967938	DYTNHGPLPIJGQG-ZYHUDNBSSA-N	315.339	3.760	50	20	DHGD	
CC(C)(C)OC(=O)Nc1ccc(C=NNC(=O)C(C)(C)C)cc1	834941420	XJMFZUGWMFDGTN-UHFFFAOYSA-N	319.405	3.530	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C)c(C)cc2Cl)n1	836713731	ZHEMWRLUTTVKAE-UHFFFAOYSA-N	319.796	3.512	50	20	DHGD	
C/C(=C\C(C)(C)C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823879	YZAOJWDKDRLHIE-CMDGGOBGSA-N	311.769	3.684	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2csc(C3CC3)n2)cc1	837056873	UAMUXQWSTCRBEO-UHFFFAOYSA-N	301.415	3.901	50	20	DHGD	
COc1ccc(CNC[C@@]2(C)C[C@H]2Br)cc1Cl	856806514	FXEYESKHSZMTHA-CHWSQXEVSA-N	318.642	3.612	50	20	DHGD	
Cc1nc([C@H](C)NC[C@@]2(C)C[C@H]2Br)c(C)s1	857066167	YNRZDHSKMXOMNR-HNBZJPLGSA-N	303.269	3.584	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NC[C@]1(C)C[C@H]1Br	857689629	LYSVKNGPIUEBFM-CJNGLKHVSA-N	324.262	3.545	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc2occc2c1	863008159	JKISPTARJHTREG-UHFFFAOYSA-N	317.776	3.737	50	20	DHGD	
CC(=NNC(=O)NCC(F)(F)F)c1ccc(C(C)(C)C)cc1	917553895	XFYKYDDPGNYBRM-UHFFFAOYSA-N	315.339	3.570	50	20	DHGD	
CC(C)C(=O)NN=Cc1cccc(OCc2ccccc2F)c1	920368298	MISDCFBBQGRRIJ-UHFFFAOYSA-N	314.360	3.511	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1C=CCCC1	1340263670	XJXAZSAIPVELDK-SNVBAGLBSA-N	300.189	3.728	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)O)c1F	1592465684	JJXBNPOHRREFDB-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1O	6537430	UKCGAPJAIRVPFI-XNTDXEJSSA-N	322.364	3.645	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(c2ccc(F)cc2)CCCC1	45971440	OXUJHDJNCIWSAI-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cnc2ccc(F)cc2c1	89520983	ACWUPVQSKYCCTB-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CN(CC(C)(C)C)S(=O)(=O)c1ccc(CCCCl)cc1	112260057	RXOXAZULJINGAB-UHFFFAOYSA-N	317.882	3.525	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cccc(OC(F)F)c1	120383787	VOMVMHKMRPRXNH-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1ncc(Cl)cc1Cl	132766485	PMLAEQAIOQLHJF-QMMMGPOBSA-N	322.261	3.753	50	20	DHGD	
COc1ccccc1C[C@H](C)CC(=O)NNc1cccc(F)c1	154704605	FYPCIGOHOIJGMJ-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
CC(C)(C)[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1	163432708	IZGIRBLFOXFSPU-AWEZNQCLSA-N	317.882	3.712	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2cccc(Cl)c2)cc1	164075671	NRVIHOHSUMAQOR-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CCCOC	175631489	JHFGFSSTWABBLJ-UHFFFAOYSA-N	306.431	3.750	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ccccc3)cc2)c1	176783166	TZBWMQGLOBJHPT-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc1F	212599756	IDNBNWMTHJJQBS-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1	264163534	TXTCRXNLZGWUEI-LLVKDONJSA-N	316.426	3.638	50	20	DHGD	
CCOC(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	490561016	SHTAWOAGGDZKHL-UHFFFAOYSA-N	309.778	3.544	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCCc1cccs1	490972371	KARRWRLTJOTFHT-SDNWHVSQSA-N	314.385	3.543	50	20	DHGD	
Cc1cc2ccccc2n1CC(=O)NNc1ccc(Cl)cc1	727859501	XPPHYWUMVVUNKQ-UHFFFAOYSA-N	313.788	3.746	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2ccc(F)cc2C)o1	734298543	GSIADKZVODJUQG-NSHDSACASA-N	302.349	3.890	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCC[C@@H](C2CC2)C1	737423476	UDKMSYUPLLUGSP-CQSZACIVSA-N	309.413	3.783	50	20	DHGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1cccc(F)c1	743412828	UBGHQUDXFOZBPH-JTQLQIEISA-N	315.373	3.682	50	20	DHGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)NNc2ccc(Cl)nc2)C1	745801467	DXFBZGNGEYWPID-NEPJUHHUSA-N	310.829	3.576	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1ccsc1	749099569	QBUZQFXDCILDQV-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)c3cc4ccccc4o3)c[nH]c2c1	749817198	CKICMXIACAGXFN-UHFFFAOYSA-N	317.348	3.986	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1nc(-c2ccccc2)no1	749987693	MSOWGUDZWDUTKT-UHFFFAOYSA-N	314.389	3.540	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](C)C2)c1C	750776621	NMGBYIMNVXSDPV-JVVDOCDTSA-N	313.445	3.680	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccnc1C1CC1	752636687	OLEGUMIDBRUINT-UHFFFAOYSA-N	305.740	3.508	50	20	DHGD	
CCCC(CCC)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	752995609	YLQOFNPUPJNORE-UHFFFAOYSA-N	320.477	3.567	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC(C)(C)C1	753029497	LWABFEZAPCWTTD-LIOBOASVSA-N	300.377	3.627	50	20	DHGD	
CCOc1cc(/C=C(\C#N)c2ccncn2)cc(Cl)c1OC	758916211	PTOYJSIHDGLUPE-WUXMJOGZSA-N	315.760	3.601	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(F)c3cccnc23)cc1	759185744	UVVLZOOVTAEYAB-UHFFFAOYSA-N	321.355	3.700	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(F)c2cccnc12	759202442	PXYBABLIPCCOKQ-UHFFFAOYSA-N	322.343	3.838	50	20	DHGD	
Cc1cc(Cl)ncc1NC(=O)[C@H](Br)C(C)(C)C	768276011	OCKZYZJWUOIKSE-JTQLQIEISA-N	319.630	3.792	50	20	DHGD	
CC(C)c1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1	769931477	IXOOFWFPTPUWBK-UHFFFAOYSA-N	314.345	3.867	50	20	DHGD	
COc1ccc([C@@H](NC[C@H](C)CBr)C2CC2)cc1	770669153	SOHWVLPAGYLLBD-ABAIWWIYSA-N	312.251	3.767	50	20	DHGD	
CSCc1ccc(C(=O)NNc2c(C)cccc2F)cc1	771706470	BRABGJHUDLKBIV-UHFFFAOYSA-N	304.390	3.754	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1cccc2ncccc12	771884884	RPHRQMXYYFHNAK-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(F)c(F)cc1F	781084024	MFZVHOUOQFWXMV-SNVBAGLBSA-N	324.140	3.852	50	20	DHGD	
N#CC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCCCC1	791718599	SGAQSEOFKCMGSV-UHFFFAOYSA-N	312.200	3.911	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2c(C)cccc2F)c1C	792480971	HDQVWJOQELDSCN-LLVKDONJSA-N	319.384	3.759	50	20	DHGD	
CCCCOc1cccc(NC(=O)NNc2ncccc2F)c1	806226331	QZFSOOHRDKSJKU-UHFFFAOYSA-N	318.352	3.548	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccoc2)c(OC(F)F)c1	806556264	ALFFNNLWGXPZMF-WUXMJOGZSA-N	319.263	3.679	50	20	DHGD	
Cc1nc(CC(=O)NNc2c(C)cccc2C(C)C)cs1	812769470	IJLGQTSHOFSKMI-UHFFFAOYSA-N	303.431	3.569	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCC[C@@H]2CCCF)cc1	814999964	QSRNXFVADDUZRZ-GFCCVEGCSA-N	307.369	3.723	50	20	DHGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1cccc(Br)c1	824209672	VBBREYXZYFPVBX-GXFFZTMASA-N	311.223	3.719	50	20	DHGD	
O=C(NNc1cccc(Br)c1)C1CCC2(CC1)CC2	830766777	PBOPBABDTSCPHG-UHFFFAOYSA-N	323.234	3.863	50	20	DHGD	
CC1(C)[C@H](NCCO[Si](C)(C)C(C)(C)C)[C@@H]2CCCO[C@H]21	831329295	UMZGLEUSADZXON-RRFJBIMHSA-N	313.558	3.801	50	20	DHGD	
CC(C)c1ccccc1C(=O)NNc1ccc(C(F)(F)F)cn1	832395521	MEQFVGOIMDGJQP-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CSCC1CCC(=NNC(=O)c2cccc(Cl)c2)CC1	834924432	PQPWLFQMYOMBBA-UHFFFAOYSA-N	310.850	3.979	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C(C)C)cc2)C1	837059783	YFAJYUQJGFMVKG-WMLDXEAASA-N	304.434	3.848	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H](O)C(C)C	839861852	LKNUKRBOGSKUJI-KCQAQPDRSA-N	319.536	3.612	50	20	DHGD	
CC(C)Cn1nccc1C(=O)NNc1ccc(C(C)(C)C)cc1	843851471	MRWYQOJJUGMIGD-UHFFFAOYSA-N	314.433	3.594	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCN2CCCC2)C1	844335677	IKYNDRFQKZPBOH-INIZCTEOSA-N	312.574	3.568	50	20	DHGD	
COc1ccnc(CN(C)CCO[Si](C)(C)C(C)(C)C)c1	844343504	JBSQGLQCLSDKBI-UHFFFAOYSA-N	310.514	3.544	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2ccno2)CC1	844345122	NFOXCBZFCDAFME-UHFFFAOYSA-N	310.514	3.908	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc(C)n(C(C)C)c1C	846643024	JYESKJFBPOOHHF-UHFFFAOYSA-N	319.380	3.590	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1	912579936	KMBUOZHMNLSEIT-BYNSBNAKSA-N	309.526	3.655	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1csc(-c2ccc(Cl)cc2)n1	915838244	BDSNHNMSSCIRJU-YRNVUSSQSA-N	318.785	3.934	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H](C)c1c(C)noc1C	918650162	FDZQYOXOHQKHTJ-SECBINFHSA-N	322.796	3.641	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2cc(F)ccc2F)cc1C	930717352	POVSLGXUZLYIGC-SECBINFHSA-N	323.347	3.589	50	20	DHGD	
O=C1CCCC[C@H]1[C@H]1CCCN1C(=O)c1cccc(CCl)c1	1120620650	CCSAQECHTKQPQL-JKSUJKDBSA-N	319.832	3.789	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H]1CCC[C@@H](F)C1	1261454356	GLIJETLCZKINBP-NXEZZACHSA-N	319.302	3.612	50	20	DHGD	
CN(NC(=O)OCc1ccccc1)[C@@H]1CCc2c(F)cccc21	1261803096	YTKUHEJXKSYDQF-QGZVFWFLSA-N	314.360	3.586	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3ccccc3C(=O)O)oc2cc1C	1607711472	SUJBESVMBCJVQS-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C\C(=O)O)o1)c1nccc2ccccc12	1777566083	KPDUKJQYHBOPBV-OOKLLDCXSA-N	316.316	3.990	50	20	DHGD	
O=C(NN=C1CCCCCC1)c1cccc(Br)c1	5671013	ZBYLWIACTSCSGG-UHFFFAOYSA-N	309.207	3.889	50	20	DHGD	
Cc1cc(C)c2c(N)c(C(=O)NN=C3CCCCC3)sc2n1	7916175	SPKFFBBUHUZWCE-UHFFFAOYSA-N	316.430	3.545	50	20	DHGD	
CCc1ccc(CC(=O)NNc2ncc(Cl)cc2Cl)cc1	133076288	UOHKXAMWJCMRGN-UHFFFAOYSA-N	324.211	3.637	50	20	DHGD	
CCO[C@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	175408382	VOIFDXOYEFWSBO-HNNXBMFYSA-N	322.767	3.700	50	20	DHGD	
O=C(CCc1cscn1)NNc1ccc(Cl)cc1Cl	178883400	JRVDLJIQMMGCSN-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)NC1CCCC1	180434669	NLGADCWJMYCQGB-FMIVXFBMSA-N	322.380	3.967	50	20	DHGD	
COCCC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCC1	181148593	BGKAKLFTDGKCNJ-UHFFFAOYSA-N	304.434	3.634	50	20	DHGD	
C[C@@H](c1nc2ccccc2n1C(F)F)N1CC=C(C#N)CC1	299582653	HUQKMGHDWSEVSD-NSHDSACASA-N	302.328	3.648	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CC[C@H](c2ccc(Cl)cc2)C1	491012445	RIHMEMFQCNKKIP-FRSMIGLYSA-N	318.804	3.536	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2scnc2C2CC2)c1	491080333	CWRUXTJHXVCOHR-MDWZMJQESA-N	309.394	3.875	50	20	DHGD	
C[C@@H](CC(=O)NNc1nc(-c2ccccc2)no1)CC(C)(C)C	728079862	JKXODRKUEZPFSC-LBPRGKRZSA-N	316.405	3.642	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(Br)cc1Cl	743430746	LKEZYPQTGGPROH-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
CC[C@H](C)[C@@](C)(O)CNC(=O)CCCC[C@H]1CCSS1	743480697	GBCULMBVHQWOHX-YDHLFZDLSA-N	319.536	3.614	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2cccc3cccnc23)o1	747356102	MSTQHFFAJGMATR-MLGOLLRUSA-N	319.364	3.715	50	20	DHGD	
Cc1c(NNC(=O)CCC2CCCCC2)cccc1[N+](=O)[O-]	748682553	GXHKLPXJPYDGJO-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
Cn1ccc(C=NNC(=O)Nc2ccc(-c3ccccc3)cc2)c1	749859853	UJXYHDJFGMQMCQ-UHFFFAOYSA-N	318.380	3.848	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)o1	751514645	UOPWKWJFEUPHKX-FMIVXFBMSA-N	321.336	3.705	50	20	DHGD	
CC1(CC(=O)NNc2cc(F)c(F)cc2F)CCCCC1	753656641	OSJFAYOZSJMMHC-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
O=C(NN=C[C@H]1CCc2ccccc21)c1ccc(Cl)cc1F	755754279	BTTPXKKWDANJRG-GFCCVEGCSA-N	316.763	3.925	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756018269	TVLOZFPIIYRCLO-BFHYXJOUSA-N	317.389	3.644	50	20	DHGD	
O=C(CCc1ccccc1)NN=C/C=C/c1ccc(F)cc1F	758108225	DVCVVQRFMXQINW-KGSLMKHMSA-N	314.335	3.713	50	20	DHGD	
C[C@H](C[C@H]1CCOC1)NC(=O)CCCC[C@@H]1CCSS1	759813143	FKVKQQNXQNDUHX-MGPQQGTHSA-N	317.520	3.632	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)[C@H]2CCCc3cccc1c32	763290429	QZFLNMNPMAOUQT-SLVCOGOPSA-N	312.800	3.822	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cc(F)ccc2F)ccc1[N+](=O)[O-]	766780280	XOUJKIKXZUZQDW-SDQBBNPISA-N	316.263	3.946	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CCCCS1	783062038	MVWLQOBMJNCXQU-JTQLQIEISA-N	323.220	3.861	50	20	DHGD	
O=C(CCCc1ccsc1)NNc1cc(F)c(F)cc1F	783590018	PRNVXMVRHNTEDF-UHFFFAOYSA-N	314.332	3.631	50	20	DHGD	
CN(C)C(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)cc1	789000759	PKCOESIJDZLYMQ-UHFFFAOYSA-N	301.777	3.612	50	20	DHGD	
O=C(NCc1ccsc1)NNc1cc(Cl)cc(Cl)c1	790151512	KRVGXYUCXDFXPP-UHFFFAOYSA-N	316.213	3.881	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)Cc1ccc(C)cc1C	790713342	HVIPOYVWYIQHFR-ZDUSSCGKSA-N	312.504	3.545	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H](C2CCC2)C1	795291566	ZTNDDAVMZKCKRM-INIZCTEOSA-N	313.558	3.757	50	20	DHGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	797144982	XQGPZZJIHNJKNQ-JYRVWZFOSA-N	321.288	3.602	50	20	DHGD	
COc1cc(C(=O)NN=C[C@H](C)C(C)(C)C)ccc1OC(C)C	800808400	RWRQYFYOYHRSCE-ZDUSSCGKSA-N	320.433	3.880	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1cccc2c1CCCC2	801175970	MKOCKANRQRRNFM-UHFFFAOYSA-N	320.845	3.966	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2c(s1)CCCCC2	808247641	JCDLRCGIIITELI-UHFFFAOYSA-N	306.258	3.893	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817006475	LFKIKWQEOFEENO-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1cccnc1Cl	819572876	INACFDCCIZNTQN-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](CC)C(F)F)c1C	833204711	TXLLNSNYBCIZLH-HNRFISLBSA-N	323.387	3.582	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)N[C@H](C)c1c(C)noc1C	838472569	PSXQSVNYHMHBOK-SECBINFHSA-N	322.796	3.641	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(F)c([N+](=O)[O-])c1	842247483	MOQZEYYGZLNBHP-UHFFFAOYSA-N	311.357	3.784	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@@H]1C[C@H]2C=C[C@H]1CC2	842524708	GFEPNYULLKWEBW-OBJOEFQTSA-N	318.804	3.754	50	20	DHGD	
O=S(=O)(CCCCCl)Oc1cccc2sccc12	848462356	DNELNLQVGGNINW-UHFFFAOYSA-N	304.820	3.629	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)c(C)c1	849178007	BESMEEDGNJLWMC-FEEIMYBTSA-N	313.397	3.687	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H]([C@@H]2CCCCO2)C1	852594164	AGIQFUHAESTTDE-KLEKMYHTSA-N	314.404	3.971	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCC[C@H]1c1ccccc1	856092061	NCATZGOUSYTWKH-LSDHHAIUSA-N	315.804	3.762	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1F	915843709	TUOHMGBJWXDXAP-WYRUSDGCSA-N	304.340	3.567	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCCCCC3)n[nH]2)cc1	915967090	GTRDPROBVVDXEF-UHFFFAOYSA-N	310.401	3.825	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2ccc3ccccc3n2)c1	916243175	YLJCGEKAZLYKMQ-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1cccc(C)c1	916301817	GYMSTFHCWCZFTI-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1cccs1	916334745	FRNNKTXNTMWMMW-NSHDSACASA-N	320.389	3.585	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(\C#N)c1nc(-c2ccncc2)cs1	920068980	XKMIEZYSWOELLY-NTUHNPAUSA-N	307.382	3.609	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(-c2cccs2)cc1F	920988670	RKXOHFKWLDFDJU-UHFFFAOYSA-N	305.378	3.597	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cc(C(C)(C)C)on1	928338900	CGBMKPYLKLPOLM-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1ccsc1C(F)F	935978244	SUKPHAKVFQVRKV-UHFFFAOYSA-N	324.356	3.500	50	20	DHGD	
CCOc1ccc(C=NNC(=O)c2ccccc2Cl)cc1F	1116815619	UMJNEUDALBVAGE-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
O=C(NC1(c2nccs2)CCCC1)C1CCC(Cl)CC1	1519472446	ANUVNBHBORBRCT-UHFFFAOYSA-N	312.866	3.826	50	20	DHGD	
CC(C)(C)C1CC(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	1589726749	ODWVJHYLBCEUJT-UHFFFAOYSA-N	324.808	3.554	50	20	DHGD	
CCc1nn(C)cc1NC(=O)CCCC[C@@H]1CCSS1	91155222	PFSFMPXJNOZDQH-LLVKDONJSA-N	313.492	3.635	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)C1(c2ccccc2)CC1	120270785	AOTFAMBQVFDFKO-UHFFFAOYSA-N	306.409	3.740	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3c(Cl)cnn3C)c[nH]c2c1	122032986	TYGWOQXPQWKMAU-IZZDOVSWSA-N	324.771	3.653	50	20	DHGD	
COc1ccc(S[C@H](C)C(=O)NNc2ccc(C)cc2)cc1	133017797	OVOMZGCMVQEIHK-CYBMUJFWSA-N	316.426	3.628	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(C#N)c1)c1ccc(OC)cc1	152732358	RSKZMUSAAILMBL-OAHLLOKOSA-N	323.396	3.594	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1CCCC[C@H]1C(F)(F)F	152960313	PZMTZIUYOWVWDW-VHSXEESVSA-N	304.287	3.638	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCCCC[C@H]1c1ccco1	154281582	OQWUAGIHAARYKT-ZDUSSCGKSA-N	319.854	3.546	50	20	DHGD	
O=C(NNc1ccncc1Cl)[C@H]1C[C@@H]1c1cccc(Cl)c1	154762671	VJIDFXQRJZMJMF-NEPJUHHUSA-N	322.195	3.635	50	20	DHGD	
O=C(NCc1ccc(Cl)s1)NNc1c(F)cccc1F	172471781	DPGHWHYFVITIHQ-UHFFFAOYSA-N	317.748	3.506	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc2cc[nH]c12	181318991	NJGRGOYUYRFGLR-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
C[C@@H](C1CC1)n1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cn1	189324411	VWHIWLDXYOOCMM-IYVNWDGISA-N	324.359	3.539	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C\c1ccc(O)cc1	192565487	IHBQNKPMULVOPJ-UVTDQMKNSA-N	302.333	3.972	50	20	DHGD	
CCCCc1ccc(NS(=O)(=O)CCCCCl)cc1	228323283	MXQUSTDMDODGAV-UHFFFAOYSA-N	303.855	3.790	50	20	DHGD	
Cc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)cc1	245285903	ZNBHKGHSVKJTRD-UHFFFAOYSA-N	318.376	3.677	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@@]2(CCc3ccccc32)C1	255066968	BTIWEAOHYRRDDJ-IQKNENRKSA-N	316.404	3.725	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc([C@H]2CCOC2)c1	281684988	FQEKKMJRHHMINM-SFHVURJKSA-N	324.424	3.818	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1	492296746	PNTKIZLLKXKPOF-DAXSKMNVSA-N	309.344	3.772	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1ccc(Cl)s1	729637960	OKFHDTNBMYOOFR-UHFFFAOYSA-N	317.801	3.507	50	20	DHGD	
CC(=O)c1csc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)c1	730170117	ZKISPUYYEOTKFT-UHFFFAOYSA-N	319.338	3.695	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cnnc3ccccc23)cc1	733808962	PNOIKQZRIXGUAS-UHFFFAOYSA-N	320.396	3.729	50	20	DHGD	
O=C(NCCCCC1CCCC1)NNc1cccc([N+](=O)[O-])c1	745913720	AREBYYMJEGMGBZ-UHFFFAOYSA-N	320.393	3.581	50	20	DHGD	
O=C(CCCOc1cccc(F)c1)NNc1ccccc1Cl	748304303	VZNFRNNRVJAUSP-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C[C@@H]1C[C@H]1c1ccccc1	755564269	SBWVEGDLDPWREX-YJBOKZPZSA-N	317.392	3.616	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1Br)c1ccncn1	758912605	OCUAKFYAOLHYKF-BJMVGYQFSA-N	320.577	3.957	50	20	DHGD	
Cc1cc(NNC(=O)/C=C2\CC[C@H](C)C2)ccc1Br	762807237	WTDKAHUPFGBCLF-LZAIMSLLSA-N	323.234	3.947	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(F)c(F)cc1F)c1ccccc1	767782230	NCHNYQMAPDWTHD-CYBMUJFWSA-N	320.314	3.748	50	20	DHGD	
C[C@@H](CBr)COC(=O)/C=C\c1ccc2[nH]ccc2c1	770408299	VAGJGBAOIVUSSO-MZBZXASESA-N	322.202	3.755	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)cnc1Cl	772172493	QZGXIDOPEALWRL-AWNIVKPZSA-N	300.720	3.972	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)C1CCSCC1	777436112	BCGFTLYBLNDSNA-UHFFFAOYSA-N	304.459	3.600	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2ccc3ccccc3n2)cc1	778966405	BWBBDADIAGSRGL-HNNXBMFYSA-N	319.408	3.865	50	20	DHGD	
CCSCCC=NNC(=O)c1c(Cl)cccc1Cl	781121531	CHBUKQFAGCBARQ-UHFFFAOYSA-N	305.230	3.852	50	20	DHGD	
C[C@@H](OC(=O)[C@@H](Br)C(C)(C)C)c1ccc(C#N)cc1	784733848	SQPYWBMFVLWWAQ-ZWNOBZJWSA-N	324.218	3.972	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(F)cc1OC)c1ccccc1	788184799	QMQJDNDMWIVUQF-OAHLLOKOSA-N	316.376	3.861	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(C)(C)C2)c1C	790232308	TZKVQMNKDCMUEH-LICLKQGHSA-N	313.445	3.680	50	20	DHGD	
Cc1csc(NC(=O)NNc2cc(Cl)cc(Cl)c2)n1	790603917	MNKWIGFYIHCZGE-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1cc(Cl)cc(Cl)c1	791727001	QQZHKVKTRNCIPG-QMMMGPOBSA-N	307.246	3.968	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)F)cc1)c1ccc(O)c(Cl)c1	794512656	ZUQMUOMWTYEGKA-UHFFFAOYSA-N	324.714	3.747	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)C1CCOCC1	794957229	DIJRPRWBEDJUHF-YFHOEESVSA-N	315.316	3.670	50	20	DHGD	
N#C/C(=C/c1cnc(-c2ccccc2)s1)C(=O)C1CCOCC1	794958497	MUNODRBLYJGQJQ-GDNBJRDFSA-N	324.405	3.713	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1cccc(C(F)(F)F)n1	795116006	DZYDRSWKCABHOI-ZDUSSCGKSA-N	303.328	3.760	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cccc(CO)c1	798278748	JDWWVHXDDGCNLA-UHFFFAOYSA-N	318.376	3.662	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)c1cccc(C2CCC2)c1	798311707	ZJZHAQNRJALFMA-UHFFFAOYSA-N	323.396	3.729	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C1(C)CCCCCC1	798313489	OCRSVDWRJHKJOO-UHFFFAOYSA-N	303.406	3.508	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)ccc1C#N	799497188	KAFXXDPXXKJKEB-NVMNQCDNSA-N	316.360	3.974	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)ccc1OC	799755477	LLIAXBTVXLFVOO-UHFFFAOYSA-N	318.804	3.976	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCc2cc(Cl)ccc21	804346633	QIKZFMMIURGHPT-NTEUORMPSA-N	324.767	3.542	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1c(F)cccc1Cl	807966969	KLJIMRZPPNBQCP-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1c(C)n[nH]c1C	812763434	SCHLRBUPDUWJPY-UHFFFAOYSA-N	314.433	3.534	50	20	DHGD	
CCc1cc(C(=O)NNc2nc3ccccc3cc2C)ccc1O	813509721	CEKRJXMAUZDCNJ-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
Cc1[nH]c2ccc(C(=O)NNc3cccc(Cl)n3)cc2c1C	817008753	GIDYPNLKEFLXMC-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1cc(OC(=O)C[C@@]2(C)CC2(Cl)Cl)ccc1[N+](=O)[O-]	835071500	YSCKZDKOHRJJNR-LBPRGKRZSA-N	318.156	3.783	50	20	DHGD	
Cc1noc(C)c1[C@@H](C)NC(=O)NNc1ccc(C(C)C)cc1	838472837	RNGRVWMBAURNEA-LLVKDONJSA-N	316.405	3.802	50	20	DHGD	
Cc1nc2c(s1)[C@H](NC[C@]1(C)C[C@H]1Br)CCC2	857082360	MVXUDKPSZCMZBG-XWIASGKRSA-N	315.280	3.592	50	20	DHGD	
C=CC[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)c1ccccc1	857392035	XSAMFKYYOAFQBZ-LZWOXQAQSA-N	322.246	3.636	50	20	DHGD	
CC(C)(C)SCCCC(=O)NC[C@]1(C)C[C@@H]1Br	857392366	BCBNDKXIUQRLQA-GWCFXTLKSA-N	322.312	3.588	50	20	DHGD	
C[C@]1(CNC(=O)c2sccc2C2CC2)C[C@H]1Br	857399071	BFAZFFFFARXWFQ-ZWNOBZJWSA-N	314.248	3.529	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)c1csc2c1CCCC2	885110082	OGYNVNMQDCSLQH-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
N#C/C(=C\c1c[nH]c2ccc(C(=O)O)cc12)C(=O)C1CCCC1	899365804	DVKCNLGHPJJQAU-NTUHNPAUSA-N	308.337	3.532	50	20	DHGD	
CC(=O)NN=Cc1ccc(-c2cccc(Br)c2)s1	914601081	HYOTXFIFFVFTRY-UHFFFAOYSA-N	323.215	3.648	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2ccccc2C(F)(F)F)cc1	918160753	QYVLFEQTACQIEY-UHFFFAOYSA-N	323.318	3.840	50	20	DHGD	
C[C@@]1(CNCc2ccccc2N2CCCC2)C[C@H]1Br	1118752939	VCZHLZPLZQTHJQ-CVEARBPZSA-N	323.278	3.550	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2nc(C)sc2C)cc1	1320067606	DKUQIKLKOTWWLH-OVCLIPMQSA-N	312.394	3.719	50	20	DHGD	
CC(F)(F)C1(C(=O)NNc2c(Cl)cccc2Cl)CC1	1330690901	NVUWHEDPCVTWJL-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
C=CCCC(=O)[C@@H]1CCCN1C(=O)c1cccc(CCl)c1	1339027563	FACZLGXKHSDGEK-HNNXBMFYSA-N	305.805	3.565	50	20	DHGD	
O=C(NCc1ncc(-c2ccccc2)o1)C1CCC(Cl)CC1	1346341785	IHOBYEJNQNZURQ-UHFFFAOYSA-N	318.804	3.755	50	20	DHGD	
CC(C)CCO[C@@H]1CCN(C(=O)c2cccc(CCl)c2)C1	1347202424	HBBQTIYECSBBME-MRXNPFEDSA-N	309.837	3.703	50	20	DHGD	
CC(C)n1cc2c(n1)[C@H](NC(=O)C1CCC(Cl)CC1)CCC2	1348213197	QQSADDRFMLLGNH-PESDSKBTSA-N	323.868	3.755	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1OC	8201721	PEJCLWLQDFSYMA-UKTHLTGXSA-N	311.312	3.633	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccn2Cc2ccccc2)c1	74292033	DXVPZTHKIMMKGD-UHFFFAOYSA-N	305.381	3.602	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(Oc3ccccc3)cc2)c1	88423910	OZFONLWIDRXTRS-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CCSc1ccc([C@H](C)NC(=O)NNc2ccccn2)cc1	103518023	CAHLNQIGIMGLNI-LBPRGKRZSA-N	316.430	3.581	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccc(F)cn1	123324586	AZGHTFGYMNYAMT-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(C(F)(F)F)cn1)C(C)C	132024048	RUZRFIDOWMVVOK-LLVKDONJSA-N	303.328	3.616	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCOCC1	136103392	JKSIRNYELXYLHH-GXTWGEPZSA-N	317.520	3.632	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@@H](C)c2ccccc2)c1	138193020	LWIGGSPKMFPLOZ-FMNVXAMXSA-N	307.349	3.907	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccccc1OC1CCCC1	141535808	ONBZVYLVSLCXAR-WJDWOHSUSA-N	312.413	3.687	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccncc2Cl)cc1	154671064	QKDDUVYWKHDYNY-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
O=C(NNc1ccncc1Cl)[C@H]1C[C@H]1c1cccc(Cl)c1	154762551	VJIDFXQRJZMJMF-RYUDHWBXSA-N	322.195	3.635	50	20	DHGD	
N#Cc1ccc(NNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1	155397333	CCYGLWHGCZVBDE-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)c(C)n1C1CC1	156976932	UASSDQUAAPUSCZ-UHFFFAOYSA-N	323.318	3.614	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccccc1Cc1ccccc1	180676296	AUWBVOOBUWOTNO-UHFFFAOYSA-N	318.380	3.821	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccncc3)CCCCC2)c1	183010510	SWJNYKQLTBQVLT-UHFFFAOYSA-N	309.413	3.735	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	206268935	GYSHCXQBQOLEHR-SSZFMOIBSA-N	300.402	3.689	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)cc1)c1cccc(Cl)c1	254380850	NTBDLIDYLDQYKS-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
N#CC1=CCN(C(=O)/C=C/c2cccc(OC3CCCC3)c2)CC1	273836519	LVBDYGQNUGQPAW-CMDGGOBGSA-N	322.408	3.703	50	20	DHGD	
CCOc1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1C	491013087	SXADSTRVNNTLNE-XNTDXEJSSA-N	322.364	3.645	50	20	DHGD	
COc1cc(C)ccc1C(C)=NNC(=O)CCCc1ccccc1	727689540	SRFDPNVUMJFBQC-UHFFFAOYSA-N	324.424	3.867	50	20	DHGD	
N#CCOc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	730146931	IBNFFRDUMXESJA-XNTDXEJSSA-N	305.293	3.561	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(OC(F)F)c(Cl)c1	731486969	HQBRLPHKSAQRAU-UHFFFAOYSA-N	318.751	3.828	50	20	DHGD	
C[C@@H](CC(=O)NNc1nccc2sccc12)c1ccccc1	734249073	ISJWVNHDDCMGPP-LBPRGKRZSA-N	311.410	3.933	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2Cc3cc(C)c(C)cc3O2)c(C)c1	743762364	RUHFJAQWEYPQFQ-GOSISDBHSA-N	324.424	3.676	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1cccc2ccccc12	747050419	AZQDSSAMXWEJSL-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1C[C@@H]1c1ccc(F)cc1	748589275	VXUSGOFYPULEAQ-QZTJIDSGSA-N	324.399	3.951	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1ccc(C#N)cc1	754273969	HCUURVAKKOWALW-GDBMZVCRSA-N	319.408	3.991	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(F)cc(F)c2)cc1	755576435	MGVBFKGRUHFNPG-PXNMLYILSA-N	319.332	3.612	50	20	DHGD	
CC(C)O[C@@H]1CC(=NNC(=O)c2cc3ccccc3o2)C1(C)C	764909843	YEPPYAAQWPYVKN-MRXNPFEDSA-N	314.385	3.742	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1cccnc1Cl	766746340	NCJXULMDRZLMLR-SECBINFHSA-N	320.614	3.588	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cncc(Br)c2)sc1C	767361081	OCGXPBHIMNGREY-JYOAFUTRSA-N	320.215	3.982	50	20	DHGD	
CCSc1cccc(C=NNC(=O)c2ccccc2F)c1	769762937	CGXYDGGXPIXWRZ-UHFFFAOYSA-N	302.374	3.702	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)OC[C@H](C)CBr	770417779	KHLZNBRBCMZLDI-JHJVBQTASA-N	321.255	3.546	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)CCCC(F)(F)F	774385043	KCUWTGKKFJPXKT-UHFFFAOYSA-N	302.296	3.534	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)nn1[C@@H](C)C1CC1	777291074	PAZRXTLUYJBMLG-NSHDSACASA-N	318.808	3.573	50	20	DHGD	
CCSCCC=NNC(=O)COc1cc(C)ccc1C(C)C	781117055	LIIJOBBPTYISMA-UHFFFAOYSA-N	322.474	3.742	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@]1(C)CCCO1	782168432	DXEIOBVLNLXUAR-DIFFPNOSSA-N	320.458	3.548	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)cc1)C(F)F	789036262	BIFSXZNOCFQUBB-UHFFFAOYSA-N	308.715	3.722	50	20	DHGD	
COc1cc(NNC(=O)/C=C\c2cccc(F)c2)ccc1Cl	790166382	XXTOJNWLVGGRBP-YVMONPNESA-N	320.751	3.644	50	20	DHGD	
CCCN(N=C1CCN(C(C)(C)C)CC1)C(=O)OC(C)(C)C	794997541	XGEZHIQCQPWNSP-UHFFFAOYSA-N	311.470	3.884	50	20	DHGD	
O=C(NNC(=O)C1=CCCC1)Nc1ccc(-c2ccccc2)cc1	802035252	TYJMBSBGZWBRDO-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ncccc1Cl	810406197	XAOMJWBSQJBAKK-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
C[C@H]1SCCC1=NNC(=O)c1c(Cl)cccc1Cl	814833508	KYGPNNUOVNJABK-SSDOTTSWSA-N	303.214	3.605	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2c(F)cccc2Cl)cc1	814999930	QJWIKOOYRMROOL-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3occc3s2)cc1	817885567	DGAGUNFVTGQWHN-UHFFFAOYSA-N	302.355	3.650	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)c(Cl)c1	821777131	UXNBXJWFARTHFL-IUODEOHRSA-N	310.825	3.543	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccccc1C(F)F	824434819	QQSDHTJHGPBXLJ-UHFFFAOYSA-N	321.331	3.686	50	20	DHGD	
CC1(C(=O)NNc2cc(Cl)ccc2Cl)CCC(=O)CC1	827516211	OCBULXPJJBPZHA-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
Cc1ccc(NNC(=O)NCC2CCC(C#N)CC2)c(Cl)c1	838578534	NDWWCCGCHBMGIM-UHFFFAOYSA-N	320.824	3.605	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1ccc2ccccc2n1	842522741	PRBDYSFBFYYSME-UHFFFAOYSA-N	303.312	3.530	50	20	DHGD	
O=C(NN=C1CC[C@@H](Cc2ccccc2)C1)OCC(F)(F)F	853428709	RRQFRYFJZZVTKO-LBPRGKRZSA-N	314.307	3.674	50	20	DHGD	
CCCc1ccc(/C=C(/C#N)C(=O)NCCCOC(C)C)s1	856720844	UIOUNFOLPMKBJQ-KAMYIIQDSA-N	320.458	3.539	50	20	DHGD	
C[C@]1(CNC/C=C\c2ccc(F)c(F)c2)C[C@H]1Br	856810497	YKGWDVXHCBEGPX-DTSKHDKYSA-N	316.189	3.741	50	20	DHGD	
CCC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	857556405	SCRNUWIRTJYXFH-YFEUJDIGSA-N	315.461	3.973	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@@H]2C[C@@H](C)c3c(C)cccc32)n1	862520602	HAZCFMAHKAEXNQ-HIFRSBDPSA-N	309.413	3.823	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(C(C)C)c(Cl)c2)n1	862521004	OLTFEOMZJRWVRH-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CCO[C@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	905447250	VVJJMWUHWJRUNP-INIZCTEOSA-N	310.397	3.905	50	20	DHGD	
CC(C)(C)OC(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21	914554812	URCKUTXBJCKMNC-UHFFFAOYSA-N	317.364	3.872	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@H](c1cccs1)C1CC1	916232888	NPLYMVORGVLPRJ-AWEZNQCLSA-N	305.378	3.665	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cccc(Cl)c2)cc1	916345566	GLZQAFPFOQYURZ-UHFFFAOYSA-N	318.829	3.891	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)c1ccco1	916353648	STAZZMXLVBOKPB-JTQLQIEISA-N	302.399	3.620	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccc(OC(C)C)cc1	916362114	PNUBNXFJTHWJJT-UHFFFAOYSA-N	310.397	3.936	50	20	DHGD	
O=C(NCc1csc2ccccc12)NNc1ccc(F)cc1	916517955	BIIHSJUPKUELDC-UHFFFAOYSA-N	315.373	3.867	50	20	DHGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)C(C)C)cc1	920364601	ALXUMPBCZSOFSR-DQFPBTHNSA-N	302.418	3.722	50	20	DHGD	
Cc1ccc(NNC(=O)c2coc3c2C(=O)CCC3)cc1Cl	1261254419	LQFDHOUIDHAORX-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2ccccc2SC)cc1	1321217275	DIXYSQVSRKMZSJ-UHFFFAOYSA-N	314.410	3.571	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)C2CCC(Cl)CC2)cc1F	1519215470	MHKSKRIQPFTLRZ-XSRFYTQQSA-N	313.800	3.809	50	20	DHGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)C(=O)C(C)C	44027221	HLCOOURJLKBLDM-UKTHLTGXSA-N	313.788	3.966	50	20	DHGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNc1cccc(Cl)c1	44999989	AMDGVXURELWBQX-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	59335195	ZYDCJKXHYBBHLL-LGMDPLHJSA-N	316.360	3.553	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(Oc2cccnc2)cc1	63268353	WSWIOCMSXFCGSW-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccc(F)cc3F)csc2C1	66326223	BAEVIADZYHDAFD-SECBINFHSA-N	322.380	3.908	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	72592234	QHQKSBRJORACSH-UHFFFAOYSA-N	320.176	3.555	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125006163	BPOJDWTVVMQFLZ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
O=C(Cc1cccs1)NNc1cc(C(F)(F)F)ccc1F	128882352	QDTDTJIPPOHYRF-UHFFFAOYSA-N	318.295	3.592	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3cccc(Cl)c3)cc2n1	171421221	PPOATGBUDHOWCA-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
Cc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)NC2CCCC2)c1	176903308	XLXQTPYOSZPQPU-UKTHLTGXSA-N	320.339	3.562	50	20	DHGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccncc2)C1	180445436	ZCZROJVFMCVSDQ-DOTOQJQBSA-N	319.449	3.680	50	20	DHGD	
C[C@H](c1cccs1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188209760	PTTIGXXEYTULKP-XTCQQWIJSA-N	312.394	3.580	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)c2ccsc2)cn1	190257347	FFABTBRTXLPZLE-OVCLIPMQSA-N	311.410	3.778	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F	193340566	FDIMBNFRRMIHSL-UXBLZVDNSA-N	313.687	3.578	50	20	DHGD	
CCN(Cc1ccccc1C)C(=O)/C(C#N)=C\c1ccc(O)cc1	194153402	NTXJWHAMSZDBRR-PDGQHHTCSA-N	320.392	3.656	50	20	DHGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	588394152	IVABEQKNTNAZJB-NSIKDUERSA-N	309.296	3.653	50	20	DHGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1	588597447	KLGAKJZUJFYIDQ-VGOFMYFVSA-N	324.286	3.657	50	20	DHGD	
C[C@@H]1CCCC1=NNC(=O)COc1ccc(C(C)(C)C)cc1	729141067	UHKZDILNOCKGLP-CYBMUJFWSA-N	302.418	3.655	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	733078250	IUMTUIHKTNPBSG-OAHLLOKOSA-N	324.428	3.948	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)c1ccc(O)c(Cl)c1	734094893	XEYCRPBCSJAQOI-UHFFFAOYSA-N	314.838	3.683	50	20	DHGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3ccccc3F)cnc12	741468437	SXWACEAVHLCEPF-LCYFTJDESA-N	305.312	3.572	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)cc1	741851873	HFDBYHAEXCHZIA-WQRHYEAKSA-N	320.392	3.996	50	20	DHGD	
O=C(NN=Cc1ccccc1-c1ccccc1)NC1CCCC1	743531501	ZWTNLDJBMBKGMA-UHFFFAOYSA-N	307.397	3.929	50	20	DHGD	
CC(C)NC(=O)NN=Cc1ccc(-c2cccs2)cc1F	745006305	RYGXKXRIKUQLCX-UHFFFAOYSA-N	305.378	3.596	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1ccc2ccccc2c1	747052213	XFOHOWTYVGGTFH-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C1CCCCC1	752462018	FNJOLMUDZHBRMT-XDUBLRSXSA-N	300.377	3.818	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1Cl)c1ccccc1F	753693466	USWJWSPDLLYLLD-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
N#Cc1ccc(C(=O)NN=CCCCCOc2ccccc2)cc1	753961594	YTVFKDGVJJPUCK-UHFFFAOYSA-N	321.380	3.523	50	20	DHGD	
N#C/C(=C\c1nc(Cl)cs1)c1nc(-c2ccccc2)no1	759073974	AFUWUHCGTQELPO-UXBLZVDNSA-N	314.757	3.911	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cnc(Cl)c(C)c1	760209838	HSNBKPRAJNRZCI-NTEUORMPSA-N	305.809	3.647	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC(C)(C)CC)cc1	760556377	QLQXEANVVKFPPN-PTNGSMBKSA-N	300.402	3.545	50	20	DHGD	
N#CC1=CCN(C(=O)c2cccc(Oc3ccccc3)c2)CC1	767160289	ORNUVTKJSSUQPZ-UHFFFAOYSA-N	304.349	3.775	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C[C@H]1C	767388728	VYHPGFOYSBDDHW-WDEREUQCSA-N	316.430	3.680	50	20	DHGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)C2CCCCC2)c1C	767714534	QVWOQCPPJRLEGS-LDADJPATSA-N	314.429	3.808	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(C)CCC2CC2)cc1OC	768770001	WUYOLKNJSOOFND-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCc1ccc(Cl)cc1	770333901	YMCSMRKWZBXLOB-JTQLQIEISA-N	319.626	3.847	50	20	DHGD	
CCOc1ccc(CN(C)C[C@@H](C)CBr)cc1	770647165	WUBNDLWVOVWHDV-LBPRGKRZSA-N	300.240	3.548	50	20	DHGD	
O=C(CCCC(F)(F)F)NNc1cccc(C(F)(F)F)c1	770802137	DGRMLEQYVABAIR-UHFFFAOYSA-N	314.229	3.881	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2ccc(C#N)c(Cl)c2)c1	775404690	HBFKDHDEXRGRJL-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]2CCC[C@@H]21	781093232	GLVUGTHYFWBGDM-GRYCIOLGSA-N	302.256	3.587	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccn1Cc1ccccc1C#N	782198304	ZWYYFJQNYFYCMZ-BOPFTXTBSA-N	317.392	3.930	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)CC(C)C)c(-c2ccnn2C)c1	801647388	CBNLZDANQNQLHO-WJDWOHSUSA-N	307.397	3.918	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1cccc(Cl)c1Cl	806107349	GKEZZRKXBXDFAJ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=c1cc(/C=C\c2cccc(CCl)c2)[nH]c(-c2ccncc2)n1	806563666	WVRKVTQVVZTCRW-PLNGDYQASA-N	323.783	3.741	50	20	DHGD	
COc1cccc2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cn3)oc12	812244483	BZCFYRDPRZLWND-WQLSENKSSA-N	321.292	3.809	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CC1)c1ccc(COc2ccccc2)o1	814761770	BWYBKWILLSKOQW-INIZCTEOSA-N	324.380	3.764	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@@H](Br)C(C)(C)C)CC12CCC2	816800516	ZJMNHTJQZMGQBP-NEPJUHHUSA-N	316.283	3.833	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC(C)(C)OCC2CC2)cc1	840427829	KQVKLYHYBWOSOQ-UHFFFAOYSA-N	319.449	3.641	50	20	DHGD	
C[C@@H](COCC1CC1)NC(=O)CCCC[C@@H]1CCSS1	846533057	XFIAEJZAILUXMR-GXTWGEPZSA-N	317.520	3.632	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)cn1)[C@H](C)c1ccccc1	852165950	ARNFLCURSHXHHP-RYUDHWBXSA-N	318.808	3.553	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1ccc(C2CC2)cc1	854676765	BFPWAKMDBRZAAE-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2SCCc3sccc32)cc1F	856229782	WREPCWORSQWRDJ-AWEZNQCLSA-N	322.430	3.669	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@@H]1C	861791146	BSLIRCFXLXMVCP-YXWQFLTLSA-N	304.434	3.621	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1cc(Cl)ccc1F	871271679	VJWYYXZVMXNBNA-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(F)cc2Cl)C1	885137333	UOLLGXXIPXAORE-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CC[C@@H](C)c1nc([C@H](C)NC(=O)c2cccc(CCl)c2)n[nH]1	1120637033	XYTJJBQMPZCPLV-MNOVXSKESA-N	320.824	3.548	50	20	DHGD	
Cc1ccc(O)c2c1[C@H](C)/C(=C\c1cnn(CCCl)c1)C2=O	1318245759	JXXJTJBCURZYEJ-ZTFCMROMSA-N	316.788	3.519	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1ccc(Cl)cc1Cl	1322689596	PYDYNOXJHXKEAO-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
CCC[C@@H](C=NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1	1324751313	LTKJTBSTNRXVQM-HNNXBMFYSA-N	324.428	3.588	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C[C@H]1C	1347922221	RHTVRQKLQVRHPH-MGPQQGTHSA-N	317.520	3.584	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1cccc(C(=O)O)c1)c1ccccc1	1602855888	HOXPAWVINMBWFX-KRWDZBQOSA-N	324.380	3.578	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccccc1	5931753	TVMSPDJUGJVUIH-QLENYVDCSA-N	319.408	3.537	50	20	DHGD	
N#C[C@H](C(=O)CCCC[C@H]1CCSS1)c1ccccn1	41482197	JVOZYJNCZSYLSC-STQMWFEESA-N	306.456	3.972	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2ccccc2C(F)(F)F)c1	79440061	KMESDOJCDQMKHI-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	102545942	DJOMTVURIOEXMN-NSHDSACASA-N	321.327	3.675	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	111998752	OIWKENMLNPNXEV-XGICHPGQSA-N	324.771	3.828	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(Cl)c1	119970165	XAWXLAGOMLGCCG-UHFFFAOYSA-N	300.789	3.976	50	20	DHGD	
C[C@@H](CBr)CN(CCC(F)(F)F)CC1CC1	133883889	WSWODTLNPCROBO-VIFPVBQESA-N	302.178	3.682	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccccc3F)cc2C1	152801960	VSLZRMGNHBUFNI-SNVBAGLBSA-N	304.390	3.769	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2cc(F)c(F)c(F)c2)cc1	155825286	WFBAOCOAFZTJEI-UHFFFAOYSA-N	322.330	3.833	50	20	DHGD	
Cc1ccc(NNC(=O)CCCOc2ccccc2Cl)cc1	158872593	NSHHJSPWKWMAFT-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
COc1ccc(C(=O)NCC(=O)N/N=C/c2ccc(OC(=O)c3ccco3)cc2)cc1OC	160197110	MWKYDDIVHURGNE-AWEZNQCLSA-N	451.435	2.396	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@@H]1CCCO1	175626848	ZNLNAPOHRNKBBF-AWEZNQCLSA-N	318.442	3.892	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1cccc2cnccc12	178496502	AALDOQUESWQOMG-UHFFFAOYSA-N	321.380	3.537	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	255265679	HUXGFTOPMGZAKE-ATTDUZETSA-N	319.320	3.950	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H]1CCCC(F)(F)C1	282752140	ODCLWUVTGPTEJT-ZETCQYMHSA-N	324.158	3.657	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)Cc2ccccc2F)cc1	294489553	WYIOWVYSLYNVOF-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c(F)ccc(O)c1F	490698202	RPPOHSMFDXSGCJ-DHZHZOJOSA-N	314.291	3.525	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@@H](C)O2	726118299	LLTMRXYJHQNRJA-VJMCZWTHSA-N	313.397	3.931	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CCC[C@H]1C	729143168	DBWKHBAXMYSLAQ-KGLIPLIRSA-N	310.397	3.899	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1cc2ccccc2o1	731321661	NEOLXQQBHJVEDH-UHFFFAOYSA-N	310.328	3.655	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@H]1c1ccccc1	732532828	SQXSMYHREWLZJZ-HNNXBMFYSA-N	308.381	3.749	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3c(F)cccc3F)cc2c1C	743455359	KOGUSIVPMQBAOO-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2C[C@H]3CC[C@H]2C3)cc1	747568019	RGFXSHGXIWBKEF-VFUDRUDDSA-N	311.381	3.582	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1c[nH]c2ncccc12	748008730	VVFBMRFFMAIRBK-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CN(NC(=O)[C@@H](OC(C)(C)C)c1ccccc1)c1ccccc1	754453331	UFFNFCCHHYRJES-KRWDZBQOSA-N	312.413	3.710	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cccc(Cl)c2)c(Cl)c1	761864825	KJNJVWBWFJTPPX-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
COc1cc(/C(C#N)=C/c2ccc(C#N)s2)ccc1[N+](=O)[O-]	774563235	YBNHGHSFEGBYIY-IZZDOVSWSA-N	311.322	3.601	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1cnc2ccccc2n1	774791748	OAFLOLMYOAVGCF-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1cccc([N+](=O)[O-])c1	779756386	QXVBVSSDEXIXAK-GFCCVEGCSA-N	305.378	3.773	50	20	DHGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1ccc(Cl)cc1F	788021046	XCRSRBAARMATGM-UHFFFAOYSA-N	324.783	3.688	50	20	DHGD	
CCOC(=O)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12	790141470	IPFLSZBLQBWZJO-UHFFFAOYSA-N	300.145	3.555	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cccc(Cl)c2)cc1C=O	792942714	NBAJAXAGSSHQKL-UHFFFAOYSA-N	302.761	3.526	50	20	DHGD	
CCCN(N=C1CCOc2cc(F)ccc21)C(=O)OC(C)(C)C	794998494	OVXNGOTZAZXKHX-UHFFFAOYSA-N	322.380	3.959	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1ccc(Cl)c(Cl)c1	796588924	YFBFJAKBJHOOLO-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1ccccc1)c1ccccc1Oc1ccncc1	801176959	ZNCYKSDYCDWKTA-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cccc2c3c([nH]c12)CCCC3	808129366	QZKMEBIOCGEBTC-UHFFFAOYSA-N	311.212	3.580	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(O)cc(C(F)(F)F)c1	811626896	PJIULNKJNISWNI-VZUCSPMQSA-N	313.275	3.661	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@H]1CC2CCC1CC2	815855166	HSBUKVQJWHHBPV-CBINBANVSA-N	323.780	3.518	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c[nH]c(C(F)(F)F)c1	815857402	BIKWDZBVAWGUDF-UHFFFAOYSA-N	321.661	3.583	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)CNC2	834846200	PAZDVCNFKMIAJW-OAHLLOKOSA-N	322.499	3.942	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC(C)(C)C(C)(C)O	838721542	XFLFKSROFMOAKU-UHFFFAOYSA-N	321.465	3.542	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCCCC[C@H]2C)cc1OC	844572565	OWXQLJPAIWHGSZ-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
C[C@@H](c1ccc(C(=O)NCCCSC#N)cc1)C(F)(F)F	854367439	SZTIAJJOZRDVMZ-JTQLQIEISA-N	316.348	3.687	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC1SCCS1	856167260	KHBIRSYPJMINNW-JTQLQIEISA-N	323.574	3.623	50	20	DHGD	
Cc1[nH]ccc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912581761	JSNVAUBVPVDZMR-CYBMUJFWSA-N	308.498	3.559	50	20	DHGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)c1	915856086	SFLHHQCQZCHVCM-GDNBJRDFSA-N	320.348	3.547	50	20	DHGD	
CCCCCCC(C)=NNC(=O)CNc1ccc(OC)cc1	917564430	DUQCEAHOGIVKCP-UHFFFAOYSA-N	305.422	3.570	50	20	DHGD	
CCCn1cccc1C=NNC(=O)Cc1ccc2ccccc2c1	918153188	WCJPRXKIMWSAKY-UHFFFAOYSA-N	319.408	3.744	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H](c1cccnc1)C(C)C	928337333	PLPYRYYUJFZMLA-MRXNPFEDSA-N	317.820	3.926	50	20	DHGD	
COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1F	1116373602	KXLJDPLHFZTWSD-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(CC23CC4CC(CC(C4)C2)C3)o1	1325770145	NYZWSRWCAGSLIS-PTNGSMBKSA-N	313.401	3.729	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccc(C)c(Cl)c2)C1(C)C	1342953283	YCLMJAQILNFTMY-OCCSQVGLSA-N	322.836	3.733	50	20	DHGD	
CCCC[C@@H](C(=O)O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	1605234842	VVCWQLXGNWJCKE-KGLIPLIRSA-N	315.530	3.726	50	20	DHGD	
N#C/C(=C\c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccn1	14175632	XVMXJGKIMKNIJF-QIPRVMPFSA-N	306.365	3.704	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)NNC(=O)Nc1ccccc1C	43000510	UJULOSWUXYGRKN-CQSZACIVSA-N	320.437	3.690	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)NC1CCCC1	125831283	QLZLPPFOPGLDPH-NTCAYCPXSA-N	306.365	3.912	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1	151696458	CZOWYGAREKPFGA-YPKPFQOOSA-N	314.429	3.779	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1C[C@@]12CCCc1ccccc12	152998498	CMCSDWXYEGTXBL-HNAYVOBHSA-N	310.372	3.563	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc2ccccc2o1	156234639	FJVFUBSJUFTBSF-UHFFFAOYSA-N	313.265	3.569	50	20	DHGD	
I[C@@H]1CCCCCC[C@H]1OCC1CC1	158085287	ZBHRIBVGHPUBCJ-VXGBXAGGSA-N	308.203	3.939	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2csc(-c3ccccn3)n2)c1	159316497	URMKTQKASMEJRY-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccccc2C)c1C	160691718	DXDLXBWCDUDAQV-WJDWOHSUSA-N	322.412	3.764	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)NCC(C)C)cc1Cl	171157951	OJIZHZIRZKWBRF-ZSOIEALJSA-N	318.804	3.584	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1cccc2cnccc12	178516640	COVGQLMTCAQBII-UHFFFAOYSA-N	305.381	3.701	50	20	DHGD	
Cc1cc(F)c(C(=O)NNc2ccc3ccccc3n2)cc1F	181141915	VFWFUYPXXLJFBX-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CN(CCO)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184433320	CHZJJEZHLPEQLE-UHFFFAOYSA-N	320.283	3.800	50	20	DHGD	
CCCn1c(C(=O)NNc2ccccc2F)cc2ccccc21	188495634	JBQLTEROJVIDIF-UHFFFAOYSA-N	311.360	3.947	50	20	DHGD	
COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1F	254391124	JYZQTWTULISOJI-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	281714339	HZEQWXCFGBKCMO-UKRRQHHQSA-N	316.445	3.642	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C(C)(C)c1c(C)noc1C	281889003	XYDDKFWYHMTTSS-UHFFFAOYSA-N	315.417	3.583	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	726593711	ADGDUOYDSJMVCC-KECPUOCWSA-N	323.352	3.908	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(F)cc1F	727689527	RWFFDFRPPZCOAW-UHFFFAOYSA-N	316.351	3.828	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC2(C)CCCC2)c1C	728705501	RAWUHEGHUODIAX-SFQUDFHCSA-N	313.445	3.871	50	20	DHGD	
CC(=NNC(=O)c1ccc(Br)cc1Cl)C(C)C	728782723	PPPGFXGEKRZKOP-UHFFFAOYSA-N	317.614	3.864	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(F)cc2F)c(O)c1	729280992	YGWFTHCTKQFIFY-UHFFFAOYSA-N	306.312	3.551	50	20	DHGD	
O=C(O)NN=C1CCCc2nc(-c3ccc(Cl)cc3)sc21	738659113	RQIBYLDNCYXCSA-UHFFFAOYSA-N	321.789	3.772	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1Cc2ccccc21	743296288	PFDCHMMKFGXKEP-HNNXBMFYSA-N	323.783	3.671	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc2cccc(F)c2o1	743456176	VTHDFDLSIYCMOY-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
Cc1cc(C=NNC(=O)CC2CCCC2)ccc1Br	746371475	XLBWADIODRNTPX-UHFFFAOYSA-N	323.234	3.788	50	20	DHGD	
CCC(=NNC(=O)c1cc2ccccc2o1)c1ccc(O)cc1	749832470	UZXBIACRIWKEMR-UHFFFAOYSA-N	308.337	3.683	50	20	DHGD	
C[C@H]1CC[C@@H](C)N1[C@@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	750797250	XKYOGQBZZPYKEC-DNYGBREJSA-N	309.457	3.888	50	20	DHGD	
CC[C@H](C)OCC(=O)NN(Cc1ccccc1)c1ccccc1	751562473	MFZPFBJWNNBXCA-INIZCTEOSA-N	312.413	3.540	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1nc(-c2ccccc2)no1	755308333	OAXNDKZFEUUYNB-GFCCVEGCSA-N	316.405	3.642	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(-c2ccccc2)o1	755890845	QZDUAHFDQDYRRY-UHFFFAOYSA-N	310.275	3.739	50	20	DHGD	
CC[C@H]1CC(=NNC(=O)c2ccc(Cl)cc2Cl)CCO1	756822905	CKGYSNSQZVLWES-NSHDSACASA-N	315.200	3.668	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cncc(F)c1	759117187	VPYNWGWHCIFERB-UHFFFAOYSA-N	321.355	3.572	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc3cc(OC)ccc3o2)cc1	763355331	ULCKLWZIERUASP-UHFFFAOYSA-N	322.364	3.768	50	20	DHGD	
CC(C)n1ccc(C(=O)NNc2c(Cl)cccc2Cl)n1	763613537	YUBBIDMJEIHQDP-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)NC1CCCCC1)C1CCC(C)CC1	763727279	BJJSIQKGKVKVQA-ZBCRRDGASA-N	323.481	3.502	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1occc1C	767744332	ZEDGDUPTDRLIMU-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
CC(C)(C(=O)NNc1cc(C#N)cc(Cl)n1)C1CCCCC1	768701754	SQYWNJJBSCRDOR-UHFFFAOYSA-N	320.824	3.656	50	20	DHGD	
CC(C)c1ccccc1NC(=O)NNc1nccnc1C(C)C	770079706	HLOBZKYCLYGIPN-UHFFFAOYSA-N	313.405	3.872	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@@H]1CCCc2sccc21	770404114	OURVQHCIOVOTSY-GXSJLCMTSA-N	317.248	3.742	50	20	DHGD	
CC(C)[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	778494153	QITUZDXXQZFFIM-KGLIPLIRSA-N	317.520	3.584	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](c2ccccc2C)C[C@H]1C	790878013	KJONWKBVPNDIME-KGLIPLIRSA-N	324.515	3.894	50	20	DHGD	
Cc1cccnc1NNC(=O)c1sc2ccc(F)cc2c1C	791212833	VIXIQTRIIWRHRQ-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@@H](CC#N)c1ccccc1	795982852	TYGHLURTOKEZFS-TZMCWYRMSA-N	324.218	3.648	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	798179425	ZUKSPTZPUHIBTH-VKAVYKQESA-N	319.408	3.888	50	20	DHGD	
C[C@H](CBr)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2	805764249	AGXCAGJJRILLEK-KCXAZCMYSA-N	322.290	3.801	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@@H](CO)c1ccccc1	808718863	XIINDDULGVQTGS-INIZCTEOSA-N	309.526	3.674	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cccc2cc[nH]c12)c1ccccc1	814845454	MBPKBKCWLVVKKM-QGZVFWFLSA-N	305.381	3.812	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(C(F)(F)F)cc1Cl	816539235	XOMUXRDCZFEAOO-UHFFFAOYSA-N	322.739	3.693	50	20	DHGD	
Cc1cc(SC#N)ccc1NC(=O)CC1(CC(=O)O)CCC1	817571012	LXGMBNIQNRGYRE-UHFFFAOYSA-N	318.398	3.542	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@H](C)c2ccsc2)cc1	838582043	KIEWPHBDPPMQNH-LLVKDONJSA-N	305.403	3.534	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1C[C@H](C)O[C@@H]1C	840430410	NULXXLOWSPMBLL-ZNMIVQPWSA-N	319.449	3.558	50	20	DHGD	
Cc1ccc(CCC(=O)N(C)CC(Cl)Cl)cc1Cl	848080320	IHKACKVTLLSBKE-UHFFFAOYSA-N	308.636	3.843	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1cc(C#N)ccc1Br	855616230	BOJHOCMKVGGCNO-UHFFFAOYSA-N	324.222	3.590	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1ccc(Cl)cc1F	885106820	JIZYIVBINBHEBE-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
Cc1nocc1C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891548778	DTZZUKYJJVBLKA-ZDUSSCGKSA-N	324.497	3.609	50	20	DHGD	
CCCC(C)=NNC(=O)COc1ccc(Cl)cc1Cl	916255082	ZWTLMPBEDQZAQN-UHFFFAOYSA-N	303.189	3.664	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc(OC(F)F)cc1	916291044	KNXCTNWQTORLNQ-UHFFFAOYSA-N	322.286	3.581	50	20	DHGD	
C[C@@H]1C[C@@H]1CNC(=O)NN(Cc1ccccc1)c1ccccc1	916639870	RSKHBQDXBGFDDO-NVXWUHKLSA-N	309.413	3.563	50	20	DHGD	
CCCO[C@H](C(=O)NNc1ccccc1)c1ccc(F)cc1C	935016248	HEPQWKJBNJSDPK-KRWDZBQOSA-N	316.376	3.745	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnc(CC(C)C)s2)c1	935024364	VISYGLKSSPPZRD-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	1318246420	AVBXXKFMVGSTGD-JXMROGBWSA-N	320.179	3.825	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)c1	1318981835	QMJRTHRLNKIMAA-UVTDQMKNSA-N	316.364	3.675	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2c[nH]c3cnccc23)cc1	1324540977	ISNSMPBJMITJCH-UHFFFAOYSA-N	322.412	3.546	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(N(C)C)c(F)c1	1325968986	RPTGORREHBABHO-GDNBJRDFSA-N	308.356	3.990	50	20	DHGD	
Cc1cnc(Cl)cc1C(=O)NNc1ccc(C(C)C)cc1	1334253694	IWEKSJCXQPAHFQ-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CCCN(C(=O)CCl)[C@H](c1ccc(F)cc1)c1cccnc1	1336912675	ZHRPPDCFNLJWMT-QGZVFWFLSA-N	320.795	3.788	50	20	DHGD	
O=C(NC1(c2ccccc2)CCOCC1)C1CCC(Cl)CC1	1348840734	ALYNLELNWDICCR-UHFFFAOYSA-N	321.848	3.606	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCCCCCC2)c(C)c1	8159575	TZCZQJPYVDHCSI-UHFFFAOYSA-N	301.434	3.932	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1cccc(Cl)c1	68848995	WXESRERNJJJCCU-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ncccc2Cl)c(C)c1	92430818	HSRVLSLBKPSTFU-UHFFFAOYSA-N	320.780	3.591	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1c(F)cccc1F	118515341	ULYZQJPBAWQEHU-ZHACJKMWSA-N	318.323	3.520	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)sc1C	121753616	KASHBTGZFSATEX-UHFFFAOYSA-N	312.341	3.723	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2cc(C)ccc2F)c1	150844797	VPGOSISLIVPFEA-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3sccc3C)n2c1	151412836	QZNUUOXESVMZAK-NTUHNPAUSA-N	307.378	3.803	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	153670397	WKSZRYZORAYFGW-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	178947856	AZAYIYXDQWHOBB-NTCAYCPXSA-N	304.349	3.640	50	20	DHGD	
CC(C)CC[C@@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194771642	JBFQUYLWIUQGMY-WBILKINKSA-N	312.413	3.726	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1	194898126	VIPWXIXYJOMJIU-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CC(=C/c1ccccc1)/C=C(\C#N)C(=O)NCc1ccccc1	206060051	ZGDBXZSMDDKJEA-IYEWMPBZSA-N	302.377	3.856	50	20	DHGD	
O=C(OCc1ccccc1)N1CCCC[C@@H]1CBr	255189350	PFVIAYOETZFRDX-CYBMUJFWSA-N	312.207	3.573	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCCC(F)(F)C1	281903511	AKYZNQVBIDUDER-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
ClCCCOc1ccc(CN2CC[C@@H]([C@H]3CCOC3)C2)cc1	365651762	RPTZOAKLEACEKA-SJORKVTESA-N	323.864	3.553	50	20	DHGD	
CCCN(N=C1CC[C@H](C(=O)O)[C@@H](C)C1)C(=O)OC(C)(C)C	496837984	MLZPAYYGCNYVBW-AAEUAGOBSA-N	312.410	3.510	50	20	DHGD	
COCC(CC(C)C)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	730727537	XBALUVNNHDKGQO-GFCCVEGCSA-N	322.474	3.651	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cccs1	734094205	IPZSWLNFFCXSDH-UHFFFAOYSA-N	308.790	3.651	50	20	DHGD	
CN(N=Cc1cccc2c1OC(C)(C)C2)C(=O)OC(C)(C)C	737430188	LPVJTACASCCOOO-UHFFFAOYSA-N	304.390	3.601	50	20	DHGD	
Cc1cccc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)c1	741772562	ZDKAUTMDLJEINM-UHFFFAOYSA-N	319.311	3.752	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)nc1)C1CCCCC1	745797011	FPYBFDXKERMIDY-CYBMUJFWSA-N	310.829	3.720	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)c1ccc(Cl)cc1F	747329928	NPJICZIOOOYUDG-UHFFFAOYSA-N	314.788	3.601	50	20	DHGD	
C=CCCC(=NNC(=O)c1ccc(OCC)c(OC)c1)C1CC1	747741531	PEEGYZMPJPXGGJ-UHFFFAOYSA-N	316.401	3.556	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCSc2ccccc21	748101297	USZCKBUTLPMBJW-CQSZACIVSA-N	302.374	3.548	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)/C=C1/CC[C@@H](C)C1	748754106	HCXLHLXLNRRLCO-WJEYQPDNSA-N	323.234	3.947	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1ccccc1OC(F)F	749449766	KUBKWVGRAMSACE-UHFFFAOYSA-N	310.344	3.709	50	20	DHGD	
C[C@@H](CCC(=O)NNc1cnnc2ccccc12)c1ccccc1	750537491	MSHZIHDIGUOESG-AWEZNQCLSA-N	320.396	3.657	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)C[C@@H]2C[C@H](C)c3c(C)cccc32)n1	754174719	UFOYJKHIVCQQGA-WFASDCNBSA-N	324.428	3.526	50	20	DHGD	
Oc1nc([C@H]2CC[C@@H](Br)C2)nc2ccc(F)cc12	765984207	ZZKTVZACFCRPES-JGVFFNPUSA-N	311.154	3.506	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(C#N)c(C)c1)c1ccccc1	766451882	ZVLZQMJESHTKBX-GOSISDBHSA-N	305.381	3.511	50	20	DHGD	
CSc1ccc(NC(=O)[C@H](Br)C(C)(C)C)nc1	768161843	YAABGUXVZSMWIM-JTQLQIEISA-N	317.252	3.552	50	20	DHGD	
CCCNC(=O)NN=CCCCc1cccc(C(F)(F)F)c1	769779397	FCUKMILIVWAEDM-UHFFFAOYSA-N	315.339	3.723	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)c2cc(SC)ncn2)c1	773175110	CVUZDQRRUSMYRP-RIYZIHGNSA-N	309.394	3.827	50	20	DHGD	
N#C/C(=C\c1cccc(C(=O)O)c1)C(=O)c1ccc(Cl)s1	774129299	FYVUVPBONYFKKE-YRNVUSSQSA-N	317.753	3.890	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)C1CCCC1	781552838	CLNXVVAXOMOFPN-KPKJPENVSA-N	320.186	3.821	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(F)nc1	792327103	AONGACVEUGZAOA-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@H](CC#N)c1ccccc1	795982848	TYGHLURTOKEZFS-JSGCOSHPSA-N	324.218	3.648	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1c(C)noc1C	799588773	RORFRESOIYQVJJ-LLVKDONJSA-N	316.405	3.550	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)c(OC)c1	799760748	PVCGQMNTSKHCQI-UHFFFAOYSA-N	318.804	3.976	50	20	DHGD	
CSSCCNC(=O)N(CC1CCCCC1)C1CC1	807233385	DSAZLZSZRPUVPI-UHFFFAOYSA-N	302.509	3.752	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NOCc1ccccc1	813061170	TUONKNGYTMOCQM-UHFFFAOYSA-N	313.401	3.876	50	20	DHGD	
Cc1cccnc1CNC(=O)NNc1c(C)cccc1C(C)C	813061518	JZCLAPRRRUOMEN-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
O=C(CCOc1ccc2ccccc2c1)NNc1ccccc1F	813493435	ALVNYBQDXPDZAV-UHFFFAOYSA-N	324.355	3.891	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3c(F)cccc3F)c2c1	815852153	JHRYDZLRAPDLIZ-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
CCc1cnc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	852525355	YGSBOSXJOLNXSR-AWEZNQCLSA-N	310.514	3.833	50	20	DHGD	
C[C@]1(CNC/C=C\c2ccc(F)cc2F)C[C@H]1Br	856810533	YWFLQRTXJJGSFG-DTSKHDKYSA-N	316.189	3.741	50	20	DHGD	
C[C@@]1(CNC(=O)CCCC2CCCC2)C[C@@H]1Br	857396764	GGUIPNCUFIXCQK-JSGCOSHPSA-N	302.256	3.637	50	20	DHGD	
C[C@]1(CNCc2c(Cl)cncc2Cl)C[C@H]1Br	865637386	SYBMXJFJFMRZMR-GHMZBOCLSA-N	324.049	3.652	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@]12CCC[C@@H]1C2	891926044	JYMNHPIVDNYGHK-QLJPJBMISA-N	301.777	3.522	50	20	DHGD	
CC(C)(C#N)CC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912581460	FWNQHDSYRXJBOA-ZDUSSCGKSA-N	310.514	3.549	50	20	DHGD	
C[C@@H](CC(=O)NN(c1ccccc1)c1ccccc1)n1ccnc1	917371989	YGLOFXNONVTRKH-INIZCTEOSA-N	320.396	3.704	50	20	DHGD	
O=C(CCl)N[C@H](Cc1ccccc1Cl)c1ccccc1	1336910061	MTZVUNWAAZJBQR-OAHLLOKOSA-N	308.208	3.979	50	20	DHGD	
O=C(NCCc1cc(F)c(F)c(F)c1)C1CCC(Cl)CC1	1548683168	AYECMCLLBFSDSK-UHFFFAOYSA-N	319.754	3.560	50	20	DHGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1	63277575	LFAXPNLKFUVHAX-VBKFSLOCSA-N	305.333	3.780	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccccc2Cl)c(C)c1	92603106	TXHMEVFFKNOBFV-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
CC[C@H](C(=O)NNc1ncccc1Cl)c1ccc(F)cc1	131206990	NSIJWWYBIPYHFS-LBPRGKRZSA-N	307.756	3.511	50	20	DHGD	
CCN(Cc1ccc(OC)cc1)C[C@H](C)CBr	133640787	KKIARYNWSGUENR-GFCCVEGCSA-N	300.240	3.548	50	20	DHGD	
COc1ccccc1CN(C[C@H](C)CBr)C1CC1	133644772	HIEHQVXDDWCWEW-GFCCVEGCSA-N	312.251	3.691	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1ccccn1)c1ccc(F)cc1F	155525044	HKGKDRUEJAEDLZ-CQSZACIVSA-N	320.343	3.527	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(C#N)o2)c(C)c1	174053916	ZRLXLWSNIRTEOB-RIYZIHGNSA-N	305.337	3.622	50	20	DHGD	
COc1ccc(Br)c(/C=C(\C#N)c2ccccn2)c1	178527856	BGRRCVOERMJBRP-XYOKQWHBSA-N	315.170	3.917	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(F)cc2C)s1	179014564	KIXYZCWCHZBMEM-UHFFFAOYSA-N	307.394	3.608	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1cc(Cl)cc(Cl)c1	184756213	JDALDHRHRCIUKH-UHFFFAOYSA-N	316.637	3.754	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)c1cnc2ccccc2n1	191349410	FRSWHHBVNYTCBP-MHWRWJLKSA-N	323.359	3.880	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(C)oc2ccccc12	192098055	WWKOSOZDTVRVIK-JLHYYAGUSA-N	303.383	3.821	50	20	DHGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(C#N)cc1	196698416	RONYJTUWKCCHRJ-GXFFZTMASA-N	323.234	3.545	50	20	DHGD	
CCOC(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	254908099	NXPLNRBMRWIBKZ-UHFFFAOYSA-N	307.353	3.915	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc1	278777881	VOYTWAUGQDJTCW-VXGBXAGGSA-N	306.818	3.957	50	20	DHGD	
C=C(CBr)CN1C[C@H]2CCC(=O)c3cccc1c32	279788760	VDLRSHDIGBKVPE-LLVKDONJSA-N	306.203	3.518	50	20	DHGD	
COC(=O)N(C)N=C1CCCC[C@@H]1c1ccc(OC)c(F)c1	496852966	CNVIZVJUOXVSAK-GFCCVEGCSA-N	308.353	3.546	50	20	DHGD	
CCCCCC[C@H]1CCCC1=NNC(=O)Cc1cc(C)[nH]n1	728156085	ATKKANILSNXGPO-AWEZNQCLSA-N	304.438	3.503	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)s1	730578673	VQYGHIJMJFZXKV-JYRVWZFOSA-N	323.826	3.978	50	20	DHGD	
C[C@H]1CCCC[C@H]1N1CCC(=NNC(=O)OC(C)(C)C)CC1	733901511	AGNRBBIAEKYXFK-DZGCQCFKSA-N	309.454	3.542	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1cccc(Cl)c1Cl	735461448	HXVFSVRIAITIRP-WKMLFNHBSA-N	313.184	3.615	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C1CCCCCCC1)c1ccccc1	741571596	UAXSKNMJYPDILK-KRWDZBQOSA-N	316.445	3.688	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1cc(F)c(F)c(F)c1	746705065	XFIZVGSBVKZTAX-LBPRGKRZSA-N	322.330	3.816	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)OC2CCCCCC2)c1	748415686	AGBSNMQMPDPOAW-HNNXBMFYSA-N	304.434	3.874	50	20	DHGD	
COc1ccc(C2(C(=O)NNc3cccc(C)c3)CCC2)cc1	749527200	CJPVYGCBXXQPMX-UHFFFAOYSA-N	310.397	3.569	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2ccc(F)cc2F)cc1	752143131	ATNHEMWFXYMLBY-UHFFFAOYSA-N	322.380	3.763	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2ccncn2)c(OC(F)F)cc1C	758910709	FTHJSVCJSABLSV-NTUHNPAUSA-N	301.296	3.759	50	20	DHGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NN(C)c1ccccc1	763473196	KLHOSQMUEYWLGD-UHFFFAOYSA-N	313.788	3.911	50	20	DHGD	
Cc1cccc2c1CCN2/C(=C\C#N)c1cccc([N+](=O)[O-])c1	764325671	JBNLEPCHMSNANM-IUXPMGMMSA-N	305.337	3.830	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1	767160242	OCBCRHOVSUOSMO-STQMWFEESA-N	321.207	3.779	50	20	DHGD	
CC(C)(C#N)CCCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	768753197	DGQUJLCTKHMJBZ-RVDMUPIBSA-N	312.369	3.562	50	20	DHGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@@H](CC)c1ccccc1	769793210	OWJASFPGTCQAOW-HNNXBMFYSA-N	313.401	3.579	50	20	DHGD	
C[C@H](CBr)CN(C)CCCOc1ccc(F)cc1	770648273	QXWZOSRYUAAPGR-GFCCVEGCSA-N	318.230	3.557	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2ccccc2Cl)cc1C	776028575	UCVVZZQXSMXXDB-SNVBAGLBSA-N	321.812	3.965	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccccn2)c(O)c(C(C)C)c1	777470110	CQKCUUXMZFXUKI-UHFFFAOYSA-N	313.401	3.791	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)NC1CCCC1	788732507	KCQJIYVTCOVFAL-JLHYYAGUSA-N	302.805	3.868	50	20	DHGD	
COc1cc(NNC(=O)c2ccccc2Cl)ccc1Cl	790178110	VFLOHRWPOHDDEB-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C(C)(C)CC)cc1	790597949	HSYSMEHXRJKFCC-GFCCVEGCSA-N	305.422	3.573	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=C[C@@]2(C)CCCS2)cc1	792928985	UYIFLDQGINSILP-QGZVFWFLSA-N	304.459	3.985	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](CC)Cc1ccccc1	795509670	LPRJCAHNQFWTIL-AWEZNQCLSA-N	311.219	3.750	50	20	DHGD	
N#C/C(=C\c1cccc(Br)c1)C(=O)c1ccoc1	798230143	MEUWAAIUUJPNHB-WUXMJOGZSA-N	302.127	3.832	50	20	DHGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1ccoc1	798230348	PSBSMDCEZJXGSR-KPKJPENVSA-N	307.334	3.588	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(C(F)(F)F)s1	802826126	WGVIYYRZTQAODI-UHFFFAOYSA-N	304.268	3.663	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1ccc(C2CCC2)cc1	806471285	BBIINACEDLCTTK-UHFFFAOYSA-N	300.337	3.637	50	20	DHGD	
C/C(C=NNC(=O)C1CCC1)=C/c1ccccc1OC(F)F	811642374	OLHADGZMDHTPHM-KONRHVFCSA-N	308.328	3.593	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1CCCO)c1cccc2ccccc12	814855236	IKVMJZYIPFCGLI-MRXNPFEDSA-N	324.424	3.888	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc2ccccc2n1	827884047	XGLZZCZKWCDJSO-JTQLQIEISA-N	311.307	3.657	50	20	DHGD	
CSCc1cccnc1C(=O)NNc1ccc(C(C)C)cc1	837053767	SDCVNGIASAIQBN-UHFFFAOYSA-N	315.442	3.825	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cncc(C(F)(F)F)c2)cc1	837054264	WUHZKVDRVDGDLD-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(N(C)C)cc1	851950398	ONJLNHJFGZYBJZ-GLQYFDAESA-N	311.267	3.577	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3c(O)cccc32)C[C@H]1Br	851978392	LNCRLKTUJOOSLQ-BPLDGKMQSA-N	310.235	3.533	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)c1cc2c(s1)CCCCC2	855469433	FZXLGMFNGOLUGX-UHFFFAOYSA-N	321.833	3.822	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)cc2NC)cc1	857511940	CXCPUVUWILWITD-UHFFFAOYSA-N	319.792	3.537	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cccc(C(F)(F)F)c2)c(C)n1	907092357	FJWPLJPQCSETRY-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CCn1cc(C=NNC(=O)NC2CCCCC2)c2ccccc21	915047953	KIJBUNBQRGYYNK-UHFFFAOYSA-N	312.417	3.627	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc(-c3ccccc3)on2)cc1C	915958246	UIZBMBHQCMKKFZ-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCC[C@@H](C)C3)n[nH]2)cc1	915968200	XGRDDRAEHFCCRM-CYBMUJFWSA-N	310.401	3.681	50	20	DHGD	
CCC(C=NNC(=O)CSc1nc2ccccc2s1)CC	916304344	NTAUEQUBXMRSEO-UHFFFAOYSA-N	321.471	3.927	50	20	DHGD	
CC(C)C(=O)NN=Cc1ccc(-c2nc3ccccc3s2)o1	916327612	OBVVHXJTNNDYPC-UHFFFAOYSA-N	313.382	3.662	50	20	DHGD	
CC(C)(C)OC(=O)COC(=O)CCCC[C@H]1CCSS1	916602293	JKPJRFFLQVDXRK-NSHDSACASA-N	320.476	3.585	50	20	DHGD	
CCCCCCC[C@H](C)CNC(=O)NNC(=O)c1ccccc1	918134731	CQJLXGMMHKALCR-HNNXBMFYSA-N	319.449	3.627	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)c1	920064344	RTTZYSXWSLVAOY-MDWZMJQESA-N	309.369	3.506	50	20	DHGD	
BrC[C@@H](CN[C@H](c1ccncc1)C1CC1)C1CC1	934702339	WHMIPMLRBZGWMG-GJZGRUSLSA-N	309.251	3.543	50	20	DHGD	
COc1ccc(CN(C(=O)C2CCC(Cl)CC2)C2CC2)cc1	1123575949	JWDMWGYTLHHLII-UHFFFAOYSA-N	321.848	3.984	50	20	DHGD	
CC(C)(C)OC1CCN(C(=O)C2CCC(Cl)CC2)CC1	1123661577	DPFFNRRDBFFSBP-UHFFFAOYSA-N	301.858	3.590	50	20	DHGD	
O=C(NN=Cc1ccc(OC(F)F)cc1)c1ccccc1Cl	1317703698	MPWVLVXLIRJKFL-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1csc(C(C)C)n1	1337672172	NVPQFIOYXFQVTH-UHFFFAOYSA-N	302.403	3.731	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H](CC(F)(F)F)C1	1349951134	LBDXTTRCKSRWCY-UNXYVOJBSA-N	311.775	3.975	50	20	DHGD	
COc1ccccc1C1(NC(=O)C2CCC(Cl)CC2)CC1	1521672016	ZVKIOVMVENNFOB-UHFFFAOYSA-N	307.821	3.598	50	20	DHGD	
CC1=C(C)C[C@](C)(C(=O)NNc2ccc(C)c(C(=O)O)c2)CC1	1594110325	UIAGTEMXXWAQDF-GOSISDBHSA-N	316.401	3.663	50	20	DHGD	
CC1=CC[C@@](C)(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	1604615892	WBVQMGGMAMVMKT-MRXNPFEDSA-N	322.792	3.618	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccc(C(=O)O)cc1	1776100372	DIEOCLGLIAPYJQ-LBPRGKRZSA-N	304.390	3.563	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1C	7211240	XMUSMWFGLUFPOP-GHRIWEEISA-N	301.345	3.797	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2F)cc1	78561124	HCCHVCCIMDQANQ-XFXZXTDPSA-N	314.291	3.519	50	20	DHGD	
CC(C)(C)Sc1ccc(NC(=O)NNc2cnccn2)cc1	92602894	MWHJJTZGQSFKNC-UHFFFAOYSA-N	317.418	3.516	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1nc2ccccc2s1	96609800	UDMWIIOPWVXUHX-XFXZXTDPSA-N	321.361	3.548	50	20	DHGD	
O=C(NCc1cccc(C(F)(F)F)c1)NNc1ccccc1	114910956	QQHWYLBDBQEHJU-UHFFFAOYSA-N	309.291	3.532	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc(Cl)c1	121673924	NZWCGJDRFSDVPN-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)c1cccs1	132787214	BFODPEWJOWQKCF-SSDOTTSWSA-N	316.213	3.697	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2ccc(F)cc2C)cc1C	180443394	OLVRQRKZSYEFKL-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
O=C(NNc1ccncc1)C1(Sc2ccccc2)CCCC1	183013450	PSIHJHPEDPLJOR-UHFFFAOYSA-N	313.426	3.630	50	20	DHGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)c1cnc2ccccc2n1	191361376	ATPVFYORBOTXSM-XYOKQWHBSA-N	303.369	3.715	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC)cc2OC)c1	212137965	VNZUBKXWWBIXRP-DHDCSXOGSA-N	323.348	3.502	50	20	DHGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)NCc1ccccc1	490942589	OXEGKEZCGLHDIN-BOPFTXTBSA-N	302.333	3.656	50	20	DHGD	
Cc1ccccc1[C@@H](NC(=O)NNc1ccc(F)cc1)C1CC1	732895163	WXXJNLSHQHBYFJ-KRWDZBQOSA-N	313.376	3.912	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNc1ccc(F)cn1)C(C)(C)C	734536416	JOEDCBHPXUWMRL-CYBMUJFWSA-N	310.417	3.842	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1c(F)cccc1F)c1ccccn1	735760099	LUWSQDAMUNDSMJ-CQSZACIVSA-N	320.343	3.527	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1C	741471348	XOXACTJYEOTNOO-ZROIWOOFSA-N	304.353	3.648	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1C[C@H]1C1CCCCC1	745857962	NHYYAGBJBFGNQI-SWLSCSKDSA-N	307.825	3.935	50	20	DHGD	
CCCCO[C@H]1CC(=NNC(=O)c2ccccc2F)C1(C)C	747626388	XTICOUZJTCDBLP-HNNXBMFYSA-N	306.381	3.527	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1cccc(F)c1	748089639	WMBHNBCAFICQAY-QGZVFWFLSA-N	300.377	3.784	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)/C=C1/CC[C@H](C)C1	748754103	HCXLHLXLNRRLCO-JMZICWNOSA-N	323.234	3.947	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCCC[C@@H]1N1CCCCC1	748780639	MRMISHYMPLSYDS-SFHVURJKSA-N	313.445	3.509	50	20	DHGD	
CCC[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752541956	CDIUQKGEHPFSSZ-DFSFMLJYSA-N	300.377	3.771	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1c(O)cccc1Cl)c1ccccc1	755721806	LNGAFTZTSZDRBF-CYBMUJFWSA-N	316.788	3.690	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1cccc(N(C)C)c1	764668081	WPMJOFRRLVVPMS-MRXNPFEDSA-N	301.434	3.685	50	20	DHGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)[C@H](Br)C(C)(C)C	767326190	HCPZODWJCJMCOU-KGLIPLIRSA-N	324.262	3.908	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccc(Cl)nc2)cc1	769150090	KMUGMADEEOOILE-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
N#C/C(=C\c1cccc2c1OCCCO2)C(=O)c1cccc(F)c1	772179805	RHIKKFOOYDIZIM-XNTDXEJSSA-N	323.323	3.777	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2cc(SC)ncn2)cc1Cl	773175947	ILTMXNBQASKBJP-VZUCSPMQSA-N	317.801	3.925	50	20	DHGD	
COCC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCCC1	780195557	CSKBSCPGDROOLQ-UHFFFAOYSA-N	318.461	3.512	50	20	DHGD	
COc1cc(C(=O)NNc2ccccc2)cc(OC)c1C(C)C	781348179	AHULVMOPVQNWHC-UHFFFAOYSA-N	314.385	3.584	50	20	DHGD	
O=C(NNC(=O)C1(C2CCCCC2)CCCCC1)C1CCCC1	791507022	FVUVPLOOYQNJIL-UHFFFAOYSA-N	320.477	3.855	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	795118476	CQETWVPPFCRJPX-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
C=C(CBr)COC(=O)CCCSC(C)(C)C	795567850	RKTDPEXEJCWTRU-UHFFFAOYSA-N	309.269	3.793	50	20	DHGD	
O=C(NNc1ccccc1)[C@H](F)c1ccc(C(F)(F)F)cc1	801929150	GWGOFDDVHODABR-CYBMUJFWSA-N	312.266	3.859	50	20	DHGD	
N#Cc1ccc(Cl)c(C(=O)NNc2cccc3cnccc23)c1	802829065	KJENPKWWJQXMSH-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(F)n1)c1ccc(C)cc1	804768097	NBGDGOXZTJGDII-CYBMUJFWSA-N	301.365	3.556	50	20	DHGD	
CSSCCNC(=O)N1CCCCC[C@H]1c1ccco1	807227839	HPUQRCVLIUGFQR-LBPRGKRZSA-N	314.476	3.918	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1CC[C@H]1C1CCC1	814754047	IJGVAEUFNKOVIW-HNNXBMFYSA-N	320.433	3.990	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1C)c1ccc(Cl)c(N)c1	814763893	NAEOYNUXMGBAIX-UHFFFAOYSA-N	315.804	3.775	50	20	DHGD	
C/C(=C/C(=O)NCC(Cl)Cl)c1ccccc1OC(F)F	819794975	QJFHJSNPKWLTLG-VURMDHGXSA-N	324.154	3.611	50	20	DHGD	
CC(C)C[C@H](C(=O)NNC(=O)C(C)(C)C)c1ccc(Cl)cc1	822253152	SZFANCRYIADRRH-AWEZNQCLSA-N	324.852	3.663	50	20	DHGD	
O=C(NN=C1CCCC12CCC2)c1cc(-c2ccccc2)[nH]n1	834919381	CWOLCETURWHSJZ-UHFFFAOYSA-N	308.385	3.517	50	20	DHGD	
Cc1csc([C@H](C)NC(=O)NNc2c(C)cccc2Cl)n1	838227527	FVPSJUMHRRILRY-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)c(-c2ccnn2C)c1	840734933	LJFLADAHHMLLKK-UVTDQMKNSA-N	311.360	3.620	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1cc(Cl)ccc1NC(C)C	855235670	LEIRPPDCBMPVQF-LUAWRHEFSA-N	307.781	3.543	50	20	DHGD	
COc1ccc2oc(CNC[C@]3(C)C[C@@H]3Br)cc2c1	856810489	YIKQQMLCYOVWTO-GJZGRUSLSA-N	324.218	3.705	50	20	DHGD	
Cc1nc([C@H](C)NC[C@]2(C)C[C@H]2Br)c(C)s1	857066169	YNRZDHSKMXOMNR-KOLSJAJHSA-N	303.269	3.584	50	20	DHGD	
CCOc1cccc(CCC(=O)NNc2cc(C)ccc2F)c1	860326931	SZGBGIHVNQSXNY-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Cl)ccc2OC(C)C)n1	862524032	RZJIWFGVDFXQDU-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CC[C@@H](NNC(=O)c1cc(C)cs1)c1ccc(F)cc1F	863378840	TVBLNSBNCZTIPO-CYBMUJFWSA-N	310.369	3.720	50	20	DHGD	
CCC[C@H](OCC)C(=O)NNc1ccnc2cc(Cl)ccc12	863854031	SYMNUXNTVKSIGJ-HNNXBMFYSA-N	321.808	3.537	50	20	DHGD	
C[C@@H](Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)O	904199822	MSWQGUFICCLROS-LDWIPMOCSA-N	313.728	3.791	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(F)ccc2F)cc1	915951193	YMXDOZVYNVFMQU-UHFFFAOYSA-N	320.364	3.516	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1cccs1	916345948	QRPSRRQZEOMXNY-UHFFFAOYSA-N	304.440	3.689	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)CC(C)(C)C)O[C@@H](C)C2	918714466	XLMZIHFDCGTSME-CUTJPZLCSA-N	313.397	3.931	50	20	DHGD	
COc1cccc2cc(C=NN(C)C(=O)OC(C)(C)C)oc12	920381423	QROJODRZKDUBHZ-UHFFFAOYSA-N	304.346	3.642	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1csc(C(C)C)n1)c1ccccc1	1116025629	OGJWEXZOCDYYSN-OAHLLOKOSA-N	315.442	3.910	50	20	DHGD	
COc1ccc(-c2csc(NC(=O)CCl)n2)cc1Cl	1116438426	PRPREAWTSHLPCW-UHFFFAOYSA-N	317.197	3.649	50	20	DHGD	
CC(C)(C(=O)N1CC=C(C#N)CC1)c1ccc(Cl)c(Cl)c1	1320786393	OAEIBMWKEJHRBJ-UHFFFAOYSA-N	323.223	3.953	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)N3CC=C(C#N)CC3)CCC2)cc1	1325381796	CJCYQVQTNXNDNA-UHFFFAOYSA-N	308.425	3.914	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1(Sc2ccccc2)CC1	1327353215	KDINHENTDYDHBZ-UHFFFAOYSA-N	319.817	3.503	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)o1)C(=O)c1ccc(F)c(Cl)c1	1610619109	QEZISDLOXHJIGF-WEVVVXLNSA-N	319.675	3.560	50	20	DHGD	
CN(CC(=O)O)C(=O)c1ccc(S(F)(F)(F)(F)F)cc1	1610913055	DMRCBOPZYLQPNV-UHFFFAOYSA-N	319.251	3.501	50	20	DHGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCCCCCC1	7993522	KGNSPZSZTOHUIS-UHFFFAOYSA-N	312.417	3.561	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC)c(C)c2)c1	11331102	PTKDVISQDTYFOI-MHWRWJLKSA-N	307.349	3.802	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(N(C)CCC#N)cc1	17475655	VBWGJJADBCLSCX-FOWTUZBSSA-N	319.364	3.728	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)Nc1ccc(Cl)cc1	31091305	HAXHYQWUFASNDN-UHFFFAOYSA-N	318.764	3.507	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	45481037	YOGQXJFSSQDFIQ-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccccc2Cl)cc1OC	91985082	APTWPPSRLMTKSI-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccnc4ccccc34)[nH]c2c1	106925092	UATJFOPGZCEYKR-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cccc(C(F)(F)F)c1	114883168	DCFRXYFDKMYQLU-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2ccccc2)no1	119035810	VWCSEBPTDHEMNE-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1cccc(C(F)(F)F)c1	129896873	GFQBUVCDLHCCIH-RUDMXATFSA-N	323.299	3.708	50	20	DHGD	
COc1cccc(C2(C(=O)NNc3ccccc3)CCCC2)c1	151235557	HMLRRJQWUMKUCR-UHFFFAOYSA-N	310.397	3.650	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NNc1ccccc1F	153079119	VGALHJDXJWBXME-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
COc1ccccc1C[C@H](C)CC(=O)NNc1ccccc1F	153128332	DADBVFDUTFQPGJ-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
CCN(c1ccc(C(=O)NNc2ccc(C#N)cc2)cc1)C(C)C	155301115	OFHFTCOLVILALX-UHFFFAOYSA-N	322.412	3.550	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3nc(C)ccc3c2)c1	159209814	VQRYDSTYHAVFTK-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)CC(C)C)c1	171989427	IXTWTKXKCOIPBQ-KPKJPENVSA-N	309.312	3.819	50	20	DHGD	
CCc1cnc(CN(C)/C(=C/C#N)c2ccc(F)cc2)s1	175460792	SYFWXMJMPSJAAH-OVCLIPMQSA-N	301.390	3.841	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3ccc(F)cc3)n2c1	178766638	NXCUCKJGZKBYJH-RIYZIHGNSA-N	305.312	3.572	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)c(C)n1C(C)C	181113446	KBXZZMRJHIITJA-UHFFFAOYSA-N	322.412	3.991	50	20	DHGD	
CCc1sc(C(=O)NNc2ccc3ccccc3n2)cc1C	181132993	AZRUCZNTVRHHSI-UHFFFAOYSA-N	311.410	3.924	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2nccn2CC(F)(F)F)cc1	184888327	BAQJBDAOEADEBX-MDWZMJQESA-N	319.286	3.544	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCOc2ccccc2C)cc1	212066858	KJFMFSDVZLXOQT-AQTBWJFISA-N	321.376	3.833	50	20	DHGD	
C[C@@H](CCC(=O)NNc1cccc(Cl)n1)c1ccccc1	293666615	JXHLSJIAQSDSRP-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
COc1ccc(/C=C\C(=O)NNc2ccc(Cl)c(F)c2)cc1	492235196	UWRUKOFAANUBPP-WTKPLQERSA-N	320.751	3.644	50	20	DHGD	
COc1ccccc1CC(C)=NNC(=O)CCCc1ccccc1	727688610	BRXGCVXJGAAPIN-UHFFFAOYSA-N	324.424	3.753	50	20	DHGD	
CC(C)c1ccccc1OCC(=O)NNc1c(F)cccc1F	735701311	UMTTXWHZJDSPRU-UHFFFAOYSA-N	320.339	3.610	50	20	DHGD	
C[C@@H](C(=O)NNc1ncccc1Cl)c1cccc(Cl)c1	743412807	SPZVUCASNHENMH-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)NC1CCCC1	743532371	YGEPMIGOTYQXKM-UHFFFAOYSA-N	315.348	3.661	50	20	DHGD	
CC(C)CC(=O)NN=C[C@H](C)c1cccc(Br)c1	747630421	PIKCZIBNOSYAQT-NSHDSACASA-N	311.223	3.701	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@@]23CCc2ccccc23)c1	748395332	MGVHQWWOIPYEKA-YLJYHZDGSA-N	306.409	3.651	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1	755254369	SDKBLKXZVHOLFZ-HNNXBMFYSA-N	324.424	3.594	50	20	DHGD	
N#C/C(=C/c1cc(Br)ccc1Cl)c1ccncn1	758914699	IOJSFRWRISXESL-YHYXMXQVSA-N	320.577	3.957	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1F)C(=O)NCc1ccccc1	759642703	IPMQAIKLDPVTMG-NTEUORMPSA-N	314.747	3.702	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(F)cc1	766751995	OLJHQHMJWVHVOJ-NSHDSACASA-N	303.171	3.679	50	20	DHGD	
Cn1ccc2c(C(=O)NNc3c(F)cccc3Cl)cccc21	771674208	MVMCCHMKYKKNDM-UHFFFAOYSA-N	317.751	3.728	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc(OC(F)F)cc2)ncn1	773173623	SNYMSMGFSTZSNI-IZZDOVSWSA-N	319.336	3.864	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2ccc3ccccc3n2)cc1	777463311	ODWXYGHTRTUJFY-UHFFFAOYSA-N	319.408	3.873	50	20	DHGD	
C=CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	777841239	HBEHVSRLCVUUCF-LDADJPATSA-N	313.445	3.702	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1c(C)nc2ccccn12	779759383	UOEKQDRTAJAYCN-CYBMUJFWSA-N	314.433	3.821	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	785870862	PTYTVFWROWJOMS-UHFFFAOYSA-N	323.736	3.722	50	20	DHGD	
N#CC(C#N)=CNCC1(c2cccc(Cl)c2F)CCCC1	790097462	XVMQIEVHTHEUFX-UHFFFAOYSA-N	303.768	3.812	50	20	DHGD	
Cc1n[nH]cc1C1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	792922828	BGCBRIKQOREBFX-FXBPXSCXSA-N	310.376	3.601	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccc(F)cc1Br	800520363	AZCWVMVNDHPKOB-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CSCC(F)(F)F	812766659	LRDRDRXQRJGPHK-UHFFFAOYSA-N	320.380	3.857	50	20	DHGD	
CCSCCCNC(=O)NNc1c(C)cccc1C(C)C	813155845	DGXAFYIVDFNUHT-UHFFFAOYSA-N	309.479	3.888	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)NCc1ccc(Cl)cc1	814847291	IGYZUCJPOXYDTD-UHFFFAOYSA-N	313.854	3.657	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cncc(-c2ccccc2)c1	817010096	MAUADCHCXYFYHM-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CO[C@H]1CCN(Cc2ccc(OCCCCl)cc2)C[C@H]1C	824821340	YNSHJTOUDUIRKX-PBHICJAKSA-N	311.853	3.551	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)OCCCCO2)C(=O)C1CCCC1	834434101	AFHYMHNPSJMSSG-WJDWOHSUSA-N	311.381	3.904	50	20	DHGD	
Cc1ccnc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	844337654	TVEWHJANYTTYMR-OAHLLOKOSA-N	321.541	3.771	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@H](C(F)(F)F)C1)NC1CCCCC1	853265295	NIAAJJGQOBYUEK-RYUDHWBXSA-N	319.371	3.973	50	20	DHGD	
C[C@@]1(CNC(=O)c2sccc2C2CC2)C[C@@H]1Br	857399058	BFAZFFFFARXWFQ-GWCFXTLKSA-N	314.248	3.529	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NN[C@H](C)C(F)(F)F	862318346	SBHDYJQMHGOXGO-IJLUTSLNSA-N	314.351	3.548	50	20	DHGD	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	865943274	JWGKDATYOCFLNY-YRUBURHZSA-N	301.434	3.583	50	20	DHGD	
O=C(C=C1CCCCC1)NNC(=S)Nc1cccc(Cl)c1	873784279	BGDFSTMKGAICJP-UHFFFAOYSA-N	323.849	3.548	50	20	DHGD	
Cc1cc(OC(C)C)ccc1NC(=O)NCC(Cl)Cl	878365289	YZXNHYFGMHLINF-UHFFFAOYSA-N	305.205	3.707	50	20	DHGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)c1ccccc1	915981243	LZOQXONUSGGGFK-GXDHUFHOSA-N	317.373	3.995	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(C)(C)c3ccccc32)c(O)c1	920374854	MITOIKHHKUDPJN-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC(C)O[C@@H]1CC(=NNC(=O)c2ccccc2Cl)C1(C)C	1254919472	NRGGUZQSUSKUJY-CQSZACIVSA-N	308.809	3.649	50	20	DHGD	
COc1cc(F)cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	1320187126	PTRCWDZWZFRDJH-SDQBBNPISA-N	314.291	3.519	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2ccccc2C(=O)O)cc1	1604973281	RQICSBQYZZGSIB-LBPRGKRZSA-N	312.369	3.655	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-n2cccc2)cc1	73696668	FVZUVFRRQHUNQL-UHFFFAOYSA-N	313.307	3.512	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccccc2)cc1Cl	120081502	BWHTUWJIGLCEBX-UHFFFAOYSA-N	305.765	3.887	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2ccccc2o1	122843122	KXDVQOAFGQMGDV-UHFFFAOYSA-N	318.279	3.791	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)CCC(C)(C)C	130490789	UMUYFMDMQCQMIP-NSHDSACASA-N	313.873	3.683	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1=CCCCCC1	131888162	DEDJWYXGULLILM-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=S)Nc1ccc(C)c(C)c1)C(C)C	134274590	MMJINTIZIZXIEU-OAHLLOKOSA-N	321.490	3.693	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@@H](C)c2c(C)noc2C)c1	161123223	ZVLCDFFWGFTTOA-GFCCVEGCSA-N	301.390	3.545	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)c1	163782056	AQZFHFRPIIQJPY-UHFFFAOYSA-N	324.211	3.949	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	172000449	MSXORYFHBXTZGV-YRNVUSSQSA-N	314.282	3.668	50	20	DHGD	
C[C@H](NC(=O)OC(C)(C)C)c1ccc(NC=C(C#N)C#N)cc1	174586168	ZLEAOIJHEBXSEA-LBPRGKRZSA-N	312.373	3.615	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccccc3nc2C)c1	192475772	IUTZQPKELJSJSQ-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
Cc1csc([C@@H](NC[C@@H](C)CBr)C2CC2)n1	309424753	KGCNTYTYQCCXPV-KWQFWETISA-N	303.269	3.523	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1scnc1C1CC1	491159191	HWRKAKYZGJGGKI-DEXZEKDLSA-N	315.442	3.622	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1cc(Cl)cc(Cl)c1	493225973	RBVPBYCBSDWGTG-NSCUHMNNSA-N	322.195	3.853	50	20	DHGD	
Cc1cccc([C@@H](C)CNC(=O)NNc2ccc(F)cc2)c1	741426479	RZZHJQRXVGANAB-ZDUSSCGKSA-N	301.365	3.564	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ccc(OC(F)(F)F)cc1)CC	748501135	DSLYBGBODYMYQU-UCENINCXSA-N	314.307	3.941	50	20	DHGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1cccc2c1CCCC2	748573574	COLDKGODKOBXES-RDTXWAMCSA-N	316.445	3.604	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2ccsc2)cc1OC	751445269	BQRSQUZHQNEXKR-VGOFMYFVSA-N	313.378	3.864	50	20	DHGD	
CO[C@@H]1C[C@H](NC(=O)CCCC[C@H]2CCSS2)C1(C)C	753311519	DVBWBTYKGKHZCG-RWMBFGLXSA-N	317.520	3.630	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cnc1Cl	760263380	HBQGGLJLWCTYND-WUXMJOGZSA-N	309.760	3.687	50	20	DHGD	
C[C@@H]1CCCC[C@H]1OCC(=O)NNc1c(F)cccc1Cl	770203832	TZBOFVIGCFLORO-ZWNOBZJWSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)c1	771520762	MUTZDTGIDMHULU-WJDWOHSUSA-N	319.360	3.865	50	20	DHGD	
Cn1c(/C(C#N)=C\c2nc3c(s2)CCCC3)nc2ccccc21	776266842	TUDLWLGJLPDPDS-BENRWUELSA-N	320.421	3.973	50	20	DHGD	
C[C@@H](C(=O)N1CC=C(C#N)CC1)c1c(Cl)cccc1Cl	780690552	ZDGZSUTYODFXRA-SNVBAGLBSA-N	309.196	3.779	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C#N)c(C)c2)cc1	782068491	CKYVAFYCJGHYRU-VXLYETTFSA-N	316.360	3.826	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc3ccccc3[nH]2)cc1	788419436	JHVDPOPKZWODNZ-UHFFFAOYSA-N	323.421	3.719	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Oc1cccc(C(C)C)c1	791155799	VOMFBYTWSULBEW-GFCCVEGCSA-N	313.488	3.705	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@H](F)CC2CCCCC2)cc1Cl	793806824	ZIWDJBUNUJRBOW-OAHLLOKOSA-N	323.799	3.963	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccccc1Cl)c1cccnc1	797947099	MJSBOZOLZMZLPI-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2cc(C)ccn2)cc1	826794217	OHSBOYYSMQFQEX-UHFFFAOYSA-N	313.401	3.714	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	836933703	NDFUDQOVWJTOEI-ZFWWWQNUSA-N	324.852	3.933	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2coc3c2C(=O)CCC3)cc1	837052919	GVZUXUSJJBGUPI-UHFFFAOYSA-N	312.369	3.679	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccn2CC)c1C	840730394	GMYQZGJCWLQABA-FOWTUZBSSA-N	307.397	3.902	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1C[C@H]1C1CCC1	845857209	TVQVFAYEUJICMV-QWHCGFSZSA-N	323.234	3.637	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2ncccc2Cl)c1	848370193	NOUFNDWLGVEUNC-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1cccnc1Cl	857082545	OAJYOEWZIARLJM-XRNSZHNASA-N	303.631	3.559	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(OCCC(C)C)cc2)n1	862525268	KLGNMCVCGBITBW-UHFFFAOYSA-N	313.401	3.572	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)o1	899344241	OIXOLJZDWBOOGG-XYOKQWHBSA-N	318.398	3.949	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(F)c(C)c2)c(C)c1	916231230	JOUVSWSJZSATBS-UHFFFAOYSA-N	315.392	3.886	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1oc2ccccc2c1C	917556571	ZXNVSTCVAODMMQ-UHFFFAOYSA-N	322.364	3.909	50	20	DHGD	
CCCn1cccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	918184853	UCBFXFSZHUWYFN-WIZMWCRPSA-N	307.397	3.682	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2ccc(F)cc2F)cc1	919206302	VDFRNZOIHFBCGQ-UHFFFAOYSA-N	318.367	3.993	50	20	DHGD	
CCCC[C@H](C)N(CCCC)C(=O)/C(C#N)=C\c1cnn(C)c1	1117816473	ZSOLMFJQSWSUPB-ZCQLHAAUSA-N	316.449	3.534	50	20	DHGD	
C[C@@H](COc1ccccc1F)NC(=O)C1CCC(Cl)CC1	1123510950	YWIJZAJNDRRLCO-HIFPTAJRSA-N	313.800	3.507	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	1319482847	RERKDTKKKHLPDD-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
Cc1c([C@@H](C)NCc2ccc(OCCCCl)cc2)cnn1C	1343552174	KICDMDYVYSWLRK-CYBMUJFWSA-N	321.852	3.587	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)cs1)c1nc(C2CC2)cs1	1601046465	ZFVYMZHJXCEMKM-YCRREMRBSA-N	302.380	3.844	50	20	DHGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1nccs1	33422008	JLQFHYXBTXTNPK-YFHOEESVSA-N	323.299	3.708	50	20	DHGD	
Cc1ccc(NC(=O)c2ccccc2)cc1NC=C(C#N)C#N	55007469	ORHXLALMDMIWQS-UHFFFAOYSA-N	302.337	3.590	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)cc1	78322570	JWPWMNNPOWFMHX-PDGQHHTCSA-N	320.392	3.617	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(Cl)n1	103276807	OFRCYTQMWWEKIE-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cc(Cl)cc(Cl)c1	158095771	TUMQVUOZKPRRRE-UHFFFAOYSA-N	320.176	3.555	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(-c3ccc(F)cc3)on2)cc1	158884070	CTMYZLXOCMILNJ-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccc(F)cc2C)s1	160671382	OOLACSSWXKKWCT-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)c1cc(F)cc(F)c1	194537969	KGDFGCFUDZXGCP-QDEBKDIKSA-N	303.239	3.599	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(COC)c2)cc1	255766896	DQAJXYKUYAHMFS-PDGQHHTCSA-N	320.392	3.941	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccccc2Cl)n1	269587461	NXPWCVGIGROMEO-UHFFFAOYSA-N	306.797	3.655	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1cccc(NC(C)=O)c1	294068303	ZRQAUMBUHSYMTF-AWEZNQCLSA-N	305.422	3.695	50	20	DHGD	
COc1cc(/C=C(/C#N)c2cnc3ccccc3n2)cc(OC)c1	588581041	ZWRGCXDGOOHYNO-AUWJEWJLSA-N	317.348	3.711	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)CNc1ccccc1	727253671	GCCGWMQWACOBFL-UHFFFAOYSA-N	309.413	3.614	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1	730464048	DRGKVRNBPPRZNP-QINSGFPZSA-N	319.364	3.652	50	20	DHGD	
CC(C)C[C@H](C(=O)NNC(=O)CC1CCCC1)c1ccccc1	740925405	MYXCTUXWQXZKJC-KRWDZBQOSA-N	316.445	3.544	50	20	DHGD	
COc1cc(OC)c(NC(=O)NN=C(C)C(C)C)cc1Cl	741770270	ATJWOAHORBDUSQ-UHFFFAOYSA-N	313.785	3.511	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)[C@H](C)c1nc2ccccc2s1	748778228	GWDZMYMZGGFRIB-NSHDSACASA-N	324.409	3.601	50	20	DHGD	
O=C(CCCCCc1ccc(O)cc1)NNc1ccccc1F	749267919	VMLKMTFWEZZNHJ-UHFFFAOYSA-N	316.376	3.778	50	20	DHGD	
Cc1ccnc(NNC(=O)CCc2ccc(CC(C)C)cc2)c1	752627243	ZVKNQDDIDDQFON-UHFFFAOYSA-N	311.429	3.664	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])CC	764889937	QLUSWVLXHUPKRR-ZVBUZHGDSA-N	309.753	3.604	50	20	DHGD	
Cn1ccc2ccc(NC(=O)[C@H](Br)C(C)(C)C)cc21	767319695	MAFYAVPRZWQPDE-ZDUSSCGKSA-N	323.234	3.926	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2ncccc21	770230976	DUVGVXZOSBXENY-GFCCVEGCSA-N	308.472	3.685	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1coc(C2CC2)n1	777270895	WLJOQZYEHFPTIY-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccn1)c1c(Cl)cccc1Cl	777472273	DJKPQAXDKMGCCD-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2ccccc2Cl)cc1	778932097	OJBVOGHOONKAIK-CYBMUJFWSA-N	302.805	3.970	50	20	DHGD	
CS[C@@H]1CCC[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1	781092274	SVNROLDKZOXKFI-HBNTYKKESA-N	322.312	3.586	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1scnc1C1CC1)c1ccccc1	782231935	YNTFJOOROXDUJO-AWEZNQCLSA-N	313.426	3.664	50	20	DHGD	
C[C@@H](CCc1ccccc1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	784980452	JXRWISPKCHJUPR-VUODPORTSA-N	322.383	3.870	50	20	DHGD	
Cc1ccccc1-c1cnc(COC(=O)/C(C#N)=C/C2CC2)o1	786678258	QCTDVPHAILLYAP-RIYZIHGNSA-N	308.337	3.553	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790100778	RLTKQJOAEBTGTR-LUAWRHEFSA-N	316.307	3.658	50	20	DHGD	
CC[C@@H](C)CC[C@H](O)CC(=O)NNc1cccc2c1CCCC2	793711955	OXSXAAXUUCDOCK-ZBFHGGJFSA-N	318.461	3.586	50	20	DHGD	
Cc1ccc2c(c1)CN(/C(=C/C#N)c1ccc(F)cc1)CCO2	796427792	AJSXIAFJCAEACC-QGMBQPNBSA-N	308.356	3.893	50	20	DHGD	
C#CC[C@H](NC(=O)NNc1c(C)cccc1CC)c1ccccc1	799611275	RUSQBHMMSGNOGI-SFHVURJKSA-N	321.424	3.948	50	20	DHGD	
CCCN(N=Cc1cc(F)ccc1OC)C(=O)OC(C)(C)C	812229360	HDIGJYLUOMMEQE-UHFFFAOYSA-N	310.369	3.815	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1nnc(-c2ccccc2)o1	814815844	ILVACHLLFOFFRK-UHFFFAOYSA-N	312.373	3.589	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(-c2ccccc2Cl)o1	814988124	RYZCWGJAFNZXRX-UHFFFAOYSA-N	302.761	3.850	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCCC1(O)CCC1	817644120	IRCBPMFEGNUAKS-CYBMUJFWSA-N	317.520	3.512	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@H]1c1ccccc1	825855607	XQPLYHOTQKDMBR-UONOGXRCSA-N	315.804	3.762	50	20	DHGD	
Cc1ccc(C(C)C)c(OCCC(=O)NCC(Cl)Cl)c1	837650168	RFPCZTKQVWMOFC-UHFFFAOYSA-N	318.244	3.807	50	20	DHGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1cccc(Cl)n1	853411286	FDHLXBLUICNVMS-NEPJUHHUSA-N	305.809	3.811	50	20	DHGD	
C[C@@H](C=NNC(=O)OCC(F)(F)F)c1cccc(Cl)c1	853429911	RWAXWNKLPBFUJA-QMMMGPOBSA-N	308.687	3.718	50	20	DHGD	
Cc1ccc2c(c1)CN(C(=O)[C@H](Br)C(C)(C)C)CC2	855379936	YSVZUJTZWPIPLD-AWEZNQCLSA-N	324.262	3.689	50	20	DHGD	
Cc1cccc2c(C(=O)NC[C@]3(C)C[C@@H]3Br)coc12	857386172	RGDJGJYUGOVPOG-WFASDCNBSA-N	322.202	3.645	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCOc2cccc(F)c2)c1	918320371	JDKDMGUFBNAJCG-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)Cc2cccc(F)c2)ccc1[N+](=O)[O-]	921001404	VTPRMERSXAKMNF-LBPRGKRZSA-N	317.316	3.827	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2cc(F)ccc2F)c1C	931073982	UVNMHBGGQNEDQA-VIFPVBQESA-N	323.347	3.589	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC2)c1ccccc1	1319113509	UBTZDFYNLFTOGS-CTFRJJSNSA-N	316.404	3.960	50	20	DHGD	
CN(C)[C@@H]1CCCC[C@@H]1NCc1ccc(OCCCCl)cc1	1327574296	WYNIZQFHRMGBSJ-ZWKOTPCHSA-N	324.896	3.657	50	20	DHGD	
CCN(C(=O)CCl)[C@@H](c1ccc(C)cc1)c1cccnc1	1341509778	NHILDSPYQGLRQG-KRWDZBQOSA-N	302.805	3.567	50	20	DHGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1	3616591	FMXCMXFZWOCASF-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
N#C/C(=C/c1csnn1)C(=O)c1cc(Cl)cc(Cl)c1	49302432	PZHBEQIPJUOXSO-BAQGIRSFSA-N	310.165	3.635	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1	127776705	JJPNVFDIUZNPOX-VXGBXAGGSA-N	304.390	3.751	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1cccnc1Cl	128313439	DATJYCSTVGTTEP-NSHDSACASA-N	321.833	3.500	50	20	DHGD	
Cc1cc(C(=O)NNc2ccnc3ccccc23)cc(C)c1F	153384114	WSHYMQUPBIUFJV-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cc2cc(F)ccc2s1	176244740	OEDMNYSYYOEKGF-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
O=C(Nc1cccc(S(F)(F)(F)(F)F)c1)c1c[nH]nn1	183983907	RCGVSXYRJUHLMG-UHFFFAOYSA-N	314.239	3.714	50	20	DHGD	
Cc1ccnc(NNC(=O)CCCCCc2ccc(F)cc2)c1	188394901	JSHOZYFGTATRAI-UHFFFAOYSA-N	315.392	3.775	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)C)c(OC(F)F)cc1C	255540208	OGEPMPDOHKBFMJ-AUWJEWJLSA-N	322.355	3.584	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccnn2C(C)C)c(C)c1	280863078	CIHNSBVWKSFPDL-MHWRWJLKSA-N	322.412	3.935	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cc(C#N)cs1)c1ccccc1	490700429	VKDHBLAVKUXTAC-FVLHSZHDSA-N	321.405	3.794	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)Nc1ccccc1	728592670	BAZBUNKBXUBPFO-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
O=C(NN=Cc1ccccc1OCc1ccccc1)C1CCC1	731934355	XBVLBDTVJMKJAQ-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cc(C(F)(F)F)ccc1F	733201616	WKYYZSREYZYVFL-UHFFFAOYSA-N	306.259	3.703	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1sccc1C	733744806	RXLGSKJTKIXERH-UHFFFAOYSA-N	308.790	3.570	50	20	DHGD	
O=C(NCC1(c2ccccc2)CCCC1)NNc1ccccc1	734264158	AMPUBDLEADORMD-UHFFFAOYSA-N	309.413	3.825	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cncc(F)c1	737430651	XLXLQHWPDLPYHO-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccc(SCC(F)(F)F)cc1	741757184	VCFXYRACDVCHQY-UHFFFAOYSA-N	318.364	3.837	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cnc(C3CC3)s2)c(C)c1	743761577	KAJHXEMZYRLONV-UHFFFAOYSA-N	301.415	3.703	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C(C)CCC=C(C)C	749156750	NHLIRYROJPSOHH-UHFFFAOYSA-N	318.417	3.703	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@@H]1CCCC(C)(C)C1	752727847	UCGBHNAVGNXNBJ-CQSZACIVSA-N	302.418	3.556	50	20	DHGD	
C[C@@H](CC=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	755525383	DPNVJXLHYDRNJI-HNNXBMFYSA-N	309.413	3.662	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc(Br)c1)C(C)C	763555925	HABHNRQGPRAFDL-CYBMUJFWSA-N	313.239	3.965	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2Cl)c2[nH]ncc12	770027324	NLULTKUUKPVPQD-UHFFFAOYSA-N	315.764	3.673	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1coc2cc(F)ccc12	771713586	JCXNECZFBMQZMR-UHFFFAOYSA-N	316.307	3.705	50	20	DHGD	
Cc1cc(Br)ccc1COC(=O)/C(C#N)=C/C1CC1	786678219	PORQUVFUDWJSOF-NTUHNPAUSA-N	320.186	3.661	50	20	DHGD	
O=C(NCCC(F)(F)F)NNc1cc(Cl)cc(Cl)c1	790404002	CGFSHKSCFLKTDM-UHFFFAOYSA-N	316.110	3.572	50	20	DHGD	
Cc1cccnc1NNC(=O)C1(Cc2ccc(Cl)cc2)CC1	791221635	WYLKSVZRWKMYJF-UHFFFAOYSA-N	315.804	3.509	50	20	DHGD	
Cc1ccc(-c2ccc(C)c(NC(=O)NNc3ncccn3)c2)o1	797655202	DQKYZNIGRZTHGU-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
COC(=O)NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	799465394	HIFOLJXTMPZLSH-SNVBAGLBSA-N	300.280	3.685	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCCCCCC(C)=O	799757604	ZTNZCSAOIHNJAH-UHFFFAOYSA-N	304.434	3.930	50	20	DHGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCC(Cl)Cl)c1	808131761	UFJKSCXNMSULSJ-LLVKDONJSA-N	318.244	3.806	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)N(C)CC(Cl)Cl	808247831	RHNZBKGVXJFXHF-SNVBAGLBSA-N	306.208	3.657	50	20	DHGD	
CC[C@@H](C=NNC(=O)Cc1ccccc1OC)c1ccccc1	814812682	IMIRVAUHUYMGAC-HNNXBMFYSA-N	310.397	3.534	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2c(C)oc3ccccc23)cc1	814998308	DJNBQKDPBHGUMD-UHFFFAOYSA-N	323.352	3.905	50	20	DHGD	
Cc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)ccc1C#N	815004818	CMKHTGZKMNMVOD-UHFFFAOYSA-N	312.760	3.676	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817011616	BQAGOUBHEGALMN-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)NCc1ccc(Cl)cc1	841627141	XVDXTNYGTMKQJI-UHFFFAOYSA-N	306.797	3.599	50	20	DHGD	
CCCN(CCC)c1ccc(NC(=O)/C(C#N)=C\OCC)cc1	846481070	IFAGFBQCCZIIFO-PFONDFGASA-N	315.417	3.695	50	20	DHGD	
O=C(NNc1ncc(Cl)cn1)Nc1cccc(C2CCC2)c1	856869469	IRAOBQUUDVYIBO-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
C[C@H](NNC(=O)C=C1CCC(C(C)(C)C)CC1)C(F)(F)F	862315064	PPZNUAXBRPXYQQ-NUHJPDEHSA-N	306.372	3.721	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(SC(C)C)cc2)n1	862523975	QFMUTTRLGGOBRT-UHFFFAOYSA-N	301.415	3.647	50	20	DHGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC(C)C)c2C)c1	864722709	LSAPMBDNCRTIDR-WOJGMQOQSA-N	321.424	3.834	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(F)cc1Cl)c1cccnc1	885137242	QMCFVHMLYKZGHO-OAHLLOKOSA-N	321.783	3.757	50	20	DHGD	
CCO[C@@H](C)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	915273394	HEPLSOZCWUATPV-LURJTMIESA-N	311.596	3.515	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCCC[C@H]3C)n[nH]2)cc1	915966969	BFXVSHFBATYQKD-CYBMUJFWSA-N	310.401	3.681	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C[C@H]2CC=CCC2)c1C	916336464	GFLSUDIKDMYADT-HOTGVXAUSA-N	300.402	3.529	50	20	DHGD	
O=C(NN=Cc1ccccc1OC1CCCC1)c1ccccc1	920357577	UQIWTTMQBWYBII-UHFFFAOYSA-N	308.381	3.772	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1coc2c1C(=O)CCC2	928337885	WHXPSPGRGHMZNK-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
CC(C)(C)c1ccc(C2(C(=O)NNc3ccccn3)CC2)cc1	1116496604	MBUCKXXNOLSONC-UHFFFAOYSA-N	309.413	3.554	50	20	DHGD	
O=C(CCl)Nc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1	1319921333	DAZJLJQUDWVUFW-UHFFFAOYSA-N	303.724	3.546	50	20	DHGD	
Cc1ccc(CN(CC2CC2)C(=O)C2CCC(Cl)CC2)cn1	1348747591	UJOPGMSSOLOTPW-UHFFFAOYSA-N	320.864	3.926	50	20	DHGD	
CC(C)CC(CC(C)C)C(=O)NNc1cccc(C(=O)O)c1F	1603769557	NNRHJUBZGCLSSC-UHFFFAOYSA-N	324.396	3.675	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccc(Cl)cc1	6225365	MTWHWIIJBISUTB-UHFFFAOYSA-N	302.805	3.882	50	20	DHGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CC2CCCCC2)c1	6572973	LJDNKLJPSFCKOU-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1)S(=O)(=O)c1ccc(Cl)cc1	33475985	JRTCDUSXQGANIV-DHDCSXOGSA-N	321.760	3.817	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1ccnc2ccccc12	106923738	QCIQKDXOPAAOPE-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc(F)nc1	135014067	LOBVXXBSSQEYBE-LLVKDONJSA-N	300.424	3.873	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@@H](C)c2ccccc2F)c1	156003719	MAXAULQRQGDULQ-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCc1cccc(-c2cccc(C)c2)c1	159346960	ZYPMVXMXOBRXEN-RGEXLXHISA-N	320.392	3.722	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	186903671	QKIDFTCHJDASCW-PKNBQFBNSA-N	321.302	3.647	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)NNc2cccc(Cl)c2)c1	193447548	HBXBKAUYMUKTAL-LLVKDONJSA-N	304.777	3.595	50	20	DHGD	
C[C@H](Cc1cccs1)NC(=O)NNc1ccccc1Cl	193796669	GZGJNMMYNLTKPQ-SNVBAGLBSA-N	309.822	3.659	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2sccc2Cl)c1	195222123	LXJQJPUVLMEUOA-YFHOEESVSA-N	318.785	3.956	50	20	DHGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1ccc(C)o1	254501342	QUCWYRZWOUQJFK-UHFFFAOYSA-N	322.364	3.660	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc2c(O)nccc2c1	285803397	VAEGGEZNWZRTLH-IUODEOHRSA-N	313.401	3.600	50	20	DHGD	
Cc1ccc(-c2nnc([C@@H](C)N3CC=C(C#N)CC3)o2)cc1C	368063363	QUVWXLFHMCAUBM-CQSZACIVSA-N	308.385	3.570	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	588431480	BAAHXVVOWABCDX-XNTDXEJSSA-N	322.339	3.964	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cnn(-c2ccccc2)c1	733077203	LVWZOVOIAIMMDT-CQSZACIVSA-N	312.417	3.804	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccc(Cl)nc1	743818331	SXBBBPXOLDHVEC-CYBMUJFWSA-N	321.833	3.749	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1ccc2c(c1)CCCC2	747051206	NATSEXUOPWYLGH-UHFFFAOYSA-N	317.392	3.591	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C#N)cc1)c1ccc(CC)cc1	747052586	HNAXLEBITJYIHL-UHFFFAOYSA-N	305.381	3.665	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CC1(Cl)Cl	748510616	HYEOHXJOXYORRZ-LURJTMIESA-N	313.999	3.630	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H]2c2ccc(F)cc2)o1	752172941	VCDOODTVZRUPFS-AWEZNQCLSA-N	300.333	3.781	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccccc2C#N)c1C	755572282	MQJQXAPGHKALEV-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1nc(C(C)C)n2ccccc12	755627007	QEHLPCKITJFSMS-SDNWHVSQSA-N	311.385	3.708	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2ccccc2Cl)ccc1F	757140647	BDMSMKASDDAAHH-UHFFFAOYSA-N	320.751	3.829	50	20	DHGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1cccc(C#N)c1	768209605	RTHVWGAICMMZPU-GWCFXTLKSA-N	323.234	3.545	50	20	DHGD	
CCC(CC)(CNC(=O)NNc1c(C)cccc1F)SC	771332916	ZXABOBWQJRLLFY-UHFFFAOYSA-N	313.442	3.682	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H](F)Cc1ccccc1	778392899	VNWZQXUXMNHBQG-CQSZACIVSA-N	310.731	3.503	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1cc(Cl)ccn1	778447444	VGZFCKVWNUDHDY-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2c(C)cc(C)cc2C)CCO1	782016622	HPABXNKMUYWBFD-HZPDHXFCSA-N	304.434	3.650	50	20	DHGD	
CC[C@H]1CCC[C@H](C=NNC(=O)c2c(C)nc3ccccn23)C1	783798135	YTMAYNGRSPUZIY-GJZGRUSLSA-N	312.417	3.575	50	20	DHGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)c1cccc(C#N)c1	784732350	GLNQFOIWFMBOSP-GXFFZTMASA-N	324.218	3.972	50	20	DHGD	
C[C@H](CC1CCCCC1)NC(=O)NNc1cccc(C#N)c1	787375643	DMQLPGFTDUERPJ-CYBMUJFWSA-N	300.406	3.543	50	20	DHGD	
COC1(C=NNC(=O)Cc2ccc3ccccc3c2)CCCCC1	790158053	RXWVUSYNZHSRID-UHFFFAOYSA-N	324.424	3.834	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1cnc2ccccc2c1	792335561	OVFUFFGKUXVBDQ-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@H]1c1cccc(OC)c1	799755317	BXUBEDTUBWBXPS-ZWKOTPCHSA-N	324.424	3.813	50	20	DHGD	
CC(C)CCC(=NNC(=O)c1ccc(O)c(Cl)c1)C1CC1	802711545	WYFKTRAVYNFTNL-UHFFFAOYSA-N	308.809	3.978	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)CC1CCCC1	805385793	VXTQTLPPWXCEML-LBPRGKRZSA-N	305.378	3.563	50	20	DHGD	
CC[C@H](C=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	814732254	FJOCYGWHJBSXFQ-OAHLLOKOSA-N	309.413	3.662	50	20	DHGD	
CCC[C@@H](C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816703225	VBXIPNPIZCWFIQ-SECBINFHSA-N	304.312	3.593	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2ccc(F)cc2s1	817008652	BEGNWRCDUMQBAA-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	827515612	BOMZWHFUYYJTMB-HZMBPMFUSA-N	316.323	3.855	50	20	DHGD	
N#C/C(=C\c1c[nH]c(C(=O)O)c1)c1nc2cc(F)ccc2s1	833064847	XCLZXXAIDATPTP-YCRREMRBSA-N	313.313	3.526	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cncnc1C1CC1	836789957	XVEDEIVUFDVERQ-UHFFFAOYSA-N	310.401	3.543	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)C2CC(C)(C)C2)cc1	838147491	ZUGGHRSRMCJFBX-GDNBJRDFSA-N	312.413	3.639	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	848081250	PETBOCZTFYVHLX-YUMQZZPRSA-N	306.155	3.617	50	20	DHGD	
CCCCC[C@@H](C(=O)NNCC(F)(F)C(F)(F)F)C(C)C	863096628	PGKHMZZSUMCSGZ-SNVBAGLBSA-N	318.330	3.657	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)F)cc(C(F)(F)F)c1	863190591	BVUNVUOGRLWVCI-WMZJFQQLSA-N	315.266	3.938	50	20	DHGD	
Cc1ccc(NC(=O)[C@]2(C)C[C@@H]2Br)c(Cl)c1	905047089	DYRALYFPGWLRBU-CMPLNLGQSA-N	302.599	3.760	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NNc1ccc(C)cc1	912596767	WUWVQVCWDVEGLY-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccc(N)cc3)o2)cc1	912777390	BXBQTBVQLCJQAJ-UHFFFAOYSA-N	319.364	3.601	50	20	DHGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1	916131657	LZQBYOFUYBPSFT-ZROIWOOFSA-N	318.292	3.709	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)c2ccc(CC)cc2)c1	917542379	VGWBBMFTSIIRAJ-UHFFFAOYSA-N	310.397	3.802	50	20	DHGD	
Cc1csc(CCCC(=O)NNc2ccc(Cl)cc2C)n1	928337169	MFUKVURIENCYJV-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
O=C(CCNc1ccccc1)NNc1ccc(C(F)(F)F)cc1	1116347769	ZBVJOIKAMLKQIC-UHFFFAOYSA-N	323.318	3.651	50	20	DHGD	
CC1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCCCCC1	1342062848	CNZUGBLBDMDPLC-UHFFFAOYSA-N	304.438	3.578	50	20	DHGD	
CC[C@](C)(NC(=O)C1CCC(Cl)CC1)c1nccs1	1346487631	KELMRKZHWBOXAS-MGULZYLOSA-N	300.855	3.682	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](C2CCOCC2)C1	1347354429	YGILUHPPTJWLHY-KRWDZBQOSA-N	321.848	3.704	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3cccnc3)o2)cc1	1348871496	PZOQGSRMZRZSMS-XNTDXEJSSA-N	318.336	3.594	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(C(=O)O)s1	1607841550	NGKBGWRQWLMJNQ-UHFFFAOYSA-N	318.398	3.635	50	20	DHGD	
O=C(COc1cc(Cl)ccc1Cl)NNc1ccccc1	73125661	WUKVSHKOMCAXTM-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
O=C(NNc1ccccc1Cl)C1(c2ccccc2)CCC1	112497246	KYSLSENLBCZSSX-UHFFFAOYSA-N	300.789	3.905	50	20	DHGD	
O=C(Cc1cccc(F)c1)NNc1ccc(C(F)(F)F)cc1	153657003	JXAKQOPFJAQPLN-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2csc(CC(C)C)n2)c1	158649140	DCONAFBSUPNMDY-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cn1	171806257	QCKSNJFQHHWDBJ-KGVSQERTSA-N	320.179	4.000	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC(C)(c1ccccc1)c1ccccc1	178964680	UGVWEWPBVHWYCD-FOCLMDBBSA-N	320.392	3.510	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccnc1C)c1ccccc1	188581318	ONNPGJUNSZKTSQ-FSEPTYSPSA-N	305.381	3.565	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(C#N)c1	208305628	AWVMWDXZTDOCBQ-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)c1ccccc1Cl	254703030	LVQFLXDTNBWCLE-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1	492296748	PNTKIZLLKXKPOF-QPJJXVBHSA-N	309.344	3.772	50	20	DHGD	
COC(=O)N(C)N=C(C)c1csc(-c2csc(C)n2)c1	495809160	INFMBWKUDQXVEI-UHFFFAOYSA-N	309.416	3.602	50	20	DHGD	
CCC(C)=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	730557704	OJIUMWDCBLCANP-UHFFFAOYSA-N	317.414	3.522	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1C	731155167	BGHRMMBHSRHQQZ-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
CCC(C)(C)C(=O)NNc1ccc(Br)cc1Cl	733808480	TZQIQYBIGSFFPH-UHFFFAOYSA-N	319.630	3.982	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1ccc(SC(F)F)cc1	734976762	NKYPMDMFOPJRGU-UHFFFAOYSA-N	321.352	3.550	50	20	DHGD	
CC[C@@H](NNC(=O)C(C)(C)c1ccccc1)c1ccc(F)cc1	738422352	BIHXERHTYGQWPL-QGZVFWFLSA-N	314.404	3.875	50	20	DHGD	
CCOc1cccc(C=NNC(=O)c2ccc(Cl)cc2F)c1	747643505	JMPAVPQYWFUZIU-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)nc1)c1nc(-c2ccccc2)no1	748999341	RDLODUMATQTCLQ-MDWZMJQESA-N	308.728	3.849	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(CSC(F)F)o1	749449531	HOBIKGXQEBKFHG-UHFFFAOYSA-N	316.373	3.766	50	20	DHGD	
O=C(CC1CCCC1)NN=C1CCSc2ccc(F)cc21	749450557	XUYNIMXOQIQMHO-UHFFFAOYSA-N	306.406	3.722	50	20	DHGD	
C=CCN(C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C)C1CC1	754417172	QJRVNNKDQAHXHD-SFQUDFHCSA-N	311.429	3.599	50	20	DHGD	
Cn1nc(-c2ccccc2)c(/C=C(/C#N)c2ccncn2)c1Cl	758911703	KFODUDFUUUTLOZ-LCYFTJDESA-N	321.771	3.595	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(C#N)c(C)c2)n1	766290395	QTFURSNBTGTKRO-VGOFMYFVSA-N	323.377	3.564	50	20	DHGD	
COc1ccccc1C(=O)NN=C1C[C@@H](c2ccccc2)C1(C)C	768484267	GPXWIYWDAQAETM-INIZCTEOSA-N	322.408	3.995	50	20	DHGD	
CCCCOc1ccccc1NC(=O)NNc1cccc(C#N)c1	769976222	LIBFLJQXVZWCPK-UHFFFAOYSA-N	324.384	3.886	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)CCC1=O	775463821	BSKLVPPNGQJGSN-HOTGVXAUSA-N	322.408	3.861	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1CC[C@H](C)C1	776343302	SNXFEHJDHKQDNZ-STQMWFEESA-N	319.474	3.564	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)C1CCSCC1	777422596	IHIFXVIVPZAVJE-UHFFFAOYSA-N	320.502	3.838	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CC[C@H](Cc2ccccc2)C1	783022568	GJISSCQHJIEWDJ-AEFFLSMTSA-N	309.413	3.724	50	20	DHGD	
CCc1c(C(=O)NNc2ccccc2)cnn1C(CC)CC	790806861	MOMKNMWSJJLHTR-UHFFFAOYSA-N	300.406	3.564	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccoc1	798229883	IELQCFPHKOOGNO-VZUCSPMQSA-N	302.673	3.631	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccc(Cl)s1	801304773	PAIYYXQGQSCNIZ-UHFFFAOYSA-N	308.834	3.958	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H]1CCC[C@@H](C)C1	805374752	QHHRBVSVHPUDQE-DGCLKSJQSA-N	305.378	3.563	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC2(CCOCC2)CC1	808757731	RTFABQJPBZDCGG-UHFFFAOYSA-N	313.558	3.901	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1ccc(-c2ccccc2)nn1	826782975	PILRITBBPOKIKE-CQSZACIVSA-N	312.417	3.659	50	20	DHGD	
Cc1cccc2sc(NNC(=O)C3(C#N)CCCCC3)nc12	828362322	HFNJTTWRJORDNZ-UHFFFAOYSA-N	314.414	3.522	50	20	DHGD	
CCc1nc2ccccc2c(C(=O)NCC(Cl)Cl)c1C	837645644	JVLIHCNBTBAOAH-UHFFFAOYSA-N	311.212	3.639	50	20	DHGD	
C[C@@]1(COC(=O)/C(C#N)=C/c2ccccc2)CC1(Cl)Cl	837677657	CLPJJSFCPADSGM-GMMCIKNFSA-N	310.180	3.721	50	20	DHGD	
N#C/C(=C\c1ccc(C2CC2)cc1)c1nnc2n1CCCCC2	840716217	UTJGWOBRKMZLKM-SFQUDFHCSA-N	304.397	3.946	50	20	DHGD	
CS[C@H](C)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379162	LKSGXKXFTWFHJU-ZCFIWIBFSA-N	312.744	3.553	50	20	DHGD	
CSC[C@H](C)C(=O)NNc1ccccc1Cc1ccccc1	846465043	XLLWDTAUQGEVKU-AWEZNQCLSA-N	314.454	3.720	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OCCC(C)C)c(F)c1	848346548	DJRZXZMIJCTBER-QBFSEMIESA-N	320.364	3.633	50	20	DHGD	
COCC1(NCc2ccc(OCCCCl)cc2)CCCC1	850345070	IKDKGJHPFSDRIP-UHFFFAOYSA-N	311.853	3.743	50	20	DHGD	
CC(C)Cn1ccc2c(C(=O)NCCCSC#N)cccc21	854359045	CDKASTCTHVBRLO-UHFFFAOYSA-N	315.442	3.631	50	20	DHGD	
C[C@H](NNC(=O)c1ccc(C2CCCCC2)cc1)C(F)(F)F	862305473	OFUDHFMZZNJACB-NSHDSACASA-N	314.351	3.920	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(COC)c(F)c1	868059226	YTOZWCRUQVHLJO-UHFFFAOYSA-N	316.376	3.600	50	20	DHGD	
C[C@]1(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C[C@@H]1Br	907214703	GPZOTJOAISCEES-ZFWWWQNUSA-N	319.202	3.794	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)o1	916353475	NSKXRKALIMQGFO-SNVBAGLBSA-N	302.399	3.538	50	20	DHGD	
N#C/C(C(=O)c1c[nH]c2ccccc12)=C1\COc2ccc(F)cc21	918154681	PZKPBQKQPSNKFG-PEZBUJJGSA-N	318.307	3.859	50	20	DHGD	
COc1cccc([C@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c1	919684480	QBGOBQUKPXDOOQ-LBPRGKRZSA-N	315.325	3.621	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(Cl)cc2C)o1	928336991	GSDKYDLMZWQUBC-UHFFFAOYSA-N	307.781	3.654	50	20	DHGD	
CCc1ncc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	930999895	JKJCMEIZFPUCKY-ZDUSSCGKSA-N	310.514	3.833	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)cc1	1115814174	DUORWXYEERGSMA-UKRRQHHQSA-N	300.402	3.771	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)cc1	1115814175	DUORWXYEERGSMA-ZFWWWQNUSA-N	300.402	3.771	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1	1116346697	YDIOVQGSZZDGRD-KRWDZBQOSA-N	312.438	3.772	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1321228105	DFZVZJDVXQPZJX-NGWPFTMJSA-N	307.397	3.999	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccccc2Cl)C12CCCC2	1323270125	SCQKWQOQMDLLJL-OAHLLOKOSA-N	320.820	3.795	50	20	DHGD	
CN(Cc1ccccc1N(C)C)C(=O)C1CCC(Cl)CC1	1347595063	BOLJFKMTIQCPAW-UHFFFAOYSA-N	308.853	3.509	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(F)c2)cc1	5712900	HSPIMKQQRXXCES-GXDHUFHOSA-N	310.328	3.770	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NN(C)c1ccccc1	8357895	LSZYSJPTZSNHRF-UHFFFAOYSA-N	306.365	3.630	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cccc2c1OCCO2	54803215	GIICSCZXHCCXLI-UKTHLTGXSA-N	311.362	3.618	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1	98008575	QQXFAIMPCYXKBE-ZDFYXSBBSA-N	312.413	3.687	50	20	DHGD	
O=C(CCC(F)(F)F)Oc1ccc([N+](=O)[O-])c2ccccc12	155255944	DVIQOMMEUOJQIC-UHFFFAOYSA-N	313.231	3.996	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1cc(C)cc(C)c1	158611673	VPJWAZIQKRNMFG-OAHLLOKOSA-N	312.413	3.949	50	20	DHGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1cc(C)cc(C)c1	158628951	BXWMMHCVGPQVAH-INIZCTEOSA-N	316.376	3.743	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)Cc2ccccc2F)c1	159144847	IIMMRIDXLVVCJV-CQSZACIVSA-N	300.377	3.764	50	20	DHGD	
CCO[C@H](C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	175631341	VJLJUTXGFYMDRU-LLVKDONJSA-N	306.431	3.748	50	20	DHGD	
O=C(NNc1ccccn1)Nc1cccc(SC(F)F)c1	180692060	VRRGQVMHSZBHFG-UHFFFAOYSA-N	310.329	3.545	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)c1ccccc1OC(F)F	183408996	JBRSVAKCVTXUMX-JXMROGBWSA-N	314.247	3.543	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1cccnc1-c1ccccc1	190812787	FAOOKMUNMXRPDP-UHFFFAOYSA-N	324.833	3.509	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1sccc1-n1cccc1	193201404	GDZAZTAALUGYEL-UHFFFAOYSA-N	317.801	3.949	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OCCCC)c(OC)c1	213147053	OSBSJLBWKVCJSM-RVDMUPIBSA-N	315.369	3.510	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)c1C	255009676	SMICRSNEUDNNLS-MHWRWJLKSA-N	319.360	3.865	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2c(C)noc2C)c(C)c1	255081470	XCBGBUAUBMMJBH-NVNXTCNLSA-N	309.369	3.762	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCCC[C@H]1C(F)(F)F	274566882	DQQUIVYINPDVAR-GHMZBOCLSA-N	318.314	3.946	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC[C@H]1CCc2ccccc21	588430471	DSHAHMUWJGAWCY-FEEIMYBTSA-N	320.367	3.579	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	726429036	CMEPQMKZQREDDW-OGGBREFQSA-N	307.777	3.879	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(F)c(F)c1F	728714286	RREZUYVGDLALIY-UWVGGRQHSA-N	300.324	3.763	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1	732527022	DVCWCPPYWQLLDL-INIZCTEOSA-N	323.352	3.648	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1ccc(F)nc1	733874850	QZVCQONFOWNFHN-UHFFFAOYSA-N	321.355	3.572	50	20	DHGD	
O=C(NCc1ccccc1C(F)(F)F)NNc1ccccc1	734274316	UYKRIDMCFJMVFA-UHFFFAOYSA-N	309.291	3.532	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)COCc1ccccc1	737432996	CBNLCRQYNCZHPP-UHFFFAOYSA-N	324.424	3.718	50	20	DHGD	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(C)(C)C)cc2)o1	743056798	LYIYYSBUGYMOSQ-SDNWHVSQSA-N	308.381	3.897	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)c(C)c1	743762761	KHLFQCLCJBFPBP-IAGOWNOFSA-N	312.388	3.998	50	20	DHGD	
C[C@H](CNC(=O)NNc1ccccc1Cl)Cc1cccs1	745860640	YWRLQLWXIAOCPR-NSHDSACASA-N	323.849	3.906	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CC12CCCC2	747512110	KPFUPHBXOVIEGP-CYBMUJFWSA-N	315.804	3.912	50	20	DHGD	
CC[C@@H](C)c1ccccc1OCC(=O)NNc1cccc(F)c1	748088246	DPIFYWJFZMAHOE-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
Cc1c(NNC(=O)C[C@H]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-]	748669877	JWFZSRASDBXZOW-YPMHNXCESA-N	305.378	3.563	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NN(C)c1ccccc1	754450751	MGAGMPQMPVIDLA-CYBMUJFWSA-N	302.805	3.686	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccnc(OC(C)C)c2)c(C)c1	760130824	HNZDZCSQKVXAEJ-UHFFFAOYSA-N	313.401	3.551	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc(F)cc1Cl)c1ccccc1	767782452	OLMAZGHYCIVXPP-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	776612711	FCGWRVWEWZLFCN-LYPXWFNGSA-N	320.392	3.813	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)n([C@@H](C)C3CC3)n2)c1	777418288	KDULZAYIMRCXAX-AWEZNQCLSA-N	312.417	3.536	50	20	DHGD	
O=C(CCSc1ccccc1)NNc1ccc2ccccc2n1	777459580	GTZQNNWJUFNYFD-UHFFFAOYSA-N	323.421	3.860	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)C2CCCC2)c(-c2ccccc2)n1	781555444	JIUDCRCVDRWETC-WJDWOHSUSA-N	305.381	3.753	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccnc(C2CC2)c1	783603265	ODCFINCGDJOKRS-UHFFFAOYSA-N	318.380	3.573	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@H](C)C[C@@H]2C)cc1OC	783810980	RBILWJSZNNMMTD-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@@H]1CCCC[C@@H]1CC)c1ccccc1	793483267	QBBHAKHSJCDASZ-BHYGNILZSA-N	316.445	3.544	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@@H](C(C)C)C2)cc1OC	794455034	DGJQJKPARMTPKT-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
O=C(CCc1ccccc1)NN=CCc1cccc(Cl)c1	794906581	UFKLQZDRCQGXDD-UHFFFAOYSA-N	300.789	3.617	50	20	DHGD	
C=C[C@@H](CC(=O)OCC(=C)CBr)c1ccccc1	795565355	DNUOCTQUJGKWHZ-ZDUSSCGKSA-N	309.203	3.841	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1ccc(C)s1	799537129	LEGJXCLNTZERKS-UHFFFAOYSA-N	303.431	3.754	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1sccc1Cl	803116666	NXMPZZFKPLPAJO-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCc2ccc(C#N)cc21)c1ccccc1	811642441	RETUIRBZVMWYCD-QGZVFWFLSA-N	317.392	3.519	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(Cl)cc1F)c1ccccn1	814862225	GCIHNVDWZWKGAL-UHFFFAOYSA-N	319.767	3.808	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1nc(-c2ccccc2)cs1	819843583	PUDQJVQLYRGFPF-UHFFFAOYSA-N	315.225	3.686	50	20	DHGD	
O=C(NN=C1CCCCC1)[C@@H]1CCCO[C@H]1c1ccccc1	844627715	OXVCZNDGNCGKOC-SJORKVTESA-N	300.402	3.591	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccnn3CC3CC3)[nH]c12	849180231	ZZHKTESVBWVSOI-NTEUORMPSA-N	303.369	3.542	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1csc2c1CCCC2	855365168	FOPBNTAVXAZOTE-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2SCC#N)c1	857499387	LJEXLLDBZVBSOY-UHFFFAOYSA-N	311.410	3.676	50	20	DHGD	
FS(F)(F)(F)(F)c1cccc(CNC[C@H]2COCO2)c1	894886399	CORJAZHVBTZLNU-JTQLQIEISA-N	319.295	3.807	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1cccs1	913188060	YOCKPVZLQFXHLG-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1ccc2ccccc2n1	916244495	ZANMNRDWEFOVMF-AFHRBUMFSA-N	301.349	3.664	50	20	DHGD	
Cc1ccc(-c2n[nH]cc2C=NN(C)C(=O)OC(C)(C)C)cc1	920381397	QGZISERNLXNSRJ-UHFFFAOYSA-N	314.389	3.586	50	20	DHGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)OC	921138788	CQAMXCCNAMCGPM-UHFFFAOYSA-N	313.195	3.504	50	20	DHGD	
Cc1ccc(NNC(=O)c2scnc2C(C)C)cc1Cl	1330516255	ANYRHBCYEIVLSI-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CCCO[C@@H]1CCCN(C(=O)c2cccc(CCl)c2)CC1	1335766022	QQKMFBYGTRBREW-MRXNPFEDSA-N	309.837	3.847	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2ccc(F)cc2)c1	53275752	LOTAZIACAVKVOR-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1cncc2ccccc12	106923262	PTCZFBRYHBSWKE-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1OC	111677319	AKRHAFDEFUWBSF-QINSGFPZSA-N	322.364	3.640	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2nc(-c3ccccc3)oc2C)cc1	120300385	AVNOJGGYWXDFNJ-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
COc1cc(C(=O)NNc2cccc3c2CCCC3)ccc1C	120364707	GQENNGWOVFQIMP-UHFFFAOYSA-N	310.397	3.639	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccc(F)c1	122507076	XIIRNYRYUXANEN-JTQLQIEISA-N	324.302	3.674	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2c(Cl)nc(Cl)n2C)sc1C	125433683	XFDSPLVMJVGQLN-YWEYNIOJSA-N	313.213	3.864	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@H]2c2sccc2C)c1	159211086	LAUOLAOCXIRGCT-ZIAGYGMSSA-N	300.427	3.920	50	20	DHGD	
CC(C)(C)Sc1cc(C(=O)NNc2ccc(F)cc2)ccn1	180213469	CJWHUYXOYBKELJ-UHFFFAOYSA-N	319.405	3.868	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccnc2Cl)cc1	181140359	TZEJFEDPUSQZKP-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	255029218	SRJJKOYTYZHFCL-XFFZJAGNSA-N	324.771	3.653	50	20	DHGD	
Cc1cccn2c(/C=C(/C#N)c3cnc4ccccc4n3)cnc12	588580253	DFDGBYMJSNKXQW-ZROIWOOFSA-N	311.348	3.650	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1ccc(Cl)c(Cl)c1O	727648519	INMMQCCHDURFIY-UHFFFAOYSA-N	303.189	3.585	50	20	DHGD	
Cc1c(NNC(=O)Nc2cccc(Cl)c2)cccc1[N+](=O)[O-]	728065096	HJKZQMUHVPOXOL-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1F	733909291	HYDSIDACFBVABQ-AWEZNQCLSA-N	320.408	3.583	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2Cl)oc2c(F)cccc12	734247261	AOLIDNKSNYKJRF-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
CCCCSCCC(=O)NNc1nccc2sccc12	740085581	FTILYTAZCGBBNT-UHFFFAOYSA-N	309.460	3.663	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1[N+](=O)[O-]	741469102	IGIKUMOPNYEMKY-NTUHNPAUSA-N	319.324	3.547	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)[C@H]1CCOC1	741766588	XISKAXQWZCUEFW-KRWDZBQOSA-N	323.396	3.888	50	20	DHGD	
CCC/C=C/C(=O)NNc1c(F)cc(F)cc1Br	742108119	GLINNBGSJQEQLA-SNAWJCMRSA-N	319.149	3.527	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccccc2)c2ccsc2S1	743417687	NFXOXPZUGBCOFR-JTQLQIEISA-N	302.424	3.767	50	20	DHGD	
C[C@H]1CCC[C@H](OCC(=O)NNc2cccc3c2CCCC3)C1	748588836	PHPVFTPRJQHFBY-HOCLYGCPSA-N	316.445	3.604	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCCC[C@H]1N1CCCCC1	748780638	MRMISHYMPLSYDS-GOSISDBHSA-N	313.445	3.509	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)c2cc3ccccc3o2)c1	749817594	KTCCFGMTOKZSBW-UHFFFAOYSA-N	322.364	3.986	50	20	DHGD	
CCCCC[C@H](C(=O)NNC(=O)CCc1ccccc1)C(C)C	755254430	VEOIRLCQGDDGRS-KRWDZBQOSA-N	318.461	3.619	50	20	DHGD	
Cn1cc(C=NNC(=O)CCCc2ccccc2)c2ccccc21	755699428	ZADPWDYSPVOAQE-UHFFFAOYSA-N	319.408	3.651	50	20	DHGD	
Cn1c(/C(C#N)=C/c2ccc(F)c(C#N)c2)nc2ccccc21	756263906	WTOATELWUNULGH-NTEUORMPSA-N	302.312	3.648	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ncccc1C(F)(F)F)C(C)C	764323052	OTEYXUQJXXVSMG-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1c(F)cccc1F	766749970	QSCNAUWUGMGFIQ-NSHDSACASA-N	321.161	3.818	50	20	DHGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)oc1C	767844801	OPWAYVMDCHQZTC-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1C[C@H]1c1ccc(F)cc1	770197952	SAQKFLXQZIYKJI-RYUDHWBXSA-N	322.742	3.865	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)c2cc(SC)ncn2)c1	773175112	CVUZDQRRUSMYRP-ZSOIEALJSA-N	309.394	3.827	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cnc3ccccc3n2)cc1C	775708238	SFBGTBQCBGCPPA-UHFFFAOYSA-N	321.384	3.649	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1ccc(F)cc1	777872556	WRLAHJKGQUESIO-GHXNOFRVSA-N	314.247	3.663	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780604471	MDIRDEVCEFCAPD-UWVGGRQHSA-N	313.323	3.702	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2cc(C)ccc2C)cc1	780656944	NIYRFNVFNVKWAI-UHFFFAOYSA-N	304.340	3.847	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)sn1	785450644	IUZKFITWBJTCND-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
COc1cc(NNC(=O)N[C@H]2CCCC[C@@H]2C)ccc1Cl	788848098	DNNIIXWMXIJQDT-GWCFXTLKSA-N	311.813	3.553	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)c1ccc2ncccc2c1	794885177	OQUMSLLVISAFQB-MHWRWJLKSA-N	300.317	3.730	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@@H](c2cccnc2)C1	799879731	NBEOKLCPXQEYRK-CQSZACIVSA-N	323.396	3.534	50	20	DHGD	
C[C@H]1CC[C@H](C=NNC(=O)c2ccc(Br)s2)C1	800808082	FHYSUCVZKUYFDJ-IUCAKERBSA-N	315.236	3.662	50	20	DHGD	
CC(C)[C@H](C(=O)NCCCSC#N)c1cccc(Cl)c1	808026206	MGCTXJOARIRPKG-AWEZNQCLSA-N	310.850	3.800	50	20	DHGD	
C[C@@H](c1ccccc1)[C@H](CO)NCCO[Si](C)(C)C(C)(C)C	808747475	NPYXEIUGXJENDA-RDJZCZTQSA-N	323.553	3.762	50	20	DHGD	
Cn1ncc(NCc2ccc(OCCCCl)cc2)c1C1CC1	811489481	DDMKCNAAFLJXQN-UHFFFAOYSA-N	319.836	3.917	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ncc(C(C)C)s2)cc1	814744904	CGOVZOZPWHLEKN-UHFFFAOYSA-N	301.415	3.593	50	20	DHGD	
Cn1c(NNC(=O)c2cc3ccccc3s2)nc2ccccc21	816578727	NGPJAYYKFVVLRG-UHFFFAOYSA-N	322.393	3.545	50	20	DHGD	
COC[C@@]1(C)CCN(Cc2ccc(OCCCCl)cc2)C1	824583767	QIJANLABWKVEBF-KRWDZBQOSA-N	311.853	3.553	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@H](C3CCC3)C2)cc1	840574814	WWYOVVIKACYZGJ-BOFQVRIASA-N	324.424	3.641	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)C12CC3CC(CC(C3)C1)C2	841608074	SMCAGJDYIOWORX-UHFFFAOYSA-N	301.434	3.779	50	20	DHGD	
CCc1cccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)c1	844547708	IPXNBCVMEIRWEW-ZROIWOOFSA-N	322.330	3.709	50	20	DHGD	
CC1(C(=O)NNc2ccccc2Cc2ccccc2)CCOCC1	846464646	QMKRBLVNTJJBAJ-UHFFFAOYSA-N	324.424	3.537	50	20	DHGD	
CCSc1ccc(CC(=O)N(C)CC(Cl)Cl)cc1	848082536	MZYGLTFWWTZGMJ-UHFFFAOYSA-N	306.258	3.603	50	20	DHGD	
CSc1ccc(CCCC(=O)N(C)CC(Cl)Cl)cc1	848084564	DGHLVWIPIDVHMO-UHFFFAOYSA-N	320.285	3.993	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=CC1CCSCC1	853287177	RVRKDJUIUNDTJN-UHFFFAOYSA-N	312.438	3.628	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(-c2ccc(F)cc2)s1	863951930	YBYLISGUILSIKY-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2cc(Cl)ccc2C)C1	885126950	JIKCRIXYLKHXSI-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1nc(C)c(C)[nH]1	901418907	SGHSXJDVDFAISS-MHWRWJLKSA-N	322.412	3.697	50	20	DHGD	
Cc1cnccc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583659	YZSFHLYJZHRIKG-AWEZNQCLSA-N	320.509	3.626	50	20	DHGD	
Cc1cc(OC(=O)Cc2cc3ccccc3o2)ccc1[N+](=O)[O-]	919987243	ZPGZPBHRLDRSGO-UHFFFAOYSA-N	311.293	3.798	50	20	DHGD	
Cc1ccccc1NNC(=O)COc1ccccc1C(C)(C)C	921184217	VNVTVBWKVXXLOL-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccnc2N(C)C)c1	1328934801	LEXRAQWCIOZYIR-GZTJUZNOSA-N	305.381	3.554	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1592003585	YSOVQJJKDHSWKH-UHFFFAOYSA-N	322.748	3.512	50	20	DHGD	
COc1ccc(OC)c(NC(=O)NNc2ccccc2Cl)c1	91985317	ZZLXMIXTIFCVKZ-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccccc1[N+](=O)[O-])c1ccccc1	103426373	WKEKAOGGCNJINL-CYBMUJFWSA-N	313.357	3.622	50	20	DHGD	
Cc1cc(C)cc(NC(=O)c2c(C)nn(CCCl)c2C)c1	114112884	ZSDULGQBXIAJTP-UHFFFAOYSA-N	305.809	3.608	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccnc(Cl)c2F)c(C)c1	122908900	JVGBATALHOCHLN-UHFFFAOYSA-N	307.756	3.556	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)C2CCCCC2)ccc1-n1cncn1	130190853	DKWFHGPEGSFPPS-YVLHZVERSA-N	320.396	3.632	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	134192907	OTUYYQLQMCABCR-UHFFFAOYSA-N	307.309	3.505	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1nc2c(s1)CCCCC2	146228777	AKOBJGASJRMEEW-UHFFFAOYSA-N	320.393	3.700	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2ccccc2F)c1	153024273	GYVNWGLWATXXOP-UHFFFAOYSA-N	304.390	3.511	50	20	DHGD	
Cc1ccc(Br)c(C(=O)NNc2ccccc2)c1	159600495	DFWODGBBLABFCB-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
N#C/C(=C\c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1	178864029	ONCRVNDWBXIZBZ-WEVVVXLNSA-N	314.694	3.544	50	20	DHGD	
COc1ccc(NC(=O)NNc2c(C)cccc2F)c(C)c1	184271751	NDSVMVAMEOZUSD-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
CC[C@H](C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	189676185	INEBCDYJCBDBLD-JTQLQIEISA-N	304.312	3.507	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NNc1cccc(Cl)c1	490848086	ZEQRPLNYUVEZCD-WQLSENKSSA-N	315.735	3.529	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CSc2ccccc21	490977157	SJJDWZPCBQBGHZ-WQMJKPAKSA-N	324.380	3.696	50	20	DHGD	
CCc1ccc(CN(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	491086938	VUTJKSCJUQNMLS-PDGQHHTCSA-N	320.392	3.520	50	20	DHGD	
CC(C)(C(=O)NN=C1CCCOc2ccccc21)c1ccccc1	731151065	QRBDRDKETZCASY-UHFFFAOYSA-N	322.408	3.657	50	20	DHGD	
CC(C)(C)Oc1ccc(CNC(=O)NNc2ccccc2)cc1	734271089	CSKNYXSDPJAYOZ-UHFFFAOYSA-N	313.401	3.690	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)cc1	734482478	BUTMERYNAWJCKM-BYNYNQLESA-N	320.392	3.935	50	20	DHGD	
Cc1ccc(CCNC(=O)NNc2c(C)cc(C)cc2C)cc1	734946952	PVLQGOXNHHMNEY-UHFFFAOYSA-N	311.429	3.789	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3csc([N+](=O)[O-])c3)[nH]c12	735619618	OJXRQIJGHYLHNG-WZUFQYTHSA-N	310.338	3.905	50	20	DHGD	
Cc1cc(C(=O)NNc2ncccc2C(F)(F)F)sc1C	740086650	CLJVUBWHTMZZQT-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)NC1CCCCC1	741759076	YKMCTSRPETULHE-UHFFFAOYSA-N	303.337	3.538	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)c2cccc(F)c2)ccc1[N+](=O)[O-]	741888278	MRTAIJCYHZFTEU-LLVKDONJSA-N	303.289	3.751	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)CCC2CCCC2)c(Cl)c1	743825139	UWUNWCNAVXSZMR-UHFFFAOYSA-N	323.824	3.772	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2[nH]c(-c3ccccc3)nc2C)c1	748414386	MIGIAZYFQWRZFU-UHFFFAOYSA-N	320.396	3.759	50	20	DHGD	
CC(C)c1ccc(C(=O)NNC(=O)c2cc3ccccc3o2)cc1	749477559	LWJCNMPXJLJHGP-UHFFFAOYSA-N	322.364	3.631	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCN(c2ccccc2F)CC1	750599572	BREKSAHUNJGAPC-ZDLGFXPLSA-N	307.372	3.512	50	20	DHGD	
Cc1cc(C)cc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	750660141	AJFMQXBMYFROIZ-LICLKQGHSA-N	307.349	3.659	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc(-c2ccccc2)nn1	754467189	GCCCMIZJCQXQDE-CQSZACIVSA-N	312.417	3.659	50	20	DHGD	
O=C(NN=Cc1cnc(C2CC2)s1)c1ccc(Cl)cc1F	761813321	RQDSUTNQDJJZQY-UHFFFAOYSA-N	323.780	3.577	50	20	DHGD	
C[C@@H](Cc1ccsc1)NC(=O)[C@H](Br)C(C)(C)C	767318781	FSEONKXAXFBDQD-ONGXEEELSA-N	318.280	3.605	50	20	DHGD	
CC[C@@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768167669	WDWZASULHAHNOC-NEPJUHHUSA-N	304.272	3.835	50	20	DHGD	
CCC(CC)n1nccc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	769946995	XHSVTVXERKWLFJ-UHFFFAOYSA-N	317.345	3.680	50	20	DHGD	
C[C@H](CBr)CN1CC[C@H](c2ccccc2F)C1	770655071	WEUAUSWKHGZBLA-NEPJUHHUSA-N	300.215	3.646	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2cccc3c2OC(C)(C)C3)ncn1	773170959	GHKXFHZEKWSNLQ-VGOFMYFVSA-N	323.421	3.976	50	20	DHGD	
Cc1ccc(NNC(=O)c2ncsc2-c2ccccc2)cc1	783879689	GVIWDIZSXOJBDX-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCc2ccc(O)c(F)c2)c1	787135024	OQXSUGAXLJZQFA-UHFFFAOYSA-N	316.376	3.614	50	20	DHGD	
N#CCOc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1	790228020	NLOHZEBDGZNKHX-GDNBJRDFSA-N	312.332	3.596	50	20	DHGD	
CSSCCNC(=O)CSCc1ccc(Cl)cc1	791114273	YLGLCHQWYARVPO-UHFFFAOYSA-N	321.920	3.701	50	20	DHGD	
C=C(CBr)COC(=O)C[C@H](C)c1ccccc1F	795490040	YDXOVFSINYYIRD-NSHDSACASA-N	315.182	3.814	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1	797340384	FZBYWMUACGSJQV-KAMYIIQDSA-N	312.369	3.655	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(COc2ccc(Cl)cc2)cs1	806553087	GXMMHYISESEXIH-UKTHLTGXSA-N	305.790	3.589	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	812240760	RABJFNWOJLMXGU-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(F)ccc1Cl	815853032	RYWGXXWWLUHPMR-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(-c3ccccc3)[nH]2)cc1	817885651	IHOUEBKVDIQRRM-UHFFFAOYSA-N	321.380	3.837	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1cc(Cl)nc(Cl)c1	819746855	GTLDYEDKNOJBHL-DTWKUNHWSA-N	302.205	3.658	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1nc(C(F)(F)F)cs1	826799664	MOTRGRDYUIPPII-QMMMGPOBSA-N	309.357	3.677	50	20	DHGD	
Cc1ccc(NNC(=O)CCCC2CCOCC2)c(Cl)c1	836934764	GRXNSEKRLCROPN-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
C[C@@H]1C[C@H](NC(=O)NNc2ccc(Cl)cc2Cl)CS1	840419785	YAXGEKXIUXCPJK-APPZFPTMSA-N	320.245	3.514	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccccc1N(C)C	857083514	XYQQWTPHLNKJRU-GLQYFDAESA-N	311.267	3.577	50	20	DHGD	
CSSCCNC(=O)/C=C/c1ccc(SC)s1	861575526	JMMMASPQEABLTG-HWKANZROSA-N	305.515	3.611	50	20	DHGD	
N#C/C(=C\c1cccnc1Br)C(=O)C1CCCCC1	865222622	YTPYASPEXXSOML-UKTHLTGXSA-N	319.202	3.900	50	20	DHGD	
CC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	865945262	WSCVPLNFFRPIPJ-DZBQEORWSA-N	315.461	3.973	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	916242830	HEYXHTJBCUEXAR-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CC(C)CC(=O)NN=C/C(Br)=C/c1ccccc1	916342598	HTGWESIEAKXCJQ-YNVRKHLUSA-N	309.207	3.571	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2ccc(Br)s2)C1	916357007	VICUUNVROAWUGQ-QMMMGPOBSA-N	315.236	3.807	50	20	DHGD	
CCC1CCC(=NNC(=O)[C@@H](C)CN2CCCCCC2)CC1	916367042	QQZDSEFEUGAISB-VYRBHSGPSA-N	307.482	3.571	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccccc1Cl	1115812935	GKINGCPZDLQFKS-UHXUPSOCSA-N	302.805	3.882	50	20	DHGD	
C[C@@H]1[C@@H](c2ccccc2)c2ccccc2CCN1C(=O)CCl	1319921578	JGGWRBZPRLSYTO-KUHUBIRLSA-N	313.828	3.831	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2)c1C	7164347	RMDWTLQTDKCFPD-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1	14175745	ISKCUCSOKMUBNC-NTEUORMPSA-N	307.740	3.757	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(C(F)(F)F)cc1	118517208	UGNSGZMMTYTNCL-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2OC)cc1	125248887	NWCSEKZFJMRQJZ-LGMDPLHJSA-N	318.376	3.571	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cccc(C(=O)O)c2)ccc1[N+](=O)[O-]	126505242	PWZPNCPUZWDXLC-OQLLNIDSSA-N	308.293	3.666	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1)c1ccc(Br)cc1	128305595	SQAWIXJHGHFSTB-LLVKDONJSA-N	319.202	3.696	50	20	DHGD	
CC(C)(C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1	132525861	IJTYLKZIITXDDC-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)ccc2Br)c1	159616005	LYDNNHJXDCBFDZ-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCCCCCC(=O)NNC(=O)c1c(Cl)cccc1Cl	170813160	XKIQZHXXEHZUJB-UHFFFAOYSA-N	317.216	3.725	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cnn(C(C)C)c2)c(C)c1	171981305	KLTGKQIAHNAEPP-CAOOACKPSA-N	322.412	3.935	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc3ccccc3o2)cc1	172044486	GGOICRZVMNNGIC-BOPFTXTBSA-N	316.360	3.965	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccc(C(F)F)c1	172087115	SRZIDHSSTYHDGN-UHFFFAOYSA-N	316.229	3.798	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177611774	OXXABUZQJIRICI-JXMROGBWSA-N	302.380	3.508	50	20	DHGD	
CC(C)(C)c1cnc(CCC(=O)NNc2ccccc2Cl)o1	282672114	PDJVQCXVGSIWOM-UHFFFAOYSA-N	321.808	3.701	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C)cc1-c1cnn(C)c1	282681530	QGCQUCGTGDMJMI-FSEGOYHTSA-N	307.397	3.918	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1ccc2c(O)nccc2c1	285842902	XUFQCTPHRRYYIZ-UHFFFAOYSA-N	313.401	3.744	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@H]1CCCc2sccc21	362157773	BMAJDTRNMKJGKH-HNNXBMFYSA-N	323.421	3.860	50	20	DHGD	
CC1=CC(=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)CCC1	727257077	TWDQXMRKHQUGON-OAHLLOKOSA-N	300.402	3.673	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(O)c(C)c1	728226092	HOUDCEBKXPAPPG-UHFFFAOYSA-N	310.397	3.564	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@H](c1ccccc1)C1CCC1	729615232	VHSFNKINPQDVST-QGZVFWFLSA-N	313.376	3.993	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)Cc1ccccc1F	731330199	VEBVWMGJLKZVBP-CQSZACIVSA-N	322.424	3.512	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(F)cc1O)c1ccccc1	731930687	HYYORQIGVOPOJV-HNNXBMFYSA-N	314.360	3.565	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(C)ccc2F)n1	734981664	TXIDQGUMUZHLHZ-KPKJPENVSA-N	316.357	3.832	50	20	DHGD	
Cc1cc(C(=O)NNc2ncccc2C(F)(F)F)c(C)s1	740093460	QVSDFKSUZNIDEO-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ncccc1C(F)(F)F	740100830	RHGXYGAXGYUALM-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
CCSc1cc(C(=O)NNc2c(C)cc(C)cc2C)ccn1	743764213	FGWKXGQUYOPLHT-UHFFFAOYSA-N	315.442	3.876	50	20	DHGD	
COc1cccnc1NC(=O)CCCC[C@@H]1CCSS1	749270312	UUXYFVPBRKSBGZ-LLVKDONJSA-N	312.460	3.743	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	749273849	VDBMBGLGOSHSPF-UHFFFAOYSA-N	302.761	3.690	50	20	DHGD	
C[C@@H](CCOc1ccccc1)C(=O)NNc1ccc(Cl)cc1	749274602	UZIUFPMPAUQRLW-ZDUSSCGKSA-N	318.804	3.888	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1coc(-c2ccccc2)n1	749891400	JFMLRHDBJHQAQH-FOWTUZBSSA-N	323.396	3.945	50	20	DHGD	
CC[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752437358	DLAIXMRBUNZGKY-WYRKQZDXSA-N	300.377	3.818	50	20	DHGD	
CC(C)C1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	752475559	OZVVKBHJGHVZEL-WJDWOHSUSA-N	300.377	3.627	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)c1cc2ccccc2o1	754337230	OAIIWBBOUNZVKW-LBPRGKRZSA-N	316.401	3.656	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@@H]2CCc3ccccc32)c1	755504825	LMAVBZFQWCPCEH-KRWDZBQOSA-N	322.408	3.514	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]2C=C[C@H]1C2)Nc1ccc(OC(F)F)cc1	755742001	CQZSPZNNWHYGFE-SRVKXCTJSA-N	321.327	3.608	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(Cl)c3cccnc23)o1	760261003	UQCFQFSVTQYVAN-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cccc21	763920951	NMROJTZIKAZFGS-LZYBPNLTSA-N	309.300	3.661	50	20	DHGD	
COc1ccc(C(=O)OC[C@@H](C)CBr)c(Cl)c1	770367304	CDVBFNYJSGXROZ-QMMMGPOBSA-N	321.598	3.536	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1nc2ccsc2s1	771157251	KVRAIWXAQRPIOM-UHFFFAOYSA-N	322.390	3.954	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCCC[C@H](C)C2)cc1	775169336	HYGWJFHTPYTHOA-ZKMNFCBKSA-N	312.413	3.641	50	20	DHGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	776644608	CHLORQZYCGBKLL-IKBKNKFLSA-N	312.413	3.774	50	20	DHGD	
CN(NC(=O)C1(c2ccc(F)cc2F)CCC1)c1ccccc1	777522476	RJMRBZBLPXSCPL-UHFFFAOYSA-N	316.351	3.554	50	20	DHGD	
COc1ccc2nc(NNC(=O)[C@H](C)C(C)(C)C)c(C)cc2c1	778480664	ITLUUBKPOGHSGR-LBPRGKRZSA-N	315.417	3.677	50	20	DHGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)c2cccc(C#N)c2)C1	780226248	YMOMHFQOMFSMBM-FQEVSTJZSA-N	317.392	3.786	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)[C@@H]1CCCO1	780846247	ZVWHXXSGCLKPMG-CVEARBPZSA-N	319.449	3.568	50	20	DHGD	
CC(C)(C)C1CCC(C=NNC(=O)Cc2ccncc2)CC1	783848029	BOKLQKXNUIZTTK-UHFFFAOYSA-N	301.434	3.579	50	20	DHGD	
C[C@@H]1CCCC[C@H]1C=NNC(=O)Nc1ccc(N(C)C)cc1	783850426	SSMJZMKQPSFKRJ-KGLIPLIRSA-N	302.422	3.686	50	20	DHGD	
CCCC(=NNC(=O)CNc1ccccc1F)c1ccsc1	785448861	BUSCTSKAJCSIMX-UHFFFAOYSA-N	319.405	3.620	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCCC1CCCCC1	786956320	FXAIJZZHEVHLAB-LGMDPLHJSA-N	312.413	3.776	50	20	DHGD	
COc1cc(NNC(=O)NC[C@H](C)C(C)(C)C)ccc1Cl	789023095	SFVVPUOXJGXNRE-JTQLQIEISA-N	313.829	3.657	50	20	DHGD	
CSSCCNC(=O)c1ccc(OC2CCCC2)cc1	791114267	YEPHLOQDSXBPJP-UHFFFAOYSA-N	311.472	3.749	50	20	DHGD	
Cc1csc(C(=O)NNc2ccc(Cl)nc2)c1Cl	792359136	GJSATXVFXYMBKP-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC[C@H]2c2ccc(F)cc2)n1	794565769	TTWDBFCHQRPCPU-HNNXBMFYSA-N	311.360	3.583	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)c1nc2ccccc2n1C(F)F	794698352	JJMORJZJTHMOMR-XFFZJAGNSA-N	313.311	3.538	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	794957962	JQGLZAHHTQZJDK-UHFFFAOYSA-N	323.736	3.722	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1OC	798230574	RXINCNUQXSESLN-OQLLNIDSSA-N	309.321	3.643	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1nccnc1C1CCC1	805471275	FFXZAUJWQFPNTI-UHFFFAOYSA-N	302.422	3.548	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2)c(OC(F)F)c1	806556263	ALFFNNLWGXPZMF-SDQBBNPISA-N	319.263	3.679	50	20	DHGD	
N#C/C(=C\c1cc(F)ncc1F)C(=O)c1c[nH]c2ccccc12	806565424	MVLBVJKPKDOOTC-VZUCSPMQSA-N	309.275	3.631	50	20	DHGD	
CCc1nnc(C)cc1C(=O)NNc1c(C)cccc1C(C)C	812767139	UBEHHBPQMJDGAX-UHFFFAOYSA-N	312.417	3.536	50	20	DHGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1c(C)cccc1C(C)C	813084346	NTJVIKZDIBMBQW-AWEZNQCLSA-N	321.465	3.948	50	20	DHGD	
CC(C)(C)c1cnc(C=NNC(=O)c2ccc(Cl)cc2)s1	814688209	OQJQGCHSTOWYFO-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)CC2CC2)cc1	814988491	IWRBLBNISWKFMY-ZSLZOYEPSA-N	314.429	3.866	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1cccc(Cl)n1	817010989	ASFMDNSBLNFAGM-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	819502481	UXMUQQGQDFKANM-WCBMZHEXSA-N	302.205	3.658	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCO[C@H](C(C)C)C1	821769344	FLZBSSOLMZVSJF-OCCSQVGLSA-N	310.825	3.543	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2cc(Cl)ccc2[N+](=O)[O-])C1	833774055	KRFZIWCYGUNAOZ-SECBINFHSA-N	311.769	3.518	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cccc(O)c1Br	840717898	UYIPJNYJBZODMJ-YRNVUSSQSA-N	308.175	3.677	50	20	DHGD	
CS[C@H](C)CC(=O)NNc1ccccc1Cc1ccccc1	846463314	DKUNWYKERFKANJ-CQSZACIVSA-N	314.454	3.862	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(F)c(F)c1	851892815	OBZSIXLLSLBQLJ-AQUOVQTQSA-N	304.178	3.789	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2ccnc(Cl)c2)s1	855468490	ZAVAKMSPTXJPGM-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC[C@H](c3cccnc3)C2)c1	863156461	BETYFYJMVNJMCD-ZDUSSCGKSA-N	313.426	3.895	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(F)c1Cl)C(=O)[C@@H]1CCCOC1	863189969	JZAXEUBCAZIJEK-ZFZMKPAXSA-N	311.715	3.521	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Cc2cccnc2Cl)cc1	868781237	MWXCENZNNIHTPI-UHFFFAOYSA-N	303.793	3.544	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)[C@H](C)CC)c1C	920016255	VKGOBPNUGUUNHB-VWOREBHZSA-N	315.461	3.973	50	20	DHGD	
CC(C)c1ccc(OCC(=O)NNc2ccc(F)cc2F)cc1	921183828	BHNJGOXKCXHHFL-UHFFFAOYSA-N	320.339	3.610	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	1322975499	LUAKIYXTPWOZSX-MDWZMJQESA-N	305.337	3.650	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCc2ccc(F)cc2)cc1	1337564147	NMYLTDASPZRRRZ-UHFFFAOYSA-N	314.360	3.573	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1c(F)ccnc1Cl	1348140002	KSSQQQCPBJCYMO-UHFFFAOYSA-N	319.767	3.510	50	20	DHGD	
Cc1nc2c(s1)[C@@H](NC(=O)C1CCC(Cl)CC1)CCC2	1349415033	XTVZKRCAYBVRPY-XIVSLSHWSA-N	312.866	3.743	50	20	DHGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)c1cccc([N+](=O)[O-])c1	1350915873	CRVMYIPQSGEJHI-ZBOXLXRLSA-N	310.781	3.570	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)o1	8117463	VHKDHHODUDUJOI-NCEZTRIPSA-N	320.392	3.669	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccnc1	72785284	FIHPGPPYBBGYSW-GXTWGEPZSA-N	310.488	3.973	50	20	DHGD	
COc1ccc(S[C@H](C)C(=O)NNc2cccc(C)c2)cc1	76481029	JKMDSCPLGRETLU-CYBMUJFWSA-N	316.426	3.628	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H](c1ccccc1)C(F)(F)F	114932344	SWHTZOIDAVOELR-ZDUSSCGKSA-N	309.291	3.616	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(Oc2cccnc2)c(C)c1	122294173	QOBDQTFKHGJYAH-SDNWHVSQSA-N	323.352	3.565	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cncc(-c2ccccc2)c1	136889694	QBUAGLOFTZZFJD-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1	150829899	SEYSPJAVJSVMEM-WDEREUQCSA-N	320.314	3.659	50	20	DHGD	
COc1ccc2cccc(CC(=O)NNc3ccc(C)cc3)c2c1	151357625	IUDBJHNGHKIVLE-UHFFFAOYSA-N	320.392	3.843	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)C(=O)NCc1ccccc1	158659423	SPIQSWBWFLHSDH-ZSOIEALJSA-N	314.747	3.702	50	20	DHGD	
COc1sc(/C=C(/C#N)c2ccccn2)cc1Br	160187601	KDTXMOVXDYZZFS-TWGQIWQCSA-N	321.199	3.978	50	20	DHGD	
C[C@@H](O)CC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	176079532	CDJGXSSPNSWVHL-CHWSQXEVSA-N	319.536	3.614	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(C(F)(F)F)c(F)c1	188972092	GPHKSJUGNHJMLK-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(OC(C)(C)C)cc2)cc1	267523469	QSGBSKGXVVSACF-UHFFFAOYSA-N	314.385	3.629	50	20	DHGD	
COc1ccc(C(=O)NNc2c(C)cccc2F)cc1C1CC1	277994654	QEIBNSFHGFTEMS-UHFFFAOYSA-N	314.360	3.777	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3c(c2)CCCC3=O)c1	293406291	OTKWCJFCRDZHMC-UHFFFAOYSA-N	308.381	3.579	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)c3cnc4ccccc4n3)ccc21	588580495	IOUUBWWPWZYDGW-WJDWOHSUSA-N	312.376	3.686	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)C(C)(C)c2ccccc2)o1	731151397	YOWIOZHCTMEBGZ-XJKSGUPXSA-N	310.397	3.831	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)c1cc2c(s1)CCC2	742474262	PXAIPVRZFJFZTJ-GFCCVEGCSA-N	322.474	3.604	50	20	DHGD	
CSCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccccc1	749444716	YVTJTKZZYURGRY-UHFFFAOYSA-N	323.421	3.665	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)c1cc2ccccc2o1	755759422	XWCQQUWJDSCBQG-JKSUJKDBSA-N	304.349	3.952	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	772177362	UYXOUXSKBIFOJW-POHAHGRESA-N	305.305	3.825	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccsc1	773103146	LLHQXMAWUYWLNG-LLVKDONJSA-N	322.817	3.709	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1F	780671852	YGCVZUHIZWZPDZ-IUCAKERBSA-N	306.303	3.970	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccccc2CC#N)cc1	780805881	GRIKJZIRFFQZPJ-UHFFFAOYSA-N	321.424	3.736	50	20	DHGD	
CC(C)c1nn(C)c(Cl)c1/C=C(/C#N)C(=O)C1CCCC1	781552633	BJHQASUUCJOXMD-WQLSENKSSA-N	305.809	3.863	50	20	DHGD	
CCCc1nc(COC(=O)/C(C#N)=C/c2ccccc2)cs1	785346410	AYGHEDLGAGRYIL-NTEUORMPSA-N	312.394	3.746	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1c1ccc(OC)cc1	791440754	UMSLSZYWQQDXER-HNNXBMFYSA-N	310.235	3.783	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(F)c(SC)c1	795574140	IZTQBGFVHBUUHD-UHFFFAOYSA-N	319.195	3.656	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1nc(C(C)C)oc1C	796810651	JGRBRVABMNBZMD-UHFFFAOYSA-N	318.329	3.851	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1occ2c1CCC2	797267320	GBVFVZMDFADZQG-UHFFFAOYSA-N	311.168	3.832	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2ncsc2c1	799755488	LQSYRWMQQYSOHW-UHFFFAOYSA-N	311.410	3.924	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)Oc1ccc(C)cc1	799756355	ZZEUIUDHACITHV-OAHLLOKOSA-N	312.413	3.776	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1c[nH]c2ccccc12	799757566	CHOSNUYDJJIRQP-UHFFFAOYSA-N	307.397	3.725	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)Nc1cccc(Cl)c1	806090493	LPPXJKJCBVNWMO-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
COCCN(CCO[Si](C)(C)C(C)(C)C)Cc1cccnc1	808748904	FTIXWTOKQQSNMV-UHFFFAOYSA-N	324.541	3.552	50	20	DHGD	
COc1ccc(NNC(=O)c2ccccc2C)c(C(F)(F)F)c1	816704060	FEFCPMMLQYRNOH-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
CCOc1ccc(NNC(=O)CO[C@@H]2CCCC[C@@H]2CC)cc1	817885672	JAJDMYLBQFEWIS-WMLDXEAASA-N	320.433	3.514	50	20	DHGD	
Cc1ccc(NNC(=O)c2cn(CC(C)C)nc2C(F)F)cc1	824221427	PDFSXCKYNVQHGN-UHFFFAOYSA-N	322.359	3.542	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1cc(C(F)(F)F)ccn1	832962788	LCEWGIDJLSOJNR-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
CC(C)c1nc(CN(C)CCO[Si](C)(C)C(C)(C)C)no1	844343362	GZVZPOLVZOHELI-UHFFFAOYSA-N	313.518	3.647	50	20	DHGD	
Cc1nc(Cl)c(Cl)cc1C(=O)N(C)CC(Cl)Cl	848082963	FFBPMPJKHLFJRV-UHFFFAOYSA-N	316.015	3.573	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1cc2cccc(CC)c2o1	849250000	OOCAFUAZOQBGCD-GDNBJRDFSA-N	303.383	3.684	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCc2ccncc2)C1	852522213	HMYDVSWYNRXZME-INIZCTEOSA-N	306.526	3.720	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(OCC(C)C)cc2)cc1F	856232029	OXFKIAHOCOJDFU-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
C[C@@H](C(=O)NNc1nc2ccc(Cl)cc2s1)C(F)(F)F	856234449	ZDAFAJCFUALJDB-YFKPBYRVSA-N	323.727	3.591	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857265133	WQERVZUNXZCWRJ-UHFFFAOYSA-N	316.323	3.759	50	20	DHGD	
CC(C)(CC(=O)NNc1ncc(F)cc1F)C1CCCCC1	857533646	HEBYCMSRMDYYNS-UHFFFAOYSA-N	311.376	3.800	50	20	DHGD	
C/C(=C\C(=O)OC[C@@H](CBr)C1CC1)c1ccco1	859736940	JUHKTGGRPQHHBW-OFFHKIPUSA-N	313.191	3.647	50	20	DHGD	
CCC[C@H](OCC)C(=O)NNc1c(Cl)cccc1Cl	860111898	CDFQGRBBYHSYCI-NSHDSACASA-N	305.205	3.642	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)c1	864365986	HXZOWFJPEOHILU-HEUOVEHFSA-N	313.397	3.767	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2cc(Cl)ccc2F)CCO1	871271434	OVYAIDVQEUEHQC-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
CCCCCCCOc1ccc(/C=C(/C#N)C(=O)NC)cc1	915271296	RSOKHWMPXSCJER-SSZFMOIBSA-N	300.402	3.689	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccc(O)cc1	915936389	MLESRNAVUDQINI-UHFFFAOYSA-N	310.397	3.866	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	916583482	GMQVEQSFABHHPX-ZRTFPUAOSA-N	319.836	3.791	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1C	917546779	HPVHJWVIFYRIGE-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H](c1cccnc1)C(C)C	928337331	PLPYRYYUJFZMLA-INIZCTEOSA-N	317.820	3.926	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@H](C)c1c(C)noc1C	928339275	FCUSBIDETFLKFQ-JTQLQIEISA-N	321.808	3.890	50	20	DHGD	
Cc1cc(NNC(=O)[C@@]2(C#N)CC23CCCC3)ccc1Cl	928339683	HSUFZDJQUCOPNG-INIZCTEOSA-N	303.793	3.566	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(F)cc2OC)cc1CC	1118271489	PPHZKJIEUKCQFF-UHFFFAOYSA-N	316.376	3.716	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)cc1Cl	1262353916	QWVRUIPYUYXPJQ-IUODEOHRSA-N	310.825	3.543	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)cc1O	1333197504	CKWPQPURZWJMKS-OAHLLOKOSA-N	308.381	3.754	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(CC(C)C)c2C)cc1Cl	1341459738	JXLCKFUQBSGSBR-UHFFFAOYSA-N	320.824	3.566	50	20	DHGD	
Cc1c(NNC(=O)CC/C=C\c2ccccc2)cccc1C(=O)O	1607553397	RRYBKTVYPZIOFS-YHYXMXQVSA-N	324.380	3.630	50	20	DHGD	
CCC(CC)=NNC(=O)COc1ccc(Cl)cc1Cl	5427719	NFAWOMUHZDZPHV-UHFFFAOYSA-N	303.189	3.664	50	20	DHGD	
N#C/C(=C\c1ccc(Br)cc1)C(=O)c1ccco1	8200340	GPMGSEXSBBYIAO-DHZHZOJOSA-N	302.127	3.832	50	20	DHGD	
CCn1c2ccccc2c2cc(/C=C(\C#N)S(C)(=O)=O)ccc21	8720608	KZNPGZYQTDSTSZ-GXDHUFHOSA-N	324.405	3.723	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccc(C(F)(F)F)cc2)s1)C(N)=O	23389682	SRYYEQIBCOVWRO-JXMROGBWSA-N	322.311	3.826	50	20	DHGD	
CC(C)(C)c1ncc(NC(=O)NNc2ccccc2Cl)cn1	92600251	UADXYJRVYPWVQR-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)sc1C	152907069	IHVPWNKDLDSNGS-UHFFFAOYSA-N	321.349	3.597	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C1	179074511	KXJOHPAKHKPSAV-LLVKDONJSA-N	312.360	3.948	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	180434420	HEOPNFIDZDRGLR-GHXNOFRVSA-N	310.369	3.680	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(Cl)cc1	252637656	XVGLLPXFACOHRS-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
C=C(CBr)CN(C)[C@@H](C)c1sc(CC)nc1C	279742748	PDSKXGSDNKMOSK-NSHDSACASA-N	317.296	3.958	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1c1ccc(COC)o1	279761571	RLFBFLNNYPCZLV-CYBMUJFWSA-N	314.223	3.514	50	20	DHGD	
CCOc1ccc(NNC(=O)c2csc3c2CCCC3)cc1	293791433	AXXKMRLWXJMSPH-UHFFFAOYSA-N	316.426	3.783	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1cc2ccccc2o1	371461834	HCGIFECKSMIXOR-RIYZIHGNSA-N	319.364	3.965	50	20	DHGD	
C[C@H](c1ccc(F)cc1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490875487	IHFOCBINLWLQET-KWWJGWKXSA-N	324.355	3.658	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c[nH]c(C(F)(F)F)c1	491005853	CAWFOFGXKKMTRE-WUXMJOGZSA-N	319.286	3.888	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ncc(-c2cccc(C)c2)s1	491080290	CTYTVNQXAAKBGM-RAXLEYEMSA-N	313.382	3.501	50	20	DHGD	
CCCN(N=Cc1nc(C)n2ccccc12)C(=O)OC(C)(C)C	495808028	CYAVNQVYHCFILE-UHFFFAOYSA-N	316.405	3.624	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cc2ccccc2o1	588429679	GSQKLBBIZMKQLW-DHDCSXOGSA-N	320.323	3.795	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1C	732714651	BNSPNGQZHLBFNL-FOWTUZBSSA-N	312.413	3.702	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(Cl)cn1	735988527	FVALNCCECRYMEE-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNC(=O)c1cccc2ccccc12	741576160	MLEXDAILMDNVIW-ZBFHGGJFSA-N	324.424	3.817	50	20	DHGD	
CCc1ccc(CC(=O)NNc2cccc(C(F)(F)F)c2)cc1	743300934	YZYOXINVAQNOEB-UHFFFAOYSA-N	322.330	3.954	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)[C@@H](C)c1ccccc1	746371268	WFTIZFHBPMLIPB-CQSZACIVSA-N	310.397	3.621	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1C[C@H]1c1ccc(F)cc1	746695372	ITLGOVKMGRZMAE-STQMWFEESA-N	322.742	3.865	50	20	DHGD	
C[C@H](NC(=O)NNc1c(F)cccc1F)[C@@H](C)c1ccccc1	747591435	AVSRNIKNEXRCPH-NEPJUHHUSA-N	319.355	3.783	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@@]12CCc1ccccc12	748302409	MDPYKVDQCCLDDS-RDTXWAMCSA-N	312.800	3.687	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1[C@H](C=C(C)C)C1(C)C	751169720	WHIZFAZDYVMSJS-SWLSCSKDSA-N	319.357	3.747	50	20	DHGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1	751456861	WSQQHXYDLHDGLN-SKTWIKFTSA-N	320.367	3.845	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1	767038401	NBFZHQCCGRXJHF-GRSHGNNSSA-N	313.420	3.640	50	20	DHGD	
O=C(NN=Cc1cc(F)c(F)cc1F)c1cccc(Cl)c1	767761712	RFQNWZCAOGPVTR-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc2ccncc12	768252320	JIZFVUOTIPCZIK-ZDUSSCGKSA-N	321.218	3.983	50	20	DHGD	
CC(C)(C#N)CCCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	768753195	DGQUJLCTKHMJBZ-PTNGSMBKSA-N	312.369	3.562	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc2occc2s1	770376084	VQXJINUTAWMYQK-SSDOTTSWSA-N	303.177	3.682	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c(C(F)(F)F)o1	771422829	XUODHAVUHUYNMY-UHFFFAOYSA-N	320.217	3.642	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(F)nc3)n2)cc1	777465966	LGFAJRNRTKYAEI-ZSOIEALJSA-N	306.300	3.643	50	20	DHGD	
CCCCc1ccc(N(C)S(=O)(=O)CCCCCl)cc1	780807312	MWVNTOPCYYYBCV-UHFFFAOYSA-N	317.882	3.814	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)C(=O)C2CCCC2)c1	781555975	SQEJJWVHDGLCEZ-JYRVWZFOSA-N	321.323	3.963	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccccc1N1C[C@H]2CC[C@H]1C2	790557746	MRDQNMDTNDQJHC-HOCLYGCPSA-N	322.412	3.824	50	20	DHGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)OC(C)(C)C)C1	799103812	HHDOFWSTHPBNGO-CYBMUJFWSA-N	303.406	3.928	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cn(C)c2ccccc12	799757573	ZKAUKBAQHAPSCC-UHFFFAOYSA-N	307.397	3.806	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)C(C)(C)CC)cc1C(=O)OC	800791889	WRSCVOJREJYZQV-DHZHZOJOSA-N	303.358	3.541	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1c[nH]c2ccccc12	800805566	SOOZVVCCNVLCEE-GFCCVEGCSA-N	301.365	3.804	50	20	DHGD	
CSC1(C=NNC(=O)c2ccc(Cl)cc2Cl)CC1	800808381	JVKGPLYLPDNWDN-UHFFFAOYSA-N	303.214	3.605	50	20	DHGD	
CCCN(NC(=O)c1ccc(SC)cc1)C(=O)OC(C)(C)C	804593572	AGMNMMGDPQAAJS-UHFFFAOYSA-N	324.446	3.700	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCC[C@H]2CCCC[C@H]21	806857778	WJARHOSUMNJPLL-RBSFLKMASA-N	324.428	3.679	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc(C2=CCCC2)cc1	810574595	YMOHMXCPPWVCIQ-UHFFFAOYSA-N	323.352	3.919	50	20	DHGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)OC(C)(C)C	814213015	SZLKBWKSGBTWAR-XFZGLGFCSA-N	304.390	3.747	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1ccccc1C(C)C	848402708	GOFXNHSFXKTBKX-UHFFFAOYSA-N	310.397	3.511	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1oc2ccccc2c1Br	848402804	HZNIYRZBOOFTHC-SECBINFHSA-N	323.190	3.692	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccc(Cl)cn2)o1	856095938	WOWZLHFSKMHFSV-ZWNOBZJWSA-N	319.792	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)cc1F	856230353	MZWAZOIPUADNHO-QWHCGFSZSA-N	304.390	3.751	50	20	DHGD	
Cc1ccc2cc(CNC[C@]3(C)C[C@H]3Br)ccc2n1	856810318	XDQIFOSYYLIOOA-CVEARBPZSA-N	319.246	3.806	50	20	DHGD	
N#CC1(CC(=O)NNc2ccc(F)c(Cl)c2)CCCCC1	863083212	ZPYJQQRSAJPOPW-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)C2CC2)c1C	875158157	VRKUMIHUWHJGQP-BGARDKSCSA-N	313.445	3.679	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OC2CCCC2)c1C	875951126	FXBHNWHVSGKNFK-LFIBNONCSA-N	300.402	3.908	50	20	DHGD	
C[C@@H](Cc1cccnc1)NC(=O)CCCC[C@H]1CCSS1	889655974	VMURCDAYLQAKOP-ZFWWWQNUSA-N	324.515	3.843	50	20	DHGD	
C[C@H](Nc1ccccc1S[C@H](Cl)C(F)(F)F)C(=O)O	904199828	MSWQGUFICCLROS-WKEGUHRASA-N	313.728	3.791	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1c(F)cccc1F	915976642	PSZDQCDHTGZBJK-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)Cc1ccccc1Cl	1318814231	ODWCFMFGBVDCAB-UHFFFAOYSA-N	316.788	3.697	50	20	DHGD	
N#C/C(=C\c1ccsc1Cl)c1nc(N)c2ccccc2n1	1320699511	DTAGCEOTZUBKOQ-JXMROGBWSA-N	312.785	3.991	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045844	NXQDTFNKJSKINP-JSGCOSHPSA-N	317.389	3.709	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	8908658	QSJOHEFILBNZCE-UHFFFAOYSA-N	321.716	3.784	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cc(O)ccc2Br)n1	178987928	GZAFYQUBARGTOK-ONNFQVAWSA-N	321.199	3.984	50	20	DHGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)c1nc2ccccc2[nH]1	64359857	SGRRMIIWQPSEIL-XFFZJAGNSA-N	319.755	3.928	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1	68274275	DECSCKFCNQLGCC-VQCBNXJZSA-N	317.348	3.523	50	20	DHGD	
O=C(CCc1ccoc1)NNc1cc(C(F)(F)F)ccc1F	128751300	YVNFEXJCPPYTQJ-UHFFFAOYSA-N	316.254	3.513	50	20	DHGD	
CCC1(C(=O)NNC(=O)CCCc2ccccc2)CCCCC1	185825887	UFDFRFRZFMCQAN-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1	132620099	GOHFNNYJWBQWNR-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
Cc1ncsc1C(=O)NN(Cc1ccccc1)c1ccccc1	48191018	WQJPADMBTUAHLZ-UHFFFAOYSA-N	323.421	3.803	50	20	DHGD	
C[C@@H]1SCCC1=NNC(=O)c1ccc(Cl)cc1Cl	814761917	GAINABHPEVNBFC-ZETCQYMHSA-N	303.214	3.605	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1cc(Cl)nc(Cl)c1	819746854	GTLDYEDKNOJBHL-BDAKNGLRSA-N	302.205	3.658	50	20	DHGD	
CCC(=NNC(=O)[C@H](CC)c1ccccc1)c1ccc(F)cn1	814845866	XWTGHXSGXOAXEE-OAHLLOKOSA-N	313.376	3.645	50	20	DHGD	
CO[C@@H](C)C(C)=NNC(=O)Nc1ccc(Cl)cc1Cl	814996193	UEXJUBIMVOCBDR-QMMMGPOBSA-N	304.177	3.526	50	20	DHGD	
C[C@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@@H](C2CC2)O1	811498373	STPUHVFCBRKXSE-KSSFIOAISA-N	323.864	3.694	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCCC[C@H]1C	819576173	JKUXNZJXIVAINS-GHMZBOCLSA-N	310.829	3.523	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)CCCc2ccccc2)cc1	727689483	QYEARAFEILPBIL-UHFFFAOYSA-N	324.424	3.948	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)Cc2ccoc2)cc1	726545556	PUKIAPZWCAKLAO-GZTJUZNOSA-N	324.380	3.634	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1	491012444	RIHMEMFQCNKKIP-AWEPDKKLSA-N	318.804	3.536	50	20	DHGD	
CCCCCOc1ccc(/C=C(/C#N)S(=O)(=O)CCC)cc1	588555863	XGXZJXVKGHATAU-LGMDPLHJSA-N	321.442	3.945	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(-c2cccs2)c1)C1CCC1	731936361	SNTQWURIRJDMQH-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CC(C)(C)C[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	837166421	KAFXWAWYHCDNSS-CCAPLTMGSA-N	312.413	3.584	50	20	DHGD	
O=C(Cc1ccccc1Cl)NNc1nccc2sccc12	734249485	CAMKMEMRHYPHFC-UHFFFAOYSA-N	317.801	3.636	50	20	DHGD	
CCC[C@H](CNC(=O)CCCC[C@H]1CCSS1)OC	833372313	QDQHTGMRPZNELX-OLZOCXBDSA-N	305.509	3.632	50	20	DHGD	
Cn1ncc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1Cl	834441314	GMKZUWIKSVIVSA-WEVVVXLNSA-N	306.822	3.892	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C2/COc3ccc(F)cc32)c1C	918154312	JSDUHPMNIKNUHH-NXVVXOECSA-N	322.339	3.751	50	20	DHGD	
CCCCSCC(=O)NNc1ccc(C(F)(F)F)cc1	747589916	USTYINLPXWRQPL-UHFFFAOYSA-N	306.353	3.682	50	20	DHGD	
O=C(CNc1ccccc1F)NN=Cc1ccc2ccccc2c1	915920521	UOFAOLUWXYQSLP-UHFFFAOYSA-N	321.355	3.541	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(C[C@H]2CCCO2)CC1	844346688	OUYDOVCVARJYGP-MRXNPFEDSA-N	313.558	3.899	50	20	DHGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1cc(-c2ccccc2)on1	747750905	FXILLWLZCSPLAX-AWEZNQCLSA-N	311.385	3.884	50	20	DHGD	
Cc1c(NNC(=O)c2sccc2C2CC2)cccc1[N+](=O)[O-]	748661178	VCLFWMMZDIMQFH-UHFFFAOYSA-N	317.370	3.599	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917214349	MMNBMLVDXFJVMU-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
Cc1cc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)no1	844347782	NRMKPHBYVXOMCG-HNNXBMFYSA-N	310.514	3.969	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	755761358	BPVSFFVGMALFRZ-CYBMUJFWSA-N	302.418	3.541	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	752475441	JROZEVSANCHYSA-VPZDYAQMSA-N	312.388	3.818	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)c2cccc3ncccc23)s1	758369728	JIKBOAGSQPGQCE-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2cc(F)cc(Cl)c2)C1	855619930	HRSDQKWTAFNTBD-IINYFYTJSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ncsc1C(F)(F)F	764115179	KWMGVRYSBXDWIJ-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Cc1c(C(=O)NNc2cc(Cl)ccc2F)ccn1C(C)C	871270182	LYZDTGGOIWMFQK-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
C[C@@H](CC(=O)OC[C@@H](C)CBr)c1ccc(F)cc1	770371651	BIKPUSXYWRQBQL-QWRGUYRKSA-N	317.198	3.894	50	20	DHGD	
Cc1ccc(C)c(OCCCCC(=O)NCCCSC#N)c1	773594362	SCJYLWIUVZQJSG-UHFFFAOYSA-N	320.458	3.573	50	20	DHGD	
CCc1ccc(N=C2SC[C@H](CC)N2C(=O)CCl)cc1	1116438713	ZFRBSKPUBGCWNR-ZDUSSCGKSA-N	310.850	3.829	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1cnc2ccccc2n1	774792520	YDNPFVCKAYVZCQ-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3cccc(F)c3)cn2c1	789148864	TZPPLTCKBFNQMR-ZSOIEALJSA-N	305.312	3.572	50	20	DHGD	
CN(C)C(=O)NN=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1	789000092	DMHVTDKHEOCOEE-GFCCVEGCSA-N	313.323	3.600	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	784411583	WZNAODFCQNWVCB-UHFFFAOYSA-N	322.796	3.515	50	20	DHGD	
N#C/C(=C\c1c(F)cccc1OC(F)(F)F)c1ccncn1	789148573	RJKRBICCYCWQLV-RMKNXTFCSA-N	309.222	3.578	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)c2c(c1)C[C@@H](C)O2	781554329	MTFDQBDGVFNLET-GGNJANJASA-N	311.381	3.685	50	20	DHGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNc1c(F)cccc1Cl	797555552	FSSBBJKSMJMSNP-QMMMGPOBSA-N	321.730	3.541	50	20	DHGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)[C@H]1CCCOC1	794883052	JIRJDTWWFZHWQS-ZKUGPGMGSA-N	316.209	3.958	50	20	DHGD	
COc1cc(NNC(=O)c2cc3ccccc3o2)ccc1Cl	790178478	XSHBSEHIJPXZDK-UHFFFAOYSA-N	316.744	3.852	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1c(F)ccc(Br)c1F	799891074	KACPIMBCCDIEKV-YVMONPNESA-N	314.129	3.859	50	20	DHGD	
O=C(NN=Cc1ccc2ncccc2c1)c1ccccc1Cl	1317712863	UTURHIQCZYRQQX-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1c1cccc(OC)c1	1321461910	OEGKZHZJQXNTGR-HNNXBMFYSA-N	310.235	3.783	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1cccc2cnccc12	1255666154	SXSPJEOKYADSDC-UHFFFAOYSA-N	321.380	3.536	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C[C@@H]1C	1347922220	RHTVRQKLQVRHPH-MELADBBJSA-N	317.520	3.584	50	20	DHGD	
Cc1oc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)cc1C(=O)O	1600837826	BRQRKPCISHSFEF-YWEYNIOJSA-N	321.741	3.791	50	20	DHGD	
O=C(N[C@H](c1ccccc1)[C@H]1CCOC1)C1CCC(Cl)CC1	1548679821	IYCKXVHHXXLYRA-ODZFXCKXSA-N	321.848	3.678	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(C#N)c2)cc1	14177592	QZYMEEFYMSHJRQ-LFIBNONCSA-N	317.348	3.503	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1ccc(F)cc1F	158145789	MLTWQKMCJZYLRK-QWRGUYRKSA-N	308.353	3.582	50	20	DHGD	
CC1=C(C(=O)NNc2c(Cl)cccc2Cl)CCCO1	158361956	NAMHSQCHFXTZNQ-UHFFFAOYSA-N	301.173	3.521	50	20	DHGD	
Cc1cc(OC(=O)c2coc(-c3ccccc3)n2)ccc1[N+](=O)[O-]	151379271	ORUJQVRYKLEODD-UHFFFAOYSA-N	324.292	3.777	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	154300111	OWBLCLAYNJDFPP-BOPFTXTBSA-N	304.349	3.743	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1C	3616294	LHXGVGLFJALRNN-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc3ccccc3o2)cc1	33723061	QSEAQDXDMRQSLO-UVTDQMKNSA-N	304.305	3.679	50	20	DHGD	
Cc1cccc(NNC(=O)CCC(=O)c2ccc3c(c2)CCC3)c1	73569406	WXLFIHPTAXMPNP-UHFFFAOYSA-N	322.408	3.590	50	20	DHGD	
CSCc1ccc(NC(=O)NNc2ccccc2F)cc1	92603286	BEWUUKRAYAXZOL-UHFFFAOYSA-N	305.378	3.837	50	20	DHGD	
CCN(Cc1ccc(C(=O)NNc2ccccc2)cc1)C(C)C	111551832	OODDESIBKNAUQZ-UHFFFAOYSA-N	311.429	3.674	50	20	DHGD	
CCn1nccc1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	152163591	IOMXOUNJHOGZBS-QINSGFPZSA-N	307.397	3.990	50	20	DHGD	
CCC1(C(=O)NNc2ccccc2Br)CCCC1	153596933	JSNSTSCLNQFHPM-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2Br)cc1	153709527	LSSRHLFSEHOVEE-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2CCCc3sccc32)c1	158941209	YRQBQRRVADRKRE-CQSZACIVSA-N	300.427	3.928	50	20	DHGD	
CC(C)n1nccc1NC(=O)NNc1ccc(C(C)(C)C)cc1	183571816	VBOVSOKXASEOBK-UHFFFAOYSA-N	315.421	3.910	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccc(C)cc1	193920934	CORQZANCEARMFA-GTVARFKMSA-N	320.392	3.875	50	20	DHGD	
CCCN(N=C(C)c1ccc(C#N)cc1)C(=O)OC(C)(C)C	496661223	QCAGCAQVMYYGRA-UHFFFAOYSA-N	301.390	3.929	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	588534590	LYCKYZKCHUGNCC-OQYWKCLKSA-N	322.677	3.526	50	20	DHGD	
COCc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1	588580617	LJHGPITZFAIEOX-YBEGLDIGSA-N	301.349	3.840	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCCCCC1	726160061	JYMFOVVMXHNHFE-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
CCCCN(C(=O)NNC(=O)C(C)(C)C)[C@@H](C)c1ccc(C)o1	731499020	GSVXACHZFSDBFL-ZDUSSCGKSA-N	323.437	3.538	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2	755655057	BGPXVUFJIOEUFI-JVPBZIDWSA-N	304.393	3.697	50	20	DHGD	
CC(C)(C)CC=NNC(=O)c1cc(F)ccc1Br	755702068	WTNCNAPOPYYGIO-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1	760264672	MUXPXAFVQQARJT-LFIBNONCSA-N	316.320	3.845	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc4c(c3)ncn4C)[nH]c12	761203839	AZXHVNCGUPUYJA-RIYZIHGNSA-N	313.364	3.822	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccc(OC(F)(F)F)cc1	762844068	KCFMXNBEMAAZQF-KTKRTIGZSA-N	302.296	3.775	50	20	DHGD	
COc1ccc(C(=O)OC[C@H](C)CBr)c(Cl)c1	770367300	CDVBFNYJSGXROZ-MRVPVSSYSA-N	321.598	3.536	50	20	DHGD	
Cc1cc(C)cc(OCCC(=O)NNc2c(C)cccc2F)c1	771700294	GHVFJCJPYVKZTM-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NCCCSC#N)s2)o1	773586947	SVWVREQVJLUUKG-UHFFFAOYSA-N	306.412	3.651	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	778451602	WPTBTIGZIWSQSY-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C[C@H]1CCCC[C@H]1C	783813143	IJEKMMZKJPQSRY-HZSPNIEDSA-N	306.381	3.521	50	20	DHGD	
CC(C)c1ccc(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/C2CC2)cc1	786668495	GYMQIESUBDTHNB-VGSSETLESA-N	311.381	3.784	50	20	DHGD	
Cc1cccc2ncc(/C=C(/C#N)c3cnc4ccccc4n3)n12	790231606	SOMNQQKBIGKEHG-ZROIWOOFSA-N	311.348	3.650	50	20	DHGD	
C=C(CBr)CN1CCC[C@H](Cc2ccccc2)C1	791460650	ORNUTWBFKNMGGF-MRXNPFEDSA-N	308.263	3.892	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)nc1	797787604	WQZDZWGIBHHWHI-LFIBNONCSA-N	305.381	3.982	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@H](C)CC(C)(C)C	798311208	JHYKSVFOHFZYEC-LBPRGKRZSA-N	305.422	3.610	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1nccc2sccc12	806861089	IBIXIGQNWYAJED-UHFFFAOYSA-N	323.377	3.728	50	20	DHGD	
CC(C)=CCOc1cccc(C(=O)N(C)CC(Cl)Cl)c1	808247561	FWHOQKGERJZMQK-UHFFFAOYSA-N	316.228	3.907	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2cccc(Cl)n2)c(C)s1	817005846	LALFJXBNUSXNPL-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819746621	DFWQKKNCVZKJDW-WPRPVWTQSA-N	302.205	3.658	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1ccc(Oc2ccccc2)cn1	834983080	JIWNMWVGMRMQAY-UHFFFAOYSA-N	309.369	3.514	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(C)cc2Cl)CCO1	836935813	BMGWZRQBZZPSOG-STQMWFEESA-N	310.825	3.687	50	20	DHGD	
COc1cc(NNC(=O)[C@H]2CCC(C)=C(C)C2)ccc1Cl	843871786	GYAKJWAYNXUYGQ-LBPRGKRZSA-N	308.809	3.928	50	20	DHGD	
COc1cc(F)c(/C=C(\C#N)C(=O)C2CCCC2)cc1OC	844271464	QIMVVZUJYUDVGC-NTUHNPAUSA-N	303.333	3.509	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCCC(C)C)cc1F	848356294	XPQDFHIATFOWOM-ACCUITESSA-N	320.364	3.633	50	20	DHGD	
C[C@]1(C(=O)Nc2ccc(C(F)F)cc2)C[C@@H]1Br	885582785	NMKKQCURJPQQMF-CABZTGNLSA-N	304.134	3.736	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)Nc2ccccc2C)cc1F	915971453	WABZNKKWVLPARW-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
CCCC(=NNC(=O)OC(C)(C)C)c1cccc([N+](=O)[O-])c1	916266837	IKCPMLXCOULCMU-UHFFFAOYSA-N	307.350	3.624	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccsc3)cc2C1	916353630	RZZYSPSEUACKQK-SNVBAGLBSA-N	304.440	3.698	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	1317743989	WKDJRKOVQNKPAH-QPEQYQDCSA-N	313.740	3.844	50	20	DHGD	
O=C(NN=CC1CCC(c2ccccc2)CC1)c1ccccn1	1321199485	NEPCMNUUNKIIJZ-UHFFFAOYSA-N	307.397	3.771	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1cccc(C(=O)O)c1C	1595669809	JVYMOPCEWIEVGB-ZDUSSCGKSA-N	306.406	3.743	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)o1)C(=O)c1ccc(Cl)cc1F	1601045289	KCHOJTOOXAXNKF-VMPITWQZSA-N	319.675	3.560	50	20	DHGD	
CCCC[C@@H](C(=O)O)N(C)CCO[Si](C)(C)C(C)(C)C	1605235299	YTSUVCVFYFCYHT-ZDUSSCGKSA-N	303.519	3.583	50	20	DHGD	
CCN(Cc1ccccc1)c1ccc(/C=C(/C#N)C(=O)OC)cc1	33409793	PTGRHAKXDHSKCJ-AQTBWJFISA-N	320.392	3.793	50	20	DHGD	
Fc1cccc([C@H](CBr)OCC(F)(F)F)c1	50481878	NPHXLMVKUSQKCC-VIFPVBQESA-N	301.077	3.841	50	20	DHGD	
CCCn1cc(NC(=O)CCCC[C@@H]2CCSS2)cn1	80736931	CBGBTIRIEHAOQJ-CYBMUJFWSA-N	313.492	3.946	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(Cl)c([N+](=O)[O-])c1	91985962	ROCYPSQOWCNELG-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cn1	154884356	HAEWYJXUUIGRES-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OC(C)C)c(OC(F)F)cc1C	174055712	MAOCKUWLEHGBEC-NTUHNPAUSA-N	309.312	3.763	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)[C@H](Br)C(C)(C)C)cc1	196537612	GZDVCZUBQLIICW-AAEUAGOBSA-N	312.251	3.982	50	20	DHGD	
C#CCCCCC(=O)NNc1ccnc2cc(Cl)ccc12	271638684	KTNOELGPBVQHRX-UHFFFAOYSA-N	301.777	3.525	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1c(CC)oc2ccccc12	276344406	SPWOHGAEKIFFQF-ZRDIBKRKSA-N	303.383	3.684	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@@H]1C1CCC1	375103816	CYDQZMJGBWLTAT-VXGBXAGGSA-N	302.256	3.587	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cc(-c2ccc(C)o2)ccc1C	490700700	VVJZYPXABZMFRL-RVDMUPIBSA-N	310.353	3.946	50	20	DHGD	
CCC(=NNC(=O)c1cc(F)ccc1Br)C(C)C	728437376	BLGYMAFCTYOGSW-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)C(C)(C)c1ccccc1	731152648	NOGCZCYPMPTXJH-UHFFFAOYSA-N	319.408	3.904	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2nccc3sccc23)C1	734250147	OLEOQFYBWODAJG-NEPJUHHUSA-N	303.431	3.956	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)s1	751426592	IMMDGONCBLCCBZ-OJLMPMFISA-N	314.385	3.980	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)ccc2Cl)no1	765198883	OHCUGYGVAUHBBS-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(Br)ccc1Cl	767776710	OCINWAKHNVBUHD-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1scnc1C1CC1	768365837	JLIIPVXURVMNGX-SECBINFHSA-N	317.252	3.769	50	20	DHGD	
CSSCCNC(=O)c1ccc2c(c1)-c1ccccc1C2	791116381	JMEURJKXGNCRLM-UHFFFAOYSA-N	315.463	3.999	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCC3(CC2)CC3)cc1C	792627423	QPPBHFPMRNREEC-UHFFFAOYSA-N	300.402	3.509	50	20	DHGD	
CC[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCCO1	799071003	XZCZGQPLHWUVPH-KBPBESRZSA-N	317.520	3.728	50	20	DHGD	
CC(C)(C)c1ccc(/C=C\C(=O)NNc2cccc(F)n2)cc1	804772286	DKRFUTNHIHAKBC-XFXZXTDPSA-N	313.376	3.675	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Cn2ccc3ccccc32)c1	806399645	WAUMBOZKKVXBCC-OAHLLOKOSA-N	307.397	3.729	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@H](CO)C1CCCCC1	808744906	FFCAYIKZOIFZJG-OAHLLOKOSA-N	301.547	3.539	50	20	DHGD	
N#C/C(=C\c1ccc2cnccc2c1)c1ccc([N+](=O)[O-])cn1	812244429	BEABCBPIKBIOTL-OVCLIPMQSA-N	302.293	3.602	50	20	DHGD	
N#C[C@H]1CCCC(=NNC(=O)c2cc3c(s2)CCCCC3)C1	814767795	VINRSYWXPXYCRQ-LBPRGKRZSA-N	315.442	3.817	50	20	DHGD	
CC(C)O[C@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	815852746	HQFURAJKXHCUNW-INIZCTEOSA-N	320.339	3.574	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(OCC)cc1)c1ccccn1	817896415	WFLJKAQKYRIYOO-INIZCTEOSA-N	313.401	3.507	50	20	DHGD	
CC(C(=O)NNc1cc(C(F)(F)F)ccc1F)=C1CCC1	827667492	HUESWAJYCJAFJQ-UHFFFAOYSA-N	302.271	3.788	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2c(C)cccc2Cl)c1C	836933674	MUCSLGDUOVIODD-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)CCCc1nccs1	836937098	VEVNBANASIQXFP-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnc(C3CC3)c2)c(Cl)c1	836937853	OWBVPEONPZOBCL-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C(C)C)cc2)cnn1C(C)(C)C	837056304	XXARDQHCRVDHLO-UHFFFAOYSA-N	314.433	3.827	50	20	DHGD	
CCc1ccnc(CNC(=O)NNc2ccc(C(C)C)cc2)c1	838576898	WPMIDAKFOWTCET-UHFFFAOYSA-N	312.417	3.594	50	20	DHGD	
Cc1nc(CCN(C)CCO[Si](C)(C)C(C)(C)C)cs1	844344086	QQTFTXAXTPEBTJ-UHFFFAOYSA-N	314.571	3.948	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COC[C@@H](C)c2ccccc2)c1	845856646	NTCSYHOBXLCFIM-MRXNPFEDSA-N	312.413	3.567	50	20	DHGD	
CC(C)(C)N1CC[C@@H](NCc2ccc(OCCCCl)cc2)C1	850350597	DKMPDTMTHONGKL-MRXNPFEDSA-N	324.896	3.657	50	20	DHGD	
Cc1ccnc(N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	853896763	KKQINKAEGVWGGS-AWEZNQCLSA-N	307.514	3.776	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc(Cl)cn2)CCC1	856091369	LZWABDUWZXDYCY-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1ccc(Br)c(C)c1	860323195	JHOMKYUOLYPEEW-UHFFFAOYSA-N	324.222	3.531	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	916223729	PFHUVYHQFZHSGX-HEHGZKQESA-N	305.397	3.811	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2cc(F)ccc2F)cc1	916329449	JNNCHGCEGJJJEJ-UHFFFAOYSA-N	302.324	3.681	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C[C@@H]2CC=CCC2)c1C	916336466	GFLSUDIKDMYADT-JKSUJKDBSA-N	300.402	3.529	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccnc2)c(C)n1C1CCCCC1	917023241	NSHNXJOPKMMATG-UHFFFAOYSA-N	324.428	3.769	50	20	DHGD	
Cc1ncc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)s1	917536287	NSBLNTSNAKTJIU-UHFFFAOYSA-N	317.458	3.508	50	20	DHGD	
O=C(CC(F)(F)F)NN=Cc1cccc(Oc2ccccc2)c1	917550400	FAPSNLVWRMOOLJ-UHFFFAOYSA-N	322.286	3.881	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)c(C)c2)C1	928339482	FJWOLZXYZQXBRT-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H](C)c1c(C)noc1C	928340594	WASBJBINTVHTSN-SECBINFHSA-N	307.781	3.500	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnc(CC(C)C)s1	935447863	IZSAQTAZKXETNQ-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
COc1ccccc1C1(C(=O)NNc2cc(C)ccc2C)CCC1	1319370835	LHTHDHQCEVWMMB-UHFFFAOYSA-N	324.424	3.877	50	20	DHGD	
C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(Oc2cccnc2)c(F)c1	1887504168	AXQRHMAKAPTSLT-QWRGUYRKSA-N	322.767	3.818	50	20	DHGD	
N#C/C(=C\c1ccc(OCCN2CCCC2)cc1)c1ccccn1	25581612	LFIYRHXBUKEILA-OBGWFSINSA-N	319.408	3.620	50	20	DHGD	
Cc1cccc(OCC(=O)NNc2ccccc2C(F)(F)F)c1	45481146	OLIWSWUPOGVPHU-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccoc2C)cc1	56252169	ATBVFKIVQAXBEH-BOPFTXTBSA-N	324.380	3.552	50	20	DHGD	
O[C@](c1ccccc1)(c1nnc(CCl)o1)C1CCCCC1	66054715	PWSSAWQWPZMARG-INIZCTEOSA-N	306.793	3.625	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1cccc2c1CCCC2	120026778	VKEFAKUVOHMMAH-UHFFFAOYSA-N	322.408	3.887	50	20	DHGD	
C[C@H](CBr)CN[C@H](c1ccccc1)c1ccccn1	133928952	WOUHGWGBQCZYLG-CZUORRHYSA-N	319.246	3.792	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccccc1[N+](=O)[O-]	136313936	HMSRRKHHTBYLIJ-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3cccc(F)c3)coc2c1C	154740469	YEMFGNZESJXNGP-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H]1c1cccc2ccccc12	159154974	PKXBTUMSQQGAQX-VDUFWMCCSA-N	320.392	3.947	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](c1ccc(F)cc1)C1CCCC1	159194696	FAQBNQFSROKVLU-MLRPBERTSA-N	316.376	3.617	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2cc(C)ccc2C)c1	159312290	GKMIXNLANPASGV-HNNXBMFYSA-N	312.413	3.949	50	20	DHGD	
CCCC[C@@H](CCC)NC(=O)NNC(=O)Nc1ccccc1C	175985738	PPFVRVQGEFSHEL-CQSZACIVSA-N	320.437	3.690	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CCN3C)cc1	178887340	BNDCVCAJLSSRIC-SFQUDFHCSA-N	317.392	3.533	50	20	DHGD	
CCCNc1ccc(Cl)cc1NC(=O)/C(C#N)=C/OCC	182446539	BMDIEOTYSAEUTA-ZHACJKMWSA-N	307.781	3.544	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1F	195502071	VKECMKKGMLSJLU-XNTDXEJSSA-N	324.355	3.997	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	205795019	INSUWOGGJCPHKZ-QINSGFPZSA-N	301.349	3.724	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1cccs1	254443255	CGLSATDULSZFJC-UHFFFAOYSA-N	310.378	3.761	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cccc(Cl)n2)CCC1	293819611	ZIAZHTKRHMHEBN-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1cc(C(F)(F)F)ccn1	295475344	YSZUWHGRBCGHAO-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)s1)NNc1cc(Cl)ccn1	588396512	RKEGRIDQGRVLAS-RQOWECAXSA-N	314.197	3.606	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1F	727655634	ZDQZFYYRFNFMHW-NTUHNPAUSA-N	300.358	3.743	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)cc1	735614308	SRVZRTZKFCGEBJ-SFHVURJKSA-N	317.392	3.687	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1cc(C)c(F)c(C)c1	741453474	PXCXUOZXPRNDFT-UHFFFAOYSA-N	302.324	3.736	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=CC1CCCC1	741838186	QIEDHIYCJWOYJH-CQSZACIVSA-N	310.397	3.899	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CSc3ccccc32)c(C)c1	743764549	MSQGUWAWHBQKPF-OAHLLOKOSA-N	312.438	3.944	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3cc(F)c(F)c(F)c3)cc2c1	746700421	XPJDIVBXLAYDAA-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)ccc1C(C)C)C1CCC1	747625453	JNGCDLMUDRLNPE-UHFFFAOYSA-N	302.418	3.789	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)NCCc1ccccc1	747697604	YXVGQIRYALLDLF-NXGCWKMQSA-N	320.367	3.648	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(OC(F)F)cc1	748649247	OFSPYSMLFURXFG-RYUDHWBXSA-N	312.360	3.948	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2cc3ccccc3o2)cc1	749818184	SALISLFDQYSPBB-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cccc3cnccc23)cc1Cl	753317740	XQYHATBIFZTHCW-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CCCOc1cccnc1C(=O)NNc1c(C)cc(C)cc1C	760462663	GLVSOSUICNHQQQ-UHFFFAOYSA-N	313.401	3.553	50	20	DHGD	
Cc1cc(NNC(=O)/C=C2\CC[C@@H](C)C2)ccc1Br	762807240	WTDKAHUPFGBCLF-QSARLWQPSA-N	323.234	3.947	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)c1c[nH]c2ccccc12	763339743	VAXINDRYKLGQMS-UHFFFAOYSA-N	320.327	3.552	50	20	DHGD	
N#CC1=CCN(C(=O)C(c2ccccc2)c2ccccc2)CC1	767158029	RMXVDOXSAOGFDB-UHFFFAOYSA-N	302.377	3.501	50	20	DHGD	
Cc1cc(OC(C)C)ccc1NC(=O)NNc1cccc(C#N)c1	769972131	ZDMODAFRGCTDEQ-UHFFFAOYSA-N	324.384	3.803	50	20	DHGD	
Cc1cc(C(=O)OC[C@H](C)CBr)c2ccccc2n1	770305323	NBBUZPIMNGOFAX-SNVBAGLBSA-N	322.202	3.731	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)c1nc(-c2ccccc2)no1	770570688	JDLQZOAQJOHDNP-DHDCSXOGSA-N	316.295	3.812	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCC=CO1	777837937	IUSSQOSHQLNZJQ-JTQLQIEISA-N	321.591	3.783	50	20	DHGD	
CC(C)(C)OCc1ccc(NC(=O)NNc2ccccn2)cc1	779065250	KBAMBMIJSVXDDA-UHFFFAOYSA-N	314.389	3.545	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1ccccc1C(=O)OC	780728295	DIYDTJQSJXHIAH-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
CCN(C(=O)[C@H](Br)C(C)(C)C)C1CCCCC1	781073344	HFBRPEQBHMZHQU-LBPRGKRZSA-N	304.272	3.977	50	20	DHGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)CCc2ccccc2O)C1	783841680	JYCRXTSZYAIRCO-CABCVRRESA-N	302.418	3.643	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CO1	784006780	AMWNAFXFRRNVNN-NKWVEPMBSA-N	323.607	3.515	50	20	DHGD	
Cc1ccccc1C[C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	785357025	BNZZHCJGWKCPAJ-BRFSQIRFSA-N	322.383	3.789	50	20	DHGD	
CCCN(N=Cc1ccc(N(C)C)cc1)C(=O)OC(C)(C)C	794993190	TZOGRSLRZCDLLH-UHFFFAOYSA-N	305.422	3.734	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccccc1OC(C)C	797344136	VODANCKSAWAVLT-FOWTUZBSSA-N	300.402	3.687	50	20	DHGD	
COc1ccc(NCc2ccc(OCCCCl)cc2)cn1	798187247	NQVHKROXJLUBMP-UHFFFAOYSA-N	306.793	3.710	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(CCOC)CCCC1	799757599	CPYNSXKBFMNWRE-UHFFFAOYSA-N	304.434	3.597	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1ccc(OCC(F)(F)F)cc1	802830317	REMUYSAFYMCPLV-NSHDSACASA-N	318.339	3.897	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1ccc(Br)c(F)c1	803116647	MYLNCPZGSLLGLR-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
ClCCCOc1ccc(CN2CCC[C@H]2[C@H]2CCCO2)cc1	811503797	DBGIWUMESZXNGJ-ZWKOTPCHSA-N	323.864	3.838	50	20	DHGD	
Cc1cc(NNC(=O)CCCC2CC2)ccc1Br	812510368	QKKRUNQQXQGWCW-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(F)cc1	815006007	FNKQPFMLYHUBFU-UHFFFAOYSA-N	307.275	3.650	50	20	DHGD	
C[C@H](Sc1cc(Cl)ccc1Cl)C(=O)NN(C)C1CC1	819647901	TUXUNKKDTCZSPL-QMMMGPOBSA-N	319.257	3.599	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc2oncc2c1)c1ccccc1	821028495	SRRCMRYLZQIBFZ-LWLPBDFMSA-N	317.348	3.612	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2ncccc2C(F)(F)F)C[C@H]1C	825985025	VPSRJCXUHPPOIW-MXWKQRLJSA-N	315.339	3.616	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1ccc(C(F)(F)F)cn1	828828087	FKGVJUVYXUXEEQ-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
CCCC(CCC)C(=O)NNc1cccc(Br)n1	837211578	GHGBWISSKKUPLZ-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844547536	GLLZQQVHKPNSEV-DELQEKLWSA-N	305.349	3.755	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc(C(C)C)oc1C	846641487	GQPYFGVSEKMXFO-UHFFFAOYSA-N	306.337	3.616	50	20	DHGD	
O=C(O)c1cccc(C(=O)NN=C2CCCC23CCCCC3)c1	853425353	DQMBCGVQOJIOOF-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
O=C(O)c1cccc(C(=O)NN=C2CCC3(CCCC3)CC2)c1	853425402	DOTSONPHOOHAHW-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1)OCC(F)(F)F	853430303	DDFVIDKPTCFGLG-GFCCVEGCSA-N	314.307	3.674	50	20	DHGD	
Cc1ccnc(N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	853896764	KKQINKAEGVWGGS-CQSZACIVSA-N	307.514	3.776	50	20	DHGD	
CCc1nc(C)c([C@H](C)NC[C@]2(C)C[C@H]2Br)s1	857083738	ZKWUBRJCBKJAHZ-PLMOITTCSA-N	317.296	3.838	50	20	DHGD	
C[C@@]1(CNC(=O)c2cccc(C(F)F)c2)C[C@H]1Br	857400157	HDHXVULDIAAFTP-MFKMUULPSA-N	318.161	3.528	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccc1C(F)(F)F)c1ccco1	858279378	ZQHQNRAJKQWVCX-JTQLQIEISA-N	312.291	3.935	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(C2CC2)n1	899378625	RZZMPBSRYWQIQU-IZZDOVSWSA-N	318.302	3.775	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1cccs1	915972484	OMEWDSSFYHIMAW-UHFFFAOYSA-N	308.406	3.984	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c[nH]c3cc(C)ccc23)cc1	917542264	RDVZIBOQKHIRJL-UHFFFAOYSA-N	305.381	3.803	50	20	DHGD	
Cc1ccccc1-c1ccccc1C(=O)NNC(=O)C1CCCC1	930132940	BQCYBLXNZHETLD-UHFFFAOYSA-N	322.408	3.613	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(Cl)nc1	1320214413	FWGZIFHFUULNPC-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)c1cncn1-c1ccccc1	1320771768	VZJMDRFROMXKOV-CQSZACIVSA-N	310.401	3.558	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc2c1OCCO2	1323445947	VVMLAKAZKXMZSK-RVDMUPIBSA-N	305.333	3.556	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(Cl)c(C)c1	1352125663	RVHCGWFEVPKZGK-UHFFFAOYSA-N	320.824	3.745	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(F)c1C(=O)O	1595631962	MDZPPGUBJRHETJ-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
Cc1oc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cc1C(=O)O	1600837825	BRQRKPCISHSFEF-XBXARRHUSA-N	321.741	3.791	50	20	DHGD	
O=C(CCC1CCCCCC1)NNc1cccc(C(=O)O)c1F	1601266521	RDXFYHMOWGDBAN-UHFFFAOYSA-N	322.380	3.718	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ccc(C)c(C(=O)O)c3)cc2c1	1607835688	YHZWNOPEHRPEKA-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045299	QZAWDXSOLSZFNQ-ZDUSSCGKSA-N	317.389	3.709	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)cc1OC	7714358	FZFCSJOWAOMORI-NTEUORMPSA-N	311.337	3.785	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(Br)c(C)c1)C1CC1	114889095	DWOHFXQESBKXGJ-HJWRWDBZSA-N	309.207	3.557	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cn1	119412474	RCOUYKQRBUIDGE-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1ccc(F)cc1	128672582	NKQNLRXJTCRMBS-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(Cl)ccn1)c1ccc(F)cc1	128679754	QPDFFXNCSVMRMI-ZDUSSCGKSA-N	307.756	3.511	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1ccccc1F	152839968	YBYRZPJMKTZHRB-AWEZNQCLSA-N	322.767	3.780	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Br)cc1C	153606748	IXGMBPQTZWENOW-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(F)c(F)cc1F	158517107	JYSBLTIRFOCHDB-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccccc1OCCOC	177615811	BUCVMIWVJXDNFG-RGHBXIHOSA-N	301.386	3.624	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1	178297126	BMUSYLXIXKADIW-IZZDOVSWSA-N	302.255	3.650	50	20	DHGD	
Cn1cc(Cl)cc1C(=O)NNc1ccc(Cl)cc1Cl	178871876	BLQXKDDZBBNLCG-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)s1	191763787	AIQURQXSMDYXMH-FMIVXFBMSA-N	321.398	3.853	50	20	DHGD	
CCCOc1c(/C=C(\C#N)C(=O)OC(C)C)cccc1OCC	206064222	KMYUFEFYPZIYMY-RVDMUPIBSA-N	317.385	3.733	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1nc(-c2ccccc2)c(C)s1	220632269	PUDOIVSWXBUNJW-RAXLEYEMSA-N	313.382	3.501	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1	255032600	XEMIFWVSKLCFID-CCRNYGKSSA-N	320.392	3.617	50	20	DHGD	
N#C/C(=C\c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccc(F)cc1	490979965	ZPNRYLBDQQJHGR-BJMVGYQFSA-N	323.249	3.718	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ncc(-c2cccc(C)c2)s1	491080289	CTYTVNQXAAKBGM-JLHYYAGUSA-N	313.382	3.501	50	20	DHGD	
CCOc1ccccc1C=NNC(=O)CCCc1ccccc1	727688712	FWFXGDFVANBKFM-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1	728433680	MIHXPLCLYPZIBC-GFCCVEGCSA-N	318.323	3.807	50	20	DHGD	
Cc1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1F	729140795	MJCSGVKZBIBDRF-UHFFFAOYSA-N	314.404	3.801	50	20	DHGD	
N#C/C(=C/c1ccnc2ccccc12)C(=O)Nc1ccc(F)cc1	731836036	ZSJHCHAKXWEDCK-KAMYIIQDSA-N	317.323	3.920	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)COCc1ccccc1	737433457	GJBNSIWIILEKRZ-MRXNPFEDSA-N	302.418	3.666	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2ncccc2C(F)(F)F)C1	740096893	HSDRHZHQGXUOHV-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
C[C@@H](C=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1	741765084	NOZMXSTXKIZAGH-AWEZNQCLSA-N	310.401	3.664	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc3ccccc3c2)[C@@H]2CCCO[C@H]21	743437110	CATVOGGJERTYCT-FUHWJXTLSA-N	322.408	3.761	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1cccc(C)c1	747356072	KZJPTUYCIHTDDK-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CS[C@@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)C(C)(C)C	752882275	CTBLYAVZWAXYTJ-GLNPCMGASA-N	320.433	3.627	50	20	DHGD	
CS[C@H](CNC(=O)NNc1ccccc1Cl)C(C)(C)C	753292262	QHMRIJQPGHQNLH-GFCCVEGCSA-N	315.870	3.744	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2cccnc2Cl)cc1	754478429	ZQXBLSUOPORISR-GFCCVEGCSA-N	317.820	3.934	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1C=NNC(=O)C1CCC1	756828713	GCDXEEYAOFOCLZ-UHFFFAOYSA-N	308.381	3.612	50	20	DHGD	
CC[C@@H](CC(F)(F)F)NC(=O)NNc1c(C)cc(C)cc1C	761035377	CHEGUMVMLUKASP-LBPRGKRZSA-N	317.355	3.969	50	20	DHGD	
O=C(NN=Cc1csc(Cl)c1Cl)NC1CCCC1	761800091	LFEOUEUCELJHIM-UHFFFAOYSA-N	306.218	3.631	50	20	DHGD	
CC(=O)c1cccc(NC(=O)[C@@H](Br)C(C)(C)C)c1	781066442	FFIIIHWZLIFLEB-GFCCVEGCSA-N	312.207	3.637	50	20	DHGD	
CSSCCNC(=O)C1(Cc2cccc(F)c2)CCC1	791152794	POUJGKJDULROOE-UHFFFAOYSA-N	313.463	3.666	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3ccccc3Cl)ccc2o1	792258701	ICKYVGFLZDOJGJ-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CN(C)c1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	792517874	VQCLXGJLFFSKLV-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)cn1	794885854	WLMRKIVMRPNENR-CAOOACKPSA-N	316.364	3.802	50	20	DHGD	
COc1cc(C)c(NC(=O)NCCSSC)c(C)c1C	806763700	TWHIAZOFDQSMND-UHFFFAOYSA-N	314.476	3.753	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(OCC#N)cc2)cc1C	809146730	TWTVGCJYGSGBOC-LDADJPATSA-N	316.360	3.996	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cnccn3)n2)cc1	809155370	VPDGXIZCMBKWQQ-MDWZMJQESA-N	320.377	3.673	50	20	DHGD	
CC(C)N1CCCN(Cc2ccc(OCCCCl)cc2)CC1	811453401	LNQWMVMVCGDTCS-UHFFFAOYSA-N	324.896	3.610	50	20	DHGD	
C[C@H](CNCc1ccc(OCCCCl)cc1)c1ccncc1	811482598	MSZKQCKJTQNOJQ-OAHLLOKOSA-N	318.848	3.983	50	20	DHGD	
COCCC1(C(=O)NNc2c(C)cccc2C(C)C)CCC1	812766104	HWSGFEJHBJNVRI-UHFFFAOYSA-N	304.434	3.768	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc(F)ccc1Cl	814509794	FKDLHZDLJHLLLH-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)Nc2cc(F)cc(F)c2)o1	815006778	DPEVPDQWKLUIKK-UHFFFAOYSA-N	307.300	3.666	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	817011028	CJXWOTJRXRBLGV-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3cccc(F)c3F)CCC2)cc1	819415657	HRJDCHBUGJRMNN-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@@H]1c1ccccc1	827973114	GEQWYQNEGYHMDO-HUUCEWRRSA-N	315.804	3.762	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1scnc1C	839775241	UFVLPHZYZYHVDY-UHFFFAOYSA-N	317.458	3.959	50	20	DHGD	
CCn1nnc(C)c1/C=C(\C#N)n1c(C(C)C)nc2ccccc21	840721218	BNPPRAOCUSEACO-GXDHUFHOSA-N	320.400	3.601	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)CCCC(F)(F)F)cc1F	854022069	ZJZIUYASQIEBEG-SNVBAGLBSA-N	321.318	3.881	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NNc1cc(Cl)nc(Cl)c1	854988720	HHYOQNBKVGPMDA-LBPRGKRZSA-N	308.184	3.750	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cc2c(s1)CCCC2	855365336	IHJQZEGXKNXGGC-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
CN1CCCC[C@H](CNCc2ccc(OCCCCl)cc2)C1	858245197	COVULUNALDLOFU-QGZVFWFLSA-N	324.896	3.516	50	20	DHGD	
COc1ccc(C2(NC[C@H](CBr)C3CC3)CC2)cc1	859232159	FWLJGFUUYNLRSW-ZDUSSCGKSA-N	324.262	3.695	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3cccs3)CCCCC2)n1	862523099	RDZDDOSCRZWFEJ-UHFFFAOYSA-N	315.442	3.797	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(-c2cccs2)c1)c1ccc[nH]1	917540869	FZENZTOGRBWZDN-UHFFFAOYSA-N	313.357	3.646	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)c1cccc(Cl)c1	921255239	MPCBCYMXELAVKT-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
O=C(Cc1cccnc1)NN=Cc1ccc(-c2ccccc2)s1	1251620149	UADMTOHBCNTXAR-UHFFFAOYSA-N	321.405	3.503	50	20	DHGD	
CON(C(=O)c1cccc(CCl)c1)[C@@H](C)c1csc(C)n1	1337250947	ACHFZDXUVICYOT-JTQLQIEISA-N	324.833	3.955	50	20	DHGD	
CN(Cc1ccc(F)c(F)c1)C(=O)C1CCC(Cl)CC1	1527425528	MPNQIMGXJHTDEW-UHFFFAOYSA-N	301.764	3.721	50	20	DHGD	
O=C(N[C@@H]1CCC[C@@]12CCCCO2)c1cccc(CCl)c1	1550889207	HJAFRMKMPFZUPC-WBVHZDCISA-N	307.821	3.647	50	20	DHGD	
Cc1ccc(C)c(Oc2ccc(CNC(=O)[C@@H](F)Cl)cn2)c1	2088604824	AMCNADOINMGYEW-OAHLLOKOSA-N	322.767	3.641	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncc(Cl)cc2Cl)cc1	16500503	VWEKEOQQSCINDF-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cccc(Cl)c1Cl	154559835	NDFHVYARKKDFNX-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC(C)(C)OC1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	162428803	FGSGHRGOHUDFDQ-CAOOACKPSA-N	302.393	3.970	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2cnn(CCCl)c2)n1	176940239	UUJWIDQDECBSGV-LFYBBSHMSA-N	306.822	3.766	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)c1c[nH]c2ccccc12	179174811	WHDXPNUTSXGITN-KPKJPENVSA-N	306.296	3.802	50	20	DHGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2ccccn2)C1	181178481	FWXOXMGDGHYHJI-HOTGVXAUSA-N	319.449	3.680	50	20	DHGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	182059970	IVABEQKNTNAZJB-MKMNVTDBSA-N	309.296	3.653	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	254953777	YZNCWDLPYXRXON-GHXNOFRVSA-N	315.760	3.799	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(Cl)cc1Br	255268191	PREXTTIOKFIXMN-UITAMQMPSA-N	314.566	3.573	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	266566919	WQCOLGFJWQCKOP-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1ccc2c(O)nccc2c1	285574537	CXAZYAUCLYTSTJ-UHFFFAOYSA-N	313.401	3.744	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cccc(C2CCC2)c1	293658101	JAFZIJAYKATAJZ-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@H](C(F)(F)F)C1(C)C	309128425	BIJJBJICYGGJPR-IUCAKERBSA-N	302.178	3.680	50	20	DHGD	
C=C(CBr)CN[C@H](c1ccccc1)c1nccs1	375601483	YUGAPPGEXPLKKX-CYBMUJFWSA-N	323.259	3.773	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2ccsc2)cn1	588577870	FFABTBRTXLPZLE-NVNXTCNLSA-N	311.410	3.778	50	20	DHGD	
O=C(NN=C1CCc2ccccc2C1)c1cccc2ncccc12	730146188	JTQQROVHDXSGCO-UHFFFAOYSA-N	315.376	3.510	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cccc(C)c2C)cc1	734305017	FFOKQDPOOQKDIZ-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2nccn2CC(F)(F)F)sc1C	741467581	OUVNPRXZYJUJTM-YHYXMXQVSA-N	312.320	3.583	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCC1CCCC1	742610734	GLFOLCOZGOTCFQ-UHFFFAOYSA-N	307.346	3.869	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2cccc(Br)c2)C1	748029948	DGBCCHLYRRROQJ-UBYNWHESSA-N	309.207	3.639	50	20	DHGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1cccc(Cl)c1	748291361	UHHYMAVTLXABGW-CQSZACIVSA-N	322.767	3.780	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)nc1)c1ccc(Cl)s1	750238159	DXACKIHPLWZPAP-SSDOTTSWSA-N	316.213	3.697	50	20	DHGD	
CC(C)(CCC(=O)NNc1ccc(Cl)nc1)c1ccccc1	754468280	LUXDNSPCAYQXCO-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
CC(C)CCn1cccc1C=NNC(=O)c1c[nH]c2ccccc12	755488443	NTMSUKDKLLIABJ-UHFFFAOYSA-N	322.412	3.779	50	20	DHGD	
CCCCC=NNC(=O)Cc1nc(-c2ccccc2)cs1	755626268	ZKBMJCRESVFQNP-UHFFFAOYSA-N	301.415	3.645	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(C#N)s1	762449926	PYPLVVWJDIIQRV-UHFFFAOYSA-N	309.350	3.520	50	20	DHGD	
CC(C)(C(=O)NNc1cnnc2ccccc12)C1CCCCC1	767145318	OYNQZUFWTFSIPJ-UHFFFAOYSA-N	312.417	3.679	50	20	DHGD	
O=C(NN=CC1CCC(C(F)(F)F)CC1)c1ccccc1F	767358702	DFIBKSAMIVFKHF-UHFFFAOYSA-N	316.298	3.910	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1scnc1C1CC1)c1ccccc1	782231937	YNTFJOOROXDUJO-CQSZACIVSA-N	313.426	3.664	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2ccc(Br)s2)C1	783809415	DKTNKUWFFIRQLO-UHFFFAOYSA-N	315.236	3.807	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1C=NNC(=O)Nc1ccc(N(C)C)cc1	783850428	SSMJZMKQPSFKRJ-ZIAGYGMSSA-N	302.422	3.686	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)CSCc1ccccc1	791093770	ANGATBCZEVINBN-LBPRGKRZSA-N	315.529	3.683	50	20	DHGD	
CSSCCNC(=O)CCCOc1ccc(Cl)cc1	791113300	CGRKHWTXJFTHEG-UHFFFAOYSA-N	319.879	3.626	50	20	DHGD	
C=C(CBr)CN1CCC(Oc2ccc(C)cc2)CC1	791460575	LBIKVUWVLJDZGW-UHFFFAOYSA-N	324.262	3.789	50	20	DHGD	
Cc1csc(CC(=O)NN=CC2CCC(C(C)C)CC2)n1	794889898	ZWZQQNBAEPZPSW-UHFFFAOYSA-N	307.463	3.558	50	20	DHGD	
COc1cc(C(=O)NN=C[C@H]2CC[C@@H](C)C2)ccc1OC(C)C	800808170	NAJUWJITVVORJA-KGLIPLIRSA-N	318.417	3.634	50	20	DHGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@H]1CCCF	800808405	SBSJGQGZZHMQDA-OLZOCXBDSA-N	324.371	3.615	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ccc(F)cc1C	801929970	ZKCJEFNXPGTBCX-DLBZAZTESA-N	312.388	3.943	50	20	DHGD	
Cc1c(C(=O)NCC(Cl)Cl)sc2ccc(F)cc12	808131102	PIKRKAOSEOBGJM-UHFFFAOYSA-N	306.189	3.882	50	20	DHGD	
ClCCCOc1ccc(CN(C[C@H]2CCOC2)C2CC2)cc1	811454844	PXGRMRJWCPNLNU-MRXNPFEDSA-N	323.864	3.695	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@H]1CCCS1	813097746	MHLFMWOEZBBFDP-CYBMUJFWSA-N	307.463	3.640	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)C1(F)CCCCC1	813176716	HGTOMPQLSNGTBA-UHFFFAOYSA-N	318.304	3.721	50	20	DHGD	
Cc1ccc(NC(=O)NN=C2CCC[C@H](C#N)C2)c(Cl)c1	814856524	MQMJDKHLZWGYNY-NSHDSACASA-N	304.781	3.840	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)CSc1ccccc1O	814969400	VOIVLFMZLBYJPE-LBPRGKRZSA-N	320.458	3.803	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnc3c(F)cccc3c2)c1	815856564	RHFMBMJRVLSBBP-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)[C@@H]1C[C@H]2CC[C@H]1O2	834940708	CFYSARMQBSPBDX-FGTMMUONSA-N	308.381	3.513	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C#CC(C)(C)C	837527807	YSBPIXMBKPZKEU-UHFFFAOYSA-N	323.234	3.504	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2cc(F)ccc2C)s1	855365901	WSNWCOOASYSFGC-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1nc2ccc(Cl)cc2s1	856234103	MPBCRKMNGDJLDM-UHFFFAOYSA-N	323.727	3.735	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1Cl	863176118	FXDDTGUVOARNBN-UKTHLTGXSA-N	318.804	3.704	50	20	DHGD	
CC[C@@H]1c2ccccc2CN1C(=O)[C@@]1(C)C[C@H]1Br	890612747	AHRNXRVMBMLFIC-NFAWXSAZSA-N	308.219	3.653	50	20	DHGD	
CCN(CC)CCC(=O)NN=Cc1ccccc1-c1ccccc1	917539474	LJAABAVADIXYLO-UHFFFAOYSA-N	323.440	3.536	50	20	DHGD	
CCN(C[C@@H](C)C#N)C(=O)CCCC[C@@H]1CCSS1	919884111	LCRJSBOVKHZPEB-QWHCGFSZSA-N	300.493	3.709	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)c1ccccc1C	1116223472	ZHBMVRLFYVNEME-GHRIWEEISA-N	321.376	3.810	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2cc(Cl)ccc2Cl)[nH]1	1319148607	USVXXDWRHRMBGL-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
CCCN(N=Cc1ccc(N)c(Cl)c1)C(=O)OC(C)(C)C	1322417493	UBXWAGLYKLVYOH-UHFFFAOYSA-N	311.813	3.903	50	20	DHGD	
O=C(NN=C1CC[C@H](c2cccc(Cl)c2)C1)C1CCOCC1	1333653223	CLDIIHYQGGNTNM-AWEZNQCLSA-N	320.820	3.506	50	20	DHGD	
CC(C)CC[C@H]1CCC(=NNC(=O)c2ccc(C(=O)O)cc2)C1	1776100382	DYHFANTZXRZHPJ-ZDUSSCGKSA-N	316.401	3.707	50	20	DHGD	
CCC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)cc1	1776676046	ZAHWRPBIVOOMPE-BOPFTXTBSA-N	305.333	3.938	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	46705756	KLGQMRMJZFOKPK-LDADJPATSA-N	314.429	3.648	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(F)cc(F)c1	120011735	HUOHQBNKDXJHAV-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(F)c(F)c(F)c1	120297627	NOJMEFBSSUXXHI-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1cccc(Br)c1	127259212	PRXKWHKSQPBTLC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(/C=C/C1CCCCC1)NNc1ccc(C(F)(F)F)cn1	132388306	UEABHTNFTDMQEF-RMKNXTFCSA-N	313.323	3.680	50	20	DHGD	
C=CCN(Cc1cccc(C#N)c1)C[C@H](C)CBr	133690573	RHMMRLFCYXZXJK-CYBMUJFWSA-N	307.235	3.577	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3cccs3)n[nH]2)c1	158895501	JEYZMXJDOQXVOA-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
CC(C)[C@@H](CC(=O)NNC(=O)CC1CCCC1)c1ccccc1	171481010	VFHRKOHRZYZPPI-QGZVFWFLSA-N	316.445	3.544	50	20	DHGD	
C[C@@H]1CSCCN1C(=O)CCCC[C@H]1CCSS1	172453479	DVJBBTCGKXQIES-NEPJUHHUSA-N	305.534	3.664	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc(C#N)cc2)cc1	181121008	XVMSWYSGANAHGD-UHFFFAOYSA-N	307.397	3.542	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1SCCc2sccc21	184304052	DIUYPFQQUMCFTP-AWEZNQCLSA-N	322.430	3.669	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccccc2C)cc1	188609042	SNYDLOYMLRYCEN-BRFSQIRFSA-N	320.392	3.788	50	20	DHGD	
C[C@@H]1CCCCC1=NNC(=O)c1ccc(Br)cc1	254683456	UDRNKRJURYVQIM-SNVBAGLBSA-N	309.207	3.745	50	20	DHGD	
COc1ccccc1C=NNC(=O)c1ccc(C(C)(C)C)cc1	254750501	QWEMBHPZDNRRJC-UHFFFAOYSA-N	310.397	3.757	50	20	DHGD	
C/C(=C/C(=O)NNc1ncccc1Cl)c1ccccc1Cl	255128029	YKQRCHAZZYIWAL-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
CC(C)[C@H]1C[C@H](CC(=O)NNc2ccccc2Cl)CCO1	272887823	WLOMHRJVTJGSFG-IUODEOHRSA-N	310.825	3.624	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2c[nH]c(C(F)(F)F)c2)cc1	490938344	DYCOKTARTGJQPZ-WUXMJOGZSA-N	319.286	3.888	50	20	DHGD	
CN(N=Cc1ccc(OCC(F)F)cc1)C(=O)OC(C)(C)C	491986517	IRSCRXQMOQXCNR-UHFFFAOYSA-N	314.332	3.531	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1cc(C)c(C)cc1C	728784879	MZAMAACDMSVJLC-UHFFFAOYSA-N	305.381	3.638	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(Cl)cc2Cl)cc1	729273104	GQTSGVUXEIKOIZ-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccccc1C	730146404	VBNALMSCWOPARC-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccccc1OC1CCC1	735648742	CNDGUHHLHZKTDK-UHFFFAOYSA-N	300.333	3.514	50	20	DHGD	
CC(=NNC(=O)COCc1ccccc1)c1cc(C)c(C)cc1C	737436875	KXNKXAJPYXAMCB-UHFFFAOYSA-N	324.424	3.669	50	20	DHGD	
CCC/C=C\C(=O)NNc1c(F)cc(F)cc1Br	742108118	GLINNBGSJQEQLA-PLNGDYQASA-N	319.149	3.527	50	20	DHGD	
C[C@H]1CCCC[C@H]1OCC(=O)NNc1ccc(Cl)c(F)c1	746699975	ONZYRSFJLQSNSE-IINYFYTJSA-N	314.788	3.518	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1ccc(Cl)cc1	749274149	HGPPQEQYHJPNSD-OAHLLOKOSA-N	318.804	3.949	50	20	DHGD	
CN(C[C@H]1OCCc2ccccc21)/C(=C\C#N)c1ccccc1	750797312	YQFQGFTXWFAFRO-DEWISIQVSA-N	304.393	3.797	50	20	DHGD	
CC(C)(C(=O)NN=C[C@H]1CCc2ccccc21)c1ccccc1	755704335	RGPWURMXYDBJBZ-MRXNPFEDSA-N	306.409	3.796	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1CC12CCC2	760120959	OAYHARPWLUOHHY-GFCCVEGCSA-N	301.777	3.522	50	20	DHGD	
C[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccc(Cl)s1	768516577	YDVZYANXACHSRP-QMMMGPOBSA-N	320.805	3.525	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1Cc2cccnc2C1	774219008	ZQVYVJZJBKHSPN-ZDUSSCGKSA-N	308.472	3.638	50	20	DHGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)C1CCCC1	781552607	APUNVARYYOJIPW-ZROIWOOFSA-N	305.324	3.997	50	20	DHGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787313610	KUNSVNOQYJHBGP-WQFSCWTBSA-N	312.413	3.774	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CC(C)(C)c1ccccc1	788188359	IHLIEQJOIXGYMC-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H]2CCCC[C@H]2C)ccc1Cl	788848103	DNNIIXWMXIJQDT-ZWNOBZJWSA-N	311.813	3.553	50	20	DHGD	
CSSCCNC(=O)c1c(Cl)cc(F)cc1Cl	791150621	PHSMUWPMJLYWTR-UHFFFAOYSA-N	314.234	3.874	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(C(C)C)c(Cl)c1	791221469	VUYHEFIQTDJXIE-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
C#Cc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1	792627867	HJASHXYGHWMQKE-UHFFFAOYSA-N	317.175	3.739	50	20	DHGD	
COCCC1(NC(=O)CCCC[C@@H]2CCSS2)CCC1	794163624	FWYSEBZQULHBOY-CYBMUJFWSA-N	317.520	3.776	50	20	DHGD	
C=C(CBr)COC(=O)c1c(F)cccc1Cl	795344667	GSZPYEDAOIYPMQ-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1C[C@H]1c1cccc(Cl)c1	798112961	OGUURNXCHYMOJU-LSDHHAIUSA-N	319.767	3.661	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2)ccc1OC(F)F	798229476	CMZIDJHQJXCEJE-WUXMJOGZSA-N	319.263	3.679	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1C#N	799704760	JAIZQXGULJSVIJ-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@@H]1CCCC[C@@H]1C	799755681	PIPNGVXNDBUYGB-XJKSGUPXSA-N	304.434	3.596	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@H](c3cccnc3)C2)c(O)c1	799875987	IGBHONIGYPDVBB-AWEZNQCLSA-N	323.396	3.539	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	802830091	IZYUDCVCXUZUNT-SNVBAGLBSA-N	313.323	3.846	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)/C(F)=C/C1CCCCC1	805472217	BGQXEMKGNLXUCV-KAMYIIQDSA-N	318.396	3.621	50	20	DHGD	
CCCC(=NNC(=O)c1cccc2cccnc12)c1ccccn1	814823936	CCBDBRFKEHMNMW-UHFFFAOYSA-N	318.380	3.564	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccnc2cc(Cl)ccc12	819837047	ZMVCIJPGZBKVLX-UHFFFAOYSA-N	303.793	3.934	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CC12CCSCC2	831243409	LSLAREIUALUZGM-CQSZACIVSA-N	304.459	3.534	50	20	DHGD	
COc1ccc(-c2ccccc2C)cc1C=NNC(=O)C1CCC1	841626796	UOILGPHSXSJRCU-UHFFFAOYSA-N	322.408	3.921	50	20	DHGD	
Cc1cc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)on1	844334493	FGFZGDXWVGDLPK-CQSZACIVSA-N	310.514	3.969	50	20	DHGD	
Cc1oncc1CN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844337864	VLLCVIUUIOGZFA-HNNXBMFYSA-N	310.514	3.969	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(Cc2ccc(Cl)cc2)CC1	848082187	BRTKMYZHFBLKJA-UHFFFAOYSA-N	320.647	3.925	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cncc(OC)c2)c1C	849176221	IXLVVWSTOFVGMO-PXNMLYILSA-N	323.396	3.708	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C1CC(c2ccc(F)cc2)C1	855370022	KPICNOLYEATPKN-UHFFFAOYSA-N	316.351	3.910	50	20	DHGD	
C=C(CBr)COC(=O)/C=C(\C)c1cccs1	856982216	CSDWTMPLPIJJCI-UXBLZVDNSA-N	301.205	3.646	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081529	NDFOXEKYRBXBSF-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1c[nH]cc1C1CC1	879241044	ICEJGXLXIFFNMO-UHFFFAOYSA-N	309.291	3.668	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)cc1	1318777753	GJTMDFGKPNSTDE-UNOMPAQXSA-N	323.417	3.822	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccccc2C)o1	1318983083	BVSCDONLVPWIAL-RAXLEYEMSA-N	309.321	3.555	50	20	DHGD	
CC(C)CCC(=NNC(=O)Nc1ccc(C(=O)O)cc1)C1CC1	1776045228	GXMHVBBVPCLUGA-UHFFFAOYSA-N	317.389	3.709	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1	5131252	SUNAXJBPISETBP-XNTDXEJSSA-N	322.364	3.563	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccc(F)cc1	61375802	ZNXIGLSZQXBHQG-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
Cc1nnc([C@H](C)OC(=O)CCCC[C@@H]2CCSS2)o1	68507329	UHDQCJVHFHZHLE-GXSJLCMTSA-N	316.448	3.696	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	103274850	STWLBEQACMZHFT-KTKRTIGZSA-N	306.287	3.651	50	20	DHGD	
O=C(NNc1ccccc1)c1cnc(-c2ccccc2F)s1	111554111	NQJOPKPNBNSAKV-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)NNc1ccccc1Cl	120723301	FRVBRUKFZCVJEY-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cccc2ccccc12	123520397	VJUHOKBOPAPZET-UHFFFAOYSA-N	322.324	3.897	50	20	DHGD	
CN(C)Cc1cccc(NC(=O)NNc2ccccc2Cl)c1	146210287	IARBHQNPGGCNNL-UHFFFAOYSA-N	318.808	3.550	50	20	DHGD	
C=CCCCCCN(C)C(=O)c1c(C)nn(CCCl)c1C	156721879	MAQAUZIYIFOYON-UHFFFAOYSA-N	311.857	3.557	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H](C)Sc2ccccc2Cl)c1	176759643	XJQJWWSXEPHBHR-LLVKDONJSA-N	321.833	3.667	50	20	DHGD	
O=C(/C=C/Sc1ccccc1)NNc1cc(F)c(F)cc1F	178538998	WOEZAJRPWTXHHF-VOTSOKGWSA-N	324.327	3.853	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2o1	178548697	LSCNCGJGSQDVOU-ATDKOCKZSA-N	313.353	3.535	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccn1	181394896	DFYWHCPESFRUHC-CYBMUJFWSA-N	312.417	3.766	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(C)c2ccccc2n1	184316896	XGQSOGTZVRKNOR-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
C[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)c1ccccc1	204856781	MUWCKDODOBYSRI-AAEUAGOBSA-N	312.251	3.716	50	20	DHGD	
COc1nccc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1	295760668	AVSUGQAJOLODLU-SDNWHVSQSA-N	321.380	3.573	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnccn2)cc1	490974768	ODPSWAOIBCAENK-NWFCWYBLSA-N	306.369	3.536	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1C	491079522	APYROVWPBFQFRG-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
CCCN(N=Cc1cnc2ccccc2n1)C(=O)OC(C)(C)C	495809214	IVMUVCSALAHHKA-UHFFFAOYSA-N	314.389	3.611	50	20	DHGD	
N#C/C(=C/c1sccc1Cl)C(=O)c1ccc2c(c1)OCO2	588600730	JYQGCBCPVWMCDA-POHAHGRESA-N	317.753	3.920	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)c1F	588619071	KTFMWMXDMBIXDR-XFXZXTDPSA-N	314.291	3.519	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	728699185	RBDSBJODJVVTOR-QQFZQELXSA-N	320.323	3.906	50	20	DHGD	
Cc1ccc2c(c1)C(=NNC(=O)c1ccc3ccccc3n1)CC2	730945487	LBBDZKADUBJFCX-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
CC1(c2ccccc2)CC(=NNC(=O)Cc2ccccc2F)C1	731316904	OEWRYSCORKGXSU-UHFFFAOYSA-N	310.372	3.592	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(C)s1	741764912	FIASHCLDQUWWFF-UHFFFAOYSA-N	316.430	3.668	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1Cc2ccccc2S1	746699905	LUAQHJCRUYDPLJ-AWEZNQCLSA-N	322.792	3.639	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1c(F)cccc1F	756017974	PQKFABSPVHTHLA-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
Cc1cccc2c1CN(/C(=C/C#N)c1cccc([N+](=O)[O-])c1)CC2	759881044	TUBYQFPXSDMITL-UFWORHAWSA-N	319.364	3.826	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c2cccnc12)c1ccccc1	760214915	BLEUIBKJPQJBRJ-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)c1ccc2c(c1)OCCO2	767491483	NVBMDTWDEJWYLK-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
N#C/C(=C\c1cc(O)ccc1[N+](=O)[O-])c1ccc2ccccc2n1	772806751	OHMDSOYZRFFARQ-NTEUORMPSA-N	317.304	3.913	50	20	DHGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)C1CCCC1	775275844	LIYKAOWRXACCBL-MRVPVSSYSA-N	302.205	3.658	50	20	DHGD	
CCc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	775432398	CMUGCKRKXDZHET-UHFFFAOYSA-N	324.306	3.811	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(Oc2ccccc2)cc1	791222429	IVQYDWJQHCFDSU-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
O=C(NCCc1cccs1)NN=Cc1ccc(C(F)F)cc1	794499770	PRPKIECEOIJJLA-UHFFFAOYSA-N	323.368	3.562	50	20	DHGD	
O=C(NN=C1CCCC12CCOCC2)c1ccc2ccccc2c1	799876517	SCTVTQSWPGAJJX-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)Nc2ccccc2)CC(C)(C)C1	801990313	DWZGHCAQXIAMMY-UONOGXRCSA-N	317.433	3.692	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)CC2=CCCCC2)cc1C	812719502	KYTMZORSMWQICV-UHFFFAOYSA-N	316.401	3.505	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc2n[nH]cc2c1	812769896	DIWVCCMBCQZBFJ-UHFFFAOYSA-N	322.412	3.681	50	20	DHGD	
O=C(NN=C1CC(c2cc(F)cc(F)c2)C1)c1ccccc1	814685884	QHYFXPWNWDJZRP-UHFFFAOYSA-N	300.308	3.628	50	20	DHGD	
Cc1cccc(Oc2ccc(NC(=O)NN(C)C3CC3)cc2)c1	823977652	CGJXPYUEQDQPBQ-UHFFFAOYSA-N	311.385	3.918	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2c(C)cccc2Cl)CCO1	836933649	MNZFYEYNTXJTKE-QWHCGFSZSA-N	310.825	3.687	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CCC(F)(F)C1	838348090	DDBQLTXKGWYSDD-SSDOTTSWSA-N	309.143	3.872	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1	846378894	IYRSMAJMJJFCRR-UHFFFAOYSA-N	306.715	3.992	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@H](O)c2ccccc2)C1	852523031	TXFJCIQVPAWNFC-IRXDYDNUSA-N	321.537	3.816	50	20	DHGD	
COC(=O)N(C)N=C(C)Cc1ccc(Cl)c(C(F)(F)F)c1	853343834	UNDRPRXSTRANLO-UHFFFAOYSA-N	322.714	3.975	50	20	DHGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)OCC(F)(F)F)C1	853429807	RZODEXOGGSXHFI-AWEZNQCLSA-N	314.307	3.773	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ncoc2C(F)(F)F)cc1	854884669	MPPNOJNHZKYZJE-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccnc(Cl)c1	855468322	TYTYGXJKRXOTNB-OAHLLOKOSA-N	317.820	3.693	50	20	DHGD	
CCn1ncc(C)c1NC(=O)CCCC[C@H]1CCSS1	855752540	QRYMWCJOQXJTSJ-LBPRGKRZSA-N	313.492	3.864	50	20	DHGD	
C[C@]1(CNC(=O)Nc2cscc2Cl)C[C@@H]1Br	880975039	KXWJJVMEIVORBP-WCBMZHEXSA-N	323.643	3.697	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1ccccc1C(F)(F)F	920947131	CPNDHUXQJOZUBF-UHFFFAOYSA-N	322.286	3.565	50	20	DHGD	
C[C@H](CCC(C)(C)C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1116099388	YVTWBLGWVDHFKX-GFCCVEGCSA-N	321.469	3.615	50	20	DHGD	
O=C(NN=C1CCCNc2ccccc21)c1ccccc1Cl	1116669547	SWUGCMSLJSWUMQ-UHFFFAOYSA-N	313.788	3.680	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2ccccn2)cc1Cl	1318353545	SPQUAQIKYMDMNF-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
N#C/C(=C\c1sccc1Cl)c1nc(N)c2ccccc2n1	1326580912	UZSVCVMZROLSMS-VQHVLOKHSA-N	312.785	3.991	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cc(C(=O)O)co3)c[nH]c2c1	1600490362	RJRSJSPHUBKDJY-VZUCSPMQSA-N	320.304	3.557	50	20	DHGD	
N#C/C(=C\c1ccc2ccccc2c1)C(=O)NCc1ccco1	5069280	ZQBPVLSKZOHCAR-GZTJUZNOSA-N	302.333	3.656	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1OC	7164676	YIQOQIFNFFAILT-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccnc1Cl)c1ccccc1	85684142	RTIRCDWSPZJWTI-CYBMUJFWSA-N	303.793	3.762	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1cccc(N2CCCC2)c1	88774524	ACMZHPOCTYMFFT-OAHLLOKOSA-N	324.428	3.674	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2c(F)cccc2F)c(C)o1	118572925	LKNXRQSRFIFNJC-SECBINFHSA-N	309.316	3.562	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2ncc(Cl)cc2Cl)c1	132430730	MGENNKIFFBEVST-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccc(C#N)cc3)oc12	155717868	LFVPIKLXFXZGMB-UHFFFAOYSA-N	319.364	3.987	50	20	DHGD	
I[C@@H]1CCC[C@@H]1OCC1CCCCC1	158384156	RCIDPCYIIZBOJP-NEPJUHHUSA-N	308.203	3.939	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C/SCc1ccco1	160705316	UCQWSYGLTDSDMS-SOFGYWHQSA-N	306.362	3.617	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1cccc(Cl)c1	171274812	DUUZTEGTDIYIKR-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
CS[C@@H](C(=O)NNc1cc(C)ccc1C)c1ccccc1	178987811	PQMVBFNRIQFYCC-MRXNPFEDSA-N	300.427	3.851	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccncc3)c(F)c2)cc1	180462276	CBGRCGRTPJIPQE-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@H](C)CC)c1C	192631755	PJZAEAKRFAIYIW-VVBXCHJUSA-N	301.434	3.679	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)c1	207692010	OXYMXLRJQCZKFU-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1ccccc1F	213314737	UYLQXCRFJRAXQT-XNTDXEJSSA-N	320.323	3.690	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccc(O)c2)c1C	213424983	PJGJFRGGTDZVBN-YBEGLDIGSA-N	306.365	3.786	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2nc(C3CC3)cs2)cc1	296551605	JTNRLMNJIYPZNN-UHFFFAOYSA-N	318.402	3.568	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)[C@H](C)c1ccccc1	490910529	RIWHZPNFGMUHCP-XOTFQPJVSA-N	320.392	3.608	50	20	DHGD	
Cc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F	731485961	KIWYIKNALNZVHU-UHFFFAOYSA-N	314.404	3.801	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(C)n(CC)c1C)c1ccccc1	731931258	CSAJOVWFIJFSEH-SFHVURJKSA-N	311.429	3.769	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1ccc(SC(F)F)cc1	734976847	RLYVVHZOHHSGRN-UHFFFAOYSA-N	321.352	3.550	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2ccc3c(c2)CCC3)c(C)c1	743765408	NOQWCFCQYZIABW-UHFFFAOYSA-N	324.424	3.623	50	20	DHGD	
Cn1cc(C(=O)NN=CCCc2ccccc2)c2ccccc21	744782434	QSHGHZQPVYFIMC-UHFFFAOYSA-N	305.381	3.527	50	20	DHGD	
O=C(NN=Cc1coc2ccccc12)c1ccc(O)c(Cl)c1	746576787	QWYKRWBGFXYZTL-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)C1CCOCC1	755886066	JDYBPCPGUQRMHF-UHFFFAOYSA-N	315.200	3.526	50	20	DHGD	
COc1cc(C)ccc1NC(=O)[C@@H](Br)C(C)(C)C	767307256	WMOOGZGINKHKHQ-GFCCVEGCSA-N	314.223	3.752	50	20	DHGD	
C[C@H](CBr)CN1C[C@H](C(F)(F)F)CC[C@@H]1C	770669412	WCVTUXGZXAUSAO-KXUCPTDWSA-N	302.178	3.680	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2c(C)nn(C)c2Cl)ccc1[N+](=O)[O-]	774560473	YONOPDVAGNDLGJ-GHXNOFRVSA-N	316.748	3.663	50	20	DHGD	
CC(CN1CCCCCC1)=NNC(=O)c1cccc2ccccc12	777438513	YPUPYYURYODXJF-UHFFFAOYSA-N	323.440	3.822	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cn(C)nc1C1CCCCC1	783806389	FZOHOJUPIKYSOD-UHFFFAOYSA-N	324.428	3.540	50	20	DHGD	
N#C/C(=C/c1ccc(OCC2CC2)cc1)C(=O)NC1CCCCC1	790102136	YMFKWTGUBFETKT-ATVHPVEESA-N	324.424	3.831	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)NC(C1CC1)C1CC1	790133582	DLRKGJSPCYSGEI-UHFFFAOYSA-N	314.216	3.808	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(Cl)c(OC)c2)c1C	790176072	SZTFRWUGQJZLAM-UHFFFAOYSA-N	321.808	3.544	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790224080	SAHUEWHKKWWCGL-FLIBITNWSA-N	323.320	3.524	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H]1C[C@H]1c1cccc2ccccc12	791215384	RYVAVMKSHIGQAO-ZWKOTPCHSA-N	317.392	3.790	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)ccn2)c(C)cc1Cl	793784542	WURVQAPQGSCRCI-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1ccc(F)cc1	794940088	VXBPRHCJMWBQEI-JXMROGBWSA-N	303.239	3.599	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1C[C@H](c2ccccc2)C1	798115640	XRBMVTDFLILGNK-SHTZXODSSA-N	313.376	3.706	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(Cl)cn1	799414818	QJTKRYQTFNQZAJ-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H]1CCCC(F)(F)C1	800719227	SKJASTULOHKOQT-LLVKDONJSA-N	315.339	3.586	50	20	DHGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)c1cccc(Cl)c1	810217704	AHYNVZMBWOAIOU-GHXNOFRVSA-N	315.712	3.509	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)n(C(C)C)c2C)cc1F	856231714	JKDPYOGHLHXISD-UHFFFAOYSA-N	303.381	3.890	50	20	DHGD	
C=CC(C)(C)C(=O)NNc1ccc(Cl)cc1Br	856234898	KYQYRQUHBXPJOA-UHFFFAOYSA-N	317.614	3.758	50	20	DHGD	
Cc1ccc(C(=O)NC[C@]2(C)C[C@H]2Br)c(Cl)c1	857391885	VEROLJXLHFLJIX-YPMHNXCESA-N	316.626	3.552	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)c2ccccc2C(F)(F)F)n1	862523075	QLQPPWBQIRVLAA-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
CCN(CCO)N=Cc1cccc(S(F)(F)(F)(F)F)c1	905483355	HMTUCISUVXOVHG-UHFFFAOYSA-N	318.311	3.992	50	20	DHGD	
CC(C)CCOc1ccc(C=NNC(=O)C2CCCC2)cc1	914836428	LOGKOCVSRBBBKF-UHFFFAOYSA-N	302.418	3.752	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1ccc(O)cc1	917531424	QDOYZWDLHJINNS-UHFFFAOYSA-N	310.397	3.767	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)c1nc(-c2ccncc2)cs1	920068981	XKMIEZYSWOELLY-QPEQYQDCSA-N	307.382	3.609	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(C)CCc1ccc(C)cc1	920373730	NTARBYQZDBEDCQ-UHFFFAOYSA-N	324.424	3.671	50	20	DHGD	
Cc1csc([C@H](C)C(=O)NNc2ccc(Cl)c(C)c2)n1	928339754	JNLUVIKMKZVLHW-SNVBAGLBSA-N	309.822	3.660	50	20	DHGD	
CCOc1ccc(NC(=O)C2CCC(Cl)CC2)cc1OC	1346234558	NXCXMOAWGRRLLY-UHFFFAOYSA-N	311.809	3.830	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1	1549080675	OCKGEZPPBSXWBM-RTBURBONSA-N	322.408	3.613	50	20	DHGD	
CC(C)(C)CC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1589742123	NGFVZQIPCWCGKM-UHFFFAOYSA-N	323.345	3.661	50	20	DHGD	
C[C@H]1Cc2cc(/C=C(/C#N)c3nc4ccccc4n3C)ccc2O1	6908613	UJPPDNPPGYFFRV-RERGGYADSA-N	315.376	3.961	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C)c(C)c2)cc1	44026361	HBMMILOZGDOABI-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
Cc1ccc(-c2cnc(CCC(=O)NNc3ccccc3)o2)cc1	75477191	GEGIWHRLEAOYEA-UHFFFAOYSA-N	321.380	3.726	50	20	DHGD	
CCSc1cc(C(=O)NNc2ccc(Cl)cc2)ccn1	120235166	RSUANWKFUBBWNX-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2cccc(C(F)(F)F)c2)cc1	120701551	VIKXPAAQAWYRIL-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)nc1	122181114	UGOSFTXTIKZAME-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1[nH]ccc1C(=O)NN(Cc1ccccc1)c1ccccc1	175079189	ZNODVVJAUUIJPG-UHFFFAOYSA-N	305.381	3.675	50	20	DHGD	
CSc1ccc(C(=O)NNc2cccc3cnccc23)cc1	178477382	VLFDRDUOJVFCFO-UHFFFAOYSA-N	309.394	3.714	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	179177760	UZVOZYZIBFMAHI-VZUCSPMQSA-N	324.771	3.653	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(Cl)cc2Cl)no1	179299082	CLGITSYFWMGWFJ-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)C(C)(C)C)c2C)no1	211434921	CXACSHVMNKZWNM-DHDCSXOGSA-N	311.385	3.913	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1)C1CCCCC1	255049333	NPXMWZZSYMWSSP-KPKJPENVSA-N	322.330	3.802	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)c1	281136530	ZGXCCTQVKGCLOF-OQLLNIDSSA-N	308.385	3.627	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CCCC(F)(F)C1	282613858	XHNXJGBKWBHTRA-VIFPVBQESA-N	320.286	3.557	50	20	DHGD	
COc1cccc(CN(C)C[C@H](CBr)C2CC2)c1	701860105	YQCJHLXXPCJONG-AWEZNQCLSA-N	312.251	3.548	50	20	DHGD	
Cc1ccc(C(C)(C)CNC(=O)NN(C)c2ccccc2)cc1	728595921	DDHAKOZQXDBBFT-UHFFFAOYSA-N	311.429	3.623	50	20	DHGD	
O=C(NN=Cc1ccccn1)Nc1ccc(-c2ccccc2)cc1	741765853	LNYIBGDVEHANLN-UHFFFAOYSA-N	316.364	3.904	50	20	DHGD	
CC(C)C(=NNC(=O)c1cccc(Br)c1)C1CC1	741767998	QPEUMHLKEZFJMD-UHFFFAOYSA-N	309.207	3.601	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1	747051273	NXHCWOHMNYWMMA-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
CN(NC(=O)c1cc(-c2ccccc2)ns1)c1ccccc1	749185100	OTXIOIOVZIJTRO-UHFFFAOYSA-N	309.394	3.591	50	20	DHGD	
CCC/C(C)=C/C(=O)NNC(=S)Nc1ccccc1C(C)C	762804748	YDWJEEFJWFWUMF-ACCUITESSA-N	319.474	3.874	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(F)c(F)cc1F	767717117	HRNPDXFQXRFJMJ-WYTSRKDSSA-N	322.330	3.706	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@H]2c2ccccc2)cc1	769779654	GMAHZSXMQAXIHF-SFHVURJKSA-N	322.408	3.678	50	20	DHGD	
C[C@H](CBr)CN1CCc2cccc(F)c2[C@@H]1C	770651715	CLCZZTBPJAJEHC-MNOVXSKESA-N	300.215	3.776	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1ccc(Br)cc1F	780657408	QRIXAVVTFYDEDU-IUCAKERBSA-N	317.202	3.714	50	20	DHGD	
CC[C@H](C)[C@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	787379369	APAZJULYQGTAFK-RULJAHQOSA-N	312.413	3.726	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccccc2)C[C@H]1Oc1ccccc1	788928672	MNYXNGSMCHNZHP-QGZVFWFLSA-N	308.381	3.650	50	20	DHGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)ccn1	790008827	WYBGVPOJTCLLBF-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(C(C)(C)CC)cc1	790597952	HSYSMEHXRJKFCC-LBPRGKRZSA-N	305.422	3.573	50	20	DHGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)ccn1	790946327	ZUKAQXIXGJERKS-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@H]2C2CC2)cc1	793404339	HBQNVWSUAUXIFD-MUMAZLPKSA-N	324.424	3.639	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1/C=C(/C#N)C(=O)C1CCOCC1	794956914	BKGIQMRUUWZJSK-ZROIWOOFSA-N	323.314	3.917	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cccc(N(C)C)c1	797400382	ZLBMSAXVRZYGFC-UONOGXRCSA-N	301.434	3.685	50	20	DHGD	
COCC[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	799876734	ZJEUWOLVDARRQX-HNNXBMFYSA-N	310.397	3.762	50	20	DHGD	
CCCN(NC(=O)C[C@@H](C)c1ccccc1)C(=O)OC(C)(C)C	804594092	MWJFOZFNCARIQZ-CQSZACIVSA-N	320.433	3.859	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	809787153	VCPHTGPSJNEZET-GJZGRUSLSA-N	315.300	3.751	50	20	DHGD	
Cc1cncc(CNC(=O)NNc2c(C)cccc2C(C)C)c1	813124832	UOTANCXVYWZMJZ-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
N#Cc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)o1	814256931	YXBMBWRVUCRYCA-UHFFFAOYSA-N	317.348	3.503	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(Cl)n2)oc2c(C)cccc12	817012072	WVCQVFJAGLDNDV-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2cc3ccccc3o2)cc1	817904837	SOVVFVUGCIYNMA-UHFFFAOYSA-N	310.353	3.517	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	830092783	ITVSVUCZNSBLGQ-UHFFFAOYSA-N	315.417	3.680	50	20	DHGD	
CCC(=NNC(=O)c1ccc(CN(CC)CC)o1)C1CCCC1	834950114	PLWVLQRSUSQPQB-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
COC(=O)c1cc(NNC(=O)[C@H](C)CCC(C)(C)C)ccc1F	837037567	VDBFOMWHOJVHFA-LLVKDONJSA-N	324.396	3.518	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1c(F)cccc1F	839424425	OQMGJMKEWHWCON-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	853297737	KBYXNAJYEYFTHL-OCCSQVGLSA-N	323.318	3.643	50	20	DHGD	
CO[C@H](C(=O)NNc1ccc(C(C)C)cc1)c1ccc(F)cc1	861927994	VHNVDNGOBHISGL-KRWDZBQOSA-N	316.376	3.780	50	20	DHGD	
CCC(=NNC(=O)[C@H](CC)c1ccccc1)c1ccc(N)cc1	863092701	GYNZYVNHZQELHY-QGZVFWFLSA-N	309.413	3.693	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cccc(Br)c1Cl	872334912	PSCCDTQSNYMDHT-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@@H](C)c1c(C)n[nH]c1C	885124670	BBNZSVHWVLZPIB-SNVBAGLBSA-N	320.824	3.625	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CC[C@H]1CCc2ccccc21	908221903	DTLYPHAGFWLZRW-GFCCVEGCSA-N	300.229	3.759	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)c1cccc(Cl)c1	916278582	VTIHWJWSJFDGIE-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
Cc1ccc(COc2ccc(C=NNC(=O)C(C)C)cc2)cc1	916327206	FBLYUERTGGYBNA-UHFFFAOYSA-N	310.397	3.680	50	20	DHGD	
CCNC(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	920825304	RHZSWQZQWOYYRW-UHFFFAOYSA-N	307.806	3.722	50	20	DHGD	
CN(Cc1cc(C(C)(C)C)n[nH]1)C(=O)c1cccc(CCl)c1	1335874825	MCECFQTXVMLVNT-UHFFFAOYSA-N	319.836	3.718	50	20	DHGD	
CC(C)n1ncc2c1[C@H](NC(=O)C1CCC(Cl)CC1)CCC2	1346579496	GFCBYOSNTXAYGQ-PESDSKBTSA-N	323.868	3.755	50	20	DHGD	
CCCNC(=O)c1ccccc1NC(=O)C1CCC(Cl)CC1	1527420013	HIAPUNZLOOJGIG-UHFFFAOYSA-N	322.836	3.563	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1595667078	ZNQJPHHKYSXENZ-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2F)o1)C(=O)N1CCCC1	20620430	UHKDXWBFGVYZEP-ACCUITESSA-N	310.328	3.615	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1	63275852	UQCVEUXKZJQMAF-JYRVWZFOSA-N	309.394	3.875	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2cccc(Cl)c2)c1	84580586	ISHNKIOROZCILW-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@@H](C)CC1CCCC1)c1ccccc1	114274491	ZMRUJXVVTWOAFC-WMLDXEAASA-N	316.445	3.544	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	119030895	UKJZQTOTQDQPPL-CABCVRRESA-N	302.324	3.520	50	20	DHGD	
CSCC[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	120512132	LGTSMKYTTSTMCC-NWDGAFQWSA-N	307.550	3.958	50	20	DHGD	
CCC[C@H](C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	124700207	LXYXPOUUPXKSLR-JTQLQIEISA-N	304.312	3.507	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1F)c1ccccc1Cl	153001617	SDBMZZKFVIYZHE-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)cn1	154275253	AZIKJWZXHZDQCY-ZSOIEALJSA-N	314.291	3.781	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	160155965	LGAPDWDPTDIDBM-XFFZJAGNSA-N	320.179	3.878	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccncc1Cl	178871759	UGXLAJYKVRPUFJ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
COc1c(C)ccc(NC(=O)NNc2ccccc2F)c1C	179734593	MSYVXYPBGHDECC-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc(OCC2CC2)cc1	179856199	JYPWSWJQPVFGDM-UHFFFAOYSA-N	315.348	3.763	50	20	DHGD	
CC(C)c1nccn1CC(=O)/C(C#N)=C1/Nc2ccccc2S1	182814261	RWPVPUOXQCPDJL-ATVHPVEESA-N	324.409	3.529	50	20	DHGD	
CCSc1cccc(/C=C(/C#N)C(=O)Nc2nccs2)c1	490875178	HPLAQGKQYRNYFY-WQLSENKSSA-N	315.423	3.801	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H](c1cccs1)C1CC1	491173815	FRQUUDRRNHRYLE-SHRNQRGKSA-N	324.405	3.628	50	20	DHGD	
Cc1cc(C=NNC(=O)CCCc2ccccc2)c(C)n1C1CC1	727688936	JPXXFVRMSJNFCE-UHFFFAOYSA-N	323.440	3.913	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(C)c(F)c2)n1	731490006	PCCFAWLXQFLADS-WUXMJOGZSA-N	316.357	3.832	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc2cccnc12	734249632	DORFDYHUBUWCQL-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1	734365679	PPOXOUFSTKMWKL-JTQLQIEISA-N	306.312	3.721	50	20	DHGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(-c2cccc(C)c2)cc1	735461361	GRXMLMYJOPHXCQ-XMHGGMMESA-N	320.392	3.722	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1cc(F)c(F)cc1F	750243184	XRKWXPWZFGUMSN-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
CCc1ncc(C=NNC(=O)Cc2ccc3ccccc3c2)s1	752165006	RTOQAOXESJLAII-UHFFFAOYSA-N	323.421	3.552	50	20	DHGD	
CCCC1CCC(C=NNC(=O)Cc2csc(C)n2)CC1	755541086	GIYWARPGVCQMFE-UHFFFAOYSA-N	307.463	3.703	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1ccc(O)c(Cl)c1	764691649	FQVXTDXPWNFCAQ-LBPRGKRZSA-N	308.809	3.978	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	767717103	HRNPDXFQXRFJMJ-BOBSFOGOSA-N	322.330	3.706	50	20	DHGD	
CCCCCn1nc(C)cc1NC(=O)NNc1ccccc1F	770055234	FKZSVXBDGZREIE-UHFFFAOYSA-N	319.384	3.669	50	20	DHGD	
C[C@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	771462893	LCDLXAYDLBHCGI-LNZRHUEMSA-N	311.385	3.971	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1nccc2sccc12	776230954	DGYDQNKRDLZONN-UHFFFAOYSA-N	319.430	3.502	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C(F)(F)F)cc2O)c1	776488113	NNQMOSJBUCQNTR-UHFFFAOYSA-N	324.302	3.785	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(Oc3ccccc3)o2)o1	779774692	KDKLVRFTPPQHNG-UHFFFAOYSA-N	310.309	3.737	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2csc(C3CC3)n2)cc1	782073821	NAAYDYFAZLABOV-NVNXTCNLSA-N	324.405	3.979	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1ccc(Cl)cc1	790657569	VVKMBQNFNFRJQX-VIFPVBQESA-N	304.868	3.711	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1ccc(C(C)C)cc1	790877508	DBOKYTWYCDMOOL-UHFFFAOYSA-N	312.504	3.963	50	20	DHGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)NCCc1ccccc1	794688178	KBRIFXQYPSSSBS-QGOAFFKASA-N	316.360	3.699	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(SC)cc1	795395103	VCZZFQQOWVXVGS-UHFFFAOYSA-N	301.205	3.516	50	20	DHGD	
C=C(CBr)COC(=O)c1c[nH]cc1-c1ccccc1	795442556	GZDZXBSCKPHFFR-UHFFFAOYSA-N	320.186	3.790	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1OCC	798231336	XNLJCGHLCPEMBB-DHDCSXOGSA-N	311.337	3.867	50	20	DHGD	
Cc1cc(NC(=O)NNC(=O)CC(C)(C)C)cc(C)c1Cl	799518938	WGSZUTXDJMAWSJ-UHFFFAOYSA-N	311.813	3.546	50	20	DHGD	
CCC[C@@H](C(=O)OC[C@@H](C)CBr)c1ccccn1	799532125	LGPSWDMTTWQSCF-NWDGAFQWSA-N	314.223	3.540	50	20	DHGD	
Cc1cc(C)nc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c1	800914076	SENXVWMVDVQFFI-UHFFFAOYSA-N	322.320	3.979	50	20	DHGD	
CO[C@@H](COC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1	801861440	HGGXGAJABZHTQZ-FSEPTYSPSA-N	307.349	3.524	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1CCCCCC1	819742514	AKRITTDLTFDVOT-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1CCC[C@@H]1c1ccccc1	826786585	ASLQEHOACCDLKV-KGLIPLIRSA-N	315.804	3.762	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1cc(C#N)ccc1Br	855617360	GUBYQQAWBLNADM-MDZDMXLPSA-N	322.206	3.510	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)o1	913187699	KWLYFYQNDOPEBK-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@H](C)Oc1cccc(C)c1C	916336927	SYASMAXISKBFTD-INIZCTEOSA-N	310.397	3.529	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCCC2)NNc1ccc(Cl)cc1	916551523	ZDSLSQKJCJRPBT-UHFFFAOYSA-N	314.816	3.905	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1ccc2ccccc2n1	917022325	IDCLYYXWCXSHDJ-UHFFFAOYSA-N	307.353	3.566	50	20	DHGD	
CCC(C)(C)C1CCC(=NNC(=O)NCC(F)(F)F)CC1	917552761	WSLZUZMCJFWREO-UHFFFAOYSA-N	307.360	3.830	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C/C=C\c1ccco1	920366639	UAAKYKSPNVGDBL-YXOQZHICSA-N	318.373	3.716	50	20	DHGD	
COc1ncc(-c2ccc(OCCCCSC#N)cc2)cn1	1334780319	VBZNIEKSDLQBBR-UHFFFAOYSA-N	315.398	3.525	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC[C@@](F)(c2ccccc2)C1	1347557556	OOCISSCTSZCJOQ-PGEKIEPBSA-N	309.812	3.881	50	20	DHGD	
O=C(O)c1cc(NC(=O)C2CCC(Cl)CC2)ccc1Cl	1602280294	BYZYGRMFTPEDNE-UHFFFAOYSA-N	316.184	3.774	50	20	DHGD	
CC(C)[C@@H]1CC[C@H](C)CC1=NNC(=O)c1ccc(C(=O)O)cc1	1776098940	HLEMOIJJKVLDPJ-WFASDCNBSA-N	316.401	3.563	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccc(Cl)cc1Cl	85685197	NRXILXSOMJASCV-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	110340633	LKRCTENDXDGMBL-GOEBONIOSA-N	304.434	3.544	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(Cl)cc1	114111855	TUQOIZHDWCOGLU-UHFFFAOYSA-N	312.200	3.644	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cc2cnn(C(C)C)c2nc1Cl	128086633	NCCNPGIRXDTCGC-LFYBBSHMSA-N	316.792	3.798	50	20	DHGD	
C/C(=C/C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1	132446638	IUVAALWKMXHNKO-YFHOEESVSA-N	322.195	3.935	50	20	DHGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1cc(C)ccc1F	150837374	KDBROCDFNUUGHU-HNNXBMFYSA-N	320.339	3.574	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccc(C#N)cc1	155235218	AYQJCKJEKDCWEK-INIZCTEOSA-N	311.410	3.572	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Cl)c(F)c1	158930913	XJFBCWWVYROQLQ-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CN(Cc1ccccc1F)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	176982993	CTLBJTKNUXWWDB-LICLKQGHSA-N	311.316	3.730	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CC(C)C)cc1	178691579	ZWQAVTFXDHDTNQ-LUYJPIOASA-N	300.402	3.543	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc3ccc(F)cc3c2)c1	179487007	WYQNEWTUZXMGPM-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CC(=O)NNC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192263034	CDDGKAQBOGEMGD-UHFFFAOYSA-N	319.255	3.517	50	20	DHGD	
CCOC(=O)NN=C1CCCc2nc(-c3ccccc3)sc21	254343010	SMQOBQCXYVOUMA-UHFFFAOYSA-N	315.398	3.597	50	20	DHGD	
COC(=O)N(C)N=C1CCC[C@@H]1c1ccc(OC(C)C)cc1	496531819	GLCBJISPPLXNPJ-OAHLLOKOSA-N	304.390	3.796	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc2c(c1)CCC(=O)N2C	588508942	WZQCWYSVYWAKEQ-XDUBLRSXSA-N	310.397	3.508	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)c1ccc(Cl)nc1	730947016	YQNSUYGOMPHYNU-UHFFFAOYSA-N	307.806	3.535	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1cnnc2ccccc12	734865226	PIXWUPOQBSUVPL-AWEZNQCLSA-N	320.396	3.575	50	20	DHGD	
Cc1ccoc1/C=C(\C#N)C(=O)Nc1nc(C(C)(C)C)cs1	742350029	NMDGWMXRSHIABQ-YRNVUSSQSA-N	315.398	3.888	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]1c1ccccc1	747619129	HVOIBRJDGOMDPI-DAIOKFOQSA-N	305.337	3.906	50	20	DHGD	
O=C(C=C1CCCC1)NNc1ccc(F)cc1Br	748081361	WAVXEHDTEFSHCS-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2ccccc2Cl)c(C)c1	748315695	XERSOQDDQKHSGJ-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNC(=O)c2ccc3ccccc3c2)C1	749848998	RXTVQXKDJCCRHZ-GJZGRUSLSA-N	324.424	3.817	50	20	DHGD	
O=C(C[C@H]1CCCCO1)NN(c1ccccc1)c1ccccc1	755076466	ZMSAHINRAXXROF-GOSISDBHSA-N	310.397	3.815	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C1CCCCC1(C)C	757559311	ALWAKXHAIALXBB-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
COc1ccc(C[C@@H](C)C=NNC(=O)CC(C)(C)C)cc1F	758110133	VAYWJXQAJSGQPP-GFCCVEGCSA-N	308.397	3.551	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(O)cc1)c1cccc(Cl)c1	763340649	ZFMVMDMWAGVHQY-LLVKDONJSA-N	302.761	3.565	50	20	DHGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)NNc1cnccn1	769959255	YEZMJKOAUXUFGB-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
COc1cc(/C(C#N)=C/c2cccc(F)c2F)ccc1[N+](=O)[O-]	774562187	SAVIWBTYJVFRSZ-KPKJPENVSA-N	316.263	3.946	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NC1(Cc2ccccc2)CC1	775018974	CBUSCDJSORQKMO-CYBMUJFWSA-N	324.262	3.688	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ccc(CF)cc1	777105936	AESPFXGGIRJQBN-SXGWCWSVSA-N	311.312	3.512	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1ccc(F)cc1	777106858	ALHHGFVFCRQALS-UHFFFAOYSA-N	302.374	3.861	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)C1CCSCC1	777426684	HFMUONBCWKBPEK-UHFFFAOYSA-N	322.499	3.722	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cccc(Br)n2)sc1C	777918995	PMOKATQNEHPZGY-POHAHGRESA-N	320.215	3.982	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC[C@@H](COc2ccccc2)C1	780366609	UDSPUTCVYVFBJT-MLHZQLSASA-N	304.393	3.952	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@]2(C)CCCS2)cc1	780840584	DISYPZPEABNMSV-KRWDZBQOSA-N	321.490	3.896	50	20	DHGD	
Cc1cccnc1NNC(=O)c1oc2ccc(Cl)cc2c1C	791221627	YWYRPAYEIKZMLK-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1Cc1ccc(F)cc1	791449395	RUWZTBHFLRLWDZ-OAHLLOKOSA-N	312.226	3.784	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](F)CC1CCCCC1	796206711	ROOKGGNWSQFTAK-PWSUYJOCSA-N	309.219	3.869	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1[C@H]2CCC[C@@H]1Cc1ccccc1C2	807965287	QMEYJOQHMJWZDL-OKILXGFUSA-N	324.346	3.626	50	20	DHGD	
C[C@@]12CC3CC(C(=O)NCC(Cl)Cl)(C1)C[C@](C)(C3)C2	808130735	AEFMQYDPMIJKAL-LPQUYDBWSA-N	304.261	3.903	50	20	DHGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNc1ccc(Cl)nc1	810461427	ZDFJWHSGIPPXOY-FMIVXFBMSA-N	301.777	3.590	50	20	DHGD	
N#C[C@@H]1CCCC(=NNC(=O)Cc2ccc3ccccc3c2)C1	814808240	ZTPVYHGDNOIQKI-OAHLLOKOSA-N	305.381	3.568	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2c[nH]c(C(F)(F)F)c2)c(C)c1	815853368	HIBFYOAIXODBLQ-UHFFFAOYSA-N	311.307	3.716	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCCC1(O)CCC1	817644121	IRCBPMFEGNUAKS-ZDUSSCGKSA-N	317.520	3.512	50	20	DHGD	
Cc1c(C(=O)NNc2nccc3sccc23)ccn1C(C)C	825854854	PAWKYRXIRNSJMU-UHFFFAOYSA-N	314.414	3.744	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1c(F)cccc1Cl	828765641	DGBYRHAYPNNYAM-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
COC[C@@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	837143500	MQCIKFRYZAZHKG-KBPBESRZSA-N	317.520	3.728	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1cccc(Cl)c1Cl)OCC	838350688	YKXVXVFMKPRIQS-GFCCVEGCSA-N	317.216	3.808	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ncccc2C(F)(F)F)CC1	844134290	LFKMHCBJZBDUAK-NSHDSACASA-N	313.323	3.680	50	20	DHGD	
COc1cc(OC)c(/C=C(/C#N)c2nc(C)c(C)s2)cc1F	844548449	QZDOUAFZPWWHDW-XGICHPGQSA-N	318.373	3.980	50	20	DHGD	
CCC[C@@H](OCC)C(=O)NNc1c(Cl)cccc1Cl	860111897	CDFQGRBBYHSYCI-LLVKDONJSA-N	305.205	3.642	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccccn1)c1cccc(Cl)c1	860627785	PIKVFWWRKIUKHD-AWEZNQCLSA-N	303.793	3.762	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cccc(Br)c1Cl	872343614	INAVOBRGNDMULH-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
Cc1ccccc1[C@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	895290198	VVZGYDDHBPRSTB-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cn(CC)nc2C)c1C	899341652	GHQSUAWZTZIQAM-MHWRWJLKSA-N	324.428	3.830	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)cc2)cc1	916650414	MUARQLOQEZIJPH-YBEGLDIGSA-N	310.784	3.872	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H]([C@@H]2CCCCO2)C1	1335982594	SOOLEWTUIVNUCK-IRXDYDNUSA-N	321.848	3.847	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C(=O)O)c2)cc1	1776120156	XEGJHNXFBLXSIX-DHDCSXOGSA-N	320.348	3.547	50	20	DHGD	
CC[C@H](C(=O)NNc1ccnc2ccccc12)c1ccccc1	106923779	FBVSGKANZUIUKF-HNNXBMFYSA-N	305.381	3.872	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCC1CCOCC1	112151471	NNPHTYDAHWHRCO-CYBMUJFWSA-N	304.477	3.670	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)C(C)C	132974553	IQPOTQCCZCOTOP-SNVBAGLBSA-N	322.261	3.609	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	141535216	OTCPGUBBYYWNJU-XGICHPGQSA-N	317.439	3.551	50	20	DHGD	
CCC(=NNC(=O)c1ccncc1)C12CC3CC(CC(C3)C1)C2	252641525	ZEGZDZPYBKTLJP-UHFFFAOYSA-N	311.429	3.794	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1cccc([N+](=O)[O-])c1C	285669031	DWKCPGUCCGNYAZ-UHFFFAOYSA-N	317.345	3.685	50	20	DHGD	
CCSCCCNC(=O)NNc1ccc(Cl)cc1Cl	800730641	RBSONEJPBZZXKE-UHFFFAOYSA-N	322.261	3.763	50	20	DHGD	
O=C(NCc1ccc2sccc2c1)NNc1ccc(F)cc1	812488734	KTKOHBAWSWJNCF-UHFFFAOYSA-N	315.373	3.867	50	20	DHGD	
CC[C@@H](C)CC(=O)NNc1ccc(OC)cc1C(F)(F)F	816702534	RAEONJLHHQDYGT-SECBINFHSA-N	304.312	3.593	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccc(F)cc2OC)sc1C	816338357	GNUWIKSYNOUADE-UHFFFAOYSA-N	322.405	3.914	50	20	DHGD	
CC(C)C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817013187	ANPXYXMBJIGTRE-UHFFFAOYSA-N	314.229	3.823	50	20	DHGD	
N#CCCN(CC1CC1)C(=O)CCCC[C@H]1CCSS1	728870700	YOTBYXVNPQIDLK-AWEZNQCLSA-N	312.504	3.853	50	20	DHGD	
CCC[C@@H](Cc1ccccc1)NC(=O)NNc1cccc(C#N)c1	727945929	XADBFXQNRJNSTA-KRWDZBQOSA-N	322.412	3.596	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(CC(C)C)s2)cc1F	826540321	AFIBMWJPLBJQDW-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1Cc2ccccc2S1	821699951	XHVOHTVCKAYESZ-CQSZACIVSA-N	304.802	3.500	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(C(C)C)cc2)CCC1	837052321	BNISREIMDDPQPI-UHFFFAOYSA-N	304.434	3.850	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2c(C)cccc2Cl)CCO1	836933645	MNZFYEYNTXJTKE-CHWSQXEVSA-N	310.825	3.687	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(Cl)c(OC)c2)CCCC1	830798247	FZXAOECXZVIRGS-UHFFFAOYSA-N	308.809	3.928	50	20	DHGD	
CC(C)C(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	916328427	ONSIRUJAOGWPDJ-UHFFFAOYSA-N	305.381	3.941	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2ccc(C(F)(F)F)cc2)c1	748822653	UTCZUOHLTGAYST-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)Oc2ccc(F)cc2)c(C)c1	743762051	USBMDJOSOKJXDV-AWEZNQCLSA-N	316.376	3.662	50	20	DHGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1ccccc1F	749892258	USCFSPNGDZXAPU-BJMVGYQFSA-N	303.239	3.599	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1)c1ccc(OC(F)F)cc1	916248599	HLDVAWJBQFFGHD-UHFFFAOYSA-N	318.323	3.832	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccc(Cl)cc2Cl)c1	748018824	OGFVEKZUOYHAHP-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)CCC(C)C	753177385	MONCEOCFWATRNP-UHFFFAOYSA-N	313.239	3.891	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753297281	IYBZJOOQHONDGY-LBPRGKRZSA-N	313.788	3.767	50	20	DHGD	
Cc1nccn1CCCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852525116	UDFJAFWBTCWRNA-INIZCTEOSA-N	323.557	3.678	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NN(c2ccccc2)c2ccccc2)O1	756906868	BIHXTSAFTYQOCX-ZWKOTPCHSA-N	310.397	3.814	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(C(F)F)cc1	933101420	RBNDLEKOSFKFEL-UHFFFAOYSA-N	321.331	3.686	50	20	DHGD	
Cc1c(C#N)cccc1NC(=O)NNc1cccc(Cl)c1	775683918	ULNYAQLZTCADHE-UHFFFAOYSA-N	300.749	3.669	50	20	DHGD	
COc1cc(SC)ccc1NC(=O)NNc1ccccc1	772655219	GTYCALZDCSXMNA-UHFFFAOYSA-N	303.387	3.566	50	20	DHGD	
CCCc1ccc(NC(=O)NNc2nccnc2C(C)C)cc1	770099883	LJMFXTXCKNPCHK-UHFFFAOYSA-N	313.405	3.701	50	20	DHGD	
Cc1ccccc1OCCCN(C)C[C@H](C)CBr	770648912	YVBZLOORBSNUPL-CYBMUJFWSA-N	314.267	3.727	50	20	DHGD	
CCc1ccccc1COC(=O)/C(C#N)=C/c1ccc(O)cc1	782279634	APSFLRSAHFGAAO-GZTJUZNOSA-N	307.349	3.605	50	20	DHGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)C1CCCC1	781554720	UMLYWZCMXZDIOL-WJDWOHSUSA-N	319.364	3.935	50	20	DHGD	
CCS[C@@H]1CCC[C@@H]1NC(=O)[C@H](Br)C(C)(C)C	781095983	DJSDPSHZBRRXBK-AXFHLTTASA-N	322.312	3.586	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(C(F)(F)F)cc2C)o1	785457387	KQUHFGQYRREXEF-UHFFFAOYSA-N	310.275	3.679	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H](c2ccncc2)C2CC2)cc1	899008297	MFSFXDJMIAMXSF-SFHVURJKSA-N	324.428	3.982	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1[N+](=O)[O-])C(=O)C1CCCC1	899345844	WLOMTSJMRKHHCV-KPKJPENVSA-N	304.733	3.914	50	20	DHGD	
C=C(CBr)CN1CCC(c2ccc(F)cc2)CC1	791472588	LGUJGVZEWKHTMR-UHFFFAOYSA-N	312.226	3.956	50	20	DHGD	
O=C(NN=Cc1ccc2occc2c1)c1ccc(Cl)cc1F	794914319	HNWPMZKZIIOVJT-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1ccc(F)cn1	792358721	AXYJVAAHXKSZTD-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1ccc(OC)cc1	799760771	QXVPSMSWWPIIFH-UHFFFAOYSA-N	312.413	3.642	50	20	DHGD	
O=C(CC[C@@H]1CCCCO1)NNc1cc(Cl)cc(Cl)c1	791721571	ZCERBTIHLYVDJZ-ZDUSSCGKSA-N	317.216	3.786	50	20	DHGD	
CC(=NNC(=O)c1ccc(Br)cc1)c1ccsc1	1318102332	JLGFLDHAZOMIBF-UHFFFAOYSA-N	323.215	3.665	50	20	DHGD	
CCCO[C@H]1CCCN(C(=O)c2cccc(CCl)c2)CC1	1335766020	QQKMFBYGTRBREW-INIZCTEOSA-N	309.837	3.847	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)O)o1	1603700300	QLBQIDZSGRMCDZ-XFXZXTDPSA-N	309.321	3.777	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(C(=O)O)c1C	1595666305	HZSNNGORTWVHCG-LBPRGKRZSA-N	306.406	3.743	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1c(OC(F)F)ccc2ccccc12	7144055	QVTPNLOIAQMGOL-FMIVXFBMSA-N	317.291	3.911	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccncc3Cl)cc2C1	154677380	YUXWWEKWNLCJRW-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
C[C@@H](c1cccc(O)c1)N(C)C[C@@H](CBr)C1CC1	859189831	XIPSBBUDQOCZGQ-SMDDNHRTSA-N	312.251	3.806	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccn2)c(C)n1CC(C)C	33531154	SFPBHYQGVWOIFK-YVLHZVERSA-N	322.412	3.702	50	20	DHGD	
COc1ccc(CN(C)/C(=C/C#N)c2ccc(F)cc2)cc1O	79324731	LJSBKVAICRUASV-CXUHLZMHSA-N	312.344	3.536	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)c1nc2ccccc2[nH]1	121784228	JKSAYPCAFMMFPT-BENRWUELSA-N	305.337	3.644	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2ncc(Cl)cc2Cl)c1	132570820	GDSOFLIVXYFHJO-JTQLQIEISA-N	324.211	3.944	50	20	DHGD	
O=C(CC1CCSCC1)NNc1ccc(C(F)(F)F)cc1	153729319	JIFGLVJVHOFIHB-UHFFFAOYSA-N	318.364	3.682	50	20	DHGD	
C[C@](CCl)(CI)OCc1ccccc1	158129533	FKZLQUQTHBFARD-NSHDSACASA-N	324.589	3.636	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cn(C)nc2C)cc1	158701395	JNYHSVIKKNZKIJ-LFIBNONCSA-N	322.412	3.617	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cc(C)ccc1C	159052877	XRWIICGZMGYEPN-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2c(C)cccc2F)c1	184294687	MCYJCXSIVIKRCX-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
CC1CCC(N(C(=O)/C(C#N)=C\c2ccc(O)cc2)C2CC2)CC1	188307604	BPYLTIJYGFGOTI-VBKFSLOCSA-N	324.424	3.869	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(F)ncc2F)c(C)c1	491177628	YBHPHXNCYIIUHV-AWNIVKPZSA-N	313.307	3.522	50	20	DHGD	
CCCN(C[C@H](CBr)C1CC1)CC(F)(F)F	701844913	XENKJESGZDWFHS-JTQLQIEISA-N	302.178	3.682	50	20	DHGD	
O=C(NN=Cc1cccc(F)c1F)C12CC3CC(CC(C3)C1)C2	730727665	YJGXJMRJTYSRPI-UHFFFAOYSA-N	318.367	3.631	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2ccc(Cl)c(F)c2)c1	746697280	PMJCYPCSNJRZSA-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc(F)cc1OC(F)F	748075891	ZPQZFWOWSHFWAP-UHFFFAOYSA-N	322.286	3.581	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)CNc2cccc(OC)c2)CC1	751523270	XUMIWHGPTPJUJG-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccnc(Cl)c1	752812430	XFJJXNDUSLKEDQ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1cccc(C#N)c1	754274267	KRHAXYXBCQQXTC-ZBFHGGJFSA-N	319.408	3.991	50	20	DHGD	
CS[C@@H](C)CC(=O)NN=C(c1ccccc1)c1ccccc1	756909156	QARQQPJOEGMSNZ-AWEZNQCLSA-N	312.438	3.697	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cc3ccccc3s2)cc1	758361845	PCYUKFPAZPNWMZ-UHFFFAOYSA-N	323.421	3.772	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1cc(F)cc(OC)c1	759327206	WHUUFDKPSFNMMV-CQSZACIVSA-N	316.376	3.546	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1c(Cl)cc(F)cc1Cl	767406292	CFKOOFIJWHRPPG-UHFFFAOYSA-N	319.085	3.918	50	20	DHGD	
CN(N=C(CCc1ccccc1Cl)c1ccccc1)C(N)=O	767904116	KPSPBPHNEHXWAD-UHFFFAOYSA-N	315.804	3.687	50	20	DHGD	
C[C@@H](CC(=O)NNc1nc2ccccc2[nH]1)C1CCCCC1	768495181	KHMLIJCOSFFKNY-LBPRGKRZSA-N	300.406	3.613	50	20	DHGD	
C[C@H](CBr)CN(C)CCOc1cccc(Cl)c1	770644456	JSUYUJGAALXJDT-LLVKDONJSA-N	320.658	3.682	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1ccnc(Br)c1	771551771	FOQZNWLHTMVXAH-JTQLQIEISA-N	314.227	3.504	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	772823420	NHDLABLOTIPHIJ-QLFBSQMISA-N	316.449	3.650	50	20	DHGD	
CSc1cccc(NC(=O)NNc2ncccc2Cl)c1C	775399910	GMTPKIYRJJUHPN-UHFFFAOYSA-N	322.821	3.914	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)c1ccc(OC(F)F)cc1	776260079	WFTSIDBQLRVYEL-YRNVUSSQSA-N	314.247	3.543	50	20	DHGD	
CN(C)C(=O)NN=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1	776765735	BQBHXBGKNUKMCG-LBPRGKRZSA-N	313.323	3.600	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1F	779753975	ZINLBPJJKDDNDJ-UVTDQMKNSA-N	310.328	3.770	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	780520615	SAJHTKDYVPZPFT-MYJAWHEDSA-N	300.324	3.619	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)C2CCCC2)c1	781553863	DIIVLMSJKUERIO-OQLLNIDSSA-N	321.380	3.752	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1ccc2ncccc2c1	794883301	AGOGDOZTXVMDMX-VCHYOVAHSA-N	309.328	3.896	50	20	DHGD	
CC(C)CC(=O)NN=C1CCC(N(C)Cc2ccccc2)CC1	797785336	AGJBRIGGLUNFSW-UHFFFAOYSA-N	315.461	3.579	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)Nc2ccccc2)s1	801992801	CTYPLZRROLZDOT-UHFFFAOYSA-N	317.414	3.512	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cnn(-c2ccccc2)c1	807971377	SNQQQUPYHZWHKH-CQSZACIVSA-N	312.417	3.804	50	20	DHGD	
Cc1n[nH]cc1C1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808757623	PAEMDRQZULDXDY-UHFFFAOYSA-N	323.557	3.919	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1cccc(Cl)n1	813834231	ZSBUDGPBDHUIBN-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCCC(=NNC(=O)[C@@H](CC)c1ccccc1)c1cccnc1	814844849	BVDQMDCSPVZOMW-KRWDZBQOSA-N	309.413	3.896	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2c(F)cccc2Cl)cs1	816163605	XGYJFOPDRWTFBZ-UHFFFAOYSA-N	312.753	3.500	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C(\C)c2ccc(F)cc2)cc1	817911155	KULLBPZQDGPEDK-OUKQBFOZSA-N	314.360	3.771	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1oc(C(C)C)nc1C#N	825505153	CMFZPLKENNKOHC-LBPRGKRZSA-N	306.410	3.575	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(OC(F)F)cc2)CC[C@H]1C	827181132	WUBFPXVFKUUQND-GRYCIOLGSA-N	312.360	3.803	50	20	DHGD	
N#CC1=CCN(C(=O)c2cccc(SC(F)(F)F)c2)CC1	831487445	ASPBFRIUTIJBAJ-UHFFFAOYSA-N	312.316	3.594	50	20	DHGD	
CC[C@](C)(C#N)C(=O)NNc1ccccc1Cc1ccccc1	846461038	JSPSYJAOTHTBGU-LJQANCHMSA-N	307.397	3.660	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCO[C@H](C(C)C)C1	885129841	HHSPOGXJGULMEN-DOMZBBRYSA-N	310.825	3.543	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)nc1)c1cccc(Cl)c1	915974375	ZIYLNIAATXKIHQ-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1csc(C)n1	915977288	XJDJFHJFHAPOLC-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1	916245498	CVTKMCGUKKMEJY-QWHCGFSZSA-N	315.373	3.671	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	917516058	IOOZDRYVAAMTJI-BRYHAGSVSA-N	321.376	3.839	50	20	DHGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	920062983	MOINVZWPPIOXDT-NBVRZTHBSA-N	301.345	3.879	50	20	DHGD	
O=C(Nc1ccccc1N1CCCC1=O)C1CCC(Cl)CC1	1123483967	KTAOHDRPHQBSFK-UHFFFAOYSA-N	320.820	3.550	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3cccn3C)o2)cc1	1326061090	RBFCYEFGRWQLEK-SDNWHVSQSA-N	320.352	3.538	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNC(=O)c1ccccc1Cl	1344062895	SRKRIHROSMIURG-GFCCVEGCSA-N	310.825	3.563	50	20	DHGD	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1	3617178	AORSSQGBVSRDEW-JLHYYAGUSA-N	311.410	3.986	50	20	DHGD	
N#CC(C#N)=CNc1nc2ccc(SC(F)F)cc2s1	7067169	NBYHUXIQQDZVMG-UHFFFAOYSA-N	308.338	3.954	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CCO3)c(C)c1	54802023	SRSFUCDCTFWMGK-BOPFTXTBSA-N	318.376	3.784	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	121766770	QUOILXMRXAVNLG-XFFZJAGNSA-N	320.352	3.721	50	20	DHGD	
COc1ccccc1C[C@@H](C)CC(=O)NNc1ccc(C)cc1	158897453	TUYDRYZZXYUVIC-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)NCc1ccccc1	179172036	SPIQSWBWFLHSDH-RIYZIHGNSA-N	314.747	3.702	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)c(F)cc1F	181124078	MBBQFOQDLAPYFO-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CC[C@H](CSC)NC(=O)CCCC[C@H]1CCSS1	181226049	ZILRCIUCWJRXGE-NEPJUHHUSA-N	307.550	3.958	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OCCCOC)c1	263654204	HTNOKFXWDHEUJU-LUYJPIOASA-N	301.386	3.624	50	20	DHGD	
N#CC1=CCN(C(=O)C2(c3cccs3)CCCCC2)CC1	270890066	CHXBNWJKBRPMAH-UHFFFAOYSA-N	300.427	3.632	50	20	DHGD	
CC(C)(C)c1ccc(SCC(=O)N2CC=C(C#N)CC2)cc1	271165225	WOLYUJFJOBKIQL-UHFFFAOYSA-N	314.454	3.758	50	20	DHGD	
CSC[C@@H]1CCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	292435113	NZPBIVDWXGDEED-DFWYYUMKSA-N	317.414	3.534	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3c(s2)CCCC3)cc1	294318821	LGTZIOBTOPOTAA-UHFFFAOYSA-N	316.426	3.783	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccccc2C)cc1	588559117	SNYDLOYMLRYCEN-BRYHAGSVSA-N	320.392	3.788	50	20	DHGD	
Cc1ccccc1C(C)(C)CNC(=O)NNc1ccc(F)cc1	726264699	PZLQRCQVMHMCOJ-UHFFFAOYSA-N	315.392	3.738	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1C	728287660	VLLZTMJUXNBIIU-KJBJRLJWSA-N	313.445	3.727	50	20	DHGD	
CCC(=NNC(=O)c1cccc(OC(F)F)c1)c1cccs1	728433936	QZSFZYXMDVMULR-UHFFFAOYSA-N	324.352	3.894	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccc3ccccc3n2)o1	732762560	JPWHWVVAMCRVEF-SWLSCSKDSA-N	319.364	3.715	50	20	DHGD	
CC[C@H](NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1	732918008	YBVMKUSFGPZAGF-SFHVURJKSA-N	319.408	3.929	50	20	DHGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1	734980123	FUYPDRSGGHJDFK-NRXCIGNBSA-N	300.377	3.736	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(F)c1)c1cccc2ccccc12	741462734	NLTZXNLLXIYAOZ-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccccc1O	741465884	XTDPXEKJVVKHKB-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccc2ccccc2n1	749809859	LDCKQJQLALBFDY-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CCCN(CC(=O)OC(C)(C)C)/C(=C\C#N)c1ccccc1	755315088	GNKXFXLMIWAEMQ-WJDWOHSUSA-N	300.402	3.605	50	20	DHGD	
O=C(CCCc1ccccc1)NN=CC1Cc2ccccc2C1	766448557	ZAMSJBQULTUTMM-UHFFFAOYSA-N	306.409	3.526	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)c1	769552741	XFMFTVBEYMVVQT-ZROIWOOFSA-N	323.396	3.516	50	20	DHGD	
COCc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)c1	774562114	RUNRLOSDHLETKS-SXGWCWSVSA-N	324.336	3.814	50	20	DHGD	
O=C(NNc1ccccn1)C1(c2cccc(F)c2)CCCCC1	777473514	LEZSMPVXQBEACS-UHFFFAOYSA-N	313.376	3.566	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)CCc1ccccc1	780538576	PZKSNGBUDKKOPD-IBGZPJMESA-N	318.461	3.763	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1ccc(Br)cc1C	780660297	YEQCLINFWDSXHD-ONGXEEELSA-N	313.239	3.883	50	20	DHGD	
N#CC1=CCN(C(=O)Cc2cc3c(ccc4ccccc43)o2)CC1	780686420	KGUURRKIKDEOGK-UHFFFAOYSA-N	316.360	3.811	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)Oc1cc(C)c([N+](=O)[O-])cc1C	783870213	HRZDJDIYIFAZHL-PLNGDYQASA-N	312.325	3.534	50	20	DHGD	
C=C(CBr)CN(C)[C@H](C)c1ccc(F)c(F)c1	791441212	GDSGFXYLMRWAKK-SNVBAGLBSA-N	304.178	3.909	50	20	DHGD	
O=C(NN=Cc1ccc2occc2c1)c1ccc(O)c(Cl)c1	794913099	QKGUTRGERHRXMT-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCn1cc(Cl)cn1	794949019	NGWFJBVADFJYHC-UHFFFAOYSA-N	320.824	3.502	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)C1CCOCC1	794952919	ISSJUGPDIRUSKC-KPKJPENVSA-N	310.180	3.896	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCC(F)(F)C1	795176629	SWDZHBPFTXCOGV-SSDOTTSWSA-N	309.143	3.872	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC1CC1	797397385	BYGGRTYHUCVOEL-VGOFMYFVSA-N	318.804	3.560	50	20	DHGD	
COC(=O)c1occc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797398131	DZQJQGFEWGAKEM-YRNVUSSQSA-N	316.382	3.884	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3nccn23)cc1C	809158750	CZVBICBDZADWRX-LFIBNONCSA-N	301.349	3.741	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](OC(C)C)c1ccccc1	816163814	DJMVQCIMFJBBPM-KRWDZBQOSA-N	316.376	3.744	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)nc2O)c(Cl)c1	821771077	XNTNCOHLKMEHDG-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@@H]1c1ccccc1	830609333	DBBAWTYAUWHAJN-HZPDHXFCSA-N	324.428	3.627	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CC[C@@H]1CC1(Cl)Cl	830801860	ODLDQASZPKNEPQ-SECBINFHSA-N	305.180	3.551	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)[C@H]1CCCC[C@@H]1C	834924225	MUCOMQRQGKPCOC-GUYCJALGSA-N	301.434	3.685	50	20	DHGD	
CCOc1nccc(C)c1C(=O)NNc1c(C)cccc1Cl	836936008	FDUKYQTVIRDRGC-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
CN(NC(=O)c1cc2ccc(F)cc2s1)C(=O)OC(C)(C)C	838362847	LTVVLUUDQMVZHC-UHFFFAOYSA-N	324.377	3.552	50	20	DHGD	
C[C@@H](CC(N)=O)NCc1cccc(S(F)(F)(F)(F)F)c1	840892861	JAIRRTLFWHNQEK-QMMMGPOBSA-N	318.311	3.698	50	20	DHGD	
CC(C)(N)CCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	843358715	YNUCKLKVZRPUGN-UHFFFAOYSA-N	324.639	3.607	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1cc(C)cc(C)c1)CCC2	847601860	JSJROLWOTAURJW-GOSISDBHSA-N	324.424	3.875	50	20	DHGD	
Cc1nnc([C@H](C)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	852522638	MVLCOOIBVIMQNU-AAEUAGOBSA-N	311.502	3.535	50	20	DHGD	
C=CCCCCCN(C)C(=O)NC[C@@]1(C)C[C@H]1Br	856898913	INGLITMOSIUMGH-TZMCWYRMSA-N	317.271	3.548	50	20	DHGD	
CC[C@H](Cc1cccs1)NC[C@@]1(C)C[C@H]1Br	857066132	XZMOVZVUQSDXLO-RAIGVLPGSA-N	302.281	3.832	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc(C(F)F)cc2)C[C@@H]1Br	857399845	GMNXYLWARFAKBM-GXFFZTMASA-N	318.161	3.528	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccnc1Br	865225280	ZVIJIMWRYSJIKH-DHZHZOJOSA-N	307.191	3.756	50	20	DHGD	
COc1cc(Cl)c(NC(=O)NCC(Cl)Cl)cc1C	879594155	ZDPMDWOIRIKNJR-UHFFFAOYSA-N	311.596	3.582	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1ccc(Cl)s1	915928762	WFZSYYLXPXWDRL-UHFFFAOYSA-N	322.817	3.629	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(Cl)nc2ccccc12	916240097	QJRJMQZPEAVCSW-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)COc2ccc(C)c(C)c2)c(C)c1	916298220	BJVPARDMDSVWLR-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
CCN(CC)C[C@H](C)NC(=O)CCCC[C@H]1CCSS1	921079313	UYNMQDQVGUBWDS-KBPBESRZSA-N	318.552	3.547	50	20	DHGD	
CC(C)CCCCC(=O)NNc1cncc(Br)c1	1117857075	NMISXLIALMITKY-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-c2ccccc2)s1	1255740367	GGQKRYSFQNZLMN-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccnc2N(C)C)cc1C	1261147444	ZFXXMFNGHUSSSP-GZTJUZNOSA-N	305.381	3.554	50	20	DHGD	
O=C(C[C@H]1CCCN1C(=O)C1CCC(Cl)CC1)c1ccco1	1528023297	IVAPAIQMZSHEJA-JXQTWKCFSA-N	323.820	3.641	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)cc1)C(=O)c1cccc(Cl)c1	11297277	JCCXHOQPASJOML-RIYZIHGNSA-N	311.724	3.828	50	20	DHGD	
Cc1csc(CNC(=O)CCCC[C@H]2CCSS2)n1	42038112	DSSUHYILLOVSFM-NSHDSACASA-N	316.517	3.782	50	20	DHGD	
CCC(CC)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	128261624	HBXBQWQHYMWQLK-UHFFFAOYSA-N	317.216	3.581	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccnn2CC)cc1	152139983	ASNKITPPGGMPCS-DTQAZKPQSA-N	322.412	3.791	50	20	DHGD	
Cc1cc(OC(F)F)c(C(=O)NNc2cccc(F)c2)s1	154953542	VEHKLTHLLVZCMP-UHFFFAOYSA-N	316.304	3.554	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1c(F)cc(F)cc1F	158216470	YIRZDZGOVFEDQC-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCOCCC(=O)Nc1c(CC)cc(SC#N)cc1CC	175627357	XNBVEMRLBXIRPP-UHFFFAOYSA-N	306.431	3.750	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2cccc(Cl)c2)c1C	179146204	JNDRNJYMDAEGRR-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc(Cl)s1	182086540	SGDOHBBIXSTLRF-YRNVUSSQSA-N	320.776	3.764	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2coc(C3CCC3)n2)cc1	192857107	GQMKLDYURTYATE-UHFFFAOYSA-N	313.401	3.997	50	20	DHGD	
Cc1cc(C)cc(-c2ccc(/C=C(\C#N)S(C)(=O)=O)cc2)c1	255238411	QVSIAVMJKHKISY-WOJGMQOQSA-N	311.406	3.880	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1	255331089	FKVLHZXSABVSKW-PQTFEYQYSA-N	307.777	3.966	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	255658207	QFYUGXIZMWGQCE-JXMROGBWSA-N	301.289	3.769	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccccc1OCCOC	281276895	XGDGFYJUXKPOFD-NTCAYCPXSA-N	301.386	3.624	50	20	DHGD	
Cc1cncc(/C=C/C(=O)NNc2c(C)cccc2C(C)C)c1	493826944	RXJJKZGRGZTSGN-CMDGGOBGSA-N	309.413	3.978	50	20	DHGD	
CCCN(N=Cc1ccnc(Cl)c1F)C(=O)OC(C)(C)C	497119530	LRBWJCVHBCZPQH-UHFFFAOYSA-N	315.776	3.855	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	588429272	XJAZXOVROPXKSV-MPMPPSQCSA-N	308.356	3.919	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1	732765272	LBLRVONHZZBGLG-ABAIWWIYSA-N	316.788	3.749	50	20	DHGD	
Cc1nc(N)sc1C(=O)NN=C1CCC[C@@H](C(C)(C)C)CC1	746563382	AAMFMOAGZHTQSC-LLVKDONJSA-N	322.478	3.746	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccc(Br)cc1F	748203046	IGKMXNGROOEMKP-CLFYSBASSA-N	315.186	3.778	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1Cl)c1ccc[nH]1	758098822	DVALAGXEIGEHKD-LBPRGKRZSA-N	301.777	3.722	50	20	DHGD	
N#C/C(=C/c1nc(Cl)cs1)c1nc(-c2ccccc2)no1	759073972	AFUWUHCGTQELPO-POHAHGRESA-N	314.757	3.911	50	20	DHGD	
CC1(CC(=O)NNc2ccc(Br)cc2Cl)CC1	760469622	SITVZSLTXXSOJK-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1cscn1	767908635	WRSRVVONGGYDSQ-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
C[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(C)(C)C	769858399	HSCGYFXROQUFJQ-UUIJZJDISA-N	316.283	3.739	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)c1ccc(F)cc1F	771287364	RLESNCTZJHXOQJ-JTQLQIEISA-N	323.318	3.800	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)NNc2c(C)cccc2F)cc1	771313426	RVQMVZJTMGNBPQ-LBPRGKRZSA-N	317.364	3.530	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C(F)(F)F)cn2)C1	775249103	DSIFQGWGHWOISZ-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc3ccccc3n2)cc1C	777464997	UDAZZKRQPUDRJZ-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1ccccc1C(=O)OC	780730203	CFSBWWKHWBFWBN-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
Cc1ccc2c(c1)N(C(=O)[C@H](Br)C(C)(C)C)CC2	781091802	LFDIDFGCTZFBFF-ZDUSSCGKSA-N	310.235	3.694	50	20	DHGD	
N#C/C(=C\c1scnc1C1CC1)C(=O)c1ccc2c(c1)OCO2	782328639	JSZAPKNDVZQJHD-WUXMJOGZSA-N	324.361	3.539	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1csc(Cc2ccccc2)n1	786677472	ZKSFYHXMVQPVSX-NVNXTCNLSA-N	324.405	3.637	50	20	DHGD	
Cc1ccc(N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1C	787098916	HJPDYNOERBPECU-LFIBNONCSA-N	306.365	3.579	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1COc2ccccc21	791727003	QRMMNQOELFQYTN-ZDUSSCGKSA-N	323.179	3.613	50	20	DHGD	
C=C(CBr)COC(=O)C1(c2cc(C)cc(C)c2)CC1	795450981	IUAMNHHMAIBHIW-UHFFFAOYSA-N	323.230	3.829	50	20	DHGD	
CSSCCNC(=O)c1cccc2c3c([nH]c12)CCCC3	803480499	KDXFIAHHTDFHFG-UHFFFAOYSA-N	320.483	3.788	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1c[nH]c(C(F)(F)F)c1)c1ccccc1	807971458	WICQZOXFPKUDEY-ZDUSSCGKSA-N	323.318	3.677	50	20	DHGD	
Cc1nc2ccccc2n1CC(=O)NNc1ccc(C(C)C)cc1	837053894	ITPQEBOZXGABRI-UHFFFAOYSA-N	322.412	3.611	50	20	DHGD	
CCCC(=CC(=O)NNc1ccc(C(=O)OC)c(F)c1)CCC	837057506	FUUPBWXWNYALSJ-UHFFFAOYSA-N	322.380	3.582	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(Cl)ccc2Cl)CS1	840420199	RJHQIAKUVRJNOQ-CBAPKCEASA-N	320.245	3.514	50	20	DHGD	
COc1cc(OC)c(/C=C(\C#N)c2nc(C)c(C)s2)cc1F	844548446	QZDOUAFZPWWHDW-LFYBBSHMSA-N	318.373	3.980	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccc(Cl)cn1	856093688	MWOBOGUQFHWMSP-OAHLLOKOSA-N	317.820	3.693	50	20	DHGD	
CN(N=Cc1csc(C(F)(F)F)c1)C(=O)OC(C)(C)C	863082687	OQXBVQYEAAKNNO-UHFFFAOYSA-N	308.325	3.968	50	20	DHGD	
COC(=O)N(C)N=C(C)c1cccc(SC(F)(F)F)c1	872372967	USKWSIXBPMYTEM-UHFFFAOYSA-N	306.309	3.721	50	20	DHGD	
C[C@@H](NC(=O)[C@]1(C)C[C@H]1Br)c1cc2ccccc2o1	907634295	KWHSBFMJWFXZHH-XXLQHYSLSA-N	322.202	3.784	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1	912582544	AEXQDGSMYUUIKO-HUUCEWRRSA-N	309.526	3.965	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2C)cc1	912594633	ZGAWAGHRTSMDAF-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1cc(C)ccc1C	915917701	IGYWIYARCCCXAR-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1Cl)c1ccccc1F	916291250	WPQRTIBBHGUYLX-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)c2ccccc2C)cc1	916362379	YLOXWCRUAQSXPK-UHFFFAOYSA-N	310.397	3.938	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)C12CC3CC(CC(C3)C1)C2	917551568	RKWGSEDFWUUMKP-UHFFFAOYSA-N	302.340	3.647	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H]2C=CCCC2)c1C	1252867935	ANDDEFANKQMKFG-FSEPTYSPSA-N	311.429	3.647	50	20	DHGD	
O=C(NNc1ccccc1F)C1(Sc2ccccc2)CC1	1319421869	RZCHNENQICNUSE-UHFFFAOYSA-N	302.374	3.594	50	20	DHGD	
O=C(N[C@H]1CCCC12CCOCC2)c1cccc(CCl)c1	1335945987	QBQRHNYINBMYIR-HNNXBMFYSA-N	307.821	3.505	50	20	DHGD	
C[C@@H]1c2ccccc2OCCN1C(=O)C1CCC(Cl)CC1	1528619900	MFYROLZZFWPSNX-IYXRBSQSSA-N	307.821	3.766	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OC(C)C)c(C)n1Cc1ccco1	7208376	IXVHDZMBVDYZIX-CXUHLZMHSA-N	312.369	3.605	50	20	DHGD	
O=C(NNc1ccccc1)[C@@H](OC1CCCC1)c1ccccc1	111550275	VLBGKAQCUAGJFC-SFHVURJKSA-N	310.397	3.830	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@]2(CCc3ccccc32)C1	158592478	BTIWEAOHYRRDDJ-LYCWOWIHSA-N	316.404	3.725	50	20	DHGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)Nc1ccncc1	179512721	IWQXTMLKROFWKL-CSKARUKUSA-N	318.163	3.934	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc2ccccc2n1)c1ccc(F)cc1	181143458	VALNRAKIJUGPJB-OUKQBFOZSA-N	321.355	3.921	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(Cc2ccccc2F)CC1	188969623	KTGLZJKFOHDKAG-UHFFFAOYSA-N	320.314	3.570	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2C)c1	195171714	YHBYRMUKRXVNIZ-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCOc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)OC)c2C)cc1	198376665	UUGDPOVBQVXODW-WJDWOHSUSA-N	324.380	3.573	50	20	DHGD	
CCCCCCOc1cccc(/C=C(\C#N)S(C)(=O)=O)c1	255334950	GERNBNVJGRLQCN-FOWTUZBSSA-N	307.415	3.555	50	20	DHGD	
COc1ccc(/C=C\C(=O)NNc2cccc(Cl)c2)cc1	490665707	GKZYQSHYQOPOAE-YFHOEESVSA-N	302.761	3.505	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)c1	741471494	AQYNRNICPPRQJO-NTEUORMPSA-N	304.353	3.729	50	20	DHGD	
CCC(=NNC(=O)c1cc2c(s1)CCCCC2)[C@H]1CCOC1	741838226	QYVDLHIAERHKQM-ZDUSSCGKSA-N	320.458	3.549	50	20	DHGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=CC1CCCC1	741848538	UZLZBPYIZDNBEE-UHFFFAOYSA-N	313.426	3.645	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNC(=O)c1ccccn1	742462533	GEFUGFVCSVOUQW-SFHVURJKSA-N	319.449	3.619	50	20	DHGD	
CC[C@@H](NC(=O)NNc1c(C)cc(C)cc1C)c1ccncc1	745836194	MTWAGAYKZMEOOE-MRXNPFEDSA-N	312.417	3.784	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C/C=C/c1ccc(F)cc1	747741662	QGKRKICDZWWTQX-RZTIANJHSA-N	316.763	3.837	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ccc(OC(F)(F)F)cc1	748498167	QTMINSJJJITYBP-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)C12CC3CC(CC(C3)C1)C2	752173979	ISYOLFSVRBFOII-UHFFFAOYSA-N	300.402	3.910	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ccc(Cl)nc1	754470428	ZUQYTAIMZXTGJI-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
O=C(NN=C1CCC(O)CC1)Nc1ccc(-c2ccccc2)cc1	761810903	VRDRXFIYGJHFAL-UHFFFAOYSA-N	323.396	3.766	50	20	DHGD	
Cc1ccccc1CN(C)C(=O)[C@H](Br)C(C)(C)C	766966477	GNOXDTIUHPJWGK-ZDUSSCGKSA-N	312.251	3.763	50	20	DHGD	
CCN(CCC(F)(F)F)C(=O)[C@H](Br)C(C)(C)C	767931915	VVAJONUZGOAVRC-QMMMGPOBSA-N	318.177	3.597	50	20	DHGD	
C[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC12CCC2	768385151	SFTKLVFOCVSWHQ-VXGBXAGGSA-N	316.283	3.835	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@H](c2ccc(F)cc2)C1	770654132	AAFMFCDCJFJVDM-DGCLKSJQSA-N	300.215	3.646	50	20	DHGD	
C[C@H](CBr)CN1CCc2c(F)cc(F)cc2[C@H]1C	770657422	PGQZGGOZISHILK-NXEZZACHSA-N	318.205	3.915	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)C(C)(C)C1CCCCC1	772865881	BWPZDMOYSAHDSM-UHFFFAOYSA-N	304.438	3.650	50	20	DHGD	
CSc1ccc(NC(=O)NNc2cccc(Cl)c2)nc1	775754961	WJDVZIXPEPBEDB-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(OCC)c(F)c1	779800643	YTKLQOAQJCUHER-RVDMUPIBSA-N	318.392	3.828	50	20	DHGD	
C[C@H](CC1CCCCC1)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787658719	OPCYDUANPBEHPU-RFRKOGIWSA-N	312.413	3.774	50	20	DHGD	
ClCCCOc1ccc(CNC[C@H]2CCCSC2)cc1	811507739	MVJBGGYVHGCWJF-OAHLLOKOSA-N	313.894	3.927	50	20	DHGD	
CC[C@H](C=NNC(=O)c1ccc(Cl)nc1)c1ccccc1	814810041	WFJRJACGNRITOF-GFCCVEGCSA-N	301.777	3.644	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)N(C)CC(Cl)Cl	816629558	ROKICAQRTQLAGD-UTUOFQBUSA-N	310.265	3.622	50	20	DHGD	
O=C(CC1CCCCC1)NNc1cc(Cl)nc(Cl)c1	819741623	PSSCHHDUHDMWFA-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
CCCc1[nH]ccc1C(=O)NNc1nc2c(C)cccc2s1	828358536	MPGYVKZMCSIGMC-UHFFFAOYSA-N	314.414	3.642	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3c(s2)CCOC3)c(Cl)c1	836937184	YXTBEZUBIKYMMK-UHFFFAOYSA-N	322.817	3.540	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(F)c1	849179043	JWCRXKDAKRUKII-WQLSENKSSA-N	303.333	3.525	50	20	DHGD	
CCn1ncc(C)c1NC(=O)CCCC[C@@H]1CCSS1	855752539	QRYMWCJOQXJTSJ-GFCCVEGCSA-N	313.492	3.864	50	20	DHGD	
CCC(C)=NNC(=O)c1ccccc1OCc1ccc(F)cc1	916295580	XSENITOCHNCFFS-UHFFFAOYSA-N	314.360	3.920	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C(C)CCC(C)C)cc1	916340446	ITSXAVJLCAZNIL-HNNXBMFYSA-N	320.433	3.781	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1nc2ccccc2s1	916828145	SJIISEREJLMANX-UVTDQMKNSA-N	320.373	3.947	50	20	DHGD	
CCCOc1cccc(/C=C(/C#N)C(=O)NC2CCCCC2)c1	917145144	NGHXKXXPDJWMQB-VBKFSLOCSA-N	312.413	3.831	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc2c(c1)CCC(C)(C)O2	920240694	ABUAWQNZISKMMP-VBKFSLOCSA-N	312.413	3.613	50	20	DHGD	
CCC(=NNC(=O)CCc1ccc(OC)cc1)c1cccs1	920380615	WXWWLGSVDSQMPJ-UHFFFAOYSA-N	316.426	3.620	50	20	DHGD	
CC(=NNC(=O)c1ccc(Br)cc1)c1cccs1	1083923381	NCCLDXSCAAEORQ-UHFFFAOYSA-N	323.215	3.665	50	20	DHGD	
Cc1ccc(O)c2c1[C@@H](C)/C(=C/c1cnn(CCCl)c1)C2=O	1318245757	JXXJTJBCURZYEJ-HKMIMPICSA-N	316.788	3.519	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(Cl)c(N)c1	1324244912	QCJZCKSJLMIGOI-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
CCc1nc([C@H](C)NC(=O)c2cccc(CCl)c2)cs1	1338848713	XYHZARLRXAGQSX-JTQLQIEISA-N	308.834	3.935	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045101	PFJNVIRENPFMDO-RYUDHWBXSA-N	317.389	3.709	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	16437888	NZJPBXLNEKOSGS-GHRIWEEISA-N	312.413	3.641	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(F)c(F)c2)cc1	76106294	JXTLLERIAOCMCH-SDQBBNPISA-N	316.282	3.958	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	102545946	DJOMTVURIOEXMN-LLVKDONJSA-N	321.327	3.675	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2nccn2CC(F)(F)F)sc1C	125392299	OUVNPRXZYJUJTM-BJMVGYQFSA-N	312.320	3.583	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1cc(Cl)ccc1Cl	129908799	YIVQOSAEBICXFY-FPYGCLRLSA-N	324.192	3.996	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1C	131080100	MSNKFUZYNWCDDQ-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(C#N)o3)c[nH]c2c1	174060968	FKOZJYFSANTCHU-KPKJPENVSA-N	301.305	3.731	50	20	DHGD	
CO[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)C(C)(C)C	174789871	SPURMXSLFZVNJK-OLZOCXBDSA-N	319.536	3.878	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	182248330	XJEDBFJPIOGSAT-JLHYYAGUSA-N	310.309	3.676	50	20	DHGD	
O=C(NN=C/C=C/c1ccccc1)c1cc(-c2cccs2)n[nH]1	254308455	HZFNYAARYDZYJN-SDZRQRMZSA-N	322.393	3.567	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCC[C@@H](C(F)(F)F)C1	266565399	WMJLARGFIWOBQQ-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
C=C(CBr)CN[C@](C)(CC)c1nc(C)cs1	279170291	AAAZOYCCYDTFPV-GFCCVEGCSA-N	303.269	3.617	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C)n(C(C)C)c2C)cc1	294465845	VFMDMXHVRJACJG-UHFFFAOYSA-N	315.417	3.841	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1F	729150877	PIXJWAWJJMTHPN-VLLKGGHDSA-N	300.377	3.736	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNc1nccnc1Cl	734550398	NBXKKUMRVXGHBJ-ZDUSSCGKSA-N	324.856	3.816	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1cccc(C(F)(F)F)n1	740141833	QWCZQWUEYLQGSL-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1nccc2ccccc12	740761778	KLPGSDJINPFSTH-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C1CCCCCCC1)c1ccccc1	741571597	UAXSKNMJYPDILK-QGZVFWFLSA-N	316.445	3.688	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C#N)cc2)oc2ccc(F)cc12	748117946	URSIWZNTHMTCRN-UHFFFAOYSA-N	309.300	3.509	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2ccc(F)cc2C)cc1	748562624	VEHRSEIVEKCLFB-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
COc1ccc2cc(C(C)=NNC(=O)c3ccc(C)o3)ccc2c1	752172530	NPSSGPHBSZWNLK-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2)CC1	753659345	MJWOQFPDTXPFIC-JOCQHMNTSA-N	305.378	3.500	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cc(Cl)c(N)c(Cl)c1	754700218	HKRKJFHGVIHCFH-UHFFFAOYSA-N	318.204	3.824	50	20	DHGD	
CC(C)CC1(CNC(=O)NNc2cc(F)c(F)c(F)c2)CC1	757251991	JGEMXSTWTMJGDZ-UHFFFAOYSA-N	315.339	3.556	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1	761394833	WQZMWCHZSIGRQU-YFHOEESVSA-N	304.346	3.686	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1cccc2ccccc12	770313867	PLPVPJXWTJIMNV-LBPRGKRZSA-N	321.214	3.957	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1ccc(F)cc1Cl	770404693	OEYZVLRTQFDCNJ-MRVPVSSYSA-N	323.589	3.596	50	20	DHGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)c3cccc(F)c3)n12	773173726	YVHWOJNITMNNGT-ZROIWOOFSA-N	305.312	3.572	50	20	DHGD	
CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)NCCc1cccs1	773201047	OLOJNQABZPIPKA-UKRRQHHQSA-N	305.447	3.568	50	20	DHGD	
C#Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	775473208	NXHNLVPQAZXOAD-UHFFFAOYSA-N	319.286	3.835	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3c(s2)-c2ccccc2OC3)CC1	780687691	HWENPWJKLLISSE-UHFFFAOYSA-N	322.389	3.603	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNc1ncccc1Cl	782091375	WVBSGOQPUUIRJG-UHFFFAOYSA-N	315.764	3.673	50	20	DHGD	
Cc1ccc(NS(=O)(=O)CCCCCl)cc1OC(C)C	782475092	NIFKAIHHYLFZRU-UHFFFAOYSA-N	319.854	3.543	50	20	DHGD	
COc1cc(NNC(=O)N[C@H]2CCC[C@@H](C)C2)ccc1Cl	788876096	VZGJZGNMXYIWBG-MNOVXSKESA-N	311.813	3.553	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc(-c3ccccc3)on2)c(C)c1	794782545	VWCZDUNDRKTZRE-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1O	809146509	QCMFEUJBOSKRCC-CXUHLZMHSA-N	307.349	3.808	50	20	DHGD	
N#C[C@@H]1CCCC(=NNC(=O)c2cc3c(s2)CCCCC3)C1	814767794	VINRSYWXPXYCRQ-GFCCVEGCSA-N	315.442	3.817	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)c1	814836952	BIDDWOWCAZACGJ-MRXNPFEDSA-N	303.365	3.612	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)Nc1cc(F)cc(F)c1	815005690	QMMVDFIRXXEIRI-UHFFFAOYSA-N	315.732	3.835	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CC(C(F)(F)F)C1	816281288	JSMVHUQHBZDVRE-JTQLQIEISA-N	313.410	3.721	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2cccc3ccccc23)cc1	817925932	XIFWRJBFWPOFKZ-UHFFFAOYSA-N	320.392	3.924	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743238	LZQMILWASYNNOG-DTWKUNHWSA-N	302.205	3.658	50	20	DHGD	
CC[C@H](C(=O)NN=C[C@@H](Cc1ccccc1)OC)c1ccccc1	834957578	LWOVDUPZWXQRLX-MOPGFXCFSA-N	324.424	3.540	50	20	DHGD	
CC[C@H](C#N)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	845069889	JEJFVSQUXHHWLY-ZCFIWIBFSA-N	306.580	3.640	50	20	DHGD	
C=CCCn1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)nn1	849248209	NFTOZYGSCLBJLM-WQLSENKSSA-N	313.430	3.672	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2ncccc2C#N)C1	853896795	LACKCRGVEYTCSB-HNNXBMFYSA-N	317.509	3.944	50	20	DHGD	
Cc1nc(C2CCCCC2)sc1C(=O)NCCCSC#N	854361125	OFBWVWSEMSEBIM-UHFFFAOYSA-N	323.487	3.833	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1F	856231352	YEHZZBYPCGNFMO-MNOVXSKESA-N	318.314	3.946	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)NC[C@@]1(C)C[C@H]1Br	857062462	AKPCAFNTJOFMJX-LERXQTSPSA-N	300.215	3.520	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NC[C@]1(C)C[C@H]1Br	857392861	HALFGMFQIJZGPV-YPMHNXCESA-N	316.626	3.552	50	20	DHGD	
C=CCCCCCCCNC(=O)NNC(=O)c1cc(C)cs1	858465537	HMBHZAIMRCKLLX-UHFFFAOYSA-N	323.462	3.527	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@@H](C)CC(C)(C)C1	915931014	CBLYIIMKFNNLEM-GFCCVEGCSA-N	312.417	3.575	50	20	DHGD	
Cc1cc(NNC(=O)c2cc(C(C)(C)C)on2)ccc1Cl	928341038	LUCJNTMLJSZDLG-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
C[C@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(CCl)c1	1120710701	QGOQCGDVLBWDFW-BXUZGUMPSA-N	323.845	3.729	50	20	DHGD	
Cc1ccc(O)c2c1[C@H](C)CC2=NNC(=O)CCc1ccccc1	1318152479	UMYOGUYEEDHWPK-CQSZACIVSA-N	322.408	3.661	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCOc1ccccc1C	1339894038	LUVBOLFYSJEXPL-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CCc1csc([C@H](C)NC(=O)C2CCC(Cl)CC2)n1	1347696666	YXXOWSWRHCEJRR-WHXUTIOJSA-N	300.855	3.680	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@H]1C1CCCCC1	1551772309	YWUQUYLPYBCRCS-HNNXBMFYSA-N	323.868	3.534	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC[C@@H](c2ccccc2)C1	1552661183	DGOZZLNIIJWQNO-OLZOCXBDSA-N	300.229	3.832	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)Nc1ccc(F)cc1	16500500	GIWMETHXXOVWFD-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cc(F)cc(Cl)c1	92929707	NZTVNOJXDSDEDP-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(Cc1c(F)cccc1F)NNc1cccc2c1CCCC2	120133670	QLFWWIFEVXXYIE-UHFFFAOYSA-N	316.351	3.529	50	20	DHGD	
CSc1cc(C(=O)NNc2cc(C)cc(C)c2)ccc1F	128350029	UMFWSPJOUFLXLW-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cccnc2Cl)cc1	128511412	PZIAGQXZVYAYAH-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)NNc3cnccn3)CCCC2)cc1	133428428	DGYZJBIQUGZSDZ-UHFFFAOYSA-N	324.428	3.555	50	20	DHGD	
C[C@@H](CBr)CN[C@H](C)c1ccc(OC(F)F)cc1	152773005	YJXYTACPVNEVSJ-VHSXEESVSA-N	322.193	3.970	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(F)c(F)c(F)c1	158428640	ZVYLFRVYVHORQR-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(NNC(=O)CSc2nccc3ccccc23)cc1	158649834	VCPRBLAJFAWOED-UHFFFAOYSA-N	323.421	3.779	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccc(F)cc1C	181482302	ZWJMJHIYHHUJMX-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C(C)C)c(Cl)c2)n1	188990342	OHMQLQFDYOPGND-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)c1c[nH]c2ccccc12	255676982	YNGMGOFYBBUZKC-SDQBBNPISA-N	303.346	3.891	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)NNc1cccc(NC(C)=O)c1	297993178	ZBFSIWZXCMEACO-ZDUSSCGKSA-N	320.437	3.630	50	20	DHGD	
C/C=C/COc1ccc(CCC(C)=NN(C)C(=O)OC)cc1	495748757	USEFEFHIPHWMIN-KTMSJPITSA-N	304.390	3.648	50	20	DHGD	
COc1ccc(NNC(=O)Cc2cccc3ccccc23)cc1	729273426	QANGYEIFZAKODI-UHFFFAOYSA-N	306.365	3.534	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1c(F)cccc1F	735694045	BHZIVDYNSSGDJT-CYBMUJFWSA-N	304.340	3.677	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC(C)(C)CC2)cc1OC	735972547	IHLJAUGQNNPIEY-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cnc(C)s2)c(Cl)c1	741765478	CORQUTVOCVMLMM-UHFFFAOYSA-N	308.794	3.569	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@H](C)C[C@@H](C)C2)o1	747754215	RGCUKJJXLWULIQ-ZIAGYGMSSA-N	319.449	3.663	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)[C@@H](C)Oc1ccccc1F	749157753	CZYBAGBOPVIAHW-CQSZACIVSA-N	306.381	3.832	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)c1cccc2ncccc12	755699617	HQRZGTXCBBRUCI-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(N)cc1C	758108999	XRODUQWUTCIUPU-UHFFFAOYSA-N	317.392	3.884	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc2c(c1)ncn2C	761197332	CGYVPXJYVBTWPQ-NTUHNPAUSA-N	307.378	3.733	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1cnc(C)s1	761256197	YTKLAROFFXOBPR-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
CN(N=C1CCCC[C@H]1c1ccc(C(F)(F)F)cc1)C(N)=O	767909732	TWQWEEFZFQOSCU-LBPRGKRZSA-N	313.323	3.730	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1c(F)cccc1Cl	770197517	OGSIRPYUJFLHQQ-UHFFFAOYSA-N	318.735	3.911	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccc([C@H]2C[C@H]2C)o1	771706460	BHVVUDVHXGDPCI-OCCSQVGLSA-N	316.376	3.926	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1ccc(Cl)cc1F	771878977	RCVBKHRRZITQQB-UHFFFAOYSA-N	317.172	3.958	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(Cl)c1)C(=O)C1CCCC1	774129195	DYHCBVYVRUTWJP-KPKJPENVSA-N	304.733	3.914	50	20	DHGD	
CCC[C@]1(C)CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	776667072	YFLXHHYFMIRFPG-APEZIOSESA-N	312.413	3.728	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N(Cc1ccccc1)C1CC1	781067832	CIRXDOZXUYHRSP-CQSZACIVSA-N	324.262	3.987	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)NCc1cccc(C)c1	786049092	FLRUCWQEZZNLEX-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
Cc1c(Br)cccc1COC(=O)/C(C#N)=C/C1CC1	786678199	PIRIJWGTOBZZCH-NTUHNPAUSA-N	320.186	3.661	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Oc1ccc(Cl)cc1C	791096637	HACBGIBTFLHMFS-JTQLQIEISA-N	319.879	3.543	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)CCc1cccc(F)c1	791100769	VYIIJXBAANSCOY-NSHDSACASA-N	301.452	3.522	50	20	DHGD	
C=C(CBr)CN[C@H](Cc1ccc(F)cc1)C(C)C	791493848	ZCIGFFCLYCVJLZ-OAHLLOKOSA-N	314.242	3.934	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@H](CC#N)c2ccccc2)c1	793713596	RREOBQDVWUBASV-HNNXBMFYSA-N	311.360	3.665	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)c2ccncn2)c(C(F)(F)F)c1	794944128	CSWLDBSWGXKVFV-GHXNOFRVSA-N	318.302	3.626	50	20	DHGD	
C=C(CBr)COC(=O)Cc1ccc(C)cc1Cl	795553923	WDZMNZDZXBGSEO-UHFFFAOYSA-N	317.610	3.685	50	20	DHGD	
O=C(O)c1ccc(O)c(C(=O)/C=C\c2cccc(CCl)c2)c1	799893321	XGJVUNYSMDNERH-XQRVVYSFSA-N	316.740	3.725	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	802820810	FCERVEPBFFEHDF-UHOFOFEASA-N	317.389	3.644	50	20	DHGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1ccc([N+](=O)[O-])cn1	812245165	NLXLRCBNHHYUIQ-YRNVUSSQSA-N	309.256	3.939	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812248215	GXHSYGTZLWGLPK-XBXARRHUSA-N	312.682	3.551	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)OC1CCCCC1	812444949	JGTUULOGAAVLQZ-LCYFTJDESA-N	303.333	3.617	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)[C@@H]1CCCOC1	813129593	DNCKDIPVZUXKMZ-LSDHHAIUSA-N	319.449	3.560	50	20	DHGD	
CCc1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1O	813496223	RCROIMAGXVBFOG-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1cccc(Cl)n1	817006458	KOYIZNJQYPFFGZ-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
O=C(NN=C1CCC[C@H]1Cc1ccc(Cl)cc1)c1ccc[nH]1	834934979	WVTDWFBKRPPBGN-ZDUSSCGKSA-N	315.804	3.797	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1nccc2sccc12	844134595	MUEXXBDCCMMIQA-CMPLNLGQSA-N	303.431	3.812	50	20	DHGD	
CC[C@H](NC(=O)NNc1cc(F)ccc1C)c1nc(C)cs1	853688257	KNRMCIXQLOWJPU-LBPRGKRZSA-N	322.409	3.676	50	20	DHGD	
Cc1cnc(N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)nc1	853897611	NETUVVSFURFRHQ-AWEZNQCLSA-N	307.514	3.776	50	20	DHGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)NCCCSC#N	854367756	YAYJCRHSJFZTBH-UHFFFAOYSA-N	310.850	3.629	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1cc(C#N)ccc1Br	855616619	JFWHXKVZJCVJAN-JXMROGBWSA-N	322.206	3.510	50	20	DHGD	
Cc1ccc2oc(C(=O)NC[C@@]3(C)C[C@H]3Br)cc2c1	857400051	TYBPYSISDAPOPI-UKRRQHHQSA-N	322.202	3.645	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)C1CC2(CCC2)C1	859731815	OXVXBWUULMSRSB-GFCCVEGCSA-N	301.224	3.531	50	20	DHGD	
C[C@@H](NNC(=O)C=C1CCC(C(C)(C)C)CC1)C(F)(F)F	862315065	PPZNUAXBRPXYQQ-RWANSRKNSA-N	306.372	3.721	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1cc(Cl)ccc1F	871271298	KMHGAYIHSADYPH-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(F)c(F)c1	885113568	FGLJMYVJXWPSKY-UHFFFAOYSA-N	319.355	3.803	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(F)c(Cl)c1	915952267	UYMJYXLIIWGFHJ-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(F)cc1F	916253665	FHVPDSPWKZNKNO-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
N#CCOc1cccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c1	917618368	FFATZPPCRUKINH-UVTDQMKNSA-N	300.321	3.529	50	20	DHGD	
CSCC1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC1	932595079	NUGOOGBQURFINV-BNCCVWRVSA-N	317.414	3.534	50	20	DHGD	
COc1ccc2cc(C(=O)NCCSSC)ccc2c1	1321949361	YSBJUQZHYITEKR-UHFFFAOYSA-N	307.440	3.589	50	20	DHGD	
C[C@H](C(=O)NN(Cc1ccccc1)c1ccccc1)n1cccc1	1323155216	SQZLGQFYVUAGNS-QGZVFWFLSA-N	319.408	3.787	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(F)cc1Cl	1335316230	OHTDZUJRVLKSRU-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
O=C(NCc1ccc2ncccc2c1)C1CCC(Cl)CC1	1528371350	CZBOQIGNUZVNJB-UHFFFAOYSA-N	302.805	3.649	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	8056487	NFMMDYZTNPGUEH-ACCUITESSA-N	312.344	3.909	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	17473869	IDEQSZVLGYMEJR-JXMROGBWSA-N	304.802	3.986	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cccc(F)c1F	107417576	DYXWFXPSTXYBJU-AATVDUDFSA-N	304.340	3.567	50	20	DHGD	
Cc1cccc([C@H](C)NC(=O)NNc2cccc(C#N)c2)c1C	115859230	KVVYVWBZLUDOCB-AWEZNQCLSA-N	308.385	3.562	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@H]1c1cccc(F)c1F	120133049	POTSAVWVZWXVTN-QWHCGFSZSA-N	322.742	3.865	50	20	DHGD	
Cc1ccnc(NC(=O)NNc2c(Cl)cccc2Cl)c1	121585225	KNTYEMJCFBGXHQ-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ccc(OC(F)F)cc1	121621649	ZOGPFLZGKXTKOD-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1nc2ccccc2s1	128361394	APBFJQAKHJLGNH-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1(c2ccccc2)CC1	133116375	FPMXPLZEFAHURN-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cc(C)ccc2F)cc1	150821101	YKUMXMCACHSUKD-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
Cc1ccc2cccc(C(=O)NNc3ccccc3Cl)c2n1	158396235	ZSHKMZRVRGTEIT-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Fc1ccccc1CO[C@@H]1CCC[C@@H]1I	158419707	GRKZAKPHWVFBSO-NWDGAFQWSA-N	320.145	3.698	50	20	DHGD	
C#Cc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	169196048	YQSBTLSUJHVUSW-UHFFFAOYSA-N	319.286	3.835	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)ccc1O	170933582	FWXHUUAKYHXZGU-MDWZMJQESA-N	313.378	3.951	50	20	DHGD	
CCC(CC)C(=O)NNc1c(F)cc(F)cc1Br	174180287	PKCNMGRKIXOBSI-UHFFFAOYSA-N	321.165	3.607	50	20	DHGD	
Cc1c(Br)cccc1C(=O)NNc1ccccc1	175177963	FSDTUTOMERFUPC-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(CCc1ccc(F)cc1F)NNc1cccc(Cl)c1	179057327	QAJZAINIERUHGL-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
O=C(NNc1ccccn1)c1ccccc1Sc1ccccc1	181238123	LFSKHIGJGKILNM-UHFFFAOYSA-N	321.405	3.990	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Oc2ccc(Cl)c(C)c2)c1	195662087	WMKJKSOWNICRQA-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNC(=S)Nc1ccccc1C(C)C	727174252	JOUMMVZCXUHIND-CYBMUJFWSA-N	321.490	3.954	50	20	DHGD	
C[C@@H]1CCCC1=NNC(=O)COc1ccc(Cl)cc1Cl	729141145	TXNYDVSPJWPFOG-SECBINFHSA-N	315.200	3.664	50	20	DHGD	
Cc1ccc(-n2c(C)cc(C=NNC(=O)C3CCC3)c2C)cc1	731936475	ZADAYGUXPDTHBI-UHFFFAOYSA-N	309.413	3.653	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1	734093950	AWMYDJVLVKJCIE-UHFFFAOYSA-N	316.788	3.933	50	20	DHGD	
CC[C@H]1CCCC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	734660789	AXEKPFSZGXZMIG-TVQRCGJNSA-N	315.339	3.699	50	20	DHGD	
Cc1ccccc1C[C@@H](C)NC(=O)NNc1c(F)cccc1F	735759345	SSUNTJUCDYSMRG-GFCCVEGCSA-N	319.355	3.531	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(C(F)(F)F)cc1	743818827	OQUONKQPYFQZBJ-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c(O)cccc1Cl	746695386	CDHLFHXNGUQELR-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CC(C)=C[C@H]1[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1(C)C	746706497	AAZVRKMSLIGJSQ-GXFFZTMASA-N	312.335	3.785	50	20	DHGD	
N#Cc1ccc(NNC(=O)CC2=CCCCC2)cc1C(F)(F)F	746889344	MLXZARKAMHQCGU-UHFFFAOYSA-N	323.318	3.911	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	748006287	OSHCXMHFPVCJQX-UHFFFAOYSA-N	313.357	3.550	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)c2)oc2c(F)cccc12	748088690	MTYLBTVHIQZJOD-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(C(C)C)C2CC2)cc1OC	750929376	AJWOGPVVUYZWBH-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
COc1ccc2cccc(CC(=O)NN(C)c3ccccc3)c2c1	754451473	OQLCUTUQGCYUCV-UHFFFAOYSA-N	320.392	3.559	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccc(Cl)c(C(F)(F)F)c1	754713995	RDPOYADCFBTNBG-UHFFFAOYSA-N	306.715	3.855	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3C#N)cc2C1	755576557	PGGZHGAPKUPZLJ-LBPRGKRZSA-N	323.421	3.508	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1nc(-c2ccccc2)cs1	755699988	UHSLCSDOSYVKQY-UHFFFAOYSA-N	301.415	3.696	50	20	DHGD	
CC[C@H]1CC(=NNC(=O)c2cc3c(s2)CCCCC3)CCO1	756823289	JJXKAGPKEWJBPU-AWEZNQCLSA-N	320.458	3.692	50	20	DHGD	
CCC(CC)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	759212809	ORGHZWAMWPMYQW-UHFFFAOYSA-N	322.796	3.659	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2)c(Br)s1	761027812	UJROHJSBZRMDCI-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	768495588	LWWBGQZZJNLZBU-MELADBBJSA-N	312.417	3.613	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1cnccc1C	771549850	ABMWOYGHSSGWAP-UHFFFAOYSA-N	317.392	3.626	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779210024	VKQVSLYSHPHFNE-LLVKDONJSA-N	324.302	3.832	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	780372743	AKZYPZPNDOHTOQ-SDQBBNPISA-N	319.286	3.537	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1ccccc1C(F)(F)F	785486595	KBHQTVUGZFTSPZ-UHFFFAOYSA-N	322.330	3.954	50	20	DHGD	
CCc1ccc(C(=O)NNc2c(F)cccc2Cl)c(O)c1	787278092	AUJFUUXOEZGZLR-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)c2cc3ccccc3s2)cn1	788328815	QNWLFZRJHAOGNU-VGOFMYFVSA-N	307.378	3.908	50	20	DHGD	
N#Cc1ccc(C(=O)/C=C/c2cnn(CCCl)c2)c(Cl)c1	788360903	OVTCWIXMEVYVOJ-DUXPYHPUSA-N	320.179	3.543	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)O)cc1Cl	794874007	IPELAEKWDAUGKH-KPKJPENVSA-N	305.761	3.950	50	20	DHGD	
C=C(CBr)COC(=O)c1ccccc1OC(C)C	795498729	QJHRJZPAEXIODU-UHFFFAOYSA-N	313.191	3.582	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1cccc([N+](=O)[O-])c1	797397303	CCMFELLIFPFYSJ-RYUDHWBXSA-N	303.362	3.527	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C2=CCCCCC2)c1C	810022506	OZJMNQBVJLLMAH-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
CC1(C)CN(CCO[Si](C)(C)C(C)(C)C)[C@H]1[C@H]1CCCO1	810027210	JJXJJDXNILDCAV-CABCVRRESA-N	313.558	3.898	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc3c2CCCC3)nc1	810684915	BUPONXQDVNYRMA-UHFFFAOYSA-N	309.413	3.841	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1C[C@H]2CC[C@H]1C2	814753835	BGSKSOWZXIKIPE-RYUDHWBXSA-N	306.406	3.600	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)c2cccc(Cl)c2)cc1	817921114	JGSPNCWJMCBKJL-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1	827175593	AZAMESNISGGMAI-ZWKOTPCHSA-N	305.381	3.585	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3C[C@H](C)O[C@H](C)C3)cc2C1	834930198	AMKQQCJGABPIKS-SDDRHHMPSA-N	320.458	3.546	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2ccc(C(C)C)cc2)C1(C)C	837056758	CPWKJXHGHBREFW-JKSUJKDBSA-N	302.418	3.504	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1	842247115	KJHBBUJVKZGTDN-UHFFFAOYSA-N	323.368	3.784	50	20	DHGD	
CCOCCCC(=O)NNc1ccccc1Cc1ccccc1	846464764	RQVZPOAKCPTDCT-UHFFFAOYSA-N	312.413	3.537	50	20	DHGD	
CC(C)Cc1ccc([C@H](C)C(=O)NN[C@H](C)C(F)(F)F)cc1	862316166	MDTCWOKLMXLOEC-NWDGAFQWSA-N	316.367	3.560	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@@H](C)c1ccncc1	885124771	DEGAWCJYGFMBRA-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)[C@]1(C)C[C@H]1Br	907588943	COGBDZNGTHABDN-TZMCWYRMSA-N	307.191	3.588	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)CNc1ccccc1	915918786	MUERCFDOFRACGO-MRXNPFEDSA-N	301.434	3.973	50	20	DHGD	
CCC(=NNC(=O)Nc1ccccc1C)c1ccc2c(c1)CCO2	915971553	AVWFMSPDRDLMTC-UHFFFAOYSA-N	323.396	3.866	50	20	DHGD	
O=C(OCCCF)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl	922018951	AMAOVYGKWUCPFQ-UHFFFAOYSA-N	312.080	3.777	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCOC3(CCC3)C2)cc1	1333751149	IBQCBGHRAOOJLN-CQSZACIVSA-N	316.445	3.777	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@]2(CCSC2)C1	1352281503	MTDOQIBSVBKDKL-PIMMBPRGSA-N	301.883	3.530	50	20	DHGD	
C[C@H](Cc1ccc(NC(=O)C2CCC(Cl)CC2)cc1)C(=O)O	1592857760	MCSPNYVHKCMATE-LMWSTFAQSA-N	323.820	3.686	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(F)c1C(=O)O	1595631963	MDZPPGUBJRHETJ-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1)C(=O)NCCc1ccccc1	7158690	PURVVZSRMJYZPA-LFIBNONCSA-N	310.784	3.606	50	20	DHGD	
Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cn1	49198315	AVVMOIPNLYSIFH-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2csc(-c3ccccc3)n2)c1	72514001	FFKWNTDGBZDESU-UHFFFAOYSA-N	323.421	3.804	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1	125512338	IMXABOLCOZLCPJ-UGMNDJHYSA-N	317.385	3.625	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2(c3cccc(Cl)c3)CC2)c1	150794229	JPNWICHBIXKAGD-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3c(C)cc(C)cc3[nH]2)c1	150847188	RVMJFLAMBWCZMJ-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccccc1Br	153559815	COGCTGNESUUFSF-UHFFFAOYSA-N	319.202	3.768	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1ccc(C(F)(F)F)cc1	153589471	VBKIMVIWFPCKOF-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@@H](C)c2cccc(F)c2)c1	155728534	LGQIXGHOIAIQGE-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)/C=C/SCc2ccco2)c1	158931050	YVKASHGRFYUBNK-VQHVLOKHSA-N	302.399	3.787	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1nccnc1Cl	175385638	YYHJPJZNVFADPD-LBPRGKRZSA-N	310.829	3.570	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1n[nH]c2ccccc12	178873617	AGFYFQLWADGFRO-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2cccc3cnccc23)c(C)c1	180444474	LGJIGBFJBCKLTC-UHFFFAOYSA-N	319.408	3.846	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccnc(F)c2)c2ccccc2n1	182533168	UAUQLSIGESWSFQ-UHFFFAOYSA-N	324.359	3.649	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccsc1Cl	186957859	CCVMWRLOSVDYNG-UHFFFAOYSA-N	318.229	3.706	50	20	DHGD	
Nc1cccc(C(=O)NN(Cc2ccccc2)c2ccccc2)c1	195168872	XFWSDGMODKWDBU-UHFFFAOYSA-N	317.392	3.620	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1cccc(Cl)c1	255602223	REVQKIICXYXTQX-BENRWUELSA-N	316.788	3.895	50	20	DHGD	
CC(C)CC(=O)NNC(=O)Nc1cccc(-c2cccs2)c1	273406583	ONEUCDQXBNVNBO-UHFFFAOYSA-N	317.414	3.614	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1cccc(Cl)c1	294444249	MWHHZBVNHPXQDQ-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
C[C@@H](O)C[C@H]1CCCCCN1C(=O)c1cccc(CCl)c1	313957209	BBPFCLBKFRFIPX-CZUORRHYSA-N	309.837	3.581	50	20	DHGD	
C[C@@H](C1CC1)n1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1	490911825	VWHIWLDXYOOCMM-AAWHYMEISA-N	324.359	3.539	50	20	DHGD	
N#C/C(=C/c1ccsc1Cl)C(=O)NCc1ccccc1	491105873	QXWFIRAZPHJHJZ-JYRVWZFOSA-N	302.786	3.625	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(Cl)nc1)c1ccccc1	743815642	HPCKWNMDVYWONZ-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1(C)C	746706498	AAZVRKMSLIGJSQ-MFKMUULPSA-N	312.335	3.785	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1Cc2ccccc2S1	748570340	SGHZRBWDIINBCJ-SFHVURJKSA-N	324.449	3.726	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2ccc(F)cc2C)c1	748571520	CDMKONMTKZJOFX-UHFFFAOYSA-N	300.377	3.827	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(Cl)c2)cnc2ccccc12	748695788	ZLZYDQCASYXJBP-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)s1)c1nc(-c2ccccc2)no1	748998075	JQPPNYNRLVEYDX-XYOKQWHBSA-N	304.334	3.734	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc2c(c1)CCO2	749822954	FUCMXGGKQPHIPR-UHFFFAOYSA-N	320.348	3.522	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCC2(CCOCC2)CC1	751525778	GJTKNMWISYIRCR-UHFFFAOYSA-N	315.417	3.843	50	20	DHGD	
CCCCCc1ccc(NC(=O)NNC(=O)CC(C)C)cc1	755469001	OMACXPPXSISNSI-UHFFFAOYSA-N	305.422	3.618	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@H]2CCc3ccccc32)c1	755504826	LMAVBZFQWCPCEH-QGZVFWFLSA-N	322.408	3.514	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C[C@@H]1C[C@@H]1c1ccccc1	755570091	CSFZPIDXXHMALX-DOTOQJQBSA-N	312.800	3.788	50	20	DHGD	
CC(C)CCc1ccc(NC(=O)NNC(=O)C2CCCC2)cc1	756259036	KQGIOTOKKYDXKX-UHFFFAOYSA-N	317.433	3.618	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C2Cc3ccccc3C2)cc1	762256771	AQZVXHZHLACXJK-UHFFFAOYSA-N	308.425	3.842	50	20	DHGD	
C[C@@H](CC(=O)NNc1ncnc2ccsc12)CC(C)(C)C	766674104	OJGHHFGXWHRBQE-JTQLQIEISA-N	306.435	3.597	50	20	DHGD	
CSc1cc(C(=O)NNc2c(F)cccc2F)ccc1F	767084705	URCVLDYQEOLQIP-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@@H](C)[C@H](C)C1	767355148	CXFRXMADAIBFBZ-GHMZBOCLSA-N	308.809	3.891	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)ns1	768093702	OJZXBXVPXMPFDP-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(F)cc1C	768310482	CUUHPORTKXPWKJ-BBRMVZONSA-N	308.397	3.563	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@@H]1CCC[C@H](C)C1	768368596	ZYFBJFIEWAIMHD-UONOGXRCSA-N	320.458	3.716	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1coc(C2CC2)n1	777279198	OEINKVQEQXIHQN-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CC(C)[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	778494159	QITUZDXXQZFFIM-ZIAGYGMSSA-N	317.520	3.584	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]c3ncccc23)cc1	780805901	IKMZHUBMAQACJW-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	784446855	OTDBNKDKIUHBPN-UHFFFAOYSA-N	313.323	3.702	50	20	DHGD	
CCCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccsc1	785452735	YFDXVUGVSQMBGG-UHFFFAOYSA-N	317.370	3.591	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	786427432	RBACQPUBFABCOY-UHFFFAOYSA-N	323.736	3.722	50	20	DHGD	
CSSCCNC(=O)N1Cc2ccccc2C(C)(C)C1	790877947	JVKMKOVUXSPEIZ-UHFFFAOYSA-N	310.488	3.501	50	20	DHGD	
C=C(CBr)CN1C[C@@H](c2ccc(F)cc2)C[C@H]1C	791460540	JECYVJBDZYOFKB-OCCSQVGLSA-N	312.226	3.955	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NN=c1cc[nH]c2ccccc12	792323582	SFQHTGAIVZRFDS-UHFFFAOYSA-N	319.408	3.612	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1C2	798142985	VCXRKFXCBLIHNV-SRVKXCTJSA-N	322.840	3.523	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1cccc(C#N)c1	799597626	SMOFIFIDXHRKLI-AWEZNQCLSA-N	322.412	3.816	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)Nc1ccccc1)C1CCC(C)CC1	801989655	XWYVBSXUGSFHTD-XUJLQICISA-N	317.433	3.692	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCC[C@H]2CCCC[C@@H]21	806857776	WJARHOSUMNJPLL-QLFBSQMISA-N	324.428	3.679	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245175	QYCCWOQWSPWZKI-GXDHUFHOSA-N	309.325	3.843	50	20	DHGD	
CON(Cc1ccc(Cl)cc1)C[C@H](C)CBr	812911413	QROUXDIICIJXPV-SNVBAGLBSA-N	306.631	3.734	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cc2c(cn1)CCCC2	813013403	SZJZLTFCHPIPOZ-UHFFFAOYSA-N	314.364	3.557	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2coc3ccccc23)cc1	814997823	HVZQYYJDQWULLI-UHFFFAOYSA-N	309.325	3.597	50	20	DHGD	
C=C(CBr)CN1C[C@H]2CCCCN2c2ccccc21	815227557	BTFDYHWTGAEYDQ-CQSZACIVSA-N	321.262	3.817	50	20	DHGD	
CC(C)O[C@@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	815852348	QWXAZIZJGQUIDF-MRXNPFEDSA-N	320.339	3.574	50	20	DHGD	
C#CCC1(C(=O)NNc2ccc(OCC)cc2)CCCCC1	817916036	XGVDZOXCJWYZMI-UHFFFAOYSA-N	300.402	3.502	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccc(C)c(F)c2)c1C	822926799	QZPXIOLBAHWXFZ-NSHDSACASA-N	319.384	3.759	50	20	DHGD	
CC(C)COc1ccccc1C=NN(C)C(=O)OC(C)(C)C	834944438	NKSBBFCIVGROPG-UHFFFAOYSA-N	306.406	3.922	50	20	DHGD	
O=C(NN=Cc1sc2ccccc2c1Cl)[C@H]1CCCCO1	834988854	NTTCXESCHKCFJE-LLVKDONJSA-N	322.817	3.574	50	20	DHGD	
CCc1nocc1COC(=O)CCCC[C@H]1CCSS1	848692180	WEXVHJJFWNQISP-LBPRGKRZSA-N	315.460	3.994	50	20	DHGD	
Nc1cccc(CNCc2ccc(OCCCCl)cc2)c1	849350171	LTSXPMFWUPPGSG-UHFFFAOYSA-N	304.821	3.566	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2ccc(C)c(F)c2)s1	853473351	OTJOWJUXRYRAMW-NSHDSACASA-N	307.394	3.891	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](OC)c1ccc(F)cc1	861525923	GNAGURGPDZWLAQ-QGZVFWFLSA-N	316.376	3.527	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)ccc1Cl	863176117	FXDDTGUVOARNBN-LCYFTJDESA-N	318.804	3.704	50	20	DHGD	
Cc1cc(C)cc(OCCC(=O)NNc2cccc(Cl)c2)c1	913087150	IXMQYRHSHNGJDB-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1ccc2ccccc2n1	916244419	XAYPQBWJJJCHIO-UHFFFAOYSA-N	317.392	3.973	50	20	DHGD	
COC(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	916581078	FBLGVABCDQHSKN-UHFFFAOYSA-N	307.353	3.535	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1)c1ccc(F)c(F)c1	1253442947	PZCNYNLBJQMJME-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2)c1ccccc1	1319113512	UBTZDFYNLFTOGS-OOWUWCJESA-N	316.404	3.960	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1Cl)c1ccc(F)cc1F	1319596475	AHGHAIMQXZCPPN-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCC[C@H]([C@H]2CCOC2)C1	1336113720	HIYYYGNHFLPJDX-IRXDYDNUSA-N	321.848	3.704	50	20	DHGD	
Cc1ccc(NNC(=O)CCCCCC(C)C)cc1C(=O)O	1607809801	FEOMOGWRYGQOCY-UHFFFAOYSA-N	306.406	3.743	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(C(=O)O)c(F)c1	1777465103	HMUHNAHMXVOCDW-MDWZMJQESA-N	309.296	3.622	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2c(F)cc(C(=O)O)cc2F)sc1C	1777489270	SSHUIVNDWOPBPM-KMKOMSMNSA-N	320.320	3.801	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2[N+](=O)[O-])cc1	7765686	LSBSQXMOFDTVQA-MHWRWJLKSA-N	322.320	3.554	50	20	DHGD	
O=C(COc1ccccc1Cl)NNc1cccc(Cl)c1	30611377	TXVCZQMUZKSFAB-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cccc(/C=C(\C#N)C(=O)C(C)C)c1	44027291	SIRUJOXDDNVRSW-BEQMOXJMSA-N	320.392	3.951	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(c2cccc(Cl)c2)CC1	44597227	BXXJYIDJZMAREY-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)NNc1ccccc1F	92429151	XUBNHWCXVBXHAD-UHFFFAOYSA-N	303.337	3.681	50	20	DHGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1cccc(Cl)c1	128675943	OSCRDWCGFVHYBS-SECBINFHSA-N	307.781	3.582	50	20	DHGD	
N#CCc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	179014429	GEPPNTPDFUNCMM-UHFFFAOYSA-N	319.286	3.528	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc3nccn23)c1	180312415	NHMLIXPPEKFTNL-LFIBNONCSA-N	301.349	3.741	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	212127572	BYLMOTLGWSLVFD-WJDWOHSUSA-N	304.349	3.743	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1c(C)cccc1F	293528205	PCVOHXPHUYQSRE-UHFFFAOYSA-N	315.392	3.972	50	20	DHGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)N1CCCC1	491082780	JZCHYCSGCMHHLM-YVMONPNESA-N	301.198	3.584	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc(Cl)cs1)c1ccccc1	588600699	GQDCOFSARKVKTF-XFFZJAGNSA-N	302.786	3.971	50	20	DHGD	
COc1ccc(CN(C)C[C@H](CBr)C2CC2)cc1	701858962	NBCVJQMMITURGB-AWEZNQCLSA-N	312.251	3.548	50	20	DHGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNc1cccc(C#N)c1	727944452	GDXDXGVJGBZPNL-GDBMZVCRSA-N	300.406	3.543	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)COc2ccccc2F)CC1	729633608	PHXNBLROMUVIKF-UHFFFAOYSA-N	306.381	3.523	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)s1	731155797	TWGBMMZRZUEOSV-FMIVXFBMSA-N	312.394	3.865	50	20	DHGD	
Cc1ccc(COc2ccc(C=NNC(=O)C3CCC3)cc2)cc1	731933253	FVQKVHLFYRRQQF-UHFFFAOYSA-N	322.408	3.824	50	20	DHGD	
O=C(NN=C1CCOc2ccccc21)c1cccc2ccccc12	741462714	MHEQQLQLTSQGHW-UHFFFAOYSA-N	316.360	3.756	50	20	DHGD	
Cc1cncc(C(=O)NN=C(c2ccccc2)c2ccccc2)c1	742516655	FUBYWZVNMYZPEO-UHFFFAOYSA-N	315.376	3.572	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(C)[C@@H](C)c1ccccc1	746369627	YESSFMUEMIVSCV-CQSZACIVSA-N	310.397	3.534	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)C(C)(C)C	748748885	VFDOFNUCVIDIFE-JTQLQIEISA-N	313.239	3.883	50	20	DHGD	
CCCCN(C)CC1CCN(/C(=C/C#N)c2ccccc2)CC1	750802180	VZXVRUMNESDJBD-KEBDBYFISA-N	311.473	3.995	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H]1CCC[C@@H](C)C1	751165903	FWPGLMNNFHQNMY-NEPJUHHUSA-N	307.346	3.725	50	20	DHGD	
C[C@@H]1CC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H]1C	756625398	KJTOWDLBPSHNCT-HCDWPGPFSA-N	300.377	3.674	50	20	DHGD	
CC(CC1CCC1)=NNC(=O)c1cccc(Br)c1	758378464	NWQZLBFCQTXYJW-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)OC(C)(C)C)cc1	760050705	KTEATRJTMSCLAD-ZDUSSCGKSA-N	320.433	3.545	50	20	DHGD	
O=C(CSC(F)(F)F)NNc1c(Cl)cccc1Cl	763608924	IHXRAJLCXGTSAV-UHFFFAOYSA-N	319.135	3.690	50	20	DHGD	
Cc1cccc2c1CC[C@H]2NC(=O)[C@@H](Br)C(C)(C)C	767968254	LOAWIJWPTFZDSR-ZIAGYGMSSA-N	324.262	3.908	50	20	DHGD	
CC(C)(C(=O)NNc1nc2ccccc2[nH]1)C1CCCCC1	768495079	HBNBYUZJQCHQMM-UHFFFAOYSA-N	300.406	3.613	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccccc2)c1Br	769248642	SUOBJWSYTKLOOU-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1c(Cl)cccc1Cl	773368721	QWBJSDIBJYQJFV-VIFPVBQESA-N	318.248	3.603	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(Cl)cn1	774367292	GVJDECLIZODZEZ-UHFFFAOYSA-N	302.765	3.589	50	20	DHGD	
CC(C)(C(=O)NN=C1CCCNc2ccccc21)c1ccccc1	774384130	BSAYTCOWDTXNPH-UHFFFAOYSA-N	321.424	3.690	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccccc2[N+](=O)[O-])c1Cl	775653930	HOYQJRGWGDKIPH-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cc1ccncc1CCC=NNC(=O)c1cccc2ccccc12	776728359	CLCQXGLAPUEQBK-UHFFFAOYSA-N	317.392	3.892	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2ccc(-c3ccccc3)nn2)C[C@H](C)C1	780627076	UXMTVCMJUVJDII-ZIAGYGMSSA-N	324.428	3.659	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)C[C@H]1CCCCC1(C)C	780732878	PUAKTEDEGFPDMC-CYBMUJFWSA-N	318.417	3.523	50	20	DHGD	
C[C@@H](CCNC(=O)/C(C#N)=C\c1ccc(O)cc1)CC(C)(C)C	787569757	LOTOWICXQHBPGY-HNDQUVLASA-N	314.429	3.878	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)c1ccc2cc[nH]c2c1	792573801	PNBWDUHWDYQNCQ-ZDUSSCGKSA-N	323.234	3.940	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	793710771	QMISDQGWIINRBI-BXUZGUMPSA-N	312.360	3.948	50	20	DHGD	
CC(C)(C)[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	794349088	VRDBEBWTHPLBHT-SFKKXYGYSA-N	312.413	3.584	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCCF)c(C)n1C1CCCCC1	798059748	QJEZTGSWOJVGNA-WJDWOHSUSA-N	317.408	3.603	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cc(C)ccc1OC	799759401	OHVVKNIBGXQJJL-UHFFFAOYSA-N	312.413	3.560	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCCc2c(O)cccc21	799760250	CRACLSLBBLXYCA-KRWDZBQOSA-N	324.424	3.826	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C1CC(C)(C)C1	802829852	YNNXYBUZLBKKNK-UHFFFAOYSA-N	311.223	3.637	50	20	DHGD	
Cc1cccc(C2(C(=O)NCC(Cl)Cl)CCCC2)c1	808130841	BLAATSPHTCIMRX-UHFFFAOYSA-N	300.229	3.727	50	20	DHGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCC(Cl)Cl	816605995	UGOBTTOSHUMAFA-LLVKDONJSA-N	318.244	3.806	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Cc2cnccc2Cl)cc1	839788870	POJLGRFDCLXTLL-UHFFFAOYSA-N	303.793	3.544	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1F	849178264	CVAMVGUULULDCN-NTEUORMPSA-N	315.344	3.669	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2[C@H]3CC[C@H]2CC(C)C3)cc1	856245326	XCBPILOCAGMMDO-KZLRIVJYSA-N	324.424	3.782	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	876990239	VFOLMARYMHJYNF-UHFFFAOYSA-N	320.339	3.757	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)OC(C)(C)C)cc1OC	916266691	RZLWHWIYBFMHAO-UHFFFAOYSA-N	322.405	3.733	50	20	DHGD	
C/C(C=NNC(=O)NCCc1cccs1)=C\c1ccccc1	920831700	YJMSDRPRIDAPLF-OQCPVZIJSA-N	313.426	3.679	50	20	DHGD	
CCCCC[C@@H](C(=O)NNC(=O)c1ccccc1Cl)C(C)C	1322458373	ZUWCQUXKQJPARC-CYBMUJFWSA-N	324.852	3.954	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)cc1	1327797359	HKFRDHRJPMGCAV-INIZCTEOSA-N	308.381	3.749	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccn2C2CC2)cc1	1331389749	WGVOVDZKTLSNJO-WYMLVPIESA-N	321.380	3.767	50	20	DHGD	
O=C(NNc1ccccc1)c1csc(-c2cccs2)n1	72752026	ZTRKIYBFBWXQCE-UHFFFAOYSA-N	301.396	3.629	50	20	DHGD	
CC1(C)CCC(C)(C)c2cc(C(=O)NNc3ncccn3)ccc21	112041908	OKBDSVYWUKAASR-UHFFFAOYSA-N	324.428	3.583	50	20	DHGD	
O=C(CCCOc1ccccc1F)NNc1ccc(Cl)cc1	120152970	CUYFMQJZUQCDAI-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
Cc1ccc2c(c1)C(=O)/C(=C\c1cnn(CCCl)c1)CC2	125413495	IAPALPKMWAJVLK-DHDCSXOGSA-N	300.789	3.643	50	20	DHGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NNc1ccccc1F	153143592	KHJQMLSRUUGNCI-LLVKDONJSA-N	322.380	3.836	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)c1	154290573	VYVJCFXMROSVOH-PDGQHHTCSA-N	321.376	3.810	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2ccccc2Cl)cc1	158267424	FZYBOKHQBHMSRW-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1cccc2cnccc12	178515589	FGVSJMKSUDAXCL-GJZGRUSLSA-N	323.421	3.852	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	179724864	BITRYNGOXMMISY-UKTHLTGXSA-N	318.380	3.562	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cccc(C(=O)O)c2Cl)n1	193864056	DUXWODHJYNOBGM-BJMVGYQFSA-N	304.758	3.867	50	20	DHGD	
CCOCc1cc(/C=C(\C#N)C(=O)C(C)(C)C)ccc1OC	195088899	ZWWKGCPHFDQLDA-NTEUORMPSA-N	301.386	3.754	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	728699184	RBDSBJODJVVTOR-OJNRTJSBSA-N	320.323	3.906	50	20	DHGD	
CC1(C)C[C@H]1CNC(=O)NNc1ccc(Cl)cc1Cl	732894555	YOURTCQOBYZAJL-QMMMGPOBSA-N	302.205	3.666	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@@H]1C	742026410	OGHLNUTYGXOYKR-NBPIZXPBSA-N	318.804	3.597	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)c2ccc(Cl)nc2)C1	743439239	SWLOMBZMJSSPHV-UHFFFAOYSA-N	313.788	3.707	50	20	DHGD	
CN(Cc1ccccc1)CC(C)(C)C=NNC(=O)OC(C)(C)C	747625521	LWMVGURNPUHSEK-UHFFFAOYSA-N	319.449	3.655	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1ccccc1Cl	748317254	GALVHKHPUILVSO-HNNXBMFYSA-N	318.804	3.949	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2cccnc2Cl)cc1	754485016	BZAIWRCJXNLJCG-UHFFFAOYSA-N	317.820	3.619	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@H]2CCc3ccccc32)cc1C	755508256	MPSKTWZJPMZVDM-QGZVFWFLSA-N	322.408	3.514	50	20	DHGD	
Cc1oc2ccccc2c1C=NNC(=O)CCc1ccccc1	758115460	DNGRGDKFPOYUAM-UHFFFAOYSA-N	306.365	3.824	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)c2nnc3n2CCCCC3)s1	758417930	YOIGSSLPIFTRNF-XYOKQWHBSA-N	313.430	3.649	50	20	DHGD	
CC(C)(C)C[C@@H](NC(=O)NNc1ccccc1F)C(F)(F)F	760051737	HQKNJEGMWNTTFF-LLVKDONJSA-N	321.318	3.819	50	20	DHGD	
CCCCSCC(=O)NNc1ccc(OC(F)(F)F)cc1	761580645	FSSLXKLNEFULHC-UHFFFAOYSA-N	322.352	3.562	50	20	DHGD	
Cc1cccc(CN(C)C(=O)[C@@H](Br)C(C)(C)C)c1	767031783	WUOPBJIUSCYXHL-CYBMUJFWSA-N	312.251	3.763	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc2cc(F)ccc2o1	770375472	QRCGXIIOINUMDT-MRVPVSSYSA-N	315.138	3.760	50	20	DHGD	
C[C@@H](NC(=O)NNc1c(F)cccc1Cl)c1ccccc1	771287942	VYMAKCDJRVHKCI-SNVBAGLBSA-N	307.756	3.866	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cnc3ccccc3n2)cc1	774789237	VOFCLXAYADEHIL-UHFFFAOYSA-N	320.396	3.729	50	20	DHGD	
CC(C)Oc1cc(F)ccc1NC(=O)NNc1ccccc1	779130978	FOSZITLJHVRVHP-UHFFFAOYSA-N	303.337	3.762	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)NOC1CCCCC1	779687588	IQGAQBOBPGIDKI-UHFFFAOYSA-N	317.311	3.596	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc2cnccc2c1	779753124	VGUHRLCJLTVNRK-WPIHAHMVSA-N	319.408	3.837	50	20	DHGD	
C[C@H]1CCC[C@@H](OCCCCCC(=O)N2CC=C(C#N)CC2)C1	780686798	YDIIYLUYIXNVNW-FUHWJXTLSA-N	318.461	3.824	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1Cl)C(=O)C1CCCC1	783687422	IWDVLVCWOXPFAW-GHXNOFRVSA-N	304.733	3.914	50	20	DHGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)c2c(C)nc3ccccn23)C1	783798131	YTMAYNGRSPUZIY-CABCVRRESA-N	312.417	3.575	50	20	DHGD	
Cc1ccc(OCCOC(=O)/C(C#N)=C\c2ccccc2)cc1	785362604	FNFFMZDOAOWVPL-LGMDPLHJSA-N	307.349	3.524	50	20	DHGD	
CCCC1CCC(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	787159784	OJSNZMNWVGCFOQ-VBKFSLOCSA-N	312.413	3.774	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1ccc2c(c1)OCO2	788954428	JOFJQARSQSKXMC-UHFFFAOYSA-N	302.374	3.658	50	20	DHGD	
CSC1(CNC(=O)NNc2c(C)cc(C)cc2C)CCC1	789289442	JVYCLMSUJDZLIK-UHFFFAOYSA-N	307.463	3.524	50	20	DHGD	
CCc1c(C(=O)NNc2ccc(C)cc2)cnn1C(CC)CC	792224028	OCCXHEIGMPLBIA-UHFFFAOYSA-N	314.433	3.872	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1cc(C)c(C)o1	799869973	RHQGFUDIIPFQOC-UHFFFAOYSA-N	302.399	3.601	50	20	DHGD	
CCC[C@]1(NC(=O)CCCC[C@H]2CCSS2)CCOC1	804537568	YBUYHCNLPHFXLL-ZFWWWQNUSA-N	317.520	3.776	50	20	DHGD	
Cc1nc2cc(F)ccc2cc1C(=O)N(C)CC(Cl)Cl	808247887	UZBGYNKLISYMLV-UHFFFAOYSA-N	315.175	3.558	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)c1c(C)noc1C	812767156	DYGJEEFGSVOZMJ-GFCCVEGCSA-N	315.417	3.970	50	20	DHGD	
CC(C)(C)C(=O)NN=C1CC(c2ccc(Br)cc2)C1	814805184	AYGYAACQOJNTRD-UHFFFAOYSA-N	323.234	3.845	50	20	DHGD	
COCC(C)(C)C=NNC(=O)Nc1ccc(Cl)cc1Cl	814996088	KIZGRZGASFIWOD-UHFFFAOYSA-N	318.204	3.773	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)Nc1cc(F)cc(F)c1	815004814	CLWWHZURJWVFLT-UHFFFAOYSA-N	315.732	3.835	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1cc(F)c(F)cc1F	815856485	NIWSJJNUGTZGHV-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)N(C)CC(Cl)Cl	816628261	NOJDYHPXPKWLHQ-VIFPVBQESA-N	308.636	3.781	50	20	DHGD	
CC1(C)CCC[C@H]1CNC(=O)/C(C#N)=C/c1ccc(F)cc1	819174139	IQIXMLKQUJJQGU-IPJDOKCGSA-N	300.377	3.675	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(F)cc1	834421038	NWHVKOUUFKMROB-CJAAZZPWSA-N	311.360	3.748	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@H]1C[C@@H]1C1CC1	846462793	XHKXWWCPQFZBJE-MSOLQXFVSA-N	306.409	3.767	50	20	DHGD	
N#CSCCCNC(=O)c1ccccc1SC(F)(F)F	854362967	JFONUAFCHALKAA-UHFFFAOYSA-N	320.361	3.633	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccc(Cl)cn1	856095282	KNFMOXPYCHAAQS-UHFFFAOYSA-N	318.808	3.704	50	20	DHGD	
CC(C)(C)c1nc(CNC[C@@]2(C)C[C@@H]2Br)cs1	856807412	NZBLQVQLWZOFJO-GXFFZTMASA-N	317.296	3.704	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2c(C)cccc2Cl)c1	857474166	USLWSSFFLIPEOU-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
N#CSCCCNC(=O)c1cc(C(F)(F)F)ccc1Cl	861551630	PYFBZDLFJKAJDT-UHFFFAOYSA-N	322.739	3.693	50	20	DHGD	
CC(=O)c1ccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)s1	899892105	CKHIVJLGAHGFDB-UHFFFAOYSA-N	319.338	3.695	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C2CC3(CC3)C2)C1	912579300	VMYDTGCGMXCVIE-CQSZACIVSA-N	309.526	3.799	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)NNC(=O)c1ccc(CC)cc1	915886988	JXLYVAFTSQAJPG-CQSZACIVSA-N	319.449	3.552	50	20	DHGD	
O=C(NN=C(CC(F)(F)F)c1ccccc1)c1ccccc1	915934325	XTUZXIGCCSPOKA-UHFFFAOYSA-N	306.287	3.773	50	20	DHGD	
CN(Cc1ccccc1F)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	916146847	AITFUADLGAKWQD-MFOYZWKCSA-N	311.316	3.730	50	20	DHGD	
CCC(=NNC(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1	916581694	MOXJLDBEYKMTEB-UHFFFAOYSA-N	314.332	3.927	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(Cl)c(C)c2)o1	928339822	LAXFJEDWBSHPOQ-UHFFFAOYSA-N	307.781	3.654	50	20	DHGD	
O=C(CCl)Nc1ccc(-c2nc3ccccc3s2)cn1	1336910779	CTNLFIHVXKQEPP-UHFFFAOYSA-N	303.774	3.536	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H](OC2CCC2)CC1	1350144800	ULDCSWMQKNUUCT-ZBCRRDGASA-N	313.869	3.734	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1cc(C(F)F)ncn1	1352053521	YUGIDHTYTPUDCD-UHFFFAOYSA-N	317.456	3.872	50	20	DHGD	
O=C(NN=CCC1CCCCCC1)Nc1ccc(C(=O)O)cc1	1776045245	JOXUHIQLMYMQSU-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2ccc(F)cc2)c1	51320467	MMJHNRBXIIYZRN-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(C)cc2)c1C1CC1	89689482	SHPUIKMNDLDRQQ-CYBMUJFWSA-N	312.417	3.797	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc2c(s1)CCCC2	118516366	KEAOKLDADZJSRG-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2cccc3cccnc23)c1	121886178	PIOZZGDKVMPIOU-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1ccc(F)cc1Br	135000031	LLFVVVJPTBBFAS-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1	153085668	TXCHQPBQRNDFBG-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
Cc1ccc(NNC(=O)c2c(O)cc(Cl)cc2Cl)cc1	158885915	VFFSTTHTNGWKGO-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Cl)c(F)c1	158958961	JZNFAGFETNVHTA-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	172692732	AKIYSBUHZQRQCZ-LERPTODRSA-N	323.396	3.998	50	20	DHGD	
C[C@H](CBr)CN1C[C@@H](C)O[C@H](c2ccsc2)C1	248697255	JZIUHCKCYAKNHQ-WZRBSPASSA-N	318.280	3.541	50	20	DHGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)CC1CCCC1)c1ccccc1	735116077	ZAAXGSBTRHTMJH-KDOFPFPSSA-N	316.445	3.544	50	20	DHGD	
O=C(NN=Cc1sc2ccccc2c1Cl)c1ccccn1	744517080	ZJXYXXPZYDFZCJ-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(F)cc1Br)C(C)(C)C	748074764	BCKSIOCKYVMQLE-MRVPVSSYSA-N	317.202	3.714	50	20	DHGD	
O=C(NN=Cc1ccccc1C1CC1)c1cc2c(s1)CCC2	751130264	WKUIKGMJWXHBSD-UHFFFAOYSA-N	310.422	3.878	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)C(=O)NCc1ccccc1	758017173	LCUSXDPCOXGKHK-HASPRUBHSA-N	324.330	3.744	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@]2(C)CCc3ccccc3C2)c1	760134251	UQMTWCKTXVJRHH-LJQANCHMSA-N	312.388	3.772	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)CSc2ccccc2OC)C1	761269316	ARMJTCJDFMWTPS-ZDUSSCGKSA-N	320.458	3.860	50	20	DHGD	
CCC1(C(=O)NNc2nc(-c3ccccc3)no2)CCCCC1	764110741	SWJOXNXFEIJFDX-UHFFFAOYSA-N	314.389	3.540	50	20	DHGD	
Cc1ccccc1C1(C(=O)OC[C@@H](C)CBr)CC1	770371814	SEWVTYYKRXDCFC-NSHDSACASA-N	311.219	3.601	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(C2CC2)cc1	772425831	HLEINMCWFHZNOY-UHFFFAOYSA-N	317.820	3.868	50	20	DHGD	
N#C/C(C(=O)c1cc(F)cc(F)c1)=C1\COc2ccc(F)cc21	773171748	OSUDMQQHMPHACM-PFONDFGASA-N	315.250	3.656	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NOC2CCCCC2)cc1	779693629	NELLBLBKKUZVJL-UHFFFAOYSA-N	305.422	3.875	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)COCc1ccccc1)C1CC1	787158056	QRGUXKDWUXVJLK-UHFFFAOYSA-N	302.418	3.522	50	20	DHGD	
N#C/C(=C/c1ccsc1Cl)C(=O)c1ccc2c(c1)OCO2	790099388	FWQHWHCJOMIMMR-WZUFQYTHSA-N	317.753	3.920	50	20	DHGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNc2ncccc2C)cc1	792263937	FJRYJGXRVULDCJ-CYBMUJFWSA-N	314.389	3.716	50	20	DHGD	
C[C@@H]1OCC[C@H]1COC(=O)CCCC[C@@H]1CCSS1	793438426	ROTMUUYSFUOCLF-RWMBFGLXSA-N	304.477	3.669	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H]1Cc2ccc(F)cc21	793711065	BEIASGBXVCNUPZ-CQSZACIVSA-N	324.277	3.628	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)COCc1ccccc1)c1ccccc1	794514420	JUQKGNXLNCLBIY-LJQANCHMSA-N	324.424	3.745	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1cccc2ncccc12	799480173	OZOVTSIYFPDQIH-UHFFFAOYSA-N	317.339	3.776	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNC(=O)Nc1ccc(Cl)cc1	802020173	KUJGUIOUGFURIP-NWDGAFQWSA-N	323.824	3.709	50	20	DHGD	
CCN1CC[C@H](N(C)CCO[Si](C)(C)C(C)(C)C)C[C@@H]1C	808732128	BXXTVMPKXWJBSF-HOTGVXAUSA-N	314.590	3.813	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)c(O)c1	814810694	FTTPVQUIKIRUGM-HNNXBMFYSA-N	308.381	3.754	50	20	DHGD	
CCOc1ccc(NNC(=O)c2c[nH]cc2-c2ccccc2)cc1	817904493	IHVCHFJQAHVEBZ-UHFFFAOYSA-N	321.380	3.837	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(c3ccccc3C)CCC2)cc1	817911165	LDKSDBUPNHTLAJ-UHFFFAOYSA-N	324.424	3.959	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C(C)(C)C2CCOCC2)cc1	837058616	OKBPKDJLVODARJ-UHFFFAOYSA-N	304.434	3.706	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)NNc2cc(F)ccc2C)s1	855366422	FOWKNYRGGPZUKS-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
C[C@H](CCC(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093244	RFZYBGXCDFEFQG-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
CC1(CC(=O)NNc2ccc(Cl)cc2Br)CC1	856232882	PRUVPDVGOXKFGX-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nn(C)c2ccccc12	861791425	FHWWKSBEIKFXIS-UHFFFAOYSA-N	322.412	3.762	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCCC(F)(F)C1	885127950	ZTRNYUPEAKANHO-JTQLQIEISA-N	302.752	3.917	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC(C)C)c(C)n1CC(C)C	912567614	GIHDBWJZFFQBJQ-VCHYOVAHSA-N	315.461	3.830	50	20	DHGD	
CO[C@@H]1CCCCC1=NNC(=O)c1ccc(Cl)cc1Cl	915953018	NYURMMGCCXUQAZ-CYBMUJFWSA-N	315.200	3.668	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C(C)C1CCCCC1	916301921	FVWFAQRGADCJFI-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2sccc2C)cc1	916345496	BNQVBJQJSJPVDT-UHFFFAOYSA-N	304.440	3.607	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1F)c1ccccc1Cl	1116368160	HEAKFFBRODNNSF-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
BrC[C@H](CN1CCC=C(c2ccco2)C1)C1CC1	1261797331	DNVWRHAIWKYXKC-CQSZACIVSA-N	310.235	3.790	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2ccccc2Cl)c(F)c1	1328384421	JYFDTFADXCQOMK-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC2CCC2)c1C	1339093131	POUVNENARXFGFO-WQRHYEAKSA-N	313.445	3.680	50	20	DHGD	
CC[C@@H](C)n1nccc1C(=O)NNc1cc(Cl)ccc1C	1353039563	RWUHTVGNBZTHTL-LLVKDONJSA-N	306.797	3.573	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1Cl	1595568023	XAZXYATWZRIGMC-SEEODLKFSA-N	305.761	3.950	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNc1cccc(F)c1C(=O)O	1595699173	XITSNNFSSMUYQR-LBPRGKRZSA-N	324.396	3.964	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)cc1	5155729	BECHEEHYYFAXMC-XNTDXEJSSA-N	322.364	3.563	50	20	DHGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(\C#N)C(=O)C(C)C	44027147	RTGKPVWDNLIPBS-NTEUORMPSA-N	311.360	3.760	50	20	DHGD	
COC[C@@H](C)O[C@@H](CBr)c1ccc(Cl)cc1	69735667	ZPPSXIUCFIYFLL-SKDRFNHKSA-N	307.615	3.828	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc(F)c(F)c1	91985028	UXRKFLCINDWEMP-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ccccc2F)c1	153158661	NZQLENIVUDZICW-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)c(F)cc1F	153504992	DHRMNURXDPDSAA-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2occc2[nH]1	154143041	LOKWYPAKTBKJFG-UHFFFAOYSA-N	309.247	3.537	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2ccc(F)cc2C)cc1	161060538	OWPZCOMXOJPNGD-UHFFFAOYSA-N	314.360	3.549	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175478342	KMUQHCCTFMGLKT-LBPRGKRZSA-N	308.303	3.741	50	20	DHGD	
Cc1cc(C)cc(N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)c1	188239143	LDAKAFMTHLDIAZ-LFIBNONCSA-N	306.365	3.579	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1F	195501922	WZQJUTQHUNJFIU-FMIVXFBMSA-N	314.291	3.519	50	20	DHGD	
COc1cccc(CCC(=O)NNc2cc(C)cc(C)c2)c1F	285817805	RFAULQOLXADXCG-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
N#C/C(=C/c1cnc(C2CCC2)s1)C(=O)NC1CCCCC1	490725992	MALQIMVYPWTPJN-LCYFTJDESA-N	315.442	3.766	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	588554928	AIQURQXSMDYXMH-XFXZXTDPSA-N	321.398	3.853	50	20	DHGD	
CCOC(=O)NN=C1CCCC[C@@H]1c1ccc(OC)c(F)c1	732711025	YUAHSBHVWRDLME-GFCCVEGCSA-N	308.353	3.594	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccc2)c(OC(F)F)cc1C	743417177	FUOGJNFUANUYND-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746773355	VDHDCAPUUXUQNW-BDAKNGLRSA-N	303.328	3.555	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC2(C)C)c(C)n1CC(C)C	747400246	OTCRXZDKZHPENW-LICLKQGHSA-N	313.445	3.679	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)C[C@H](C)CC)cc1	748566402	COSVYNQRERWDAQ-UHVIJJLKSA-N	314.429	3.887	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(Cl)cc2)CCc2ccccc2C1	749274129	FVYQBJNSGYBPSN-SFHVURJKSA-N	314.816	3.978	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2ccccc2C2CC2)c1	751132079	ZUIZRRZBHQEOFH-UHFFFAOYSA-N	322.408	3.710	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1C[C@@H]1Cc1ccccc1	768178576	DPPJDQQWSLTYHP-BFHYXJOUSA-N	324.262	3.543	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(F)cc1C(F)(F)F	771885250	QFEWEVOFENFFAS-UHFFFAOYSA-N	324.277	3.917	50	20	DHGD	
CC[C@H](C)[C@@H](NC(=O)NNc1cccc(Cl)c1)C(F)(F)F	772528238	ZFLQBOFFQQNXMP-GZMMTYOYSA-N	323.746	3.943	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2cnc3ccccc3n2)CC1	774770086	KKOMPQYHJKALKM-UHFFFAOYSA-N	312.417	3.679	50	20	DHGD	
COc1ccc(NC(=O)[C@H](Br)C(C)(C)C)cc1F	781076156	OYBYPUCPIAYFTG-NSHDSACASA-N	318.186	3.582	50	20	DHGD	
Cc1cccc(NNC(=O)c2ncsc2-c2ccccc2)c1	783881093	VTWXMIPNUKBIDI-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
COC1(C=NNC(=O)Nc2ccc(C)cc2Cl)CCCC1	790168408	UDCJCHLNESGMIO-UHFFFAOYSA-N	309.797	3.715	50	20	DHGD	
CSSCCNC(=O)c1cc(F)cc(C(F)(F)F)c1	791094313	HPEWCJSABTWGDU-UHFFFAOYSA-N	313.341	3.586	50	20	DHGD	
CSSCCNC(=O)C(c1ccccc1)c1ccccc1	791115530	AXQVJOJRYJSGKB-UHFFFAOYSA-N	317.479	3.946	50	20	DHGD	
CC(C)(C(=O)NN=C1CCC[C@@H]1c1ccccn1)c1ccccc1	794910471	ZQDUGXQLXZJYAB-MRXNPFEDSA-N	321.424	3.799	50	20	DHGD	
N#C/C(=C/c1cnn(CC(F)F)c1)C(=O)c1cccc(Cl)c1	814182720	LFLRKUNJPVKOTL-QCDXTXTGSA-N	321.714	3.591	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1)c1ccccc1OC(F)F	814686341	YYEOAOMWWZYKKB-UHFFFAOYSA-N	318.323	3.832	50	20	DHGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747945	ORCQVGFODRXNTR-WCBMZHEXSA-N	302.205	3.658	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]1c1ccccc1	827516109	MFUKJAIPIOTHNO-HUUCEWRRSA-N	320.396	3.590	50	20	DHGD	
CCCc1ncc(C(=O)NNc2c(C)cccc2Cl)s1	836932933	DTEOPZYJXAQIIU-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2ncc(F)cc2F)cc1	837206589	MZZLQWVFRHNCOP-LLVKDONJSA-N	319.355	3.559	50	20	DHGD	
CCCCO[C@H](C)C(=O)NNc1cccc(Cl)c1Cl	838343328	PTNPLGJIKJYODC-SECBINFHSA-N	305.205	3.642	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1C[C@@H](C)O[C@H]1C	840430382	NULXXLOWSPMBLL-ILXRZTDVSA-N	319.449	3.558	50	20	DHGD	
COc1cc(NNC(=O)C[C@H](C)c2ccco2)ccc1Cl	861402303	SJNHMDUCIOWHOI-JTQLQIEISA-N	308.765	3.579	50	20	DHGD	
CC(CCc1cccc(F)c1)=NNC(=O)c1cc(C)cs1	863155476	MMVZBMPVWHZJQT-UHFFFAOYSA-N	304.390	3.934	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccnn2CC2CCC2)cc1	868781774	FDSFYULUXUSMJP-UHFFFAOYSA-N	312.417	3.564	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cc(C(=O)O)co2)s1	899371496	RCPXFFIPDOLFGY-WTKPLQERSA-N	302.355	3.796	50	20	DHGD	
O=C(CC1CCCC1)NNc1ccnc2cc(Cl)ccc12	913188322	NXIANHZULIDUIC-UHFFFAOYSA-N	303.793	3.912	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1	915977648	XAUHCZJAUUTVGT-HNNXBMFYSA-N	310.397	3.762	50	20	DHGD	
CCSCc1ccc(C(=O)NN(C)c2ccccc2)cc1	917697850	AYYXOOLNRQORKJ-UHFFFAOYSA-N	300.427	3.721	50	20	DHGD	
Cc1ccccc1OCCC(=O)NNc1cccc2c1CCCC2	1116344144	RMBFYYAKVKIKCH-UHFFFAOYSA-N	324.424	3.786	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@@H](c2ccccc2)C(C)C)cc1	1321099457	HRNHHQJPVQTLBD-GOSISDBHSA-N	310.397	3.851	50	20	DHGD	
O=C(CCl)N[C@H](c1ccc(Cl)cc1)c1ccsc1	1323268143	ABCMPEKPDSZDQI-CYBMUJFWSA-N	300.210	3.846	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@@H]1CCC[C@@H]1c1ccccc1	1326479938	CCYVTYKOULMKJK-ZIAGYGMSSA-N	316.351	3.992	50	20	DHGD	
O=C(NN=Cc1ccc2c(c1)CCC2)c1cc2ccccc2o1	1331095377	NPMLETOXPXSSNN-UHFFFAOYSA-N	304.349	3.685	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)ccc1F	1335667684	YPDRNBOJIWOJCZ-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(-c3cccc(F)c3)s2)CC1	1545861436	DIYLFYKXJUFPAL-UHFFFAOYSA-N	312.369	3.850	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1	57405708	UCYCJFOZNAEVCD-WJDWOHSUSA-N	301.386	3.970	50	20	DHGD	
Cc1noc(C)c1C(=O)NN(Cc1ccccc1)c1ccccc1	68741575	YMVZGKTVWZCCJX-UHFFFAOYSA-N	321.380	3.643	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)c1	78934588	ORLZMIBNMFQWMG-RYUDHWBXSA-N	300.324	3.807	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(C)s1	105605052	KTNSBQZFXDCXSG-PTNGSMBKSA-N	307.374	3.858	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1nc(Cl)ccc1Cl	120405496	ICYZEAGHSKRVRQ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cccc(C(=O)NNc2cc(F)c(F)c(F)c2)c1Cl	123674757	CRHRBCSWQQNMIC-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
O=C(CCC1CCC1)NNc1ccc(OC(F)(F)F)cc1	134252775	HIGDMWJSDQDEHJ-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1F	155029410	ZMIZQFARGKKTKT-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CCc2ccc(Cl)cc2)c1	155935667	JWSKTXHCYQHLML-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1cccc(Cl)c1	171274808	DUUZTEGTDIYIKR-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
Cc1cscc1C(=O)NNc1ccc(Br)cc1	175078244	FUHJIDGKMZGZJD-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
C[C@@H](CC(=O)N1CC=C(C#N)CC1)Cc1ccc(Cl)cc1	272634453	CBJWCPNKRZOPLP-CYBMUJFWSA-N	302.805	3.591	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(F)cc2C#N)cc1	728614634	GSUTYFNSXOPHJS-IUXPMGMMSA-N	320.323	3.656	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC[C@H]2C)c(C)n1-c1ccccc1	729140771	MEOXKQWLGZZPCA-CYBMUJFWSA-N	309.413	4.000	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CCc2c(Cl)cccc21	734273713	ZEYSBAIPCMQIBL-OAHLLOKOSA-N	301.777	3.654	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc2ccccc2n1)c1ccccc1	741464187	NGIYFFJHALQIQS-UHFFFAOYSA-N	317.392	3.663	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1	741466888	GOSKJURLSNIRGL-XNTDXEJSSA-N	314.410	3.849	50	20	DHGD	
C[C@H]1CC[C@H](C)N1CC(=O)NN(c1ccccc1)c1ccccc1	746111685	DZPBYIARQOWRMJ-IRXDYDNUSA-N	323.440	3.729	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	769557011	OEMVSMWGGADBKR-UWVGGRQHSA-N	311.769	3.518	50	20	DHGD	
Cc1ccc(C)n1C1CCN(C[C@@H](C)CBr)CC1	770649089	JHGXUJSRHKRDFG-LBPRGKRZSA-N	313.283	3.773	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1nccnc1C(C)C)C(C)C	772846861	FLYUUSMBDNGHRX-AWEZNQCLSA-N	306.454	3.896	50	20	DHGD	
C=CCC[C@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1	777762967	VFEWPJBTSGHTIS-SFHVURJKSA-N	322.408	3.506	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(C(=O)OC)c1	780793360	WNUSHYPYNRIPGA-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cnc2ccccc2c1	781070598	MJQBBOLTDCQVIY-ZDUSSCGKSA-N	321.218	3.983	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NNc1ccc(F)c(F)c1F	787454911	IQPXFDCQDWRTQV-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CSC1(C(=O)NNc2ccnc3cc(Cl)ccc23)CCC1	787865478	BXWGPGZQVLTOBM-UHFFFAOYSA-N	321.833	3.617	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2cccc(F)c2F)o1	790158212	VNFHFDREOZJVGT-JTQLQIEISA-N	306.312	3.721	50	20	DHGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)[C@H]1CCCOC1	794884640	QXBHDGHCQOLIKL-JGWKKKPCSA-N	316.426	3.703	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cnn(CCCl)c2)s1	797405828	JFWPCKGRWHNDMD-SDQBBNPISA-N	320.849	3.940	50	20	DHGD	
CCCNC(=O)NN=C/C(C)=C/c1ccccc1C(F)(F)F	799876984	IBMZNPRPQILDQD-LIPARGRZSA-N	313.323	3.804	50	20	DHGD	
CC[C@H](CC(=O)NNC(=O)Nc1ccc(Cl)cc1)C(C)C	802022628	OSPIBYGZZDCFPU-LLVKDONJSA-N	311.813	3.565	50	20	DHGD	
CSSCCNc1nnc(Cc2ccc(F)cc2)s1	804699165	DUAWXZQRXXPZOP-UHFFFAOYSA-N	315.464	3.691	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H]1CCC[C@H](C)C1	805374753	QHHRBVSVHPUDQE-WCQYABFASA-N	305.378	3.563	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2ccc(Cl)cc2Cl)c1O	814761920	GGLMHADCJOJSFO-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)CSc1ccccc1O	814970726	ADFUXSRGESVJMS-LBPRGKRZSA-N	308.447	3.803	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3cc(Cl)ccn3)CCC2)cc1	819472929	CTUXBPOWCFKOQP-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
Cc1cc(Cl)c(NS(=O)(=O)CCCCCl)cc1C	830074069	DLQXKJJFHSJDSR-UHFFFAOYSA-N	310.246	3.718	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C1CCC2(CC1)CC2	830810609	RAGUWHKGKCRRNF-UHFFFAOYSA-N	323.780	3.662	50	20	DHGD	
CCCCn1cc(C(=O)NNc2c(C)cccc2Cl)c(C)n1	836935995	DZVPYGKUDDAZSP-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
CO[C@@H](CNC(=O)CCCC[C@H]1CCSS1)CC(C)C	841443931	KHELEPVYNKGLFJ-KGLIPLIRSA-N	319.536	3.878	50	20	DHGD	
CNCCC1CCN(Cc2ccc(OCCCCl)cc2)CC1	843057405	KNYHWOSEQHGXBR-UHFFFAOYSA-N	324.896	3.516	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCCC(F)(F)C1	846358948	FXCKJXYALXJQHJ-NSHDSACASA-N	309.447	3.958	50	20	DHGD	
CC(C)(C)[C@H](NC[C@H](CBr)C1CC1)C(F)(F)F	859237375	HGDCDNIQBOFCNV-UWVGGRQHSA-N	316.205	3.974	50	20	DHGD	
Cc1noc(C)c1C(C)(C)NC[C@H](CBr)C1CC1	859301891	QUWMDXYTKYMTHM-LBPRGKRZSA-N	315.255	3.537	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)c(C)c1	860318356	UGMFLRCZWSNOMF-OKZBNKHCSA-N	306.409	3.641	50	20	DHGD	
Cc1ocnc1C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891545805	NJIIRKKYSPIYNW-ZDUSSCGKSA-N	324.497	3.609	50	20	DHGD	
CC1(C)CN(C(=O)[C@]2(C)C[C@H]2Br)[C@H]1c1ccccc1	906387940	IGZNOHLXNBHNBN-DVOMOZLQSA-N	322.246	3.770	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C[C@@H]3CC=CCC3)cc2C1	916353607	QZGKMBGIGHZMMQ-QWHCGFSZSA-N	302.443	3.945	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1ccccc1-c1ccccc1	917516062	IOOZDRYVAAMTJI-PWDRBQJJSA-N	321.376	3.839	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(C)cc(C)c2)cc1	921259480	URFXEEXYOQPRRD-WQRHYEAKSA-N	311.406	3.950	50	20	DHGD	
CC(C)(C)[C@@H](Br)c1nnc(Cc2cccnc2)o1	1331909509	YQINJVKMKOBZHN-NSHDSACASA-N	310.195	3.538	50	20	DHGD	
Cc1c(NNC(=O)C[C@H](C)C2CCCCC2)cccc1C(=O)O	1600052853	VMUQHABILFKEOW-LBPRGKRZSA-N	318.417	3.743	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1csc([N+](=O)[O-])c1	53102242	SAZBMEUXEKWASM-WUXMJOGZSA-N	313.338	3.510	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)c2c(C)nn(CCCl)c2C)cc1	74434025	FIZLUYRDPWZXPA-LBPRGKRZSA-N	319.836	3.538	50	20	DHGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNc1ccccc1	98071078	RDMWPBDNIZPVCT-CQSZACIVSA-N	312.413	3.895	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1	107099407	OXQBDIUBNMKMAZ-PTNGSMBKSA-N	301.386	3.624	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H](C)c1ccccc1)c1ccccc1	110344978	LUIVXYMZJDIOHG-CRAIPNDOSA-N	324.424	3.521	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)Cc1ccc(F)cc1	119041315	OHDZIOFRZSYTSI-GFCCVEGCSA-N	304.340	3.595	50	20	DHGD	
O=C(CCc1ccc(Cl)s1)NNc1ccncc1Cl	154810775	DXIIPMWXJNFJSM-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccccc1SC(F)F	163741130	QXKVMEAKBNSYDR-UHFFFAOYSA-N	310.329	3.545	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccc(Cl)c1	172092088	MCIOCKGAKZZCFP-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc3c(C)cccn23)s1	172692074	IJBSFMFCWUTPPJ-MDWZMJQESA-N	307.378	3.803	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2ccc(Cl)cc2)cc1C	180774016	XKJDHSYZYKIIKK-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
CCC1(C(=O)NNc2cccc(C(F)(F)F)n2)CCCCC1	184352556	JVTZCPNZRRDYQS-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)NCC(C)C)cc1	206283017	GFMPGVSSFOSORE-WJDWOHSUSA-N	300.402	3.545	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(-c2ccccc2F)s1	254386473	SUODSCGQIFFVPT-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	266511775	HUZXNJORSGLNBN-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2scnc2C2CC2)cc1	491011114	NUTUJRGLMBHEKO-JYRVWZFOSA-N	309.394	3.875	50	20	DHGD	
CCCN(N=C1CC[C@H](CC(=O)O)[C@H]1C)C(=O)OC(C)(C)C	495589490	AKYKJHPGMLBMAF-VXGBXAGGSA-N	312.410	3.510	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1	728433681	MIHXPLCLYPZIBC-LBPRGKRZSA-N	318.323	3.807	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(O[C@H](C)C#N)cc1	728700795	XEHZTPRTOVYELB-KMHUVPDISA-N	306.321	3.669	50	20	DHGD	
CC(C)(C(=O)NN=Cc1c[nH]c2ccc(F)cc12)c1ccccc1	731153662	XIXZRTHDDGYGJM-UHFFFAOYSA-N	323.371	3.735	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)N(C)c2ccccc2)o1	732804619	SQZSKJJGMLAIPX-KAOCYUFCSA-N	306.365	3.973	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)c2ccc(CN(CC)CC)o2)C1	734980401	RYCPTYUAAPXCFJ-AWEZNQCLSA-N	319.449	3.807	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccccc2F)c(C)c1	748056785	XXPVQSZLPHGRLI-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc2cc(O)ccc2c1	748779211	YETHWMTYVFBALH-UHFFFAOYSA-N	300.358	3.794	50	20	DHGD	
CCC(CC)(CNC(=O)/C(C#N)=C\c1ccc(F)cc1)SC	752477025	FJYFWQXOOVNISN-UVTDQMKNSA-N	320.433	3.771	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1c[nH]c2ncccc12	752811329	LDCICEOYYOFJQA-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	753278963	GIPRILVPXVOQDS-UHFFFAOYSA-N	324.852	3.636	50	20	DHGD	
COc1cc(Cl)c(C=NNC(=O)c2ccccc2)cc1Cl	753921554	JUEHBDCWBLDKLH-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
N#Cc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)s1	757425487	NKOCFTRZSFAVEE-UHFFFAOYSA-N	324.317	3.900	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)C1CCCC1	761782296	LZTCVWOODHWVDH-UHFFFAOYSA-N	303.164	3.773	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)s1	763169078	LMILVCLZBMBOKG-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
C[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)Cc2ccccc21	766974547	CYEGKMVDSFJYAG-SMDDNHRTSA-N	324.262	3.942	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ccc(F)cc2F)cc1	767962973	DSFJUPCEJMKIDT-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
CCCc1cc(C(=O)NNc2nc3ccccc3[nH]2)sc1C	768505080	OWPZSCQQPRVGIU-UHFFFAOYSA-N	314.414	3.642	50	20	DHGD	
CCSc1cccc(C=NNC(=O)Cc2ccc(F)cc2)c1	769782200	VJYMXKSMLAOONO-UHFFFAOYSA-N	316.401	3.631	50	20	DHGD	
C[C@@H](CC(=O)OC[C@@H](C)CBr)c1cccc(F)c1	770375624	REHZMGKFTVFBQE-QWRGUYRKSA-N	317.198	3.894	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	786833262	WULINHLQDARIAX-RGHBXIHOSA-N	300.402	3.774	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1	791220626	JXKNGLVSVSLLMG-UHFFFAOYSA-N	322.412	3.926	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccccc2Cl)c1C	792482086	NPDBCFJKGVYQDG-SNVBAGLBSA-N	321.812	3.965	50	20	DHGD	
N#CC[C@@H](CC(=O)NNc1cccc(Cl)c1)c1ccccc1	792942772	OXDGMMJMJUIMDV-AWEZNQCLSA-N	313.788	3.871	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCC[C@@H]1c1ccccn1	794904425	GDTRLELBBAPFQO-QGZVFWFLSA-N	321.424	3.844	50	20	DHGD	
COC(=O)N(C)N=C(C)[C@H](C)Oc1ccc(Cl)cc1Cl	794958277	TUYQBOAMZNGBKS-VIFPVBQESA-N	319.188	3.835	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(F)c2ccccc12	795216571	LFMSQNMSAYDWFO-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cc(OC)cc(OC)c1	797400150	PAIUOZMDZFMJCU-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1CCC(C(F)F)CC1	799480166	OZARQEWMHRXTDA-UHFFFAOYSA-N	319.355	3.569	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1C#N	799497107	HJAQOLAFHSUNAH-RQZCQDPDSA-N	302.333	3.665	50	20	DHGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNc2ccnc(F)c2)c1	803090043	QUIFQTSRSKQXQW-CYBMUJFWSA-N	315.392	3.666	50	20	DHGD	
CCCN(NC(=O)C(C)(C)CC(C)C)C(=O)OC(C)(C)C	804592595	RCWDCWWMRJKMJK-UHFFFAOYSA-N	300.443	3.737	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H]1CCCC[C@@H]1C	805385960	BPLCXZGXBDIMNB-WCQYABFASA-N	305.378	3.563	50	20	DHGD	
CSSCCNC(=O)N(C)[C@H]1CCCc2ccccc21	807227046	WAUKZYYKWMNDGU-AWEZNQCLSA-N	310.488	3.717	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1(F)CCCCC1	811164769	XWNZHMFZPMTFLM-UHFFFAOYSA-N	306.168	3.504	50	20	DHGD	
COc1ccc2oc(/C=C(\C#N)c3ccc([N+](=O)[O-])cn3)cc2c1	812245403	SZWVOHMTRPYRLU-XYOKQWHBSA-N	321.292	3.809	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1CCC(=O)[C@H]1C	812765903	ZBKXSYXIQHXSAI-UONOGXRCSA-N	302.418	3.567	50	20	DHGD	
CCCC(=NNC(=O)c1ccc2ccccc2n1)c1cccnc1	814682030	GBEKELCQJXQPNP-UHFFFAOYSA-N	318.380	3.564	50	20	DHGD	
CC(C)(C)OC(=O)NN=C1CCC(c2ccc(O)cc2)CC1	814692913	LGIVQOHEKVGBGG-UHFFFAOYSA-N	304.390	3.931	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2nsc3ccc(C)cc23)c1	815853013	RNGZNNQJVLFBGL-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
CC(C)c1ncsc1C(=O)NNc1cccc2c1CCCC2	827180546	JBFCPLNDZFGRSF-UHFFFAOYSA-N	315.442	3.902	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1c(C)cccc1OC)c1ccccc1	834957641	MUOJFAZALLRSGH-MRXNPFEDSA-N	310.397	3.648	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(F)c(F)c1F	843830732	KHBFRKZPAAEBRF-DTWKUNHWSA-N	300.324	3.619	50	20	DHGD	
CSc1ccc(CCCC(=O)NCC(Cl)Cl)cc1	843884173	AWXIHSQKUQOIDW-UHFFFAOYSA-N	306.258	3.651	50	20	DHGD	
CC(C)[C@@H](F)C(=O)NNc1ccccc1Cc1ccccc1	846463318	DMMMXEYOMMOTNX-QGZVFWFLSA-N	300.377	3.715	50	20	DHGD	
CCn1cc(CCN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cn1	852525037	RWAINMGRCLKMAN-INIZCTEOSA-N	323.557	3.542	50	20	DHGD	
CCc1nc([C@@H](C)NC(=O)NNc2ccc(C)c(F)c2)cs1	853718159	DYTMKLGBPAPLJZ-SNVBAGLBSA-N	322.409	3.540	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2ccnc(Cl)c2)c1	855461587	DQGTUMKNTFRAPF-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
BrC[C@@H](CN1CCC=C(c2ccccn2)C1)C1CC1	859315876	SAXQTTQMZYZEDK-HNNXBMFYSA-N	321.262	3.592	50	20	DHGD	
CCC[C@H](C(=O)NN[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1	862322289	JXAZCHBDYFIWOB-CABZTGNLSA-N	322.758	3.795	50	20	DHGD	
CCc1onc(C)c1/C=C(/C#N)C(=O)N[C@H](CC)c1ccccc1	899368284	HMQUTDLRXHATLG-JBXOJTMHSA-N	323.396	3.720	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cc(C)c(C)cc2C)c1	916297830	JEBGGOOVBLFJFL-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2c(F)cccc2F)cc1	916329834	YWDSDBXXHCPQJA-UHFFFAOYSA-N	302.324	3.681	50	20	DHGD	
C=C(Cl)COc1ccc(C(C)=NNC(=O)CC(C)C)cc1	917540718	TXKSUSDOZMPUDO-UHFFFAOYSA-N	308.809	3.704	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)NCC1CCC(C#N)CC1	922349489	URZNELMWVLLAEH-UHFFFAOYSA-N	320.824	3.605	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CC23CCSCC3)ccc1Cl	928339314	CDXMDZBHDDBZKQ-GFCCVEGCSA-N	310.850	3.625	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2Cc3ccc(F)cc32)cc1Cl	1325014228	FNPAUHXQOQRHGA-AWEZNQCLSA-N	304.752	3.571	50	20	DHGD	
Cc1cc(CNC(=O)CCCC[C@H]2CCSS2)ccn1	1325231047	OEKBLYDBBXQFPK-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
CC(C)c1nc(C(=O)OC[C@@]2(C)C[C@H]2Br)cs1	1344039215	VUCLHSMUNMHOOJ-BXKDBHETSA-N	318.236	3.597	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C(C)C)nn1CC	1344579983	LGZVAEJXBSCLFG-UHFFFAOYSA-N	314.433	3.654	50	20	DHGD	
C[C@]1(c2ccccc2)CN(C(=O)C2CCC(Cl)CC2)CCO1	1347386828	YIRXJHDPBMJFAK-JFUPDXTOSA-N	321.848	3.558	50	20	DHGD	
C=CC[C@H](C(=O)O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	1588728046	BHBGRKACVDOJPZ-ZIAGYGMSSA-N	313.514	3.502	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@H]1CCCC[C@H]1C	1776045525	QNFRXMGIXFDQQG-ABAIWWIYSA-N	317.389	3.709	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2F)ccc1O	8201794	SOZPMRFMTMMZOE-UKTHLTGXSA-N	311.312	3.720	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccccc1OC(F)F	120742538	BHIMQULKGMXFGM-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(F)c(Cl)c1	122670605	XPUHMNVMUAWPSA-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)cc1	134552611	RUZCLYSSCSRQLS-UHFFFAOYSA-N	310.184	3.641	50	20	DHGD	
Cc1conc1NC(=O)NN(Cc1ccccc1)c1ccccc1	159442717	XZIFPGHOSWLTPL-UHFFFAOYSA-N	322.368	3.726	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)c2nc3ccccc3n2C)c1C	160698654	GXHWHGSZVIUZQT-PTNGSMBKSA-N	319.412	3.861	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1ccc(Cl)nn1	175389527	JNKFMHHPICFNMQ-LBPRGKRZSA-N	310.829	3.570	50	20	DHGD	
IC[C@@H]1CCC[C@H](c2ccccc2)O1	208818374	MKHUMYIXWHMDNS-NWDGAFQWSA-N	302.155	3.732	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1O	211475140	XCJPYMHCDSRQCG-DHDCSXOGSA-N	322.364	3.563	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)cc1	212390861	QOFPYJBSZFWVFO-WJDWOHSUSA-N	307.349	3.884	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(O)c(Cl)c1	255263074	QHCDVDDTRXIASL-UKTHLTGXSA-N	306.793	3.649	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(C#N)s1)c1ccccc1	490691635	FXAIEOLRPOLDSB-OOXMNIKJSA-N	321.405	3.794	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2F)c(C)c1	490754224	NCYMDUVILMWXIO-SXGWCWSVSA-N	319.339	3.860	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC(C(C)C)CC2)cc1	729632925	KFKJBASQAWGGLZ-UHFFFAOYSA-N	301.434	3.725	50	20	DHGD	
O=C(NCCC1CCCCC1)NNc1cc(F)c(F)cc1F	734658706	UVVFZZFEYOICCP-UHFFFAOYSA-N	315.339	3.700	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	735756007	MHYHUUGYZJHIDK-RWMBFGLXSA-N	323.387	3.950	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@H](C)C1	747750673	CJOGHTGVABCJFZ-BETUJISGSA-N	311.385	3.884	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc2ccccc2c1	751179533	JHJDWELOLWJBSQ-UHFFFAOYSA-N	323.304	3.976	50	20	DHGD	
Cc1cccc2c1CCN(C(=O)/C(C#N)=C\c1ccc(F)cc1)C2	752016813	RQHUMEGFHWMHPF-BOPFTXTBSA-N	320.367	3.626	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCC2(C)CC2)c(C)n1CC(C)C	752390530	QFHJBMAKIVZXMW-MFOYZWKCSA-N	313.445	3.584	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(F)c(Cl)c2)cc1	755555941	SZNJQWHYQMVTNV-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OC[C@@H](C)CBr	770404129	PHQOSMYAZJZCQF-GDPRMGEGSA-N	317.248	3.734	50	20	DHGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1	772179435	PKUAKTILQWRPIQ-OQLLNIDSSA-N	306.296	3.518	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccccc2C#N)ccc1[N+](=O)[O-]	774560771	OBWKJZNVHATJJP-NVNXTCNLSA-N	305.293	3.539	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1cnc2ccccc2n1	774792521	YDNPFVCKAYVZCQ-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
C[C@@H]1C[C@H](C(=O)NN(c2ccccc2)c2ccccc2)CCC1=O	775463822	BSKLVPPNGQJGSN-HZPDHXFCSA-N	322.408	3.861	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(Cl)c(F)c2)c(F)c1	777426029	RNLBHBDYNKQTQE-UHFFFAOYSA-N	324.714	3.578	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	780373367	FFRXNOBAMSCRRF-AWNIVKPZSA-N	319.286	3.712	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cscc2Cl)c1	786050234	LSRDCNYIWJHAOJ-MLPAPPSSSA-N	316.813	3.933	50	20	DHGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)c1cc(C)cc(C)c1	786921434	VHFJUVFISQXNKH-SFQUDFHCSA-N	320.392	3.969	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc(SC)ccc1C	788181498	SYQOMNFXESMXGV-UHFFFAOYSA-N	320.389	3.622	50	20	DHGD	
CSSCCNC(=O)CCCOc1ccc(C)cc1C	791098024	TUTYPNSYAOBEPY-UHFFFAOYSA-N	313.488	3.590	50	20	DHGD	
C=C(CBr)CN(C)Cc1ccc(Cl)c(F)c1	791482914	LVKZYQYHQKZSSV-UHFFFAOYSA-N	306.606	3.862	50	20	DHGD	
C=C(CBr)CNC(C)(C)c1ccc(F)c(F)c1	791493764	XXBNIRADVMTUET-UHFFFAOYSA-N	304.178	3.741	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CCCCS1	791733963	ZGXYKDHCXCAEPL-LLVKDONJSA-N	305.230	3.722	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cccc(OCC(C)C)c1	792246173	CMLGSGWHKRGCCF-UHFFFAOYSA-N	314.389	3.573	50	20	DHGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)O1	799854635	QXZCXPJGJPRBHI-RKVPGOIHSA-N	310.397	3.669	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=O)Nc1ccc(Cl)cc1)C(C)C	802016179	OYWTZULWPTWKRH-CYBMUJFWSA-N	311.813	3.565	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CC[C@H](C)CC	803153092	SKEUSOZPZWHCKC-GFCCVEGCSA-N	321.490	3.701	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1cccc2ccsc12	806366196	MUYIVAQFGJZFPO-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
CSSCCNC(=O)NC(C)(C)c1ccc(F)c(F)c1	807233048	QDBSGWFURRLDLJ-UHFFFAOYSA-N	320.430	3.510	50	20	DHGD	
CCC[C@@H](CC)NC(=O)/C(C#N)=C\c1ccc(OCC)cc1	813428305	VUDUGURDJJRAKZ-RTYFKUQISA-N	300.402	3.687	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc2ccccc2n1	813494649	VQYNAMBCWHDREM-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3c(c2)CCCC3=O)c(C)c1	815853497	NETXAWUZUUKNDC-UHFFFAOYSA-N	322.408	3.888	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1oc(C(C)C)nc1C	815971790	OHHCHICGQLQZOZ-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)N(C)CC(Cl)Cl)csc2C1	816629727	YMJOZEIEOQXPBW-MRVPVSSYSA-N	306.258	3.749	50	20	DHGD	
CC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CC(F)(F)C1	822396401	KUWDLIKSDOBCJN-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)[C@@H]1CCCC[C@H]1C	834923107	XXCOPCMKEUFCTB-IUODEOHRSA-N	312.417	3.575	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCN(C)c3ccccc32)cc1	837053002	NHBHXRFDZAHZOT-GOSISDBHSA-N	323.440	3.877	50	20	DHGD	
COc1ccccc1CCC(=O)NNc1ccc(C(C)C)cc1	837057743	FXTVEILSMKXYFD-UHFFFAOYSA-N	312.413	3.895	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)[C@H](C)CO1	846435248	VWALBQLCJCVHHH-MGPQQGTHSA-N	317.520	3.726	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(F)cc1F	851894038	ZTDSWCVXLZCENP-ZEGGKSINSA-N	304.178	3.789	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)N[C@@H](c1cccs1)C1CC1	853265843	KBDPLZGMBWIFDH-OAHLLOKOSA-N	319.405	3.973	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1ncc(Cl)cn1	853694862	VNCXFUFAKGLKJT-UHFFFAOYSA-N	301.894	3.588	50	20	DHGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)sc2ccc(F)cc12	862308999	KNQPCHYTAMVBFL-ZETCQYMHSA-N	320.311	3.534	50	20	DHGD	
CCC[C@@H](C(=O)NN[C@H](C)C(F)(F)F)c1cccc(Cl)c1	862323458	VLMUCBGHEJFXDZ-BXKDBHETSA-N	322.758	3.795	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C(C)(C)C1CCC(O)CC1	885126567	AJMLHQGHQYGXCP-UHFFFAOYSA-N	324.852	3.669	50	20	DHGD	
CSc1cccc(NC(=O)[C@]2(C)C[C@@H]2Br)c1C	907221638	BQYNOVXBVFXWSU-WCQYABFASA-N	314.248	3.829	50	20	DHGD	
CC[C@H](C)c1nc([C@H](C)NC(=O)c2cccc(CCl)c2)n[nH]1	1120637034	XYTJJBQMPZCPLV-QWRGUYRKSA-N	320.824	3.548	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1CC	1261755854	QVKDYNJYVGIJPK-UHFFFAOYSA-N	303.793	3.617	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)c1nc(-c2ccccc2)no1	1317744635	YFOQSEJSPQSQAK-ZROIWOOFSA-N	319.320	3.515	50	20	DHGD	
O=C(CCl)NC1(c2ccc(Br)cc2)CCCC1	1319921854	PWTRYSFVSVFXII-UHFFFAOYSA-N	316.626	3.573	50	20	DHGD	
C[C@H](OC1CCCCC1)C(=O)NNc1c(F)cccc1Cl	1325710300	PBHLTQKVOAZYLL-JTQLQIEISA-N	314.788	3.660	50	20	DHGD	
Cc1c(Cl)cccc1NNC(=O)C1(C(=O)O)CCCCCC1	1574298114	YKOHQQGJJQHBEL-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1605022284	JYVMRWBGNDVUCZ-GFCCVEGCSA-N	322.380	3.574	50	20	DHGD	
Cc1ccc(C=NN(C(=O)OC(C)(C)C)C(C)C)cc1C(=O)O	1776110426	CDPWHEYHLYFUJN-UHFFFAOYSA-N	320.389	3.673	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)c2ccc3ccccc3c2)c(C)c1	5271709	DFXPZTAPSUDUQM-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	120876691	UPEQYJWWCMREDC-VXGBXAGGSA-N	300.324	3.807	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccc(Cl)c(Cl)c1	128292243	LJIVCWRVOOEGQC-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cccc2c1[C@H](C)/C(=C\c1cnn(CCCl)c1)C2=O	179452051	PMIZQEOLTNLLRA-AZZDOICSSA-N	300.789	3.814	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2c(C)cccc2F)c(C)o1	185282765	QTUMZIIDPCTHKY-LLVKDONJSA-N	305.353	3.731	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)c1c(C)[nH]c2ccccc12	255493571	HIGUKALFJPRMCX-XNTDXEJSSA-N	301.349	3.970	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)n2c1	255558759	LSUVOZLMEMEZNM-ZSOIEALJSA-N	304.309	3.615	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCCC2(CCOCC2)C1	267525353	WUHYCGVLVAHGPB-FMQZQXMHSA-N	300.377	3.583	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1csc(C2CC2)n1	490610018	FPXAIYBHEVOCBG-YFVDUCKESA-N	315.442	3.622	50	20	DHGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccccc1	732266274	VEXHHVZTHQAPNO-UHFFFAOYSA-N	305.381	3.758	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccccc2Cl)cc1	734304773	WHEVZUZRAMEQCO-MHWRWJLKSA-N	310.784	3.872	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2cc(F)c(F)cc2F)C1	734552391	VTPYBDRYHOKKEA-VHSXEESVSA-N	300.324	3.763	50	20	DHGD	
CC1(CC(=O)NNc2nc(-c3ccccc3)no2)CCCCC1	753568086	IIBDDJUBVVDGDM-UHFFFAOYSA-N	314.389	3.540	50	20	DHGD	
CCCC=NNC(=O)c1sc(-c2ccc(OC)cc2)cc1N	755618218	HIWSYDFVZDFTJP-UHFFFAOYSA-N	317.414	3.522	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc(F)c(Cl)c1)c1ccccc1	755706026	YQBUWGLYNMOWAT-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1/C=C(/C#N)C(=O)NC1CC1	756788210	SUCCYJXJAOOGHU-ATVHPVEESA-N	318.376	3.548	50	20	DHGD	
ICCN1CCCC[C@H]1c1ccccc1	759438692	VHSLWTMKDRQRQF-ZDUSSCGKSA-N	315.198	3.649	50	20	DHGD	
CSCc1cccc(NC(=O)NNc2ccccc2F)c1	770030823	NOLVOSKAEZNWHZ-UHFFFAOYSA-N	305.378	3.837	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2nccnc2C(C)C)cc1	772817561	XUGFKIWKKRQXHB-UHFFFAOYSA-N	312.417	3.555	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1ccc2ccccc2c1	772867054	QQGRJEMILJDQHV-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	773161891	IWPTWUJRAGMIMW-BJMVGYQFSA-N	303.724	3.609	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc(Cl)nc1	785452240	CWDRDRGORGZXCO-DGCLKSJQSA-N	307.825	3.913	50	20	DHGD	
CSSCCNC(=O)c1csc(-c2ccccc2)n1	791096425	BZNDVQHBXIQUEZ-UHFFFAOYSA-N	310.469	3.551	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccnc1Cl	791730431	XBZNLNMAZZVACC-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CCCCC12CCCC2	794659376	SJPYQODZDMDEFS-BBLCHGJFSA-N	324.424	3.918	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(O)c1F)c1ccc([N+](=O)[O-])cc1	794926003	HDJGDPUHHFUEOE-YFHOEESVSA-N	302.236	3.643	50	20	DHGD	
COc1cc(NNC(=O)c2ccoc2C(C)C)ccc1Cl	795377048	DXSDRPBENYUVAN-UHFFFAOYSA-N	308.765	3.822	50	20	DHGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNc1ccc(Cl)c(F)c1	797554773	YKLGLLITIXLZDX-MRVPVSSYSA-N	321.730	3.541	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(C2CC2)no1	799705639	MDDFWROMKKZPOC-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCN(C)c2ccccc21	799755170	UKSIYXSDJPSWOH-KRWDZBQOSA-N	323.440	3.624	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1c(F)cccc1F	799755943	WBGVBTLCZAMFER-UHFFFAOYSA-N	304.340	3.521	50	20	DHGD	
O=C(NN=C1CCC12CCC2)Nc1ccc(OC(F)F)cc1	799882509	UINGEQVAFKMDOC-UHFFFAOYSA-N	309.316	3.730	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCC[C@H]2CCCC[C@H]21	803109594	RNURONGNPJFHIO-RBSFLKMASA-N	324.428	3.679	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)CCCC1CC1	812537471	BOSONKWQGMBUCV-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
O=C(NN=C1CC2(CC2)C1)c1ccc(COc2ccccc2)o1	814762029	KHBOHIFWDUHYFA-UHFFFAOYSA-N	310.353	3.518	50	20	DHGD	
CC(C)(C(=O)NN=C1CCC[C@H]1C(C)(C)C#N)c1ccccc1	814841583	FGVYCSQHBFEURM-OAHLLOKOSA-N	311.429	3.786	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(F)c(Cl)c2)cc1	817921294	QEAJBRRIUSFCCF-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1cccc(Br)c1	824209673	VBBREYXZYFPVBX-MFKMUULPSA-N	311.223	3.719	50	20	DHGD	
N#CC1(CC(=O)NNc2ccc3ccccc3n2)CCCCC1	831749864	JTUGGVKSTVNYOE-UHFFFAOYSA-N	308.385	3.542	50	20	DHGD	
CCCCCCCC(=O)NNc1cccc(Br)n1	837210178	DTVASBMLYUXUAI-UHFFFAOYSA-N	314.227	3.648	50	20	DHGD	
CC(C)n1c(SC/C=C/C#N)nc2cc(Cl)ccc2c1=O	839998175	HCGNHBALAPSTMC-ONEGZZNKSA-N	319.817	3.803	50	20	DHGD	
CCN(Cc1occc1C)C(=O)[C@H](Br)C(C)(C)C	840532903	BGNBFGWHTINYRA-LBPRGKRZSA-N	316.239	3.746	50	20	DHGD	
CO[C@@H](CC(=O)NNc1c(C)cccc1C(C)C)C(F)(F)F	846199628	WYZMAYWXTQNYPW-LBPRGKRZSA-N	318.339	3.529	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccnc(Cl)c1	852002708	CWTCOOHPGOQJRU-XRNSZHNASA-N	303.631	3.559	50	20	DHGD	
C[C@H](C(=O)NCCCSC#N)c1c(Cl)cccc1Cl	854362744	ZBWRXJIKCCXYKI-VIFPVBQESA-N	317.241	3.817	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1cccc(F)c1Cl	862508600	WPGCBVCBZBKYMH-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
CCOc1ccc(C=NNC(=O)c2cc(C)cs2)c(C)c1	863156905	ODBFPPLIWPCYHZ-UHFFFAOYSA-N	302.399	3.528	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)N2CCCC2)cc1)C(=O)C1CCCC1	864365978	HVOOXRKYMBPOEI-AQTBWJFISA-N	322.408	3.589	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	901500100	BDYAPFLRENDHNH-JYRVWZFOSA-N	303.333	3.525	50	20	DHGD	
CCCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	914528267	UCDQESVYDDXKTD-WQRHYEAKSA-N	315.461	3.926	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CC[C@H]2CCCC[C@H]2C1	920376420	SOIYVSLQFCVFNB-CABCVRRESA-N	314.429	3.700	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-]	921000743	GPRGHVIRRRGKMH-LBPRGKRZSA-N	317.316	3.827	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H](c2ccccn2)C1	1263834678	QBNHUBOUQQPVPK-SHARSMKWSA-N	306.837	3.585	50	20	DHGD	
O=C(NN=C[C@H]1CC=CCC1)c1ccc(Br)cc1	1318441948	FYRAZUFQLQCANO-NSHDSACASA-N	307.191	3.521	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H]1C=CCCC1	1319086257	JSGKQULBZCSWEV-SNVBAGLBSA-N	300.189	3.728	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ncc(Cl)s1	1321065192	MOWZMKSZMAZQKP-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
CCOc1ccc(NNC(=O)C(F)(F)c2ccccc2C)cc1	1326372942	VGGRCTMIEBOJEA-UHFFFAOYSA-N	320.339	3.629	50	20	DHGD	
O=C(N[C@H](CC1CCCCC1)C(=O)O)c1cccc(CCl)c1	1601414355	GQDUDIBMALOTHG-OAHLLOKOSA-N	323.820	3.579	50	20	DHGD	
O=C(NN=C1CCCCC1)c1ccc(COc2ccccc2)o1	6957264	XKLURPIGWLIISY-UHFFFAOYSA-N	312.369	3.909	50	20	DHGD	
Cc1ccccc1OCC(=O)NNc1ccccc1C(F)(F)F	45481072	NDFLEOJHSKNCCQ-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
CCOc1cccc(NC(=O)NNc2ccccc2Cl)c1	92430621	PPBKUOMBGUPCKQ-UHFFFAOYSA-N	305.765	3.887	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(Cl)cc1F	102706097	PCUUYKIRWGFKNH-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)OC(C)C)cc1Cl	124656579	SJTICVFHKKZXKF-WMZJFQQLSA-N	314.168	3.861	50	20	DHGD	
COc1ccc(CN(C[C@H](C)CBr)C2CC2)cc1	133538195	UJXGQUJSSLPQQN-GFCCVEGCSA-N	312.251	3.691	50	20	DHGD	
CC[C@@](C)(NC[C@@H](C)CBr)c1nc(C)cs1	134001638	VJZKECUXYGLVMM-JOYOIKCWSA-N	305.285	3.697	50	20	DHGD	
COc1ccc2oc(C(=O)NNc3cccc(F)c3)c(C)c2c1	154517629	SVRRZZUIKKDGST-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
CC1CCC(O[C@@H]2CCC[C@H]2I)CC1	158162800	LGLRXUWONSRIKM-KIDURHIOSA-N	308.203	3.938	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c(F)c(F)cc(F)c2F)c1	158988104	IHRZZNXAJKWYNG-UHFFFAOYSA-N	312.266	3.617	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1C	170869576	CXDVFFAFJIIRBP-XNTDXEJSSA-N	311.360	3.810	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1C	178028715	LUKPKTKQJHQDCD-LFIBNONCSA-N	322.412	3.764	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@@H](C)O2	214201861	NKAHIHLIVCTDQP-SWEABUAFSA-N	318.376	3.864	50	20	DHGD	
C[C@]1(c2ccccc2)CN(/C(=C\C#N)c2ccccc2)CCO1	255566925	CQMGXFZRHIDPRJ-NURJGKTBSA-N	304.393	3.799	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccccn2)c1C	282870907	CTCXESJINVUEPI-KWWJGWKXSA-N	322.412	3.796	50	20	DHGD	
CN(N=Cc1cccc(-c2ccccn2)c1)C(=O)OC(C)(C)C	493880708	SGURFQQODAXVSG-UHFFFAOYSA-N	311.385	3.949	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cc3c(s2)CCC3)s1	731151800	VTOVXFOVXHAFLR-UHFFFAOYSA-N	304.440	3.625	50	20	DHGD	
CC(C)c1nc(C(=O)NNc2nccc3sccc23)cs1	734248867	ZJBQMESWJURATN-UHFFFAOYSA-N	318.427	3.633	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NN=c1cc[nH]c2ccccc12	734865387	RICWOHIKSLHRHI-HNNXBMFYSA-N	319.408	3.602	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)c1cccc(Cl)c1	735244833	JEAPGRBQQZWNES-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
C=CCC(=NNC(=O)Cc1ccccc1F)c1ccc(F)cc1	735616067	VRDSHKDCHUHRSH-UHFFFAOYSA-N	314.335	3.604	50	20	DHGD	
C[C@H](CCc1ccccc1)NC(=O)NNc1c(F)cccc1F	735754129	BGQOGOSLACTWJN-GFCCVEGCSA-N	319.355	3.612	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@H]1C[C@@H]1C1CCCCC1	745858252	PMMRCJUIAJGSNF-RISCZKNCSA-N	309.360	3.560	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1coc2ccccc12	747753924	XHJDWZRXRNHPDP-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1c(Cl)cccc1[N+](=O)[O-]	758107717	MIJYPPMMUMKQGZ-UHFFFAOYSA-N	311.769	3.525	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)s1	763610708	OLORICULAQBHHN-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1C[C@]1(C)c1ccccc1	768182736	BTEAEIXPUPGRDI-XJKCOSOUSA-N	324.262	3.642	50	20	DHGD	
CCCc1ccccc1NC(=O)NNc1cccc([N+](=O)[O-])c1	769952715	ZCOBQERTPIYOGV-UHFFFAOYSA-N	314.345	3.696	50	20	DHGD	
Cc1ccc2cc(C(=O)OC[C@H](C)CBr)[nH]c2c1	770298977	XWGVPSUUKJTXQK-SNVBAGLBSA-N	310.191	3.664	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2ccc3c(c2)ncn3C)ccc1[N+](=O)[O-]	774557913	GNBPGYXBKFUYCX-OVCLIPMQSA-N	318.336	3.854	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H]2C(C)C)c1C	775899850	LTTWRIOOZZNUCR-UWKDKTGGSA-N	313.445	3.679	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2cc(F)ccc2C)c2ccccc2n1	777877637	NLYAGPPZAVYTEM-UHFFFAOYSA-N	321.355	3.755	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)NOC1CCCCC1	779688763	UKFDUZAFWXUVIV-UHFFFAOYSA-N	318.204	3.884	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1nc2ccc(OC)cc2cc1C	780743196	VJPSCPDUZJVMLI-WCQYABFASA-N	315.417	3.677	50	20	DHGD	
CC(C)[C@H](C)N(C(=O)[C@H](Br)C(C)(C)C)C1CC1	781078713	BIUTUPXBUKROTE-JQWIXIFHSA-N	304.272	3.832	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)[C@@]1(C)CCCO1	782170481	IAPXXBZQHANDBH-CQSZACIVSA-N	315.200	3.668	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3ccccc3F)cn2c1	789129710	XRRYNFJYCMWKAJ-JYRVWZFOSA-N	305.312	3.572	50	20	DHGD	
CC1(CCNC(=O)NNc2cc(C(F)(F)F)ccc2F)CC1	792197790	FSERHBWGXXRFNT-UHFFFAOYSA-N	319.302	3.661	50	20	DHGD	
Cc1cn2c(/C=C(\C#N)C(=O)Nc3ccccc3)c(C)nc2s1	797025585	KFRWGLGQUXNFKN-MDWZMJQESA-N	322.393	3.558	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(OCCCCl)cc1	811686085	MWWSLAKOZITDKZ-QINSGFPZSA-N	320.820	3.518	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1ccc(C(F)(F)F)cc1	815853454	LJTZXLPRLKCSID-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CC12CCSCC2	827181119	WIBWZOUZHFBEQZ-HNNXBMFYSA-N	316.470	3.542	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	827515614	BOMZWHFUYYJTMB-QMTHXVAHSA-N	316.323	3.855	50	20	DHGD	
CC[C@@](C)(CNC(=O)CCCC[C@H]1CCSS1)OC	833800056	QNLOUGOYPAAKAH-JSGCOSHPSA-N	305.509	3.632	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H](C)SC)c1C	835679017	VOLMJHPNEYHUDU-WPBJZHHJSA-N	320.458	3.717	50	20	DHGD	
CCc1nn(C)c(Cl)c1C(=O)NNc1ccc(C(C)C)cc1	837053096	OQCQTNZNZJLZIV-UHFFFAOYSA-N	320.824	3.516	50	20	DHGD	
CCn1cc(/C=C(\C#N)n2c(C(C)C)nc3ccccc32)cn1	840722950	RJSGYWDZDLVOGV-OQLLNIDSSA-N	305.385	3.898	50	20	DHGD	
CC[C@H](NCc1ccc(OCCCCl)cc1)[C@@H](O)C(C)C	840969138	YMBUYWOXTOONTO-IRXDYDNUSA-N	313.869	3.579	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccc(Cl)cc2C)c1	857830866	CYCNUTKVMRGVAO-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(F)c(F)c1	915971698	IZETYEUJIFVLSN-UHFFFAOYSA-N	303.312	3.819	50	20	DHGD	
COc1ccccc1CN(C)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	916146218	LERIJUIPZAQXJR-LICLKQGHSA-N	323.352	3.600	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCCCc3ccccc32)c(O)c1	917555728	GRAPODSMDRJXAY-UHFFFAOYSA-N	308.381	3.561	50	20	DHGD	
CCOC(=O)NN=C1CCCOc2c1ccc(Cl)c2Cl	921138766	BZFCUUNIZFYDKQ-UHFFFAOYSA-N	317.172	3.616	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	1318370213	ADLQCYDZHKJMMG-GHRIWEEISA-N	321.376	3.810	50	20	DHGD	
CCCN(C(=O)CCl)[C@H]1C[C@H](OCC)C12CCCCC2	1323268119	ABUZDROQLOZVEB-KBPBESRZSA-N	301.858	3.592	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)ccc1F	1335667701	YPDRNBOJIWOJCZ-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
CC(C)n1ncc2cc(NC(=O)C3CCC(Cl)CC3)cnc21	1347284344	QDCMZHUUXQEJJK-UHFFFAOYSA-N	320.824	3.748	50	20	DHGD	
C[C@]1(COC(=O)[C@H]2CCCC(F)(F)C2)C[C@H]1Br	1515797433	HIPFNLDCAZCFIY-IQJOONFLSA-N	311.166	3.529	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1595662697	JAVNXKHMJLQJFC-UHFFFAOYSA-N	306.406	3.743	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	5619838	YCVKLDJPPFAKJC-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
COc1ccccc1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	16441498	JQDCUZSUFYWCDU-GXDHUFHOSA-N	302.333	3.966	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1	40865733	JBWQAXTYRMNABX-VBKFSLOCSA-N	324.380	3.682	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2F)cc1	43080167	BEDMFYPEXICJOI-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
CN(Cc1ccc2c(c1)OCO2)/C(=C/C#N)c1ccc(F)cc1	78669072	ACBMZVZNINGHOJ-LZYBPNLTSA-N	310.328	3.551	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ncccc2Cl)c1	114883892	YMYWQILWNNNBBQ-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	131069225	RIBWGRBAVJQBPX-RQNDZEIBSA-N	308.356	3.919	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc3c(s2)CCCC3)c1	157844193	KARALTKZXCAPAT-UHFFFAOYSA-N	320.389	3.532	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1ccccc1Cl	158191698	AYGNLUANNAODEN-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)Nc1ccccc1Cl	176401257	RUBMBIATJWUUFU-JXMROGBWSA-N	313.769	3.819	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	179615746	GMVNWHOIOVWKBR-BJMVGYQFSA-N	304.708	3.874	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2cccc(Cl)c2)cc1C	179702886	BAWMUVMMMDPAQT-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NNc1cccc(Cl)c1	182032027	ZEQRPLNYUVEZCD-XYOKQWHBSA-N	315.735	3.529	50	20	DHGD	
CCOc1cccc(NC(=O)NNc2c(C)cccc2F)c1	184178590	XNGCRCWNUVPLHW-UHFFFAOYSA-N	303.337	3.681	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cnn(Cc2ccc(F)cc2)c1	186960263	GQKIDTDMCUPOBP-OVCLIPMQSA-N	311.360	3.593	50	20	DHGD	
CC(C)[C@H](N)CCN(C)C(=O)CCCC[C@@H]1CCSS1	236817783	LMMTWHROQINEAZ-ZIAGYGMSSA-N	318.552	3.532	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1ccccc1F	252606830	GVXOFDLMACRNSJ-UHFFFAOYSA-N	322.339	3.508	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1	255767698	FZKWAJLMMDJPQD-BOPFTXTBSA-N	306.365	3.687	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cc(C(F)(F)F)ccn2)c(C)c1	295525178	IYBQKUZSXBWEBZ-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CCOC1CC2(CCN(CCO[Si](C)(C)C(C)(C)C)C2)C1	377487257	DVGGBCNYZMLCDU-UHFFFAOYSA-N	313.558	3.899	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(Cl)cs1	491009913	KYKIHCVTBKYMIR-UXBLZVDNSA-N	318.785	3.956	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1)c1cccc2ncccc12	730147643	ZIEDQDNJQICFMN-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H](C)c1ccsc1	737494748	ZQPZYPIZYJLSJU-LLVKDONJSA-N	305.355	3.982	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(F)cc1)c1cc(F)ccc1F	741092878	IPPSHOSNOQALEM-HNNXBMFYSA-N	323.318	3.881	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1cc(C)sc1C	747058958	BCDJDOMGDKWVTF-UHFFFAOYSA-N	316.426	3.674	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1coc2ccccc12	747752680	AHCHAMLKSFJJJI-UHFFFAOYSA-N	313.744	3.635	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)c1cnn(-c2ccccc2)c1	749163915	CJUQIGQFIDFYOJ-UHFFFAOYSA-N	310.401	3.724	50	20	DHGD	
CS[C@@H]1CCCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	749465730	IIPUOJFLUYCRDL-FUXXUDPSSA-N	317.414	3.677	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(F)cc1O	750537319	PLWNTWKYMYJOMU-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CCCC(C)(C)C1)c1ccccc1	755885052	ULFVCPNIAFNRPC-JKSUJKDBSA-N	316.445	3.544	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cccc([C@@H]2CCOC2)c1	762003755	QYOONXVTNNXEKV-CQSZACIVSA-N	316.788	3.601	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=CC1CCC(C)(C)CC1	764658297	GDIXFGDHHIJNLZ-UHFFFAOYSA-N	312.417	3.575	50	20	DHGD	
COc1ccsc1C=NNC(=O)Cc1ccc2ccccc2c1	764684657	ZFGCYNXYTIOMFZ-UHFFFAOYSA-N	324.405	3.603	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C#N)c(C)c2)c1	766286786	BCGXNKLZDUHWHW-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
CCOc1ccc(OC(=O)[C@H](Br)C(C)(C)C)cc1	767003278	RHPKJAVZPGLETL-LBPRGKRZSA-N	315.207	3.800	50	20	DHGD	
CN(NC(=O)c1ccc(F)cc1C(F)(F)F)c1ccccc1	767871129	IDTQBYVYVYAXLI-UHFFFAOYSA-N	312.266	3.626	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)OC[C@@H](C)CBr	770358492	MIISSVBGIFEKDY-QWRGUYRKSA-N	317.198	3.579	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2cnc3ccccc3n2)c(C)c1	775408509	CCKCXDPMJVHPDO-UHFFFAOYSA-N	321.384	3.704	50	20	DHGD	
Cn1ccc2c(NC(=O)NNc3cccc(Cl)c3)cccc21	775594430	VWPFTUQLOJPLCK-UHFFFAOYSA-N	314.776	3.980	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	775730460	CNOAQFBBLRRLEY-RDJZCZTQSA-N	318.461	3.934	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1ccc2ccccc2n1	777465065	ALKUKBPDFDQIMG-UHFFFAOYSA-N	313.401	3.608	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)[C@H](CC)c1ccccc1	779777899	VYJVOPLWJQBQTK-QGZVFWFLSA-N	309.413	3.678	50	20	DHGD	
O=C(NN=C1CCc2cc(O)ccc21)c1ccc2ccccc2c1	780212663	TZGZICNTGJCZRI-UHFFFAOYSA-N	316.360	3.626	50	20	DHGD	
CCCN(CC1CCCCC1)S(=O)(=O)CCCCCl	780721299	RIWHPGJWQVFSSJ-UHFFFAOYSA-N	309.903	3.628	50	20	DHGD	
N#C/C(=C/c1cc(O)ccc1Br)C(=O)C1CCCC1	781555795	PDJYVASYGWJYOO-GHXNOFRVSA-N	320.186	3.821	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@@H](C)c2c[nH]c3ccccc23)c1	787900320	QKUKYUXRBOYFRF-CYBMUJFWSA-N	308.385	3.508	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)cn2c1	789149408	YIQBZUTVSWWSIW-AWNIVKPZSA-N	323.302	3.711	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1	790829688	MMBVOQBTBKOJOV-CABCVRRESA-N	324.515	3.708	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H](F)CC1CCCCC1	793713628	SETJHSBQKZONGL-CYBMUJFWSA-N	318.314	3.856	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	793806030	VJAVRSYGGKKIHO-RISCZKNCSA-N	305.809	3.871	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNC(=S)Nc1cccc(C)c1	798124368	QVFXWFIEGHPNCZ-DZGCQCFKSA-N	319.474	3.529	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNC(=S)Nc1cccc(C)c1	798124370	QVFXWFIEGHPNCZ-UKRRQHHQSA-N	319.474	3.529	50	20	DHGD	
CC(C)C[C@@H](C)C=NNC(=O)c1ccc(Br)s1	799108313	SNHHJCFJJDRVPY-SECBINFHSA-N	317.252	3.908	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)C3CCCC3)s2)cn1	800790832	ANMQGVPINXWJDM-MDWZMJQESA-N	311.410	3.815	50	20	DHGD	
O=C(NNc1ccccn1)C1(Cc2cccs2)CCCCC1	810918863	MOVCMIVXVSPMHP-UHFFFAOYSA-N	315.442	3.779	50	20	DHGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1ccccn1	811472187	ZLIAYPDAROUMQW-CQSZACIVSA-N	304.821	3.940	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccncn1	811694624	UUVZHSUXGSOVRB-YCRREMRBSA-N	321.123	3.756	50	20	DHGD	
CCN(CC)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245747	WRNOBQVVVRZUBK-RVDMUPIBSA-N	322.368	3.900	50	20	DHGD	
CC(C)(C)[C@H]1CC(=NNC(=O)c2ccc(Cl)cc2)CS1	814688242	PRXZAFSOEZLQRR-CYBMUJFWSA-N	310.850	3.977	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3c(c2)CCC=C3)cc1	817911449	RABBBJLIQZVVSX-UHFFFAOYSA-N	308.381	3.802	50	20	DHGD	
CC(C)Sc1c(Cl)cccc1NC(=O)NN(C)C1CC1	824200296	XVHRUYJWMAKXKI-UHFFFAOYSA-N	313.854	3.971	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(OC)cc1OC)C1CCCC1	834955092	HUTUGNYDRMHQME-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC(C)[C@H]1N(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC12CCCC2	837193236	ZVURWCWJJBJXJB-MUMAZLPKSA-N	324.424	3.726	50	20	DHGD	
C[C@@H](C(=O)NCC(Cl)Cl)c1ccc(C(F)(F)F)cc1	837646095	NTTJXYHSYUJFFD-SSDOTTSWSA-N	314.134	3.729	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2cc(F)cc(Cl)c2)c1C	855619983	ZIYNHTNEFMSXFO-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c(C2CC2)n1	899345212	IEBGDRNTWHAFOX-UXBLZVDNSA-N	317.801	3.802	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)CCSc2ccc(F)cc2)C1	916346013	KXOFOOQEVQKIAR-LBPRGKRZSA-N	308.422	3.990	50	20	DHGD	
CCCNC(=O)NN=Cc1cc(C)n(C2CCCCC2)c1C	920989155	DOYWBQHBQZVWET-UHFFFAOYSA-N	304.438	3.653	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccnn1C1CCCC1	928339622	ILZXTIPMYICBDS-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@@H](c3cccnc3)C2)cc1	1116913553	CHLNEFUKEHQYEK-OAHLLOKOSA-N	323.396	3.534	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccn1C1CC1	1118008226	ZWLLRYSIYJHFCA-RVDMUPIBSA-N	305.381	3.986	50	20	DHGD	
C[C@@H](C[C@H](O)c1cccs1)NC(=O)c1cccc(CCl)c1	1120710702	QGOQCGDVLBWDFW-FZMZJTMJSA-N	323.845	3.729	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C)n(C2CC2)c1C	1256387683	CFIACNMMYWSBKH-UHFFFAOYSA-N	312.207	3.548	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1CCCC(=O)O	1573463034	WCJAJXLUXXDKCJ-CQSZACIVSA-N	315.530	3.728	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cccc(F)c2C(=O)O)CCCC1	1591192005	KFYWXVHQTWFUHF-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
O=C(O)[C@H](CF)NCc1cccc(S(F)(F)(F)(F)F)c1	1608534125	QRNPTAYENKFAME-VIFPVBQESA-N	323.258	3.856	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc2c(c1)OCO2	8103463	XDCBGAGTPAEBGA-TZMCWYRMSA-N	316.401	3.593	50	20	DHGD	
CCCOc1c(Cl)cc(/C=C(\C#N)C(=O)OCC)cc1OC	8120577	QOWHQJUGBOAREW-KPKJPENVSA-N	323.776	3.607	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1	44014115	IKAVORYZXADWPH-WJDWOHSUSA-N	306.365	3.939	50	20	DHGD	
Cc1cc(C)n(-c2cccc(NC(=O)NNc3ccccc3)c2)n1	120057232	RBFHCERQCFXVHO-UHFFFAOYSA-N	321.384	3.638	50	20	DHGD	
Cc1ccnc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	121585576	LONOXKUYUDLPMM-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
N#C/C(=C\c1cnc2ccccn12)C(=O)c1c[nH]c2ccccc12	133169652	CECMDXSYZKRHKN-UKTHLTGXSA-N	312.332	3.605	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2c[nH]c3cccc(C)c23)c1	150805212	XNQABPXPKLLNCH-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3c(C)c(C)ccc3[nH]2)c1	150842906	RWLZVUCSAJXGOI-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1SCCc2ccccc21	160789682	OCGMKGHKAGAJCM-MRXNPFEDSA-N	316.401	3.608	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(CC(C)C)c2)c(C)c1	180699257	ZJYICKGJTGUUOG-CAOOACKPSA-N	322.412	3.702	50	20	DHGD	
CCCc1nc(C(=O)NNc2ccc(C(C)(C)C)cc2)co1	273618571	LRSWNZJEZHCBDU-UHFFFAOYSA-N	301.390	3.682	50	20	DHGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNc1ccc(F)cc1F	492315130	AAIBFURVWFOKBE-QHHAFSJGSA-N	313.307	3.603	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	588555260	IRPKJAMUZBOOLJ-KAMYIIQDSA-N	315.394	3.538	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@@H](CO)Cc2ccccc21	616672276	MFIGTHBZKVAYSC-HNNXBMFYSA-N	321.537	3.679	50	20	DHGD	
CCC[C@@H](Cc1ccccc1)NC(=O)NNc1ccc(F)cc1	727945967	XURBAEOXONXHKQ-KRWDZBQOSA-N	315.392	3.863	50	20	DHGD	
COc1ccc2oc(C(C)=NNC(=O)C(C)(C)C)c(C)c2c1	729142290	PNLZDCZUHGKDDL-UHFFFAOYSA-N	302.374	3.636	50	20	DHGD	
O=C(NN=C1COc2cc(Cl)cc(Cl)c21)c1ccccc1	743418224	XGQJXQQKMHMFKA-UHFFFAOYSA-N	321.163	3.520	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)C1CCCCCCC1	743482964	PRIDZTHOGYGHES-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(Cl)ccc1O	746698697	MIANITDEHISLLA-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CCCCCOc1cc(/C=C(\C#N)C(=O)OCC)ccc1OC	747032485	GILAJMNRYNBENF-RVDMUPIBSA-N	317.385	3.734	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2cccc(Br)c2)C1	748030448	SGSIROIJEUVGSD-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@H]2CCc3ccccc3C2)c1	748382721	XIZPYHSCXRVHCF-INIZCTEOSA-N	308.425	3.942	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(OC(F)F)cc1	748649248	OFSPYSMLFURXFG-VXGBXAGGSA-N	312.360	3.948	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H]2CCCC[C@H]2C)cccc1[N+](=O)[O-]	748674068	XUPDTPUFYLBECK-YPMHNXCESA-N	305.378	3.563	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1ccc(Cl)cc1	749274535	TWILLBMFEYVNPL-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
Cc1cc(C=NNC(=O)CC2CCCC2)cc(C)c1OC(F)F	749449629	IQLSPZPOZFSZON-UHFFFAOYSA-N	324.371	3.935	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2ccc(F)cc2C)ccc1F	757143116	ZEBBTESJSVHZIN-UHFFFAOYSA-N	318.323	3.623	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(OC(F)F)c2)C[C@H]1C	767376783	DYJWLSIHTLZQSA-GHMZBOCLSA-N	310.344	3.830	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3nc4ccccc4[nH]3)oc2cc1C	768508110	YVATXXVFTGXVDV-UHFFFAOYSA-N	320.352	3.683	50	20	DHGD	
COc1ccc(NNC(=O)C(C)(C)c2ccc(Cl)cc2)cc1	769018532	CBAVPDXIKHRKKQ-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(Cc2ccc(Cl)cc2)CC1	770635185	MUSSQWAFRWBHLX-UHFFFAOYSA-N	318.779	3.945	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H](C[C@@H]2CCOC2)C1	773704071	GLLOMWXFPKKTKS-PBBMULNCSA-N	314.404	3.829	50	20	DHGD	
Cc1ccc(-c2ncc(C(=O)NNc3ccccn3)s2)c(C)c1	777473724	WVRPCPDFUSSFJN-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CSCCC(C)C	777476561	LWVUGQNUMLTWNA-UHFFFAOYSA-N	317.458	3.766	50	20	DHGD	
Cc1noc(C)c1NC(=O)NNc1ccc(C(C)(C)C)cc1	780539788	PFWPQZLSTUEPLH-UHFFFAOYSA-N	302.378	3.738	50	20	DHGD	
CCc1onc(C)c1NC(=O)NNc1ccc(C(C)(C)C)cc1	780613952	IFSTVOJSZBKYIC-UHFFFAOYSA-N	316.405	3.992	50	20	DHGD	
CC(C)[C@H](C)N(C(=O)[C@@H](Br)C(C)(C)C)C1CC1	781078711	BIUTUPXBUKROTE-CMPLNLGQSA-N	304.272	3.832	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)C1CCCC1	781552888	FQGMQUWBQWWXJM-KPKJPENVSA-N	304.733	3.914	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNC(=O)c1ccc2ccccc2c1	785880852	OUGMVZPGYBQZKW-UHFFFAOYSA-N	322.364	3.631	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1ccc(Cl)c(Cl)c1	786676365	QVBUVJVSJLDUJQ-VZUCSPMQSA-N	324.163	3.579	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1cccc(C(F)F)c1	790902307	VJWQQZXQYDVMGM-UHFFFAOYSA-N	308.303	3.758	50	20	DHGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)CC(C)(C)C)cc1OC	794508108	KTNIIGHPODLVFZ-LBPRGKRZSA-N	320.433	3.736	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1ccoc1C	794940393	YITOSEPEFLLJAJ-AUWJEWJLSA-N	309.321	3.693	50	20	DHGD	
Cc1oc(C#N)cc1C(=O)NNc1ccc(Cl)cc1Cl	797947890	YLDRQHBBACXZGO-UHFFFAOYSA-N	310.140	3.523	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CCC[C@@H](SC)C1	799588392	RXPXYLHVVJSUOB-LSDHHAIUSA-N	321.490	3.858	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](CC)Nc1ccccc1	799757323	RAGATEYZJAOYJU-QGZVFWFLSA-N	311.429	3.891	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1c(Cl)cccc1Cl	800516161	KWSHTLOQXRJCKL-UHFFFAOYSA-N	307.246	3.826	50	20	DHGD	
CSSCCNc1nc(C(F)F)nc2ccccc12	804699344	MLWTYVKSUPDZJS-UHFFFAOYSA-N	301.387	3.991	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@H]1CC[C@H](C)O1	812766726	VSTKHKBGAXSWCX-LSDHHAIUSA-N	304.434	3.909	50	20	DHGD	
CO[C@@](C)(C=NNC(=O)Nc1ccc(C)cc1Cl)C1CC1	814855622	QBQYMOCQZISTBC-HNNXBMFYSA-N	309.797	3.571	50	20	DHGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NCC(Cl)Cl	816605585	FLPBHBLKCIROTD-UHFFFAOYSA-N	317.260	3.987	50	20	DHGD	
Cc1cc(C(=O)NCCCSC#N)c(C)n1C1CCCCC1	819699300	YZMQJKWGPCPQQK-UHFFFAOYSA-N	319.474	3.944	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)cc1	821939678	YRNXEOGSXIVBGT-DOTOQJQBSA-N	304.434	3.704	50	20	DHGD	
CN(NC(=O)Nc1cc(Cl)ccc1OC1CCCC1)C1CC1	824298984	UIRQMENANLILIM-UHFFFAOYSA-N	323.824	3.792	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@@]1(C)CC1(Cl)Cl	828765835	HXPJKGNXFQREQB-LBPRGKRZSA-N	305.180	3.551	50	20	DHGD	
Cc1occc1C=NNC(=O)c1cc2c(s1)CCCCC2	841614150	LIBNRUBRMFXMFO-UHFFFAOYSA-N	302.399	3.682	50	20	DHGD	
CCc1cccc2cc(C=NNC(=O)OCC(F)(F)F)oc12	853427559	OCRKZLGZUJFAOK-UHFFFAOYSA-N	314.263	3.618	50	20	DHGD	
CC1(C)C[C@]1(C(=O)NNc1ccc(Cl)nc1)c1ccccc1	857140685	BOIKRKAAKHFITE-QGZVFWFLSA-N	315.804	3.546	50	20	DHGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)sc2ccc(F)cc12	862308998	KNQPCHYTAMVBFL-SSDOTTSWSA-N	320.311	3.534	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=CCC(C)C	863966523	CSEJTZKPVDLGOK-UHFFFAOYSA-N	301.415	3.880	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21	915976470	GSVUGIKMYKRBRO-SNVBAGLBSA-N	301.365	3.510	50	20	DHGD	
CCC(=NNC(=O)c1ccccn1)c1ccc(Cl)cc1Cl	916246604	FFIBTJKDYDBWLR-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)NNc1c(F)cccc1F	1324598900	FAJLYRKZXKPJEL-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
Cc1ccc(C(C)(C)CNC(=O)c2cccc(CCl)c2)nc1	1353751525	CBKJASUNNXUJRX-UHFFFAOYSA-N	316.832	3.836	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)o1)C(=O)c1ccc(Cl)cc1F	1601045292	KCHOJTOOXAXNKF-YVMONPNESA-N	319.675	3.560	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1ccccc1C(=O)O	1605022492	QNOGBTVUTCJCAJ-CQSZACIVSA-N	318.417	3.825	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1605238262	SWLRMFNDMHYIPX-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
CC(C)(C)OC(=O)N1C2CCC1(CCBr)CC2	1898243569	QNIVIHAGAFEAHE-UHFFFAOYSA-N	304.228	3.704	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(F)ccc2Br)c1	72767116	ADSAPDRDUTWZIW-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)NNc2ncccc2Cl)c1	92929553	OEZQJZQZZSPVGT-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)no1	124282848	LSFOHVAYTIYJLO-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(-c3ccc(F)cc3)on2)c1	157167964	OWUICIXZPHTXJS-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COc1cccc(NC(=O)NNc2nc3ccccc3cc2C)c1	181410042	FJUVTDZTKYODIV-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccc(F)cc1F	181481238	PWFKGSXMGJNJDL-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC2(CCCCC2)CC1	188364053	MGUQUNREIXNZFB-SAPNQHFASA-N	324.424	3.872	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cccc(OCC)c1OCCC	206065664	HJHMRAKJJLQHCL-NTCAYCPXSA-N	315.369	3.510	50	20	DHGD	
CC(C)CC(=NNC(=O)CNc1ccccc1)c1ccccc1	252457471	LMTJLYOQVMATHZ-UHFFFAOYSA-N	309.413	3.665	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)nn2C)cc1	491102339	HNKILJRRRYZTSQ-YYTPVVGHSA-N	322.412	3.788	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(F)c(F)c1)c1ccccc1	731932073	YADWHZBWLQOYQO-AWEZNQCLSA-N	302.324	3.609	50	20	DHGD	
Cc1ccc(OC(=O)c2c(C)nn(CCCl)c2C)c(C)c1	733873988	CLAQPXCYAHKACX-UHFFFAOYSA-N	306.793	3.575	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CSc2ccccc21	735587356	UDMFNSGSUYSUSZ-CYBMUJFWSA-N	319.817	3.813	50	20	DHGD	
CCCCNC(=O)NN=C(C)c1cccc(-c2ccncc2)c1	741461787	QKPSBYLIUIORDP-UHFFFAOYSA-N	310.401	3.572	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(C#N)o3)n2)cc1	742349723	IXMXOAVBEMUAEC-JYRVWZFOSA-N	302.293	3.574	50	20	DHGD	
CCc1noc(C)c1C(=O)NNc1ccc(Cl)cc1Cl	748009167	DWHIAWDISQTJKA-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
CC(C)Cc1ccc(CCC(=O)NNc2ccc(C#N)cc2)cc1	752142955	UPNXONXQVQKTNY-UHFFFAOYSA-N	321.424	3.833	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(COC)o2)c1C	764412387	QYHBKDSDVWWMND-XNTDXEJSSA-N	324.380	3.820	50	20	DHGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)c1ccccc1	765500371	REJIPJZJVBZQTP-XFXZXTDPSA-N	302.255	3.890	50	20	DHGD	
C#CCCCOC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	766878158	OLQGVSKSWGOTQO-WQRHYEAKSA-N	312.413	3.625	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@H]1C	767356552	UOIKEKMJKWPGNO-CHWSQXEVSA-N	311.385	3.884	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](Br)C(C)(C)C)c1	768310425	BOWAYWCCDMCMLH-LBPRGKRZSA-N	313.239	3.556	50	20	DHGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	771440388	NVSDRJVUXJMHTJ-JTQLQIEISA-N	322.771	3.570	50	20	DHGD	
CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)Cc1c[nH]c2ccccc12	773190222	CVYMKUBJMJTUAN-PBHICJAKSA-N	309.413	3.805	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc(Cl)c1)c1ccccn1	773750687	GPSRAAJPBNELSF-AWEZNQCLSA-N	303.793	3.762	50	20	DHGD	
Cc1c(C(=O)NNc2cc(Cl)ccn2)oc2ccc(F)cc12	778447264	KDSUIGKSRWNYDA-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
N#C/C(=C/c1cccnc1)C(=O)c1cccc(C(F)(F)F)c1	780375125	TXQUSMIUJRTJPT-QPEQYQDCSA-N	302.255	3.890	50	20	DHGD	
N#CC1=CCN(Cc2ccccc2OCc2ccccc2)CC1	780896091	CQHAUWDVPVWACC-UHFFFAOYSA-N	304.393	3.921	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@@H]1CCC2(CCCC2)O1	785349122	MDJOUGONWLGAEQ-WBILKINKSA-N	311.381	3.629	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)sn1	785451640	TXWYWUIIQJXHJO-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)C(=O)NC1CCCCC1	790102137	YMFKWTGUBFETKT-SFQUDFHCSA-N	324.424	3.831	50	20	DHGD	
O=C(OCC(F)(F)F)Oc1ccc([N+](=O)[O-])c2ccccc12	790224943	UZSAYZNZGWZYPO-UHFFFAOYSA-N	315.203	3.826	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)n2)oc2ccc(Cl)cc12	804770647	LWYRXQFSDUVVSF-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
CC[C@@H]1c2ccccc2CCN1C(=O)NCCSSC	807226574	PVZDYOXEUMEXGH-CQSZACIVSA-N	310.488	3.717	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cscc1C(F)(F)F	811692155	XKCNJUHTIKVMKW-YHYXMXQVSA-N	323.361	3.846	50	20	DHGD	
C=C(CBr)CN1CC[C@H](c2ccc(CC)cc2)C1	814641535	HNGVBZPFKKMLGJ-INIZCTEOSA-N	308.263	3.989	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CCC1	833479899	LMMOLHKAVWWTJE-UHFFFAOYSA-N	324.808	3.698	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)c(Cl)c1	836937894	QHZOCYPUVRJYPV-NWDGAFQWSA-N	322.836	3.733	50	20	DHGD	
O=C(CC1(CSc2ccccc2)CC1)NCC(Cl)Cl	837646483	OIUMSCACFQVPAG-UHFFFAOYSA-N	318.269	3.869	50	20	DHGD	
CC(C)(CC#N)CNC(=O)NNc1cccc(Cl)c1Cl	838756067	OJNLUWVDEQDRMO-UHFFFAOYSA-N	315.204	3.559	50	20	DHGD	
COc1cccc(NC(=O)CCCC[C@@H]2CCSS2)n1	855139805	FRXVHEMJCIHKAD-LLVKDONJSA-N	312.460	3.743	50	20	DHGD	
CCC[C@@H](C(=O)NCCCSC#N)c1cccc(Cl)c1	861551653	QYIIKIZAKMZMAQ-CQSZACIVSA-N	310.850	3.944	50	20	DHGD	
C[C@@H](NNC(=O)C(C)(C)c1cccc2ccccc12)C(F)(F)F	862320029	DONLASIEPNQGEV-LLVKDONJSA-N	324.346	3.689	50	20	DHGD	
CCCn1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)nn1	865224303	PXLCSCHTLYRAEO-XFFZJAGNSA-N	301.419	3.506	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cnc(C(C)C)nc1C	880224592	HQCHAOSXKYIPBA-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
O=C(NN=C/C(Br)=C/c1ccccc1)C1CCCC1	914836512	PLBAZGRLBGKZFC-PWZGHNGRSA-N	321.218	3.715	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(N(C)c2ccccc2)cc1	915973596	BIERBSWWCIWWFT-HNNXBMFYSA-N	309.413	3.951	50	20	DHGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1cccc([N+](=O)[O-])c1	916245496	CVTKMCGUKKMEJY-CHWSQXEVSA-N	315.373	3.671	50	20	DHGD	
CCC(=NNC(=O)COc1cc(C)ccc1C)c1cccs1	916299193	BPTLCKJZCJNMIG-UHFFFAOYSA-N	316.426	3.674	50	20	DHGD	
O=C(NN=Cc1c(O)ccc2ccccc12)NC1CCCCC1	916299545	PDZUAQLIABOTCH-UHFFFAOYSA-N	311.385	3.511	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc(Br)cs1	916360656	CXRQMOYFQUHMST-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)c1ccc(OC)cc1	1115818791	YOWQCUSQQGCDSP-UHFFFAOYSA-N	322.364	3.768	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1cncn1-c1ccccc1	1116884139	DEPNRVSGQOBDAO-GJZGRUSLSA-N	324.428	3.804	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	1337198388	OVUNJRPCSUYGNX-VIFPVBQESA-N	317.216	3.642	50	20	DHGD	
O=C(CCl)NCC1(c2ccc(Cl)cc2)CCCCC1	1341509549	HLLUBLWSYQLLNN-UHFFFAOYSA-N	300.229	3.897	50	20	DHGD	
O=c1[nH]c(CCCCCl)nc2cc(-c3ccccc3)oc12	1347735598	JSZDCDWWYPLHHB-UHFFFAOYSA-N	302.761	3.745	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccoc2C)ccc1OC	16391364	DJPVZDUNZXOVPE-NTEUORMPSA-N	311.337	3.785	50	20	DHGD	
O=C(CCCOc1ccccc1F)NNc1cccc(Cl)c1	80327119	LCJPYUSSKFHJCQ-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
CC(C)OCc1cccc(NC(=O)NNc2ccccc2F)c1	92599346	VWLQEZAWQZCBCF-UHFFFAOYSA-N	317.364	3.899	50	20	DHGD	
CCCCC(=O)NNc1ccc(Br)cc1Cl	104122822	BPRRHMBHLDYEEZ-UHFFFAOYSA-N	305.603	3.736	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1OC	125423095	QUWFKNDHSNWCCU-JYRVWZFOSA-N	300.383	3.841	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1csc(-c2ccccn2)n1	128056689	RXBHEUPCSRTQOW-WQLSENKSSA-N	321.361	3.896	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccccc1Cl	132512335	WORNGPUMMXCBTD-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(F)cc1C(F)(F)F	151370690	AZSSBXOCWQWSHO-BJMVGYQFSA-N	301.239	3.703	50	20	DHGD	
O=C(NNc1ccccc1F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	153075660	JNDQTGSDWHGRMT-VDQHWBOFSA-N	306.356	3.577	50	20	DHGD	
I[C@@H]1CCC[C@H]1OCc1ccccc1	158128019	JMFCZIVQOBUVCU-VXGBXAGGSA-N	302.155	3.559	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1cccnc1	181405951	IRGICLQYGJZORJ-CYBMUJFWSA-N	312.417	3.766	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1	184613600	MUYBDJAMICJYST-BQYQJAHWSA-N	318.682	3.741	50	20	DHGD	
COc1ccc(C(=O)NN=C2C[C@H](C)CC(C)(C)C2)cc1OC	254624201	MIQQZWJWCQXTAS-LBPRGKRZSA-N	318.417	3.636	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	727689457	QBQHSTWIKPEKIJ-XDNAFOTISA-N	310.441	3.938	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C(C)CSC(C)(C)C	729636366	ZVHGYARHYTXSPZ-UHFFFAOYSA-N	322.474	3.652	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNc1nc(C)cc(C)n1	733253240	XQDQSTSVIPKGET-HNNXBMFYSA-N	304.438	3.533	50	20	DHGD	
O=C(NN=Cc1cc(F)ccc1F)c1cccc2ccccc12	741463054	WKZIDXCKHUCWDP-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
O=C(COc1ccc(Cl)cc1Cl)NN=CC1CCCC1	741837207	IJYYZYVKLCDDFP-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNC(=O)c1cccn1C	742489794	ONMOOJUNNHASSQ-SFHVURJKSA-N	321.465	3.563	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(C)cc(C)cc2C)s1	743763231	CEUQCFZVNOOIFS-UHFFFAOYSA-N	302.399	3.633	50	20	DHGD	
O=C(C=C(C1CC1)C1CC1)NNc1cccc(Br)c1	748020670	MEGYOURVABHEFR-UHFFFAOYSA-N	321.218	3.639	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2c(C)cccc2C)c1	755570151	DYZSCAFAJTYZPT-GDNBJRDFSA-N	306.365	3.858	50	20	DHGD	
C[C@H]1CCC[C@H](C=NNC(=O)Nc2ccc(N(C)C)cc2)C1	768360801	ANMCCGACQXKKPS-KBPBESRZSA-N	302.422	3.686	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2c(F)cccc2Cl)n1	770202198	MWVWGXBOEVGRIR-UHFFFAOYSA-N	307.756	3.754	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	775730459	CNOAQFBBLRRLEY-NVXWUHKLSA-N	318.461	3.934	50	20	DHGD	
C=CC[C@H](C(=O)OC[C@@H](C)CBr)c1ccccc1	778430936	XHVGVMHZEXZBMG-JSGCOSHPSA-N	311.219	3.921	50	20	DHGD	
C[C@H]1CC[C@@H](C)N1[C@@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780803942	SHFKHEIPYZBDLR-ZNMIVQPWSA-N	317.477	3.689	50	20	DHGD	
COC1CCC(C(=O)NNc2c(Cl)cccc2Cl)CC1	780912616	NKDSMLQZGHWYSV-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(F)c3)n[nH]2)cc1C	780948837	UNWHEGGPKIDOHX-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(Cl)ncc1Cl	781029757	CNSYFFAIUSADOB-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@H](C)[C@@H]2C)o1	781122846	OHKRDTCSXARBDW-KBPBESRZSA-N	319.449	3.663	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1cccc2cccnc12	785350828	JIENKCADHZROAV-LDADJPATSA-N	314.344	3.885	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(F)cc1OC)c1ccc(F)cc1	788192231	ATFOIGPTYXUWRI-AWEZNQCLSA-N	320.339	3.610	50	20	DHGD	
COC1CCC(C(=O)NNc2cc(Cl)cc(Cl)c2)CC1	791729281	KARNBEPRDLZOQK-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
CC[C@@H](C)[C@@H](OC)C(=O)NNc1c(Cl)cc(F)cc1Cl	793756209	LBJDKXGFKZGPIK-JMCQJSRRSA-N	323.195	3.637	50	20	DHGD	
C=C(CBr)COC(=O)CCc1cc(C)cc(C)c1	795583059	NXOHRYBRSBCBQJ-UHFFFAOYSA-N	311.219	3.730	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(C2CC2)nc2ccccc12	808247757	NMUJXEUYGBJRSC-UHFFFAOYSA-N	323.223	3.988	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)C[C@H]1CCCCO1	811458403	UPECDSITSNKOEK-QGZVFWFLSA-N	311.853	3.695	50	20	DHGD	
CCN(C[C@H](C)OC)C(=O)CCCC[C@@H]1CCSS1	812777209	ZGZMROJDBQNKDV-QWHCGFSZSA-N	305.509	3.584	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@@H](C3CC3)C2)cc1	813843527	SVUJWWFCCANHHB-ZCWPUFOUSA-N	324.424	3.641	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)c1cccc(Br)c1	841626908	VTPCMHKMSOQRNO-UHFFFAOYSA-N	322.206	3.639	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnn1CC(C)C	843889879	GTFQQCJYMZZFIO-UHFFFAOYSA-N	314.433	3.728	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc2ccncc2s1	849179688	VOMJSIWGPSQQBN-UVTDQMKNSA-N	313.426	3.900	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CC(F)(F)C(F)F)C1	852524633	MTEGBLQYWKYZTD-SNVBAGLBSA-N	315.427	3.983	50	20	DHGD	
CC(C)CC(=NNC(=O)OCC(F)(F)F)c1cccs1	853430980	SPRRTHBLUXILJG-UHFFFAOYSA-N	308.325	3.787	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NCCCSC#N)cc1	854366760	GCKVHYJYVIPYGV-UHFFFAOYSA-N	306.431	3.588	50	20	DHGD	
C[C@@]1(CNCc2cnc(C3CCC3)s2)C[C@@H]1Br	856807464	OESVPLXGFXSOCF-AAEUAGOBSA-N	315.280	3.674	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	912584572	JPDMVAIXOJPSDM-ZDUSSCGKSA-N	309.482	3.824	50	20	DHGD	
Cc1cc(C=NNC(=O)C2CC2)c(C)n1-c1ccc(Cl)cc1	916290737	NEZRQKOMLIEDBP-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC1=CC(=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)CC1	916335822	QPTZGXSHANTBHE-CQSZACIVSA-N	308.381	3.819	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccc(F)cc3)cc2C1	916356526	GLKHRKNIKQAHDF-LLVKDONJSA-N	316.401	3.776	50	20	DHGD	
COc1cccc([C@H](C)NC(=O)NNc2ccccc2Cl)c1	918108207	ARGHPRUQWGYHED-NSHDSACASA-N	319.792	3.736	50	20	DHGD	
O=C(NCc1ccco1)NN=Cc1ccccc1-c1ccccc1	920829922	VWFSUHCGDVNXIF-UHFFFAOYSA-N	319.364	3.780	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	921255386	PPLYFEYCKOZYPY-UHFFFAOYSA-N	310.441	3.970	50	20	DHGD	
C/C=C/COC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	923147126	NFKUDINEYLEFCO-GBVVBBQNSA-N	300.402	3.931	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)Nc1cnn(C2CCC2)c1	934304675	WFXDZGHRFYXYHB-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)c2ccccc2Cl)cc1	1084613110	ZHXFOTHJCUTTIW-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
Cc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCl)s2)cc1	1320465786	MFJNHGPTSGYJOI-SNVBAGLBSA-N	308.834	3.843	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cs1)c1nc(N)c2ccccc2n1	1321297286	RHEQCSQLBDBKFF-WEVVVXLNSA-N	312.785	3.991	50	20	DHGD	
Nc1ccc(C=NNC(=O)c2ccc3ccccc3c2)c(Cl)c1	1347530013	WKTJQSWARCWZOQ-UHFFFAOYSA-N	323.783	3.839	50	20	DHGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)c1cccc(F)c1F	1519847342	CCBKAGGVVMASII-WHXUTIOJSA-N	301.764	3.940	50	20	DHGD	
CCCCCC1=CCCC1=NNC(=O)c1cccc(C(=O)O)c1	1776094662	FMZXVHPNYTXPRK-UHFFFAOYSA-N	314.385	3.771	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(/C=C/C(=O)O)o2)c1C	1777443722	NGTAKBOXKMLHGE-RBDUQRJVSA-N	321.332	3.784	50	20	DHGD	
COC(=O)c1ccccc1-c1ccc(/C=C(\C#N)C(=O)C(C)C)o1	44027301	DWYUJXYRXUYOPO-JLHYYAGUSA-N	323.348	3.865	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)s1	45480938	SXNVXWROFOPMKS-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
COc1cc(OC)cc(Oc2ccc(C=C(C#N)C#N)cc2)c1	65222261	ZGQHWKCDZZXFMK-UHFFFAOYSA-N	306.321	3.927	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@@H]1c1ccc(F)cc1	124477392	NVTJJEAZTQVZDA-OLZOCXBDSA-N	304.752	3.726	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ccc(C(F)(F)F)cn1	132191907	OCEPKGSRQFPZLM-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
Cc1cccc(NC(=O)NNC(=O)c2cc3ccccc3o2)c1C	160389917	DYBJZCASQKNTND-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
COc1ccc(Br)c(/C=C(\C#N)C(=O)CC(C)C)c1	178528522	DODGVUVHYDGHND-KPKJPENVSA-N	322.202	3.980	50	20	DHGD	
CC(C)(C)c1ccc(SCC(=O)NNc2ccccn2)cc1	181200858	KUNZNNGEGOGCHF-UHFFFAOYSA-N	315.442	3.615	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	184840890	OWBLCLAYNJDFPP-GZTJUZNOSA-N	304.349	3.743	50	20	DHGD	
Cc1ccccc1C=NNC(=O)COc1ccc(C(C)(C)C)cc1	254287018	FSWXZNMVVPRWNS-UHFFFAOYSA-N	324.424	3.822	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ccn(C)c1	271963351	RWYONXZQZPLDCE-UHFFFAOYSA-N	313.426	3.975	50	20	DHGD	
CC(=O)c1ccc(CC(=O)NNc2ccc(C(C)(C)C)cc2)cc1	272835402	PMCAIDNIQSKQBR-UHFFFAOYSA-N	324.424	3.873	50	20	DHGD	
C=C(CBr)CN[C@H](COCC(C)C)c1ccco1	279757005	QYCJEHRBEGSHKD-CYBMUJFWSA-N	316.239	3.534	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)[C@H]1CCCOC1	281002207	NQHGGAQOXUIBMK-DREKTBMASA-N	310.180	3.896	50	20	DHGD	
Cn1c(SC/C=C/C#N)nnc1-c1ccc(C(C)(C)C)cc1	298375095	PPAWAABCUKXVCU-AATRIKPKSA-N	312.442	3.951	50	20	DHGD	
CCc1cccc2c(C=NNC(=O)c3ccccc3OC)c[nH]c12	731488131	VLJAOEPIIPVEOM-UHFFFAOYSA-N	321.380	3.503	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cnn(C(C)C)c2)c1C	732804545	PBTQARUAKUPBHP-RQZCQDPDSA-N	322.412	3.858	50	20	DHGD	
CCC(CSc1ccc(Cl)cc1)=NNC(=O)c1ccc[nH]1	734296220	JRJMDCCEGRMYIF-UHFFFAOYSA-N	321.833	3.956	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3cc(F)c(F)c(F)c3)nc12	741473229	OQKDIQHZSQCKTH-WMZJFQQLSA-N	314.270	3.748	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)Oc2ccccc2F)c(C)c1	743761880	DQGKTLICMZNVKL-CQSZACIVSA-N	316.376	3.662	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OC[C@H]2C[C@H]3CC[C@H]2C3)c1	747576492	REECOIKEGKNOPZ-UTSRZJSCSA-N	311.381	3.582	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccccc1F	748049146	VTAWPPRMCSZQQO-HNNXBMFYSA-N	300.377	3.784	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1ccc(F)cc1Br	748076735	MHAXUSWKBHZPTJ-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C(C)(C)Cc2ccccc2)c1	748785135	LONWCFWZQRXFIM-UHFFFAOYSA-N	300.377	3.846	50	20	DHGD	
CN(NC(=O)Nc1ccccc1C(F)(F)F)c1ccccc1	748821825	NVDXOWASROOORC-UHFFFAOYSA-N	309.291	3.878	50	20	DHGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1ccc(Cl)cc1	749284111	NSNIQORACZKZEV-LBPRGKRZSA-N	310.825	3.911	50	20	DHGD	
O=C(CCCC1CCCC1)NNC(=O)c1cc2ccccc2o1	749481166	LFDHSECVIZNYJM-UHFFFAOYSA-N	314.385	3.554	50	20	DHGD	
CN(Cc1ccccc1)[C@@H]1CCN(/C(=C/C#N)c2ccccc2)C1	750801408	ZTIAQUXXJUBDDG-BCVDLATCSA-N	317.436	3.757	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@H]1Cc1ccccc1	752315091	PHPYZTXKOQPSSH-DUPIZPNJSA-N	319.364	3.776	50	20	DHGD	
C[C@H](CC(=O)NN(C)c1ccccc1)c1ccc(F)cc1F	752610027	GOEJGHQAGYPMFJ-GFCCVEGCSA-N	304.340	3.626	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1	761489082	ZFJSFAPESYZSSI-FLIBITNWSA-N	324.402	3.515	50	20	DHGD	
Cc1ccc(NC(=O)[C@H](Br)C(C)(C)C)c(F)c1	781071069	QKWCEVJMUJODDE-NSHDSACASA-N	302.187	3.882	50	20	DHGD	
CC(C)C(=O)NNC(=O)Nc1ccc(C(C)C)cc1C(C)C	782549385	QWTCJGNKRVDGNS-UHFFFAOYSA-N	305.422	3.742	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	786039801	HRBAQILSWAMPDN-JLHYYAGUSA-N	319.357	3.775	50	20	DHGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1C	787049639	CBYFVMHBUFCKCU-FOWTUZBSSA-N	306.365	3.661	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790100755	HXDZSQPGKLJBDL-DHZHZOJOSA-N	316.307	3.656	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1n[nH]c2ccccc12	791722015	GSBMLYPFEQPGLW-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C#N)c(Cl)c1	799755182	JJHYSMQJGSTNAC-UHFFFAOYSA-N	313.788	3.839	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1Cl	806679351	GGCSJELCRRPHSD-UHFFFAOYSA-N	314.776	3.923	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc3cnccc23)nc1	810687797	ZWGSEASGBXRVRH-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
ClCCCOc1ccc(CN2CCOCC3(CCC3)C2)cc1	811490987	WZFQYLQHBHBHEP-UHFFFAOYSA-N	323.864	3.697	50	20	DHGD	
COc1ccc(F)cc1C=NNC(=O)c1ccc2ccccc2c1	812226755	JOQDUHFHMXQKMW-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(-c2ccc(F)cc2)s1	814987547	SHURFFLKLMLVKF-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CSSCCNC(=O)Nc1cccc(F)c1SC	824362190	KSYMFEUTEIHMSH-UHFFFAOYSA-N	306.453	3.680	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCCC34CCC4)n[nH]2)cc1	834942331	ZAWGYBNZNIPHOK-UHFFFAOYSA-N	322.412	3.825	50	20	DHGD	
Cc1ccc(CCNCc2ccc(OCCCCl)cc2)nc1	835064971	JJMNKWWKQJTJHI-UHFFFAOYSA-N	318.848	3.730	50	20	DHGD	
Cc1ccc(NNC(=O)c2ncsc2C(C)C)c(Cl)c1	836934770	GTIWXCMWHBRIBU-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CS[C@H]1CC[C@@H](NC(=O)NNc2ccc(C(C)C)cc2)C1	838495105	MMNMGSJDNAVTAZ-CABCVRRESA-N	307.463	3.720	50	20	DHGD	
CN1CCC[C@H](CCNCc2ccc(OCCCCl)cc2)C1	839182814	PVWTUPBXKDIQCJ-QGZVFWFLSA-N	324.896	3.516	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1	840735269	OWEVUHONGLKPBW-YFHOEESVSA-N	301.239	3.809	50	20	DHGD	
C[C@@]1(CNC2CC(c3ccc(F)cc3)C2)C[C@H]1Br	857064905	GCUUFRUFJADXLL-AXVKAWJUSA-N	312.226	3.835	50	20	DHGD	
COc1ccc([C@H](C)NC[C@@]2(C)C[C@@H]2Br)c(F)c1	857082607	OZWWHBRZJPKNKI-QCZZGDTMSA-N	316.214	3.658	50	20	DHGD	
C[C@@]1(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C[C@@H]1Br	907214700	GPZOTJOAISCEES-DZGCQCFKSA-N	319.202	3.794	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1ccc2ccccc2c1	915919166	YKJLUMGYFOBIRU-UHFFFAOYSA-N	317.392	3.792	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc(C)n(CC(C)C)c1C	916361003	NQICDCZRUINSME-UHFFFAOYSA-N	311.429	3.833	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1cc(Cl)ccc1O	916361803	IJZFFGPRARNXQS-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CC(C)[C@H](CNC(=O)NN(C)c1ccccc1)c1ccccc1	918779735	YMOYTJBJGCKDGL-SFHVURJKSA-N	311.429	3.777	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(F)c(F)c2)c(C)c1	920343754	FLIHXKWQZRXCSJ-UHFFFAOYSA-N	319.355	3.716	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1	920752516	KBKQPDOYVTUWCY-UHFFFAOYSA-N	303.337	3.519	50	20	DHGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1	920838264	KPVFQHQSQBKFMR-RDTXWAMCSA-N	324.424	3.586	50	20	DHGD	
C[C@@H](CCC(C)(C)C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1116099389	YVTWBLGWVDHFKX-LBPRGKRZSA-N	321.469	3.615	50	20	DHGD	
Cc1cc(C(=O)NN=C[C@@H](C#N)C(C)C)c(C)n1-c1ccccc1	1319497026	XTOTYHDXZRNOSW-MRXNPFEDSA-N	322.412	3.606	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2cncn2-c2ccccc2)CC1	1323020832	STUBEZIVXBABCS-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CCC[C@H](C=NNC(=O)c1n[nH]c2c1CCCC2)c1ccccc1	1324751314	LTKJTBSTNRXVQM-OAHLLOKOSA-N	324.428	3.588	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccn2C2CC2)c1C	1327377088	WNOOPNBBNMVZKH-PTNGSMBKSA-N	305.381	3.986	50	20	DHGD	
C#CC[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	1343308487	HARLZXMOHFZUFA-GYZOOYGHSA-N	312.413	3.767	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(/C=C\C(=O)O)cc1	1777477171	FHFGPZWHYQZSAR-GZJRMXIGSA-N	323.373	3.944	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(F)cccc2F)cc1	5070488	QFYDVLPBXYQQMM-PKNBQFBNSA-N	314.291	3.519	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1cccnc1Cl	85682273	YESPHPALBWZGDC-ZDUSSCGKSA-N	321.833	3.749	50	20	DHGD	
CCN(CC)[C@H](C(=O)NNc1cccc(C)c1)c1ccccc1	109427715	PFOPRXVIGIOILL-SFHVURJKSA-N	311.429	3.521	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1C[C@H]1c1ccco1	121502090	ADFFREWNLSVHEG-VXGBXAGGSA-N	301.298	3.514	50	20	DHGD	
CC(C)(CO)CCCNC(=O)CCCC[C@@H]1CCSS1	130397543	ZMHRRJGGIVEOOE-CYBMUJFWSA-N	319.536	3.615	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)ccc1F	175431427	CMSLFHQGWZHBKV-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)c(C)n1C1CC1	181090090	NTZZOBHMWVZRTE-UHFFFAOYSA-N	320.396	3.745	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccccc1-c1ccccc1	183061788	UNHZOYXEEQRZEU-UHFFFAOYSA-N	304.353	3.897	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1cccc(F)c1	193161310	IFDQIRTXCMFEID-JLHYYAGUSA-N	311.312	3.633	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccc(C)cc1	193920948	CORQZANCEARMFA-LYPXWFNGSA-N	320.392	3.875	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1CCO[C@@H](CC)C1	281699869	GVYVQAGMZBCRCW-HOCLYGCPSA-N	304.434	3.596	50	20	DHGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNc1ccccc1Cl	492270017	DEZCZUCNYHAEGY-VURMDHGXSA-N	311.772	3.978	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3ccc(C)s3)n[nH]2)cc1	585657465	YSGSUQVARDVRII-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	588428938	BOLVSSQFNAJYIV-GZTJUZNOSA-N	308.356	3.700	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)C(C)(C)c1ccccc1	728134360	KEDSDANWVIZAFZ-ZDUSSCGKSA-N	315.392	3.818	50	20	DHGD	
CCC[C@H](NC(=O)NNc1ccccc1Cl)c1ccccn1	729613391	QWHHSKORPSXDDC-HNNXBMFYSA-N	318.808	3.903	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNc1ccccc1Cl)CC2	730132181	SMGWCNCQYUAJES-OAHLLOKOSA-N	315.804	3.962	50	20	DHGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)c1ccccc1O	743421047	MZVWKXQMNKPUOL-UHFFFAOYSA-N	314.360	3.516	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)c2cccc(F)c2)c(C)c1	743761765	AFLKQBHKNNYCDH-CQSZACIVSA-N	300.377	3.998	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(Cl)nc2ccccc12	748050944	ZOFZAQGLCREJNX-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cn1c(C(=O)NNc2cccc3c2CCCC3)cc2ccccc21	748580372	ARZREUGNGMFBMN-UHFFFAOYSA-N	319.408	3.814	50	20	DHGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2cccc3c2CCCC3)C1	748588833	PHPVFTPRJQHFBY-GOEBONIOSA-N	316.445	3.604	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@H]2C[C@H](C)c3c(C)cccc32)c1	754264837	ZYGOWAVCGXQRLP-LSDHHAIUSA-N	309.413	3.823	50	20	DHGD	
CCCC=NNC(=O)COc1ccc(-c2ccc(C#N)cc2)cc1	755507470	FHVKLBMEBLAVJP-UHFFFAOYSA-N	321.380	3.506	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1	761570657	DCIHKRRLVNVRIA-UHFFFAOYSA-N	310.397	3.961	50	20	DHGD	
CC(=NNC(=O)c1cc(C)n(-c2ccccc2)c1C)C(F)(F)F	761744184	ZHDFGDUITNQBGA-UHFFFAOYSA-N	323.318	3.762	50	20	DHGD	
C[C@@H](CBr)CN1Cc2ccccc2C(F)(F)C1	770667363	PZNMLZUQTMFLBH-JTQLQIEISA-N	304.178	3.625	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCC#Cc2ccc(F)cc2)cc1	771309712	HCCIQHNDOOXVPL-QGOAFFKASA-N	319.335	3.636	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12	771707432	PKHIYBZMRJLUOI-JXFKEZNVSA-N	324.399	3.871	50	20	DHGD	
N#CSCCCNC(=O)c1ccccc1-c1ccccc1C#N	773585998	CDXSFPJYPCXWDM-UHFFFAOYSA-N	321.405	3.559	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CC[C@H]2CCCC[C@H]2C1	774182271	XIXBCIQBTFEUFL-HZSPNIEDSA-N	320.408	3.884	50	20	DHGD	
N#C/C(=C/c1ccc2cnccc2c1)c1nnc2n1CCCCC2	779752935	SYJZISHKRQMWSH-BOPFTXTBSA-N	315.380	3.617	50	20	DHGD	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@H](Br)C(C)(C)C	781092449	VXCIJGBGOUAGNB-XQHKEYJVSA-N	316.283	3.976	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)[C@H]1C	781125766	STBFDPDIJVDEOC-QWRGUYRKSA-N	316.430	3.680	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CC1	782397645	PSLUWNSGYMTHFY-HAQNSBGRSA-N	307.346	3.725	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccc(C#N)cc1	788712318	FUKRTQYBJXJKCW-UHFFFAOYSA-N	311.772	3.538	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)cc1)[C@H]1CCC(C)(C)C1	794275108	MUXNZIQCKPHDNB-DKGMDFAASA-N	300.377	3.770	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cn(C)c3ccc(F)cc23)cc1	794847705	UQUJMVQSGNWSPS-UHFFFAOYSA-N	323.371	3.644	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1C(F)(F)F	799889908	VGWKHJSLGNJBJZ-USTLKGCXSA-N	320.314	3.861	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1nccnc1C1CCC1	805467837	JIZJOXJYTAERIC-LBPRGKRZSA-N	304.438	3.650	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3c(F)cccc3Cl)cn2c1	807263856	VOMTWBOBTCNHGT-UHFFFAOYSA-N	317.751	3.797	50	20	DHGD	
Oc1ccccc1CNCc1ccc(OCCCCl)cc1	811477320	MKQSNGMMTDATCO-UHFFFAOYSA-N	305.805	3.690	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)CSc1ccccc1O	814969019	HQBWMNFZIWEGGD-LBPRGKRZSA-N	306.431	3.557	50	20	DHGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNc1ccc(F)cc1	825313825	FXWPPLRDCISGGC-XOKHGSTOSA-N	322.424	3.746	50	20	DHGD	
CCSCc1ccc(NS(=O)(=O)CCCCCl)cc1	830172443	AEWZQECZLSIMMI-UHFFFAOYSA-N	321.895	3.700	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CC[C@@H]2CC2(Cl)Cl)c1	830792401	XTEJWEDDNHBNCL-LLVKDONJSA-N	301.217	3.721	50	20	DHGD	
O=C(/C=C/C1CCCC1)NNc1ccc(OC(F)(F)F)cc1	843831721	YOXDBZFLWLLNEV-BJMVGYQFSA-N	314.307	3.775	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)C1(C(F)(F)F)CCC1	855620432	UNPIPYFXCPLRCC-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
O[C@H]1CCN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	891639263	GKSXKRIAGCLFPB-JTQLQIEISA-N	303.296	3.911	50	20	DHGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)C(=O)c1ccc(F)cc1	899343411	WMKBDBLEHSIZTO-LZYBPNLTSA-N	309.344	3.612	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCSc2ccc(F)cc21	916360929	KRTDQMMYFGEXPC-UHFFFAOYSA-N	314.385	3.764	50	20	DHGD	
O=C(NCCc1ccc2ccccc2c1)NNc1ccc(F)cc1	916634728	OXMIXSNWRNNSSK-UHFFFAOYSA-N	323.371	3.848	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(OC(C)C)cc1	916661954	JHDFUVMVMZGSGQ-UHFFFAOYSA-N	311.385	3.938	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	918595820	ZZWRKOHCLZTPEY-JTQLQIEISA-N	313.785	3.908	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1ccc(OC)cc1	1320214883	IKSBDTPMJNLZQL-UHFFFAOYSA-N	310.353	3.761	50	20	DHGD	
CC(C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCCCC1	1321079497	JCYCLAFJNWHWKX-QINSGFPZSA-N	312.413	3.774	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CC[C@@H]2CCOC2)C1	1326387673	KWVHFSVHQAJOJV-HZPDHXFCSA-N	313.558	3.899	50	20	DHGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccc(Cl)cn1	1349493638	NCBONQDDVUPFKT-KPPDAEKUSA-N	301.217	3.710	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1605254197	SDNVVKSHKGSWNY-OAHLLOKOSA-N	306.406	3.680	50	20	DHGD	
O=C(O)CC[C@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1608706647	MSNJVHQVTYQFGV-NRXISQOPSA-N	323.820	3.506	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NNc1cccc(Cl)c1	49376430	UKTQEUBSWFIZMU-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2cccc(C)c2)c1	72513954	AWELGVSHOYZFER-UHFFFAOYSA-N	300.427	3.680	50	20	DHGD	
Cc1cccc(NNC(=O)c2cnc(-c3ccccc3)s2)c1	76341202	YYOLGXGIKRDFDK-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1ccnc(NNC(=O)c2sccc2-c2ccccc2)c1	88424155	PFAVEGNBCGCNPI-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cccc(-c2ccoc2)c1	89818193	DULSSAOXAWFGLF-UHFFFAOYSA-N	314.291	3.982	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1ccc(F)cc1F	113432953	GTMFWPMOJAOGIQ-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1ccc(C)cc1	154740089	IQUFQXZVBNVZIJ-PTNGSMBKSA-N	307.349	3.802	50	20	DHGD	
CCOc1cccc(NC(=O)NNc2c(F)cccc2F)c1	157298214	PKFLVWPFVSCXDW-UHFFFAOYSA-N	307.300	3.512	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	159456987	JMCVHCRBSONCAA-OJSRQPNCSA-N	323.396	3.665	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1C	170869589	JVIPNJHCBOEYJO-UZUMKDMXSA-N	321.424	3.909	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc(F)c(Cl)c1	178521948	YAFWPVWSBOCSLN-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2O)cc1	179328114	SBOSMTFBELPPBP-RVDMUPIBSA-N	322.364	3.645	50	20	DHGD	
CC[C@@H]1C[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	181118566	WOBHRFGVRUQOMD-CZUORRHYSA-N	304.434	3.632	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cccc(Cl)c1	213118583	CLJVBSHUZKSQTB-LCYFTJDESA-N	312.756	3.894	50	20	DHGD	
C=C(CBr)CN(Cc1cccnc1)Cc1ccco1	279595446	DWPURWSXEOFORK-UHFFFAOYSA-N	321.218	3.628	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc2cc[nH]c12	490909506	OGOOSVQVNYGKGM-UVTDQMKNSA-N	305.312	3.853	50	20	DHGD	
CCc1ccc(C=NNC(=O)[C@H](CC)c2ccccc2)s1	731931400	GWHAPBSHIOFCOD-MRXNPFEDSA-N	300.427	3.954	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C(CC2CC2)c2ccccc2)c1	735970331	ARAHPWTYIMSJRT-UHFFFAOYSA-N	321.424	3.687	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=CC2CCCCCC2)c1	741838253	SVUWXUIAXAOBRK-UHFFFAOYSA-N	302.418	3.755	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC1CC(c2ccccc2)C1	751973305	JSMAULLOKPKGKB-YVLHZVERSA-N	320.367	3.795	50	20	DHGD	
CS[C@@H]1CCCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768294270	KLQCNUCBBWXUMK-MNOVXSKESA-N	322.312	3.540	50	20	DHGD	
O=C(NNc1cccc(Br)c1)[C@H](F)c1ccccc1	769604525	CNYDKWAFRASUFU-CYBMUJFWSA-N	323.165	3.603	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(F)c(F)c2F)c(C)c1	769923863	UDUFGLWKODQGPA-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H]1CC[C@@H](C)C1	776343222	SNXFEHJDHKQDNZ-OLZOCXBDSA-N	319.474	3.564	50	20	DHGD	
CC(C)CCO[C@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780806130	YGSMHAAOWKCSOB-CQSZACIVSA-N	306.450	3.878	50	20	DHGD	
Cc1ccc(-c2nc(COC(=O)/C(C#N)=C\C3CC3)cs2)o1	786668412	FVUJAGIEXAZUNT-SDQBBNPISA-N	314.366	3.615	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccccc2)c1Br	787459102	SVOWUYXJLAWIDL-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C[C@H]1CC[C@@H](C=NNC(=O)c2ccc(Br)s2)C1	800808081	FHYSUCVZKUYFDJ-DTWKUNHWSA-N	315.236	3.662	50	20	DHGD	
C=CCCCC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802092409	NOLCLAWJKSCCEH-UHFFFAOYSA-N	316.188	3.502	50	20	DHGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1cccc(Cl)c1	814732289	GOAXVZHULSKYPP-UHFFFAOYSA-N	324.808	3.871	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OC(C)(C)C)cn2)c1	815853042	SITBNCCSKSQZIY-UHFFFAOYSA-N	313.401	3.633	50	20	DHGD	
COc1cc(Cl)cc(C(=O)NNc2ccc(F)cc2C)c1	815853799	ANMFZYSQIOFSGT-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCOCC(C)(C)NC(=O)CCCC[C@@H]1CCSS1	818024942	ZCRWCHXBFWMUKT-GFCCVEGCSA-N	305.509	3.632	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cncn2C(C)C)c(Cl)c1	819808343	MSNQQGKXKZFUQZ-UHFFFAOYSA-N	319.796	3.581	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ccccc1Br	827506437	RVIGSXILQFZVSE-IINYFYTJSA-N	311.223	3.719	50	20	DHGD	
Cc1cccc2sc(NNC(=O)C[C@@H](C)c3ccco3)nc12	828352014	JENCPQLQEDWGDH-LLVKDONJSA-N	315.398	3.835	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cnn(C(C)(C)C)c2)c(Cl)c1	836434115	KGGMKVPCXBMNHI-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
O=C(NC[C@H]1CCCS1)NNc1cccc(Cl)c1Cl	838511951	SOOQWSQORTWVBE-MRVPVSSYSA-N	320.245	3.515	50	20	DHGD	
CCCn1nccc1/C=C(\C#N)C(=O)c1cc(C)n(CCC)c1C	853001714	YEUJSYKOPXVHJO-FOWTUZBSSA-N	324.428	3.911	50	20	DHGD	
CCOc1cccc(CCC(=O)NNc2cc(F)ccc2C)c1	862168135	NOTBDLUHQVWYOZ-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CCC(=NNC(=O)[C@@H](CC)c1ccccc1)c1ccc(N)cc1	863092700	GYNZYVNHZQELHY-KRWDZBQOSA-N	309.413	3.693	50	20	DHGD	
CN(C)c1cc(F)c(/C=C(\C#N)C(=O)C2CCCC2)cc1F	863188401	URMJEHLPQNPNON-NTUHNPAUSA-N	304.340	3.697	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1c(C)noc1C1CC1	885127397	RJKRAQXJWCKUII-UHFFFAOYSA-N	305.765	3.579	50	20	DHGD	
CCOc1cc(C=NNC(=O)[C@@H](C)CC)ccc1OCC(C)C	915974062	IQPKBIHLKZDDLL-AWEZNQCLSA-N	320.433	3.616	50	20	DHGD	
CCc1cccc2c(C=NNC(=O)c3ccccc3F)c[nH]c12	916292242	SLZZLHRDEOTEQO-UHFFFAOYSA-N	309.344	3.633	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)C(=O)NC1CCCCC1	921261969	MLZHJJWAQCYIIR-XYOKQWHBSA-N	306.768	3.835	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCCCCC(=O)C1	928337034	HWYPVPQRBVCVAS-GFCCVEGCSA-N	308.809	3.631	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cnn(C2CCCCC2)c1	1253428211	QOWGNMANLGMHPO-UHFFFAOYSA-N	318.808	3.799	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC[C@](O)(c2ccccc2)C1	1331658805	INAHOYIEGCTHNZ-QDDTUJKSSA-N	304.393	3.535	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1ccc(C(=O)O)cc1	1776098771	XSKNTYQXWACLSP-CQSZACIVSA-N	316.401	3.873	50	20	DHGD	
O=C(Cc1coc2cc3c(cc12)CCC3)NNc1ccc(F)cc1	45970443	GVYVTHFCPJGOQY-UHFFFAOYSA-N	324.355	3.746	50	20	DHGD	
CNC(=O)c1ccc(/C=C(/C#N)c2ccc3ccccc3n2)cc1	97491983	YUSOMAOODLLXRE-ATVHPVEESA-N	313.360	3.659	50	20	DHGD	
O=C(NNc1ccccc1)c1cc2c(OC(F)F)cccc2[nH]1	111551963	OVMZVCWAXOJBQA-UHFFFAOYSA-N	317.295	3.526	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)cn1	111998779	VUCOUWAFJYMRTH-WDZFZDKYSA-N	320.179	4.000	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1ccccc1F	161083595	PULAUYHUDQFIGI-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1C	178028780	IKIUMNFVJRCQTD-LFIBNONCSA-N	322.412	3.764	50	20	DHGD	
Cc1ncc(/C=C/C(=O)NNc2ccc(C(C)(C)C)cc2)s1	183182241	PDHFKJFEKABFQX-MDZDMXLPSA-N	315.442	3.906	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cncc(Br)c1	184756734	DLAPNGJDOULFKL-CGYDICSFSA-N	307.191	3.756	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1F)c1nnc2n1CCCCC2	187760627	LDKZPXZFOXKMDJ-XYOKQWHBSA-N	316.767	3.861	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)C)ccc1OC(F)F	193344222	JNEZUHBQXCDPRH-KPKJPENVSA-N	309.312	3.819	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)c1c[nH]c2cc(F)ccc12	255916796	NMYQWJSTVLAFTD-WZUFQYTHSA-N	324.286	3.942	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1	271104103	KXCPXWCGHZAFBI-KBPBESRZSA-N	321.207	3.779	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)CC(C)C)c(-c2cnn(C)c2)c1	282373622	ACEYVDKHRNKZRD-CXUHLZMHSA-N	307.397	3.918	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	727975408	XWMUSUVWLHMDMN-GHXNOFRVSA-N	310.319	3.707	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CCC[C@@H]2C)c1	729141296	ZUYSOPBNSGZBRP-AWEZNQCLSA-N	302.418	3.789	50	20	DHGD	
N#C/C(=C\c1occc1Br)C(=O)OC1CCCCC1	735304023	DBAQXNFBYBJKEW-CSKARUKUSA-N	324.174	3.825	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1	739689077	DMHGWDFHSQGJDI-QGZVFWFLSA-N	300.377	3.784	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1ncccc1C(F)(F)F	740096355	DFYGOZFOEQCCPP-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(N)cc1	741765831	KZAZEDDJVZOWIS-UHFFFAOYSA-N	316.792	3.776	50	20	DHGD	
C#C[C@@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	744181844	YMPUGISMWAUGBF-CLXYIWAZSA-N	312.413	3.623	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@@H](C)CC2)cc1	745152974	FQQVXHDZUKLHPS-OVGFGYAMSA-N	312.413	3.641	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(C)c1ccc(Oc2ccccc2)cc1	746510175	FUMVZEBFGPKQKH-CCEZHUSRSA-N	322.364	3.886	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OC3CCC3)cc2)c1	748380804	UFTYOUJIRYCRDN-UHFFFAOYSA-N	310.397	3.992	50	20	DHGD	
COc1cc(C=NNC(=O)CC2CCCC2)ccc1OC(C)C	749449567	HWMLRUWXWDWRAH-UHFFFAOYSA-N	318.417	3.513	50	20	DHGD	
Cc1cc(C=NNC(=O)CC2CCCC2)c(C)n1CC(C)C	749449812	MATPSQUJMIXKSA-UHFFFAOYSA-N	303.450	3.791	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCOc2ccncc21	750138451	RJLLYRVEUOJLJR-GFCCVEGCSA-N	324.471	3.521	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(C)cc1)OCO2	764891675	MVYHEKMJVIMLNI-VIZOYTHASA-N	321.332	3.522	50	20	DHGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)CC(C)C	766688888	ZNBJKNFKVJTYQN-UHFFFAOYSA-N	323.418	3.615	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)NNc1cccc([N+](=O)[O-])c1	769923440	NYGSXPBOZGZPKU-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1ccccc1F	773150950	PZBLLTXMJLKKON-WYMLVPIESA-N	317.323	3.801	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1C[C@H](C)C[C@@H](C)C1	779898046	ZYBHWCRFECNLAM-GHMZBOCLSA-N	307.346	3.581	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1cccc(C(=O)OC)c1	780795621	QHVWYEXVIGDBHE-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1cccc2c1CCCC2	780950028	ADPLUNGTLJFINZ-UHFFFAOYSA-N	310.397	3.639	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCCCS1	783589021	VZLJVVXCNOOFJN-JTQLQIEISA-N	305.230	3.722	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCCC2)C(=O)Nc1nccs1	792865648	GESICCIKLJNMEM-GDNBJRDFSA-N	309.394	3.568	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCF)c1cc(-c2ccccc2)on1	794889357	WERKGYRVULNFAA-GFCCVEGCSA-N	315.348	3.587	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C)cc1Cl	795623075	AOESVCVGIAFPCI-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
CO[C@@H]1CCC[C@H]1CNCc1ccc(OCCCCl)cc1	811486808	QMAYRRIHDFBKEU-DOTOQJQBSA-N	311.853	3.599	50	20	DHGD	
CCc1cc(C(=O)NNc2ccccc2C(F)(F)F)ccc1O	813402696	KLQVAQNNUQAAQQ-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(CN(C)C)cc1	814806970	ZELNJNRGWSPNOW-UHFFFAOYSA-N	324.428	3.602	50	20	DHGD	
O=C(NN=C1CCCc2occc21)Nc1ccc(Cl)cc1	815005104	HLEFDGHSQWPBLT-UHFFFAOYSA-N	303.749	3.795	50	20	DHGD	
CCn1ccnc1[C@H](C)NCc1ccc(OCCCCl)cc1	825005408	JVUHGQOXUOIOCR-AWEZNQCLSA-N	321.852	3.762	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849177960	APLXDUAKIZBGIX-JBXOJTMHSA-N	313.397	3.767	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@]2(C)C[C@H]2Br)cc1C	856810898	AMRJQXUJUQKXJK-OCCSQVGLSA-N	311.223	3.598	50	20	DHGD	
CC1(C(=O)NC[C@@]2(C)C[C@@H]2Br)CCCCCC1	857396014	WYUNXJYSAASZJC-SMDDNHRTSA-N	302.256	3.637	50	20	DHGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)C2CC2)cc1	920360086	LNXKVQWEKIXCEE-UHFFFAOYSA-N	314.429	3.866	50	20	DHGD	
CC(C)c1scnc1C(=O)OC[C@@]1(C)C[C@@H]1Br	1123039889	PDZUSWYYVGASGD-QPUJVOFHSA-N	318.236	3.597	50	20	DHGD	
CC(C)(C)[C@@H](Br)c1nnc(Cc2ccncc2)o1	1261432479	QHWDQAOSDDPGIB-NSHDSACASA-N	310.195	3.538	50	20	DHGD	
Cc1cccc2c(C(=O)NNc3ccc(C(C)(C)C)nn3)coc12	1328010213	ONUKUAAYGPCPKC-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
COCC[C@H](NC(=O)c1cccc(CCl)c1)c1ccco1	1338948484	KJZUQJRRPVECKE-AWEZNQCLSA-N	307.777	3.526	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	1340940724	UFJXBXYFFVJNTN-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc2c(s1)CCCC2	66326008	STTGDXRSZYIJIY-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
Cc1ccccc1NNC(=O)CCCc1c[nH]c2ccccc12	120311157	QRUIFKFIRPPSFB-UHFFFAOYSA-N	307.397	3.942	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccc(C(F)(F)F)cc1	128596514	GKEKBAASODLPCM-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3ccc(C)cc3)c(C)nc2c1	136100400	BEAPMNGNDABMPE-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2OC)cc1	172691666	ASJFPQJAIXINOC-LGMDPLHJSA-N	320.392	3.795	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2cccnc2Cl)c1	176258379	UPMUYLFGNWLYQW-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1c(C)[nH]c2ccccc12	184296524	XBIJPWQEMLBQRZ-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cccc(OCC(C)C)c1	184355070	SGGWERCSJBLDMA-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(F)cc2)cc1[N+](=O)[O-]	188972065	XZPDZNNLEGEAGT-UHFFFAOYSA-N	317.320	3.614	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3c(s2)CCCCCC3)CC1	271113873	MUJDNLGUPLEDLC-UHFFFAOYSA-N	300.427	3.703	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2occc2C)cc1Cl	490663997	MZVFIQXADIKACK-YRNVUSSQSA-N	316.744	3.796	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1C#N	491159425	IQSWHFJOSBCNIM-VUQQOUJSSA-N	315.376	3.651	50	20	DHGD	
Cc1cccc([C@H](C)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	588607669	HCQYGXXBLFXRNC-CLXYIWAZSA-N	320.392	3.528	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1c[nH]c2ccccc12)c1ccccc1	731933291	VSBSNUQCSTXFMF-MRXNPFEDSA-N	305.381	3.812	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cc2occc2s1	736010961	MWWOWNLITVYHSV-UHFFFAOYSA-N	319.294	3.630	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CCC[C@H]1Cc1ccccc1	739031417	FYMHZRAWLFNKBU-WMZOPIPTSA-N	309.413	3.724	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1nccc2ccccc12)C1CCCCC1	740765635	LEHDZCCLYMCUIE-SSZFMOIBSA-N	319.408	3.933	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1Cl	741473513	RKQPAJDSBBZCHR-KPKJPENVSA-N	324.771	3.993	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)C(C)C	754473535	KLNWDYHQFGKFOB-CQSZACIVSA-N	312.417	3.659	50	20	DHGD	
C=C[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	757013747	UZOWOXPTFGOSBO-JVVDOCDTSA-N	313.445	3.749	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccc(C)c(C)c2)c1	758386300	AOJSBQNDSSZVDP-ZDLGFXPLSA-N	321.376	3.962	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1(C)C	760132661	DYBADWHFOQDGDT-QQFZQELXSA-N	300.377	3.627	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(Br)c2)C[C@@H]1C	767380455	RBPHUSUUVSIPKI-QWRGUYRKSA-N	323.234	3.991	50	20	DHGD	
O=C(CCCOc1ccc2c(c1)CCCC2)NNc1ccccc1	767854750	LUGKONVJNDQMNK-UHFFFAOYSA-N	324.424	3.868	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cc(Cl)ccc1O	769570908	YHLNDGOREHYUCM-WDEREUQCSA-N	308.809	3.978	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2C)c(C(F)(F)F)o1	771430839	AZXSKWXRYPASHV-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
CC(C)(C)C1CCC(CC(=O)NNc2ncncc2Cl)CC1	781823672	MAHROHLTSJXHQH-UHFFFAOYSA-N	324.856	3.816	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccnc2Cl)c(Cl)c1C	783655082	CLXMOSSVRZGYGQ-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)c1ccc(F)cc1	785345702	RPLMJZGIKAIGIA-YYTPVVGHSA-N	323.323	3.547	50	20	DHGD	
C[C@H](CC1CCCCC1)NC(=O)/C(C#N)=C\c1ccc(O)cc1	787658718	OPCYDUANPBEHPU-MTOJCTJASA-N	312.413	3.774	50	20	DHGD	
COc1ccc(NNC(=O)CC(C)(C)C2CCCCC2)nc1	793887837	LJAAKBYWANLYRJ-UHFFFAOYSA-N	305.422	3.530	50	20	DHGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNC(=O)OC(C)(C)C)c1	794745183	UJDMMWGQOVNHIR-CYBMUJFWSA-N	320.433	3.545	50	20	DHGD	
C=C(CBr)COC(=O)C[C@@H](C)c1ccccc1F	795490037	YDXOVFSINYYIRD-LLVKDONJSA-N	315.182	3.814	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CSc1ccc(F)cc1	799757550	ZFCJHSPEFJZVSV-UHFFFAOYSA-N	318.417	3.932	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(-c2ccc(OC(F)F)cc2)c(C)s1	806553629	UNXUDZSWRZLKGF-WQLSENKSSA-N	321.352	3.933	50	20	DHGD	
CC(=O)c1cc(NC(=O)NNc2c(C)cccc2F)ccc1F	806580005	YFDIFKMTTGRLCW-UHFFFAOYSA-N	319.311	3.624	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1cc(OC)cc(OC)c1	807951034	DXGZVFMWZULRTD-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
Cc1sccc1C=NNC(=O)NCc1ccc(Cl)cc1	814847318	IYSUPHRMMIWZNY-UHFFFAOYSA-N	307.806	3.543	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2ccccc2Cl)cc1	814999674	JYYGDRDBIAZZQP-UHFFFAOYSA-N	317.776	3.894	50	20	DHGD	
C[C@@H](CBr)CN1C[C@H]2CCCCN2c2ccccc21	815228296	TUKHQVPXWVDCOC-UONOGXRCSA-N	323.278	3.897	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1cccc(Cl)n1	817007941	WOOSJGLISBQLOF-LBPRGKRZSA-N	321.833	3.749	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	827176448	UJEGGOLRSMGUEH-UHFFFAOYSA-N	323.396	3.883	50	20	DHGD	
C[C@H]1CC2(CCOCC2)CN1/C(=C/C#N)c1ccc(F)cc1	830603298	NRUHZMTZTMNRFO-LNZRHUEMSA-N	300.377	3.581	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCCC12CCCCC2	834956179	KZSLNCHSOFBPFI-UHFFFAOYSA-N	300.402	3.915	50	20	DHGD	
CSc1ccc2c(c1)C(=NNC(=O)CC(F)(F)F)CCC2	842524316	PAYHEOVEFHCPCD-UHFFFAOYSA-N	316.348	3.518	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNc1cc(Cl)nc(C)n1	843910556	WJSSWVRXFDQSDO-NSHDSACASA-N	310.829	3.654	50	20	DHGD	
Cc1nccn1CCN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	844350491	VUJIKGUSPLVNMC-INIZCTEOSA-N	323.557	3.678	50	20	DHGD	
CC[C@@](C)(OC)C(=O)NNc1ccccc1Oc1ccccc1	846462030	RITKRABZOVLGFM-GOSISDBHSA-N	314.385	3.737	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@@H]2C[C@H]3CC[C@H]2O3)C1	852524114	NSILJJREMCISTG-ZJIFWQFVSA-N	311.542	3.650	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccc(F)c(Cl)c1	863078569	HQCUTTSMLIVYLI-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1cc(C)cs1	863156509	CTOSWNRQQDKEPT-UHFFFAOYSA-N	310.419	3.587	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(C(=O)O)c1)C(=O)C1CCCCC1	863187199	BGMSCTGCMMOIFV-MDWZMJQESA-N	301.317	3.580	50	20	DHGD	
C[C@]1(CNC(=O)Nc2cscc2Cl)C[C@H]1Br	880975033	KXWJJVMEIVORBP-PSASIEDQSA-N	323.643	3.697	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cccc3c2CCCC3)c(C)n1	907094433	OHKKTYQPALTIQR-UHFFFAOYSA-N	309.413	3.643	50	20	DHGD	
CN(c1ccccc1)c1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1	915847951	FKQRVZMVQLVITE-SSZFMOIBSA-N	317.392	3.640	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCC(C)CC3)n[nH]2)cc1	915967220	JVRPQVHCQXEJNL-UHFFFAOYSA-N	310.401	3.681	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C(F)(F)c2ccc(F)cc2)c1	920865028	UHNMHSVIQCZVOB-UHFFFAOYSA-N	308.303	3.678	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)cc(C)c2)cc1	921259023	HIGNKGFRFFLXHB-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C(C)(C)C1CCOCC1	928337388	QDFVOOINCBPOLX-UHFFFAOYSA-N	310.825	3.544	50	20	DHGD	
O=C(NN=CCSCc1ccccc1)c1ccccc1Cl	1342916871	ZQXSAIUSOYFJFT-UHFFFAOYSA-N	318.829	3.989	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNc1ccc(C(=O)O)c(F)c1	1605265803	NGFUYPZBZZRYBE-LBPRGKRZSA-N	324.396	3.964	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609945753	AHOCZWPYFASMDJ-CMPLNLGQSA-N	324.808	3.698	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnn(CC)c2)cc1	111998316	XWNDLUXQYOWVTG-XGHPXPSOSA-N	322.412	3.962	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OC(F)(F)F)cc2)c1	127650147	OZIAJJXOIZAGIF-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)c1nc(C)cs1	129846261	RQLKWYHZSLHZDE-SDQBBNPISA-N	315.354	3.823	50	20	DHGD	
COc1ccc(CCC(=O)NNc2cc(C)ccc2C)cc1F	136126692	ZXKFAFBEGHLEFY-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
O=C(CSCc1cccc(Cl)c1)NNc1cccc(F)c1	154476783	OERZFOZNIVUKRJ-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Cc2ccc3ccccc3c2)c1	156828473	YMNLAUYXFQPBNN-UHFFFAOYSA-N	324.355	3.673	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(OCC2CC2)cc1	160984192	GYNSWKWKUNPHGD-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
Cc1cccc2c1[C@@H](C)/C(=C\c1cnn(CCCl)c1)C2=O	179452061	PMIZQEOLTNLLRA-AAWHYMEISA-N	300.789	3.814	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H](C)c1ccccc1	185790034	RIWHZPNFGMUHCP-HXPPYDANSA-N	320.392	3.608	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	271256451	HDDZHQFJCIORIB-JYRVWZFOSA-N	302.330	3.516	50	20	DHGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2ccc(Cl)cc2)CCO1	272918708	STDULSWUCVYYQV-WFASDCNBSA-N	310.825	3.624	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnc(C)nc1C(C)C	281712127	HVMGCWQTGKTSSH-UHFFFAOYSA-N	312.417	3.536	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc2c(O)nccc2c1	285750613	QGCRIZBPXMWYEN-LBPRGKRZSA-N	313.401	3.600	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)C(=O)Nc1nccs1	490844929	RHOAHGXIVVRNBZ-YUTSCENRSA-N	317.320	3.523	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccsc2Cl)c1	491104407	NYXDJMKUURBUGD-YRNVUSSQSA-N	318.785	3.956	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2c(Cl)cccc2Cl)c1	728785041	QZVUQCDCLPNXOY-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H]1CCc2ccc(F)cc21	730130584	GRQYAXXKNMUQJI-AWEZNQCLSA-N	319.767	3.793	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc2c(c1)CCO2)c1ccccc1	731931504	JFHKFUPCMBXYAC-SFHVURJKSA-N	322.408	3.656	50	20	DHGD	
O=C(NCCSc1ccc(Cl)cc1)NNc1ccccc1	734263703	OHTCWWQBXHBRDQ-UHFFFAOYSA-N	321.833	3.758	50	20	DHGD	
C=CC[C@@H](NC(=O)NNc1c(C)cc(C)cc1C)c1ccncc1	734678887	CRQRBXJPUNALSP-QGZVFWFLSA-N	324.428	3.950	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1C	741471347	XOXACTJYEOTNOO-NTEUORMPSA-N	304.353	3.648	50	20	DHGD	
C=CCOCCCC(=O)NN(Cc1ccccc1)c1ccccc1	742491306	SKLJGEBTNMVYAA-UHFFFAOYSA-N	324.424	3.707	50	20	DHGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)NC(C)C	745006442	WPZCGUSZWVRYIE-UHFFFAOYSA-N	315.339	3.722	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)c2cccc(Cl)c2)cc1	746886096	GJHBKLADHAYSJJ-NSHDSACASA-N	304.777	3.595	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2[C@H]3C=CC[C@H]2CC3)c1C	752437335	VRPZUHHCMPMBOV-JQTTXECVSA-N	323.440	3.741	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756781071	KTVBBMMRHIXUJK-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc3cccc(C)n23)cc1	764919723	GQTPFGDSWXOKDT-YBEGLDIGSA-N	301.349	3.741	50	20	DHGD	
O=C(NN=CC1CCC(C(F)(F)F)CC1)NC1CCCC1	767380097	PXFZEGTWBQEHLC-UHFFFAOYSA-N	305.344	3.583	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C(F)(F)F)cn2)C1	775249099	DSIFQGWGHWOISZ-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1ccc(OC(F)F)cc1	776260111	XFMIYGUXAXXRIM-DHDCSXOGSA-N	324.286	3.950	50	20	DHGD	
C[C@H](Cc1cccs1)NC(=O)[C@H](Br)C(C)(C)C	781090172	YOSWDVOAGHIPRE-KOLCDFICSA-N	318.280	3.605	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2c(C)cccc2C)c1	786050264	LVPNYSQSXZQCDE-WQRHYEAKSA-N	304.393	3.835	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccc(-c2ccco2)cc1F	786490596	ZZKLLJLLHZUPFT-UHFFFAOYSA-N	312.304	3.629	50	20	DHGD	
CCc1ccc(C(=O)NNc2nc3ccccc3cc2C)c(O)c1	787247446	TXTRZRZFMLYREU-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)cn1	788330237	FOZGIYPOJRMRKP-AUWJEWJLSA-N	305.362	3.988	50	20	DHGD	
COc1ccc2nc(/C=C(\C#N)C(=O)C3CCCC3)sc2c1	788689369	NOLYIFWFNMOPMZ-XYOKQWHBSA-N	312.394	3.971	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1cccc(F)c1F	799756418	ANVIVIMWGAEVNP-UHFFFAOYSA-N	318.367	3.912	50	20	DHGD	
CC1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCCCCC1	802017407	KSWIPYLQPNFETQ-UHFFFAOYSA-N	323.824	3.853	50	20	DHGD	
COCCCn1nccc1/C=C(/C#N)c1ccc2ccccc2n1	802703878	FSIMXSFZHHNZFS-SSZFMOIBSA-N	318.380	3.532	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2nc[nH]c12	812770136	IJVZNJXTFNUFPS-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1sc(-c2ccccc2)nc1C	814744308	HZFNTBUYWGBGPW-UHFFFAOYSA-N	301.415	3.615	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)CSc1ccccc1O	814970968	LCAYEHQNUDHWQT-STQMWFEESA-N	320.458	3.803	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)Nc1cc(F)cc(F)c1	815007488	UAVDQBXYJMFJPP-UHFFFAOYSA-N	317.286	3.898	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3cccc(Cl)n3)csc2C1	817005729	GCEGXNUYNQGMEF-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1cccc(Cl)n1	817008723	FMOBAKZGOBWMFZ-NSHDSACASA-N	321.833	3.500	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3ccc(F)cc3F)CCC2)cc1	819410145	FXZAMEBOXPUHEU-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1ccc(Cl)cc1Cl	828525650	WZBYFQRLUOVZKZ-XCBNKYQSSA-N	320.245	3.514	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@@H]2OCCc3ccccc32)cc1	837053509	DZUJXGAAKDRMTN-IBGZPJMESA-N	324.424	3.957	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C[C@@H](C#N)CCC#N)C1	844335044	IQNPAOSSEWQHCJ-HZPDHXFCSA-N	321.541	3.916	50	20	DHGD	
CCO[C@H](CC)C(=O)NNc1ccccc1Oc1ccccc1	846462246	JLCOIFKXRBOYSJ-MRXNPFEDSA-N	314.385	3.737	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849179824	XEXSVSQMCAWGMJ-IUYQLWOBSA-N	323.348	3.546	50	20	DHGD	
C/C=C(/C=C\C(=O)NNC(=S)Nc1cccc(C)c1C)CC	854185992	DEKCKIRVOUQOER-VKVAAMHVSA-N	317.458	3.534	50	20	DHGD	
C[C@]1(CNC2CC(c3ccc(F)cc3)C2)C[C@H]1Br	857064908	GCUUFRUFJADXLL-UZVIJOLCSA-N	312.226	3.835	50	20	DHGD	
C[C@H](NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2)C(F)(F)F	862306252	HOBWVWLZRVXMKH-MNPCEMDUSA-N	318.383	3.555	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCONC(=N)CCC(F)(F)F	863490572	CRFXLUBNBMIGDC-UHFFFAOYSA-N	314.424	3.849	50	20	DHGD	
Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)c(C)[nH]1	914751977	SGCSYZGKLYQUQL-UHFFFAOYSA-N	319.408	3.983	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCCC[C@@H]2C)c1C	916337087	YOBZSTZKBRYNRR-DZGCQCFKSA-N	302.418	3.753	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)C(=O)C(C)(C)C)c1	918713462	LKNAZOZIQLKGAA-MDWZMJQESA-N	309.369	3.607	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccc(C(C)C)cc2)c1	921193928	XTLLACXSWJAPQB-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1323203891	UHWPJDXMWKLLLR-UHFFFAOYSA-N	306.454	3.824	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCc2ccc3c(c2)CCO3)cc1	1331349065	ZPMHCLXUWULHOI-UHFFFAOYSA-N	324.424	3.821	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1	1332889488	SBIYRRUBEVUXOL-XNTDXEJSSA-N	317.348	3.722	50	20	DHGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNc1c(C)cccc1F)C2	1342842650	MNNQDGQZPUFMDK-OAHLLOKOSA-N	316.401	3.603	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCc2ccccc2)c1C	1530028712	BNFLMSCDFFGCSY-XDHOZWIPSA-N	321.424	3.738	50	20	DHGD	
C[C@@H](C(=O)O)c1cccc(NC(=O)c2cccc(CCl)c2)c1	1603218465	SOBWCRXKDCJFCL-LLVKDONJSA-N	317.772	3.866	50	20	DHGD	
O=C(Cc1ccccc1Cl)NNc1ccnc2ccccc12	106925354	WATMOPYBDHFXDL-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
O=C(CCC(=O)c1ccccc1)NNc1cccc2c1CCCC2	120011555	NOBSBQXOHKWWJZ-UHFFFAOYSA-N	322.408	3.672	50	20	DHGD	
CCSc1ccc(C(=O)NNc2ccc(Cl)cc2)cn1	120140509	VUZSCAHANHSDJL-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1C[C@H]1c1cccc(Cl)c1	128646085	WXSYDHIOZNZKED-RYUDHWBXSA-N	322.195	3.635	50	20	DHGD	
Cc1ccccc1[C@@H](NS(=O)(=O)CCCCCl)C(C)C	154186195	HPBVRCAQLBPLPP-HNNXBMFYSA-N	317.882	3.631	50	20	DHGD	
Cc1cc(C)c(/C=C/C(=O)NNc2ccc(C#N)cc2)cc1C	155583468	MQBLRLFVCVDYJV-RMKNXTFCSA-N	305.381	3.640	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1cc(-c2ccccc2)on1	179879488	XGVDMFGXMNUSLB-UHFFFAOYSA-N	312.304	3.629	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	182991804	WVKAEWOTDVSMFX-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
Cc1ccnc(NC(=O)NNc2ccccc2C(F)(F)F)c1	184176202	MXAJQDNZQLNCFW-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1ccc(F)cc1	255323933	GOVCDNAAFVVLJA-YHYXMXQVSA-N	320.245	3.789	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2cccc3c2CCCC3)C1	281163227	KSNPUBHZVCROJY-HOCLYGCPSA-N	316.445	3.604	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(C)C)c1C	301199250	QZJRGKHXDFYIQV-BOPFTXTBSA-N	301.434	3.584	50	20	DHGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	728399521	LLXXFZXMWPVKRX-SWLSCSKDSA-N	320.393	3.580	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)c1ccc(O)c(Cl)c1	734096636	UQIIJYBZYBRRGB-UHFFFAOYSA-N	322.817	3.846	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c(OC)c1	735619358	LDPSIPNTYDDRKV-NTEUORMPSA-N	319.364	3.953	50	20	DHGD	
O=C(NN=Cc1c(F)cccc1F)c1cccc2ccccc12	741463031	UYACUFJCAVHQEP-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@H]2CCC[C@@H](C)C2)c(C)c1	743764368	OFACRZWFDQXOSF-WBMJQRKESA-N	304.434	3.650	50	20	DHGD	
CCC[C@H](CC)NC(=O)NNc1ccccc1C(F)(F)F	744886660	FECBOGGDDZFFLC-JTQLQIEISA-N	303.328	3.910	50	20	DHGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNc1ccc(F)cc1	747592191	JSULVUPHEQVBMA-CHWSQXEVSA-N	301.365	3.644	50	20	DHGD	
O=C(NN=Cc1cc(F)ccc1F)c1ccc(Cl)cc1F	747644077	YHJNCLLVCIAWNE-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@@H](C)C[C@H](C)C2)o1	747754213	RGCUKJJXLWULIQ-KBPBESRZSA-N	319.449	3.663	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)cn1	764883648	AZIKJWZXHZDQCY-RIYZIHGNSA-N	314.291	3.781	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cccc(-c2cccnc2)c1	768481576	CABCFYUUUUIRIK-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
CC(C)Oc1cccc(CN(C)C[C@@H](C)CBr)c1	770666001	SWWISUOBIQTFKX-ZDUSSCGKSA-N	314.267	3.937	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1c(C)cccc1F	771707181	KDCWUMLOPCUEQW-UKRRQHHQSA-N	308.397	3.563	50	20	DHGD	
C#C[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	772976789	RPENDXGKZQDGHR-CRRKTRLDSA-N	323.440	3.655	50	20	DHGD	
CC1=CCC[C@@H](C)[C@@H]1C=NNC(=O)c1cccc2ncccc12	773208906	SQSAQZROMXFJBC-RHSMWYFYSA-N	307.397	3.943	50	20	DHGD	
CN(NC(=O)Nc1ccc(Br)cc1)c1ccccc1	775377996	QUVNDLZAARFTHA-UHFFFAOYSA-N	320.190	3.622	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1cccc(C(F)F)c1	790706834	DSMCVAFONJEEEH-SECBINFHSA-N	321.161	3.741	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	794881847	DTEFKAMLAZHJJU-JGWKKKPCSA-N	323.314	3.917	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc([N+](=O)[O-])cc1	799412826	LGQWJWWORLTYRD-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCC(C(F)F)CC2)cc1C	799469163	XBBCAQWTELEBJT-UHFFFAOYSA-N	324.371	3.610	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H](O)CC[C@H](C)CC	799759643	VCZKZLMRNKOTMQ-CJNGLKHVSA-N	306.450	3.578	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2C)CC1	805374189	LCYUIPGYHPQMII-JOCQHMNTSA-N	305.378	3.563	50	20	DHGD	
C[C@@H]1CC(NCc2ccc(OCCCCl)cc2)C[C@@H](C)O1	811486323	LQIIKJOGSNIXQQ-ZIAGYGMSSA-N	311.853	3.740	50	20	DHGD	
CCOCC(C)(C)CNC(=O)NNc1c(C)cccc1C(C)C	813169589	WATJPMADKOXLCW-UHFFFAOYSA-N	321.465	3.807	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cc(N)ccc1F	814810914	ZEIZVZGZAAMEPC-UHFFFAOYSA-N	321.355	3.715	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cccc(C(F)(F)F)n2)cc1	837052435	ABWVHBOYODHBTC-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
C[C@@]1(CNCc2ccc3ccccc3c2O)C[C@H]1Br	857063600	NUKIIHSWDPDBBG-ZBFHGGJFSA-N	320.230	3.809	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccc3occc3c2)C[C@H]1Br	861543978	HOUXRUWTTBDKOJ-TZMCWYRMSA-N	323.190	3.728	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081530	NDFOXEKYRBXBSF-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
Cc1cc(NNC(=O)Nc2ccnn2C(C)C)ccc1Cl	902921936	FSLFAXSNYPQIJX-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)COc1ccccc1F	916300474	HKUCJKFYVOMCKC-UHFFFAOYSA-N	308.397	3.769	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)Cc2cccc(F)c2)ccc1[N+](=O)[O-]	921001403	VTPRMERSXAKMNF-GFCCVEGCSA-N	317.316	3.827	50	20	DHGD	
Cc1cc([C@@H](C)NC[C@H](CBr)C2CC2)c(C)o1	1118815275	GOVYWUCIGVWRCD-MFKMUULPSA-N	300.240	3.968	50	20	DHGD	
CC(C)CC1(C(=O)NNC(=O)c2ccccc2Cl)CCCC1	1319536346	JVNOQKNERUTFSP-UHFFFAOYSA-N	322.836	3.708	50	20	DHGD	
CC[C@@H](C)n1nccc1C(=O)NNc1c(C)cccc1Cl	1347663413	VZRWZABESFPOOF-LLVKDONJSA-N	306.797	3.573	50	20	DHGD	
N#CC(C#N)=CNc1ccc(Cl)cc1OCC(F)(F)F	71079963	LPYBCVIHEGHHEB-UHFFFAOYSA-N	301.655	3.624	50	20	DHGD	
Cc1cc(C)nc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	128883702	KUZZQVFEXIKCFD-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc(OC)c1O	154276026	FCYIZRVKPOSVLD-NVNXTCNLSA-N	323.348	3.508	50	20	DHGD	
Cc1cc2occ(CC(=O)NNc3cccc(F)c3)c2cc1C	154980719	KKNUPQUFQQSUHB-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1coc2ccccc12	155865151	SVKNFGBGIFUMLS-UHFFFAOYSA-N	321.258	3.604	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C/c1ccc(Cl)cc1	160893182	OGDBOXIBBMRHAG-RUDMXATFSA-N	304.752	3.944	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)C(C)C	163831402	WWDSBMAACSSOHX-CYBMUJFWSA-N	300.349	3.803	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)c1ccccc1	178842029	JWTWSORZBPFHQJ-CYBMUJFWSA-N	313.357	3.622	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cn1	191208194	AQHMUEITKGFUGE-MHWRWJLKSA-N	322.368	3.899	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(N3CCCCCC3)nc2)cc1	192946379	IXIWCJDLJWGHKY-UHFFFAOYSA-N	324.428	3.527	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccccc2C)c2ccccc2n1	245264569	DAWIAOFJPDOVOI-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCCc3ccccc32)c(C)c1	257352487	LQCXACXLUMMENR-UHFFFAOYSA-N	321.424	3.572	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@H]1CCCc2sccc21	274341238	IHPYHLFHLJRBTL-NSHDSACASA-N	322.821	3.500	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(CN3CCCC3)cc2)c1	298097236	SVRDFFWILNZRBJ-UHFFFAOYSA-N	323.440	3.656	50	20	DHGD	
N#C/C(=C/c1ccnc(Cl)c1Cl)C(=O)Nc1ccccc1	490906876	FLZFSVSJTBEERQ-FLIBITNWSA-N	318.163	3.934	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)/C=C\c1cnc(C(C)(C)C)s1	493205774	WIGJTBAXHKQGGU-WAYWQWQTSA-N	321.273	3.716	50	20	DHGD	
CCCN(N=C1CCO[C@@H](C(F)(F)F)C1)C(=O)OC(C)(C)C	495595458	PFDXLZXOQKPCLD-LLVKDONJSA-N	324.343	3.731	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1cc(F)ccc1F)c1ccccc1	731932964	SYTGVFJKLJDENF-OAHLLOKOSA-N	316.351	3.999	50	20	DHGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)c1sccc1C	733745704	RLSWNBKMRJYCFO-UHFFFAOYSA-N	322.817	3.629	50	20	DHGD	
O=C(NCCc1csc2ccccc12)NNc1ccccc1	734269834	OFCLQCIQFXXOFD-UHFFFAOYSA-N	311.410	3.770	50	20	DHGD	
CS[C@H]1CCC[C@H](NC(=O)NNc2c(C)cc(C)cc2C)C1	735385343	YEAZVDQGGQCXBP-GJZGRUSLSA-N	321.490	3.912	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccccn1	741765519	FVPHOFSJQMNMNM-UHFFFAOYSA-N	302.765	3.589	50	20	DHGD	
CC(CCC(C)C)=NNC(=O)c1cccc(Br)c1	741768201	UUHVCRLHIZGMFT-UHFFFAOYSA-N	311.223	3.991	50	20	DHGD	
CC(C)NC(=O)NN=Cc1ccc(-c2ccccc2F)s1	745009387	NSJVDFQEIVPRIH-UHFFFAOYSA-N	305.378	3.596	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1c(C)cc(C)cc1C	748483673	AJZOVNVFGLTWPE-UHFFFAOYSA-N	306.450	3.776	50	20	DHGD	
CC(=O)c1cccc(NC(=O)NNc2c(C)cc(C)cc2C)c1	748822521	QNHRWJYYFRRCTG-UHFFFAOYSA-N	311.385	3.963	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)cc1	756765791	HFSNLRPWPAMYPX-RBSFLKMASA-N	302.418	3.745	50	20	DHGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(\C#N)c1ccncn1	758911488	JEHRUMLMZXYEJU-UKTHLTGXSA-N	321.771	3.688	50	20	DHGD	
C[C@@H](Cc1ccsc1)NC(=O)[C@@H](Br)C(C)(C)C	767318753	FSEONKXAXFBDQD-GXSJLCMTSA-N	318.280	3.605	50	20	DHGD	
CCc1ccccc1CCOC(=O)/C(C#N)=C/c1ccc(O)cc1	768753190	DDAUQJVNKJBEGF-QGOAFFKASA-N	321.376	3.647	50	20	DHGD	
C[C@H](CBr)CN1CCc2c(Cl)cccc2C1	770655393	XVCILIPXHGWOOS-SNVBAGLBSA-N	302.643	3.729	50	20	DHGD	
CO[C@@H](C(C)=NNC(=O)c1c[nH]c2ccccc12)c1ccccc1	782118255	AXGALQXIOLUPFO-SFHVURJKSA-N	321.380	3.661	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3ccccc3o2)cc(Cl)n1	788716087	LDVDUXFUDFKXEP-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
COc1cc(NNC(=O)c2ccc3cc[nH]c3c2)ccc1Cl	790178856	CVMDVSDUCQJIQQ-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
Cc1nc(Cl)ccc1NC(=O)[C@@H](Br)C(C)(C)C	790238836	OYPOGOKSVOAVKZ-SNVBAGLBSA-N	319.630	3.792	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)n[nH]1	791730533	AGDCSHNHMHJMKY-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
CC(C)(CC(=O)NNc1nccnc1Cl)C1CCCCC1	795104268	SMHVBRXTCKLHHN-UHFFFAOYSA-N	310.829	3.570	50	20	DHGD	
CCOC(=O)NN=C(C)CC(C)(C)c1c[nH]c2ccccc12	799465994	VJLZTVBTSYEWCK-UHFFFAOYSA-N	301.390	3.958	50	20	DHGD	
O=C(NNc1ccccc1F)c1nc(-c2ccccc2)cs1	801176701	PNAZKEJBAGYKKS-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CSSCCNC(=O)c1ccc(C(F)(F)F)s1	803246946	ZYGUONLWMKLMNP-UHFFFAOYSA-N	301.380	3.508	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H]1CCCC[C@@H]1C	805385958	BPLCXZGXBDIMNB-AAEUAGOBSA-N	305.378	3.563	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)C(C)(C)c1ccccc1	806720884	GVDCSOJQELFMRR-GFCCVEGCSA-N	312.504	3.663	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1ccc(C2CCC2)cc1	814842654	NIMIJPMPAOPPES-UHFFFAOYSA-N	310.372	3.786	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccccc2)C[C@@](C)(C(F)(F)F)O1	815148385	VCIJYDWPFPLFBK-IDJPSDCMSA-N	324.346	3.983	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3c(c2)CCCC3)cc1	817915382	KOLWIPZALVDPGJ-UHFFFAOYSA-N	310.397	3.721	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	830852163	REULCTLGKWCYKH-NSHDSACASA-N	311.357	3.639	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc2cc(Cl)cnc2o1	834438112	HGXRXTXGTHQOLQ-NTUHNPAUSA-N	324.789	3.561	50	20	DHGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	837008372	NJKLQKOMBPQEQH-KYOSRNDESA-N	317.520	3.630	50	20	DHGD	
CO[C@@](C)(C1CC1)[C@@H](C)NC(=O)NNc1ccc(C(C)C)cc1	840424538	PYDYJZAWHZRERS-FZKQIMNGSA-N	319.449	3.640	50	20	DHGD	
CC[C@H](C)OCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379486	WGNBSEOOBZHPLF-QMMMGPOBSA-N	324.730	3.617	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2ccc(F)cc2s1	848080129	DZRCFTGWFMRUGX-UHFFFAOYSA-N	306.189	3.916	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc3ccccc3n2)[C@H]2CCC[C@H]21	853254347	SBKFLFQSNOHWQY-UONOGXRCSA-N	307.397	3.777	50	20	DHGD	
Cc1ccc(NNC(=O)c2sc(CC(C)C)nc2C)cc1F	856229746	VPYOAQQNOVIIPR-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1cc(Cl)ccc1O	857082928	RYCKRCSVYFBLDF-HJIKLVIJSA-N	318.642	3.870	50	20	DHGD	
CCCC[C@H](C(=O)NNc1cccc(C(=O)OC)c1F)C(C)C	857282690	YNRWRDPNQBQSNG-LBPRGKRZSA-N	324.396	3.518	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(C)(C)C)c1C	915169552	YDTKNCCLLSKTOE-ATVHPVEESA-N	315.461	3.974	50	20	DHGD	
O=C(COC1CCCC1)NN=C(c1ccccc1)c1ccccc1	916029730	HDCHQJRBLJLVOP-UHFFFAOYSA-N	322.408	3.514	50	20	DHGD	
Cc1ccc([C@H](NC(=O)NNc2ccc(F)cc2)C2CC2)cc1	916234996	WIXCBSUADLWEHW-KRWDZBQOSA-N	313.376	3.912	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc(F)ccc2F)cc1	918883002	WQMLSVBYQFWXMC-ZSOIEALJSA-N	313.303	3.924	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1(C)C	928336924	DUYWMSCYVMZDRC-DGCLKSJQSA-N	322.836	3.733	50	20	DHGD	
Cc1csc([C@H](C)NC[C@H](CBr)C2CC2)n1	1329791920	FZPCNHJGCVCOQS-ONGXEEELSA-N	303.269	3.523	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccco1	8200479	CHHRZHAQNAQGGO-UXBLZVDNSA-N	302.673	3.631	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(C2CC2)nc2ccccc12	78326538	HLCFJAZJPZHBAS-UHFFFAOYSA-N	303.365	3.869	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1)C1CCCCC1	112224550	NPXMWZZSYMWSSP-GHXNOFRVSA-N	322.330	3.802	50	20	DHGD	
O=C(NNc1ccc(Br)cc1Cl)C1CC=CC1	129378012	YZAUIZZGPYOCQH-UHFFFAOYSA-N	315.598	3.512	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C(C)(C)Cc2ccccc2)c1	130840195	IIRNNIGTTQWXKR-UHFFFAOYSA-N	316.376	3.546	50	20	DHGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1ccc(Cl)cc1	152687643	PJGPOUSMNJUXIU-VIFPVBQESA-N	307.781	3.582	50	20	DHGD	
C[C@H](CBr)CNC(C)(C)c1ccc(F)c(F)c1	152795033	NJMJUXUZDWQKPY-SECBINFHSA-N	306.194	3.821	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccccc2Br)c1	153413370	MPADLPKUJOATJS-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1c(Br)cccc1C(=O)NNc1ccc(F)cc1	173281570	UJKJEHDLKKMUKH-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	178765145	FEMNIGRJKMQTTM-XFFZJAGNSA-N	314.282	3.668	50	20	DHGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)Nc1ccccc1	195288213	NLLSXNAJUDFLPP-UKTHLTGXSA-N	314.291	3.834	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1	271104109	KXCPXWCGHZAFBI-ZIAGYGMSSA-N	321.207	3.779	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3c(s2)CCC3)cc1Cl	272854145	IAZQMKAFPKZVIB-UHFFFAOYSA-N	322.817	3.656	50	20	DHGD	
CC(C)(C)Sc1ccc(NC(=O)NNC(=O)CC2CC2)cc1	273384858	JDDUEGWKMCYQDB-UHFFFAOYSA-N	321.446	3.530	50	20	DHGD	
CCC(=NNC(=O)Cc1nc(C)cs1)c1ccc(Cl)cc1	725856520	REYHKBCDEUOFQD-UHFFFAOYSA-N	321.833	3.578	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)c2cccc(C)c2)cc1	727106553	GSRTVYJYVNTDIZ-LGMDPLHJSA-N	320.392	3.964	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@H]2C)c1C	729661590	JVKSGAUSMVJGET-GOYIASJBSA-N	313.445	3.727	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2cccc3ncccc23)o1	730146317	PVKPPHLDBSNYPJ-MLGOLLRUSA-N	319.364	3.715	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2cccc3ncccc23)cc1	730146332	QYJBRMGGCOUHGI-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
Cc1ncccc1C(=O)NN(c1ccccc1)c1ccccc1	730955436	LZKQKFLPZUDZDT-UHFFFAOYSA-N	303.365	3.873	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732976566	RYYUQTGRAQDINX-JTQLQIEISA-N	322.796	3.659	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(Cl)cc2O)c(C)c1	743763910	XVCWYSMRNGLDGY-UHFFFAOYSA-N	304.777	3.728	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)c(C)c1	747645966	IITGXPSMGAGDPG-UHFFFAOYSA-N	304.752	3.860	50	20	DHGD	
Cc1c(NNC(=O)C2CCC(C)(C)CC2)cccc1[N+](=O)[O-]	748682658	JGLHYARDWYOAED-UHFFFAOYSA-N	305.378	3.563	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	750934758	POIFBGWQGUSDRN-UHFFFAOYSA-N	310.401	3.847	50	20	DHGD	
CN(N=Cc1cccn1Cc1cccs1)C(=O)OC(C)(C)C	755660594	DGLRYDZHZDNUPK-UHFFFAOYSA-N	319.430	3.799	50	20	DHGD	
COc1ccc(CCC(=O)NN=CC[C@H](C)c2ccccc2)cc1	755660913	HCCIQNISPAPWPI-INIZCTEOSA-N	324.424	3.924	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@@H]1C[C@@H]1c1ccccc1	755697476	JIZQAGGHUNDYAR-RBUKOAKNSA-N	306.409	3.915	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)CCC2CC2)cc1	769644208	GDDQKLIZSHAPRW-MTOJCTJASA-N	312.413	3.687	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccccc1-c1cccs1	770333269	DABRXVJCXTXNKS-UHFFFAOYSA-N	310.382	3.959	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2ccc(C)cc2C)cc1	770996236	MXFBWTRTPWHMHD-WQRHYEAKSA-N	321.376	3.962	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CSc2ccccc21	771328658	WMJMUTKDZBHIMD-CYBMUJFWSA-N	317.389	3.607	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1SCC#N	771702412	XZNSYLUCOXWPRA-UHFFFAOYSA-N	315.373	3.507	50	20	DHGD	
C[C@H]1NC(=O)N(c2cccc(S(F)(F)(F)(F)F)c2)C1=O	771858772	GXOXIUJVXCMGFH-ZCFIWIBFSA-N	316.251	3.789	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cc(F)cc(C(F)(F)F)c1	772843634	XLMDPDXCBLLJEQ-UHFFFAOYSA-N	316.298	3.875	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Br)c1OC	773914742	HWPGRSRXIUFEJU-MJWAUXSNSA-N	322.202	3.980	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cc(Cl)ccn2)c(C)c1	778446840	GYZDNODTXRAYKI-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCC#Cc2ccccc2)cc1	780816716	HKRKXKTWUWDACJ-UHFFFAOYSA-N	321.424	3.662	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)[C@@H]1C	781116759	IJCZDUAOZYNNFM-QWHCGFSZSA-N	310.401	3.619	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)c1C	786106554	NTJYHQONJUIEEB-ODLFYWEKSA-N	321.424	3.657	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1cccnc1Cl	792372085	UBVHCTCFQRXZIA-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1cccc(F)n1	792375586	INRVUCSDTPFQBH-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1ccccc1C(=O)NN=C/C=C/c1ccc(F)c(F)c1	794877733	AZSFHDCVJUNETE-YFICEVNTSA-N	300.308	3.702	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(C(F)F)c1	795496777	LMLPXAFDXSFUNK-UHFFFAOYSA-N	305.118	3.732	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	800332836	FYKZUHWNWQPKBH-LLVKDONJSA-N	311.813	3.627	50	20	DHGD	
C[C@H]1CCCN(c2ccc(CNC=C(C#N)C#N)cc2Cl)C1	800721544	OIKSCQSRRALQAV-ZDUSSCGKSA-N	314.820	3.597	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(C)cc1-c1ccnn1C	801648432	YYLWFUXMZMBGAV-FOWTUZBSSA-N	323.396	3.646	50	20	DHGD	
N#Cc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)ccc1F	803189390	HTTXSVHPUVJKNB-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC1(C)CC[C@@H]1NC(=O)NNc1ccccc1C(F)(F)F	807574817	JBDGBOVOXNLQIW-NSHDSACASA-N	301.312	3.520	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc2cccnc12	812243822	APMULKDWQNPUMC-DHDCSXOGSA-N	316.320	3.911	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1cccc(Br)c1	814857117	GQWIGHFGIARITN-ZDUSSCGKSA-N	321.218	3.745	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3ccc(F)cc3C)c2c1	815853807	AYHRHJXHYPPFIC-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1cccc(Cl)n1	817007726	NHXSVJSZEIUMJH-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)CC[C@H]1C	826800421	UWPAHWDOSWYDNQ-HRDYMLBCSA-N	321.368	3.677	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(C(C)C)nc2O)ccc1Cl	830097817	SBYSYRWRHYQDHR-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C)cc2Cl)C1	836936084	YEQPMQBXYRHSPZ-QWHCGFSZSA-N	310.825	3.687	50	20	DHGD	
O=C(CCCCCc1ccc(F)cc1)NCC(Cl)Cl	837644666	BRYTZROHMAVAIS-UHFFFAOYSA-N	306.208	3.849	50	20	DHGD	
CC1=C(C(=O)NNc2cccc(Cl)c2Cl)CCCO1	838350818	ZXEJWIBUGHZKNR-UHFFFAOYSA-N	301.173	3.521	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)OCC(F)(F)F)c2ccccc21	853430155	XZPRMEWDGKZRCE-SECBINFHSA-N	300.280	3.577	50	20	DHGD	
Cc1nocc1C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891548777	DTZZUKYJJVBLKA-CYBMUJFWSA-N	324.497	3.609	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccc(C)s2)c2ccccc2n1	915922487	QXUDBMXHTJCXOA-UHFFFAOYSA-N	309.394	3.677	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(N(C)C)cc1	916278610	XWXWAHMIBJXHMK-UHFFFAOYSA-N	315.804	3.560	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccccc1C(F)(F)F	916352015	SUPYFFACMQFJBT-UHFFFAOYSA-N	324.277	3.537	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(Br)cc2)s1	1084458493	CJWWCBKCOOXNOP-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
CN(CC1=CCSC1)C(=O)CCCC[C@H]1CCSS1	1118737271	AQBXDGFQFCBGJX-ZDUSSCGKSA-N	317.545	3.832	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)ncc1C	1119964937	UBDWIQPOOMEQOO-UHFFFAOYSA-N	303.793	3.671	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1	1322546216	DNZBSUVNETXRCE-ZROIWOOFSA-N	311.362	3.633	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1Cc2ccc(O)cc2C2(CC2)C1	1326022497	DJCYBWMNXGDTGG-UWVJOHFNSA-N	302.377	3.804	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1	6956563	UZMJXTVUWHRXQI-LFIBNONCSA-N	306.365	3.803	50	20	DHGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1cccc2ccccc12	17428383	SLECXTABJPKQOK-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-]	28699991	PVUXRLAHAIEDGU-NTEUORMPSA-N	318.336	3.854	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)c(OC)c1	125452763	IQGQVQQODCFPQG-QPEQYQDCSA-N	300.383	3.841	50	20	DHGD	
CS[C@H]1CCCCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	134563356	UYKXJFRMINEMOQ-WNLSXJKCSA-N	317.414	3.677	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccccc2)C1	177082080	VLRYGOSGVYHFHD-KCBNLNMNSA-N	319.364	3.949	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)s1	177890489	XUZVCNMKCLMFRS-CSKARUKUSA-N	318.785	3.956	50	20	DHGD	
CC[C@@]1(C)CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	188695416	LHGPOYRNOUBAPR-HIFRSBDPSA-N	317.520	3.728	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1OC	191359992	LJDQKMNVRSXFLE-NTEUORMPSA-N	317.348	3.711	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(C)ccc2C)cc1	213719273	CBNWZCUHUMWOMZ-BOPFTXTBSA-N	321.376	3.962	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	255226637	VVPCIZLGHQJZGX-YHYXMXQVSA-N	319.723	3.630	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccccc1SC(C)C	276807672	ZJNHFBBUWZZIQH-UHFFFAOYSA-N	301.415	3.647	50	20	DHGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(\C#N)C(=O)C(C)(C)F	295803175	FBLXUZQCVBXQMA-GXDHUFHOSA-N	311.360	3.713	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NNc2ccc(C)cc2)cc1	298430059	IZSUUFKMVFQZJI-UHFFFAOYSA-N	311.429	3.594	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1	491012446	RIHMEMFQCNKKIP-KZNDFDMYSA-N	318.804	3.536	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(C#N)c(Cl)c1)c1ccccc1	588432350	UDLGSICFPLINEN-XFXZXTDPSA-N	311.772	3.758	50	20	DHGD	
CC[C@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)C(C)C	729321710	MDSYKUHEZAFDHJ-CQSZACIVSA-N	312.413	3.673	50	20	DHGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCC[C@@H](C2CC2)C1	737426823	DSGJMBTWMILONR-NVXWUHKLSA-N	319.493	3.571	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNC(=O)c2cccc3ccccc23)C1	741582439	XWDRBPVOHPPFFO-GJZGRUSLSA-N	324.424	3.817	50	20	DHGD	
CCCCCc1ccc(NC(=O)NNC(=O)[C@H](C)CC)cc1	755469501	WRQGIAZJBVMIGM-CYBMUJFWSA-N	305.422	3.618	50	20	DHGD	
CC(CC1CC1)=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	756824712	WKKVVWUTYOQIMK-AWEZNQCLSA-N	310.397	3.899	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)OC1CCCCC1	760210231	KSODQAMVNZTGFU-VBKFSLOCSA-N	321.380	3.655	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1Cl	761384945	JNQOKLAKZIVBLI-XYOKQWHBSA-N	319.767	3.564	50	20	DHGD	
C[C@@H]1CCC[C@@H](C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	768348926	CHIOKCKPSDAUKO-MGPQQGTHSA-N	306.381	3.521	50	20	DHGD	
Cc1cc(C=NNC(=O)NCCc2cccs2)ccc1Cl	779771821	RSNAPPMTTOXOGP-UHFFFAOYSA-N	321.833	3.586	50	20	DHGD	
C#CCCCCCC(=O)NNc1cc(C(F)(F)F)ccc1F	780671176	RZUUMJUEJUBVLW-UHFFFAOYSA-N	316.298	3.871	50	20	DHGD	
CCC1(C=NNC(=O)Nc2ccc(C)cc2Cl)CCOCC1	781127241	LJPPGUXNOHLYTP-UHFFFAOYSA-N	323.824	3.963	50	20	DHGD	
Cc1cc(C=NNC(=O)c2c(Cl)cccc2Cl)sn1	785454439	UTCURNOQUBSVQE-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
C[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	785760089	UXHMEBIMGGMORD-CWVUYVHYSA-N	300.377	3.818	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)NC1CCC2(CCCCC2)CC1	786863356	SZZZJVSYRYYRAU-UHFFFAOYSA-N	323.481	3.646	50	20	DHGD	
CC(C)NC(=O)NN=C[C@H](C)c1ccc(C(F)(F)F)cc1	789000600	NTQCSDMOVVOVOY-JTQLQIEISA-N	301.312	3.502	50	20	DHGD	
C[C@H](C=NNC(=O)NCC1CC1)c1ccc(C(F)(F)F)cc1	789001430	YIMYQQPIIHFLKH-SNVBAGLBSA-N	313.323	3.504	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1cccnc1Cl	790873931	PORFMXKRGSEAIR-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C)n(C(C)C)c1C	795341632	KFNAUYLMKVAFIE-UHFFFAOYSA-N	314.223	3.794	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(OC)c1F	799412726	FGOPFKBQIKLGIT-UHFFFAOYSA-N	317.364	3.854	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccsc1	801439603	AHXVESALURAXDG-KYJZABPNSA-N	300.358	3.672	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1OC	806569308	QBGKJANZUDBBDC-GDNBJRDFSA-N	324.336	3.985	50	20	DHGD	
C[C@@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NCC(Cl)Cl	808131671	RIFQXIDPCHGEKB-SNVBAGLBSA-N	318.244	3.671	50	20	DHGD	
N#CCC1CCN(Cc2ccc(OCCCCl)cc2)CC1	811488656	HFJQZPKMFHOALG-UHFFFAOYSA-N	306.837	3.820	50	20	DHGD	
CSSCCNC(=O)N1CC2(CCC2)[C@@H]1c1ccccc1	814391947	WQIFYYFEIDJXEA-AWEZNQCLSA-N	322.499	3.934	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CC3(CC3)C2)cc1	814705390	ZZZMNGQIAGSIMG-UHFFFAOYSA-N	307.397	3.754	50	20	DHGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNc1ccc2ccccc2n1	831749888	KNABFUUXHBVFHU-NSHDSACASA-N	324.211	3.652	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1cc(C(C)C)on1	836432704	BUFQCVIVKCDBNR-UHFFFAOYSA-N	308.769	3.908	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1C[C@H]2CC[C@H]1O2	836790009	ZHKPTPHQLJRJBZ-SQWLQELKSA-N	302.418	3.519	50	20	DHGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NCC(Cl)Cl	837649544	QVMCWBZNHRAOCC-UHFFFAOYSA-N	311.212	3.534	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1F	853261795	VAZOPSKXRZKRDL-GHMZBOCLSA-N	316.298	3.910	50	20	DHGD	
COc1cccc2cc(CNC[C@]3(C)C[C@@H]3Br)oc12	856807397	NWDIKTYFGBWPGA-ZFWWWQNUSA-N	324.218	3.705	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)c(C)c1	856811736	SQFOLFVDLOAPSF-TZMCWYRMSA-N	311.223	3.598	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2[C@H]3CCC[C@H]32)C1	912579937	KMBUOZHMNLSEIT-KBXIAJHMSA-N	309.526	3.655	50	20	DHGD	
Cc1occc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912585538	XTRPDHPAVBWRKL-CYBMUJFWSA-N	309.482	3.824	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2ccc(Cl)cc2)cc1	919118722	LJUNTHKNPLUADC-UHFFFAOYSA-N	302.805	3.978	50	20	DHGD	
CCc1ccc([C@H](NC=C(C#N)C#N)c2cccc(F)c2)cc1	1115817669	ZTNIZKDPEBBJDS-IBGZPJMESA-N	305.356	3.998	50	20	DHGD	
O=C(N[C@H]1CCO[C@@H](c2ccccc2)C1)C1CCC(Cl)CC1	1351764867	XERRYYPHMPGSJS-SJJHQCBESA-N	321.848	3.821	50	20	DHGD	
COc1ccc(OC)c(/C=C(/C#N)c2nc3ccccc3n2C)c1	33377462	YRAAKLCAFBIHOA-UVTDQMKNSA-N	319.364	3.655	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	45150421	SYTGPKUYNWPJGL-QGZVFWFLSA-N	308.385	3.582	50	20	DHGD	
Cc1c(NC=C(C#N)C#N)cccc1NC(=O)c1ccccc1	55010500	MXROEQUSTXPNIM-UHFFFAOYSA-N	302.337	3.590	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)OC(C)C)cs2)cc1	60421681	IBRMGMHIKDSCNV-RIYZIHGNSA-N	312.394	3.977	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1c(F)cccc1F	118512443	IOIPXCRPBDINNE-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
Cc1ocnc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	128018677	YCROYDOSGJKCKA-UHFFFAOYSA-N	320.563	3.700	50	20	DHGD	
O=C(CCC(=O)c1ccc(Cl)cc1)NNc1cccc(F)c1	154158308	WVTUTVXOARXGHK-UHFFFAOYSA-N	320.751	3.585	50	20	DHGD	
N#C/C(=C\c1cccnc1Cl)C(=O)Nc1ccccc1Cl	171349977	IKFWPHZYRXQRBK-DHZHZOJOSA-N	318.163	3.934	50	20	DHGD	
O=C(C[C@@H]1CCCOC1)NN(Cc1ccccc1)c1ccccc1	195073041	HXJIPTWQJITAAW-SFHVURJKSA-N	324.424	3.541	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1ccccc1)C1CC1	255512438	HUDCXYGNHMWRLE-LYPXWFNGSA-N	318.376	3.567	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(F)cc1	293205552	XHBILFBBMKXPSR-UHFFFAOYSA-N	301.365	3.663	50	20	DHGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1ccc2c(O)nccc2c1	295999035	MAGOBVBCURKMBK-IUODEOHRSA-N	313.401	3.600	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1scnc1C1CC1	491159200	HWRKAKYZGJGGKI-TZRLYZKDSA-N	315.442	3.622	50	20	DHGD	
CN(N=Cc1sc(Cl)nc1Cl)C(=O)OC(C)(C)C	494058141	HKWRJSPEEHVELN-UHFFFAOYSA-N	310.206	3.651	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)[C@@H](CC)c2ccccc2)c1	731931705	OAPXTQILTYSSPS-IBGZPJMESA-N	322.408	3.895	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1	734363972	TVLNCABPWRTLAQ-UHFFFAOYSA-N	306.312	3.721	50	20	DHGD	
Cc1cccc([C@H](C)NC(=O)NNc2ccc(F)cc2)c1C	734692223	LYDYGNMFUUHLHA-ZDUSSCGKSA-N	301.365	3.830	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	743818652	HRQWVFLQNWSULD-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
C#C[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	744181849	YMPUGISMWAUGBF-LZNAANCOSA-N	312.413	3.623	50	20	DHGD	
CCC(C)(C)CC(=O)NNC(=O)c1cc2c(s1)CCCCC2	744458102	GZSUEMDXYQYXOR-UHFFFAOYSA-N	322.474	3.604	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1ncnc2ccsc12	752127901	TUPARAHHWOANQQ-LLVKDONJSA-N	318.446	3.741	50	20	DHGD	
O=C(NN=C[C@@H]1CCc2ccccc21)c1cc2ccccc2o1	755756959	BVZPHQUMWHSEJC-HNNXBMFYSA-N	304.349	3.878	50	20	DHGD	
N#Cc1cc(C(=O)NNc2cccc3cnccc23)ccc1Cl	758384440	WEBBHBNGIKNPDN-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc[nH]2)c1C	760737895	IYDPXQFZOIBNEW-MPMPPSQCSA-N	324.428	3.627	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cnn(C(F)F)c1	767894441	INCJYSPCOAMGSN-SNVBAGLBSA-N	321.418	3.931	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(O)c(F)c1	768300185	QBVMXVIVUXKSFO-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nc3ccccc3s2)c(F)c1	769925663	QSVFCFMTDPLQHU-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
C[C@H](CBr)COC(=O)/C=C/c1ccc2[nH]ccc2c1	770408297	VAGJGBAOIVUSSO-JOAKQRRISA-N	322.202	3.755	50	20	DHGD	
CCCC(=CC(=O)NNC(=O)c1cc2ccccc2o1)CCC	770750267	LXORWJVNUPZXAQ-UHFFFAOYSA-N	314.385	3.720	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCCC2(C)C)c(Cl)c1	773824130	FJMTZJTWTFUPKY-LLVKDONJSA-N	323.824	3.627	50	20	DHGD	
O=C(NNc1ccccn1)c1sc2cc(F)ccc2c1Cl	777475256	VZBZFGPRVJDALB-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1OC(F)(F)F)C1CCCC1	779217033	LBESZMPSVQTKNU-JTQLQIEISA-N	316.323	3.855	50	20	DHGD	
C[C@H]1CCN(S(=O)(=O)CCCCCl)CC12CCCCC2	780840451	HLFZHDFHPADOMY-AWEZNQCLSA-N	321.914	3.628	50	20	DHGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)c1ccc(Cl)nc1	781589312	HSFXSTCBVVGUAM-UHFFFAOYSA-N	317.751	3.538	50	20	DHGD	
CC(C)(C)C1CCC(C=NNC(=O)Cc2cccnc2)CC1	783845954	JCZPKCBUBZAIHS-UHFFFAOYSA-N	301.434	3.579	50	20	DHGD	
CC[C@H](C)[C@H]1CCCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	787379368	APAZJULYQGTAFK-QBDRBRNDSA-N	312.413	3.726	50	20	DHGD	
COc1cc(NNC(=O)c2cccc(C)c2F)ccc1Cl	790170530	MNTNYKPVQIIXKQ-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(F)c(C)c2)ccc1Cl	790179950	CZHNGGQSONNHEQ-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
O=C(NN=CCc1cccc(Cl)c1)c1cccc(Cl)c1	794871517	KFYNFKSHZKLZCL-UHFFFAOYSA-N	307.180	3.952	50	20	DHGD	
CCc1cccc2c(/C=C(\C#N)C(=O)[C@@H]3CCCOC3)c[nH]c12	794883703	MIIUFJBGEGAPCI-UWZYDCLUSA-N	308.381	3.633	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(F)c(C#N)c1	794949079	OQRJAYRJLBHAFR-UHFFFAOYSA-N	311.360	3.886	50	20	DHGD	
CCC(C)(CC)C(=O)NNC(=O)Nc1ccc(C)cc1Cl	802048045	MGBYRKPXNVCWNQ-UHFFFAOYSA-N	311.813	3.627	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)cc2)cc1C	809145679	CTNQUGLHDUYMJZ-YVLHZVERSA-N	305.333	3.792	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1cc(C2CC2)ccn1	810325101	XFLLRUSUNSADSH-UHFFFAOYSA-N	319.368	3.656	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1cccnc1Cl	810494193	OCACPEDEGHRCTO-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
OCc1cccc(NCc2ccc(OCCCCl)cc2)c1	811493486	HTGJNVGOKPGYNJ-UHFFFAOYSA-N	305.805	3.799	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cc2ccccc2o1	812438032	JQJWILCZDJKVQG-UHFFFAOYSA-N	312.756	3.779	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@H]1CCCC(F)(F)C1	819746427	BFLFACHXJSMAED-ZETCQYMHSA-N	324.158	3.657	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(/C#N)C(=O)[C@H]1CCCOC1	834437971	DBQARWMUXUOVAU-PMFHANACSA-N	321.376	3.751	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	835069449	GXKSMLVKLKTJKH-SECBINFHSA-N	305.252	3.787	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@@H](C)c2ccc(C)s2)cc1	837818998	GJORLUKUJCPBOU-LBPRGKRZSA-N	319.430	3.843	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)Cc2ccc(C#N)cc2)c(C)c1	847600426	NZPMFTACFLHFDG-MRXNPFEDSA-N	321.424	3.805	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C2CCOCC2)c(C)c1	849248227	NOSJEKMEQAMLPO-ATVHPVEESA-N	313.397	3.687	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1ccnc(Cl)c1	855461584	DQFQWTKYNITFCG-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857265464	NYOZNHLGWAFHJI-AWEZNQCLSA-N	316.323	3.759	50	20	DHGD	
CC(C)c1ccccc1C(=O)NC[C@]1(C)C[C@@H]1Br	857686591	AXEATAPFUPEZNI-ZFWWWQNUSA-N	310.235	3.713	50	20	DHGD	
CCOc1cccc(CCC(=O)NNc2cc(C)ccc2C)c1	860316131	MRNDXZCDVDNIPM-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(Cl)cc1Cl)C(C)C	916254881	RFWMAIARKIITEC-UHFFFAOYSA-N	317.216	3.910	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)Cc1c[nH]c2ccccc12	916337518	AOMOLBOOSXVZOB-UHFFFAOYSA-N	319.408	3.835	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@@H](C)c2ccccc2)cc1	916345816	NKVHFTPYGUYOGR-OAHLLOKOSA-N	312.438	3.993	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccoc1C)O[C@H](C)C2	916545707	VBSFMFPWICWNBN-LYGDGENHSA-N	323.348	3.710	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCC2CCCCCCC2)c1	918114856	QRJVFFBCOAUBNY-UHFFFAOYSA-N	300.406	3.545	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	1290150453	QFSHXBGHYXDPBR-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CSCc1cccs1	1321359882	XXABCBDVDQNPDC-UHFFFAOYSA-N	320.483	3.995	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1nccnc1C(C)C	1324760698	SRDJNRMLTOVVCT-UHFFFAOYSA-N	324.384	3.666	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1cc(F)cc(Cl)c1	1331263755	RUDLDCATSBDQDJ-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
CCC(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)cc1	1776675980	PENFZRVAKHXXLX-RVDMUPIBSA-N	305.333	3.938	50	20	DHGD	
Cc1cccc(NNC(=O)c2csc3c2CC[C@@H](C)C3)c1	72514334	UPZKSGDWGQQBRY-GFCCVEGCSA-N	300.427	3.938	50	20	DHGD	
COc1ccc(Cl)cc1CC(=O)NNc1cc(C)ccc1C	102776374	HPUXROMWFUXUTG-UHFFFAOYSA-N	318.804	3.651	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(Cl)c(Cl)[nH]1	119029539	RSVUUIPBIGGHAB-UHFFFAOYSA-N	302.136	3.526	50	20	DHGD	
O=C(CCC(=O)c1cccs1)NNc1ccccc1Cl	120775739	UAEFAPQBMCXARK-UHFFFAOYSA-N	308.790	3.508	50	20	DHGD	
Cn1c(/C(C#N)=C/c2ccc3c(c2)CCO3)nc2ccccc21	125797734	LCXINTDHGCKIQE-RVDMUPIBSA-N	301.349	3.572	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)c1sccc1C(C)C	139034570	VTEJIMPHFUULTI-UHFFFAOYSA-N	317.414	3.646	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1ccccc1F	153319499	AABSMPTWCONSBJ-GFCCVEGCSA-N	304.390	3.591	50	20	DHGD	
Cc1ccccc1-c1cc(NC(=O)NNc2ccccc2)n(C)n1	153394743	WSEGMIVQLPFFSJ-UHFFFAOYSA-N	321.384	3.544	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3cccc(F)c3)cc2C1	154084282	OPLXPRFBDAODHT-SNVBAGLBSA-N	304.390	3.769	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c(C(C)C)nn(C)c2Cl)c1	158736081	SCKGRLMQNZWSFY-UHFFFAOYSA-N	320.824	3.571	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2c(C)cccc2F)cc1	184386343	GJLYXSRIERTISC-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2c(F)cccc2Cl)CCO1	184660157	CYJNRAAZYTUFOS-WDEREUQCSA-N	314.788	3.518	50	20	DHGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	208342519	IPGNWADUNAPQCR-WZUFQYTHSA-N	323.333	3.927	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1nc(C(C)C)c(C)s1	279772762	QIIWJXCDGSZCJC-UHFFFAOYSA-N	321.421	3.708	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccccc1O	299547625	KQWGOTDOZJRMOY-CYBMUJFWSA-N	311.472	3.723	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)ccc1C	588597244	FHCVLUTWSHWMJU-WJDWOHSUSA-N	306.365	3.574	50	20	DHGD	
CCCC(=NNC(=O)Cc1nc(C)cs1)C1CCCCC1	727778026	XBMNOQBDZMALNK-UHFFFAOYSA-N	307.463	3.847	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)CCc3ccccc3O)C2)cc1	729934559	LUTDOSFOERTDNH-UHFFFAOYSA-N	322.408	3.683	50	20	DHGD	
Cc1cccc(NNC(=O)C(F)(F)c2cccc(Cl)c2)c1	731784418	RFHNNIWAOLZODU-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
CC(C)Cc1ccc(C(=O)CCC(=O)NNc2ccccc2)cc1	732265616	RJCJSXCZGAXGJW-UHFFFAOYSA-N	324.424	3.991	50	20	DHGD	
C[C@H](CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)CC(C)(C)C	736563544	QPBXHRPJKBEKPR-SNVBAGLBSA-N	323.345	3.661	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc3ccccc3nc2O)c(C)c1	743762151	YFXVZIQSKFFMOO-UHFFFAOYSA-N	321.380	3.623	50	20	DHGD	
CC(=NNC(=O)Cn1ccc2ccccc21)[C@H](C)c1ccccc1	746370220	JNLHMCALCMGCMV-HNNXBMFYSA-N	319.408	3.937	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3F)o2)o1	752174289	HBQOMSRDBILFAC-UHFFFAOYSA-N	312.300	3.751	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756769240	TYNVUBXNRIMFRG-RBSFLKMASA-N	324.428	3.679	50	20	DHGD	
CC(CC1CCOCC1)=NNC(=O)c1cccc2ccccc12	757584266	MXGOQGDEQDEUOC-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
Cc1csc(CC(=O)NN=C[C@@H](C)c2cccc(Cl)c2)n1	763359585	QQSYHBWDDRJBNB-SNVBAGLBSA-N	321.833	3.553	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C1CCC(C)(C)CC1)c1ccccc1	768567953	AVNKNPCXMYBJKI-MRXNPFEDSA-N	316.445	3.544	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(OC2CCC2)cc1	771706465	FFUWFTGMRUAUML-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
Cc1ccsc1C=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	773094885	MBPDCTMXJPTLGJ-LLVKDONJSA-N	322.817	3.628	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2nc3c(s2)CCCC3)c1	776267365	YAVVCLGBYRCGNM-RAXLEYEMSA-N	323.421	3.876	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cccc(Cl)c1	781067244	UWJYUYSNWORRCI-LLVKDONJSA-N	318.642	3.766	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2=CCCCC2)cc1C(F)(F)F	783686170	RBNCRHAOXMMACM-UHFFFAOYSA-N	309.291	3.521	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]nc2-c2ccoc2)cc1	790015809	OUHHYDSZCNHQIZ-UHFFFAOYSA-N	324.384	3.724	50	20	DHGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)C1CCOCC1	794957192	DBSJIZZZXGKTHO-QGOAFFKASA-N	318.376	3.651	50	20	DHGD	
CN(C)C(=O)NN=C1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1	799479619	YQPUIDSJWLXSNN-LLVKDONJSA-N	313.323	3.600	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccccc2)on1	799755756	RPWGLUQJQWOKAL-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
O=C(NN=Cc1cscc1C(F)(F)F)c1ccccc1F	811630298	XRTAWDJOMZMORJ-UHFFFAOYSA-N	316.279	3.670	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@@H]1CC[C@H](C)O1	812766722	VSTKHKBGAXSWCX-GJZGRUSLSA-N	304.434	3.909	50	20	DHGD	
Cc1n[nH]cc1C(=O)NN=C1CCCC[C@@H]1C1CCCCC1	814852466	ZXLUZCZVTRBQRU-CQSZACIVSA-N	302.422	3.574	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@H](C)SC)c1C	835679011	VOLMJHPNEYHUDU-LWLPBDFMSA-N	320.458	3.717	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1	837067457	ZLTJDGMTSAYSJC-QHBYGKTLSA-N	312.413	3.521	50	20	DHGD	
CCOC(=O)CC(C)(C)CC(=O)NNc1ccc(C(C)C)cc1	839789326	YKKNGMWJIUZTHS-UHFFFAOYSA-N	320.433	3.623	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2ccc(Cl)cc2)C1)c1cc[nH]n1	853391244	DXIJWADLFCCPQY-LBPRGKRZSA-N	316.792	3.507	50	20	DHGD	
CCSc1ccc(C(C)=NNC(=O)OCC(F)(F)F)cc1	853429144	FJUNCJWTCJSEQH-UHFFFAOYSA-N	320.336	3.811	50	20	DHGD	
C[C@]1(C/N=C/c2cc3ccccc3nc2O)C[C@@H]1Br	856718755	NTWPHHWFIAKUHW-IYOXFDBGSA-N	319.202	3.533	50	20	DHGD	
O=C(NNc1nc(C(F)(F)F)cs1)C1CCC2(CC1)CC2	857150549	SGKSNJGKWBNXMV-UHFFFAOYSA-N	319.352	3.575	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NC[C@]1(C)C[C@H]1Br	857387883	NZRUQNKEMQMYQO-OCCSQVGLSA-N	314.223	3.615	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1[nH]c(C)c(C=O)c1C	861793021	WLKJNSHBZHKOKC-UHFFFAOYSA-N	313.401	3.633	50	20	DHGD	
CC[C@@](C)(C#N)C(=O)NNc1ccc(OCc2ccccc2)cc1	862517087	DVRJZSSYVJZPPW-IBGZPJMESA-N	323.396	3.649	50	20	DHGD	
CC(C)(C)SCCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	869428459	HNYMKRTUZCAUKH-KAMYIIQDSA-N	319.426	3.764	50	20	DHGD	
CC(C)n1ncc2ccc(NC(=O)NCC(Cl)Cl)cc21	878496572	CWFVRYUNPASXJE-UHFFFAOYSA-N	315.204	3.542	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)c1ccn(C2CCCC2)n1	885107894	RETIFDUIHHABJW-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
C[C@@H](CNC(=O)NNc1ccccc1Cl)c1ccccc1	915904488	ZMHSSUUCBSDPGB-LBPRGKRZSA-N	303.793	3.770	50	20	DHGD	
O=C(NN=C/C=C/c1ccccc1)c1ccc2ccccc2n1	916244496	ZANMNRDWEFOVMF-ZXVGDPLCSA-N	301.349	3.664	50	20	DHGD	
CCCCNC(=O)NN=C/C(Br)=C\c1ccccc1	920752520	KGFNPIGFEFRLHL-JXRKRAMUSA-N	324.222	3.508	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(Cl)c(C)c2)CCO1	928339969	OEEVQVXFVUEEPO-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(F)ccc1/C=C(/C#N)c1nc(N)c2ccccc2n1	1318120090	FEQDRXXQFISQSR-LCYFTJDESA-N	304.328	3.724	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)c1ccccc1Cl	1320944854	JLWIXRJZYAIXII-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)c1ccc(F)c(F)c1	1325025912	CMMUHEXSEGIQDB-VIFPVBQESA-N	319.145	3.563	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccn1C1CC1)c1ccccc1	1327375931	PKDQJZIXPUBNQI-AGWAZZAUSA-N	319.408	3.997	50	20	DHGD	
O=C1CC[C@H]2CN(C(=O)C3CCC(Cl)CC3)c3cccc1c32	1347162478	MSMOXAWJSPEGBY-CPCZMJQVSA-N	317.816	3.891	50	20	DHGD	
Cc1nc(-c2ccccc2)c(C(=O)NN(C)c2ccccc2)s1	16501444	WJUGRNWIAZGPLA-UHFFFAOYSA-N	323.421	3.900	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cccc2c1OCCCO2	53105912	JGOIHXGUBCKFJL-GXDHUFHOSA-N	309.321	3.539	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cc2ccc(Cl)cc2[nH]1	85681976	FXSFXFGNSWRMNH-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2c(F)cccc2F)c1	118510902	JBZGINYMWLVOBI-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(F)cc1C)c1ccc(F)cc1	118949598	HJZGGQQDPHIVOM-KHPPLWFESA-N	302.324	3.820	50	20	DHGD	
Cc1ccsc1C(=O)NNc1cccc(Br)c1	127187944	GPJQOTJJYOCXFS-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
C[C@H](CBr)CN(CCC(F)(F)F)CC1CC1	133883738	WSWODTLNPCROBO-SECBINFHSA-N	302.178	3.682	50	20	DHGD	
ICC1(OCc2ccccc2)CCCC1	158129847	HIECDIKNTZMSMD-UHFFFAOYSA-N	316.182	3.951	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1F	175427622	GDSAREVZTUNEDT-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)Nc1ccc(Cl)cc1	176837209	IAKMNBUXZXYPEP-WDZFZDKYSA-N	313.769	3.819	50	20	DHGD	
Cc1c(C(=O)NNc2ccncc2)sc2ccc(F)cc12	180478881	WDMVORFDHNJFJQ-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2nccs2)ccc1Cl	182205146	PZOQEPZHGFXBHT-YRNVUSSQSA-N	303.774	3.651	50	20	DHGD	
C=CCc1cc(/C=C(\C#N)C(=O)c2ccoc2C)cc(OC)c1O	195288925	XBGCBYFODKAWJB-OQLLNIDSSA-N	323.348	3.821	50	20	DHGD	
CCC(=NNC(=O)c1cccnc1)c1ccc(Cl)cc1Cl	254582659	CGHDZGSYBRPEER-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
O=C(/C=C\c1cccs1)NNc1ccccc1Br	255294040	VIJUEWAPCLONBR-FPLPWBNLSA-N	323.215	3.667	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(OC)cc2)cc1	267514187	JQVASGXRSWBKOI-ZDUSSCGKSA-N	314.385	3.629	50	20	DHGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)[C@H]1CCCOC1	280970609	LGXWNDQELUTGEY-PYJSORCASA-N	318.376	3.651	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccncc1C(F)(F)F	282129501	HBFXNJSJXXTTFB-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
COC(=O)N(C)N=C(C)c1cccc(OCc2ccccc2)c1	496093811	OQHWBTCDBOJZTF-UHFFFAOYSA-N	312.369	3.688	50	20	DHGD	
C#CCOc1ccc2ccccc2c1C=NNC(=O)CC(C)(C)C	728428884	LNDFZLOAUMNDGX-UHFFFAOYSA-N	322.408	3.738	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNc2c(F)cccc2F)c1	735760201	RZABSXAHFSKJMT-GFCCVEGCSA-N	319.355	3.969	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	747015071	QHHATQWHVFQMRF-UGCFCYIHSA-N	312.413	3.606	50	20	DHGD	
Cc1noc(C)c1N(C)C(=O)CCCC[C@H]1CCSS1	748554572	RFYCQIWVKTXJGY-LBPRGKRZSA-N	314.476	3.968	50	20	DHGD	
COc1ccc(CN(C)/C(=C\C#N)c2ccccc2)cc1OC	750791599	QIIYHHUGMUZVGY-BOPFTXTBSA-N	308.381	3.700	50	20	DHGD	
CC1(C)CCC[C@H](C=NNC(=O)COCc2ccccc2)C1	752733845	JQIITLMTBWBXEV-INIZCTEOSA-N	302.418	3.522	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)CCCc1ccccc1	754226710	RHXZFGDPEGICNA-HNNXBMFYSA-N	318.461	3.619	50	20	DHGD	
C[C@H]1N(C(=O)CCCC[C@@H]2CCSS2)CCOC1(C)C	763704853	RTKIANKPBPKSBR-CHWSQXEVSA-N	317.520	3.726	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@H](Cc2ccc(F)cc2)C1	770653057	LXPVOPOEZZUOMU-OCCSQVGLSA-N	314.242	3.721	50	20	DHGD	
C[C@@H](CBr)CNC1(c2ccc(F)cc2)CCC1	770665398	DLUPRKYTWLMXQR-NSHDSACASA-N	300.215	3.826	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cscc2Cl)cc1	771836602	CSBLWFYAEMBPDY-MLPAPPSSSA-N	316.813	3.933	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1ccc(C(F)(F)F)cn1	775257503	OPYHIPNHCWAKOR-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCCOc1cc(C)ccc1NC(=O)NNc1ccc(C#N)cc1	775524216	DMBVRULNMGNHMI-UHFFFAOYSA-N	324.384	3.804	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C(C)C)nc1	777477014	ZACKQYRIEDYWQZ-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2cc(Cl)ccn2)cc1	778446798	CRPCGAPEOMDGAI-UHFFFAOYSA-N	321.833	3.533	50	20	DHGD	
CC(CCc1n[nH]c2ccccc12)=NNC(=O)c1ccccc1C	782223599	TUMMYACWLQINAQ-UHFFFAOYSA-N	320.396	3.610	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1cccc(C(F)(F)F)c1)C(F)F	789038080	UJXHZFPKZMRYTA-JTQLQIEISA-N	320.261	3.710	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc3c2OCC3(C)C)c1	789996772	ZZOHNHVEGINAQJ-UHFFFAOYSA-N	310.397	3.730	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccsc1Cl)c1ccccc1	790099096	DEIAOVBFRQAQQO-FMIVXFBMSA-N	302.786	3.971	50	20	DHGD	
N#C/C(=C\c1ccsc1Cl)C(=O)NCCc1ccccc1	790102130	YIIJMIUZBWUWMD-GXDHUFHOSA-N	316.813	3.667	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)C1CCOCC1	794957512	FHBFESCTYBATIH-KPKJPENVSA-N	310.180	3.896	50	20	DHGD	
C[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CC(C)(C)O1	811459180	ZAIDKFMSKRPICU-CQSZACIVSA-N	311.853	3.694	50	20	DHGD	
ClCCCOc1ccc(CNC2Cc3ccccc3C2)cc1	811490702	TUWLBWTVDILZRI-UHFFFAOYSA-N	315.844	3.951	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cn1	812244578	FKCYFZMTDUHZGT-IZZDOVSWSA-N	315.716	3.716	50	20	DHGD	
O=C(CCCC1CC1)NNc1ccc(OC(F)(F)F)cc1	812534109	ZRRJTRIBDMUMLX-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1ccc(C2CCC2)cc1	814812604	FBBPECDGPBTMSA-UHFFFAOYSA-N	322.408	3.656	50	20	DHGD	
N#CC1(CC(=O)NNc2cccc3c2CCCC3)CCCCC1	830801410	DZLWBOYRVUTQRO-UHFFFAOYSA-N	311.429	3.873	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	853277042	KWIDNOGKAUEQPN-LLVKDONJSA-N	317.458	3.918	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2ccc(C#N)cn2)C1	853896872	NITPZDAMLZTJHX-OAHLLOKOSA-N	317.509	3.944	50	20	DHGD	
Cc1cccc(NNC(=O)CSc2ccc(C(C)C)cc2)n1	862523415	CPUJGTJQIPWOAB-UHFFFAOYSA-N	315.442	3.749	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1CCCC[C@H]1C(F)(F)F	868861164	FVLKHRAFAOHTSE-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
C=C(C)COC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	916617815	JQJOTKBMKOCYCR-LICLKQGHSA-N	300.402	3.931	50	20	DHGD	
C[S@](=O)CCNCc1cccc(S(F)(F)(F)(F)F)c1	921750772	ALYDGVQWQKTZRC-SFHVURJKSA-N	323.352	3.812	50	20	DHGD	
O=C(Nc1ccc(NC(=O)C2CC2)cc1)C1CCC(Cl)CC1	1520755364	ZSJSDUIPRMCCDC-UHFFFAOYSA-N	320.820	3.771	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)oc1C	60452821	QXJOICVUSSDFHU-OVCLIPMQSA-N	323.348	3.781	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)c(Cl)c1	91985091	FVPHUONOLQEUNJ-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1ccc2c(c1)COC2	93098842	VWFADBFKTKIJDL-UHFFFAOYSA-N	303.749	3.519	50	20	DHGD	
C[C@@H](CC(=O)NNc1c(F)cccc1F)c1cccc(F)c1	118515171	UPIZDMLMLKCHAZ-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc3ccccc3c2)c1	157574171	SPWXTMOLKPRWLV-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
C[C@@](CCl)(CI)OCc1ccccc1	158129385	FKZLQUQTHBFARD-LLVKDONJSA-N	324.589	3.636	50	20	DHGD	
Cc1ccc(NNC(=O)CCCOc2ccc(F)cc2F)cc1	158913808	CWMFXALUCSZDJV-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CCOc1ccc2cc(C(=O)NNc3cc(C)ccc3C)[nH]c2c1	159123516	OSZXVFYBRACYQL-UHFFFAOYSA-N	323.396	3.940	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C(C)(C)c2ccc(C)cc2)c1	160913894	UYOJLGMSCUTHGI-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccccc1)c1ccc(F)cc1F	161999973	HUEHDUYTPVTBGY-HNNXBMFYSA-N	305.328	3.742	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccc(Cl)c1Cl	191757775	PXXMRYZTHKVWOB-JXMROGBWSA-N	304.198	3.683	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(Cl)n1	195432125	KCJZHTAYOYGLMA-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12	207893578	BBYKPPDULIDTBO-LCYFTJDESA-N	317.304	3.866	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1OC(F)F	212656807	KWBIKFIOHJRRQW-XFFZJAGNSA-N	319.263	3.679	50	20	DHGD	
Nc1ccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)cc1	254705830	FVROQVOOTIISQD-UHFFFAOYSA-N	315.376	3.700	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)/C=C\c2ccc3ccccc3n2)c1	255674558	LYVKDVRARDONKI-LUAWRHEFSA-N	321.355	3.839	50	20	DHGD	
CC(C)Cn1ccc2c(C(=O)N3CC=C(C#N)CC3)cccc21	278671048	OQRGYRDCKZLVNG-UHFFFAOYSA-N	307.397	3.593	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1c1ccsc1	284361559	ZDLMYBYLKKBVCX-NSHDSACASA-N	302.490	3.606	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C[C@@H]1c1ccc2ccccc2c1	294672543	MGIFHOROUWQQKW-KGLIPLIRSA-N	308.208	3.863	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2scnc2C2CC2)cc1	491011628	PJYUGTRYOINHED-NVNXTCNLSA-N	323.421	3.552	50	20	DHGD	
Cc1cccc([C@H](C)CNC(=O)NNc2ccc(F)cc2)c1	741426478	RZZHJQRXVGANAB-CYBMUJFWSA-N	301.365	3.564	50	20	DHGD	
C/C(C=NNC(=O)Nc1ccc(N(C)C)cc1)=C/c1ccccc1	741766255	AMABZUSUOJLRLI-PHQNPPNDSA-N	322.412	3.963	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCC2)c(C)n1CC(C)C	742001084	SDBGJFNQFLBHQI-LICLKQGHSA-N	313.445	3.679	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2F)o1)NC1CCCC1	743531970	IMDZMHVWCGPCGI-UHFFFAOYSA-N	315.348	3.661	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)c1ccc(OC)c(OC)c1	748243947	FKSUBZNVNUJESH-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2)c(Cl)c1	749273592	OHVHZZJYBLESRA-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
O=C(CCn1cccc1)Oc1ccc([N+](=O)[O-])c2ccccc12	757424525	DFQARHJGPRCATR-UHFFFAOYSA-N	310.309	3.545	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1Cl)c1ccncc1	758068395	GKQNXJKYNHZVAG-CQSZACIVSA-N	313.788	3.789	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1nc2ccc(Cl)cc2n1C	760249653	YIHHSDWYCYBPRG-UHFFFAOYSA-N	320.824	3.503	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1	760464265	ZIIJHNNZGVXHLQ-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
C[C@@H](CBr)COC(=O)C1(c2ccccc2)CCC1	770320276	ZOCJXFRVRIQKDI-LBPRGKRZSA-N	311.219	3.683	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@H](c2cccc(F)c2)C1	770650142	QSVBJPYATHZXNT-AAEUAGOBSA-N	300.215	3.646	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H](C)c1ccc(F)cc1	771304454	INLITKQAFKBINB-GFCCVEGCSA-N	319.355	3.703	50	20	DHGD	
N#C/C(=C\c1cscc1Cl)C(=O)NCc1ccccc1	771843363	YZYNOAPDULNFPN-WUXMJOGZSA-N	302.786	3.625	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@@H](C)C[C@@H]1C	783821197	MEVFHZZGERWZOQ-MNOVXSKESA-N	308.809	3.891	50	20	DHGD	
CC[C@@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	787337355	KCGXDTQKKXMRQU-QTXHJTIISA-N	320.392	3.741	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NCCSSC	791152128	IYJDOODCKFFHER-LBPRGKRZSA-N	301.502	3.685	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2c(c1)CCO2	791729189	HIDHLKKAHVNDPI-UHFFFAOYSA-N	323.179	3.685	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@H](F)CC1CCCCC1	793779617	NRWCQFRWHASWHH-OAHLLOKOSA-N	315.392	3.986	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(C)cc1C	794785268	LEXTZRGFHIQCNO-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NNc1ccccc1F	802826138	WUSQGLIHZNQITG-ZDUSSCGKSA-N	311.360	3.560	50	20	DHGD	
CC(F)(F)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	814692571	MNTFGKIZCHWIDX-UHFFFAOYSA-N	303.523	3.745	50	20	DHGD	
CC(C)[C@@H]1CC(=NNC(=O)c2cc3ccccc3o2)CS1	814866940	KTKVPTXEKGPABL-HNNXBMFYSA-N	302.399	3.680	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(Cl)n1)c1cccc(Cl)c1	817010778	QNHMDARWYPWSKR-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N(C1CCC1)C1CCC1	817049451	ZDHORODWQACMGP-LBPRGKRZSA-N	302.256	3.730	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)ccc1Cl	830095554	AMYDCZOKLZSBFR-DOMZBBRYSA-N	310.825	3.543	50	20	DHGD	
Cn1c(SCCO[Si](C)(C)C(C)(C)C)nnc1C1CC1	839997508	CNWTYRHAJVRDNR-UHFFFAOYSA-N	313.543	3.806	50	20	DHGD	
O=C(NN=C1CC[C@H](c2cccc(Cl)c2)C1)c1ccc[nH]1	841617260	KEWLGFWBVYAONS-LBPRGKRZSA-N	301.777	3.722	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1C[C@@H]1CCCOC1	844350754	WPIUOZNJCCQHML-JKSUJKDBSA-N	313.558	3.899	50	20	DHGD	
CCc1cccc2cc(/C=C(/C#N)C(=O)[C@H]3CCCOC3)oc12	849179399	OGTHJUXQRRJMQR-HEUOVEHFSA-N	309.365	3.898	50	20	DHGD	
Cc1cncc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1	852523634	AWPQYRNNOGAEMD-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
C=C(CBr)COC(=O)Cc1ccc(F)c(Cl)c1	860026842	RYFSVVMDYALGPP-UHFFFAOYSA-N	321.573	3.516	50	20	DHGD	
C[C@@H](NNC(=O)c1ccc(C2CCCC2)cc1)C(F)(F)F	862321575	YGPKFPXJRJGFLF-SNVBAGLBSA-N	300.324	3.529	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)c1ccc(Cl)cc1	916254187	LYWDAJCSUZNFPV-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
CCOCc1ccc(NC(=O)NNc2c(C)cccc2F)cc1	1116657156	WQTKIFIYRRMBHT-UHFFFAOYSA-N	317.364	3.819	50	20	DHGD	
C(CC[C@@H]1CCSS1)Cc1nnc(C2CCOCC2)o1	1255673105	IBRZEVKVLMVACE-GFCCVEGCSA-N	314.476	3.830	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(C)c(Cl)c2)CCO1	1319988089	USOKKSNCDYNIDE-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
C=CC[C@@H](C(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccc1	1321509828	ZCTMJHJDCZRUAG-OAHLLOKOSA-N	324.428	3.577	50	20	DHGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNc1c(C)cccc1F)C2	1342842636	MNNQDGQZPUFMDK-HNNXBMFYSA-N	316.401	3.603	50	20	DHGD	
CC(C)[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(C(=O)O)c1	1776094622	CQHUGHJWNOUAGI-DOMZBBRYSA-N	316.401	3.563	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1csc(C2CC2)n1)c1ccccc1	63275847	CZJIKWWSSFELOH-CDCQXCROSA-N	323.421	3.805	50	20	DHGD	
COc1ccc(Cl)cc1NC(=O)NNc1ccc(F)cc1	91984208	RGLSGVCQDBYLKS-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
Cc1nc(-c2cccs2)ccc1C(=O)NNc1ccccc1	121846688	RMDVMCGKNQTEFF-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1	155953254	PGLDNEGTHGLCDU-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CCCSC(C)(C)C)c1	161172085	DVKYWVWXEBUHEW-UHFFFAOYSA-N	314.426	3.589	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C/c1cccs1	181289784	LIIZDLNIJAGBGB-CMDGGOBGSA-N	309.394	3.761	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C/c1cccc(F)c1	181304039	DDKVGPGSYGMSEJ-MDZDMXLPSA-N	321.355	3.839	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	192772577	OJJIPCISBVJDKI-XNTDXEJSSA-N	317.348	3.990	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1cccs1	252621389	MXNIYWMSZUJJOD-UHFFFAOYSA-N	308.406	3.984	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cc(O)ccc2Br)n1	255865606	GZAFYQUBARGTOK-WMZJFQQLSA-N	321.199	3.984	50	20	DHGD	
O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1cccnc1	263628870	CZAYACYZJCEQFY-UHFFFAOYSA-N	317.348	3.638	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CC[C@@H](c2cccc(Cl)c2)C1	491079767	BKXGRONQVBGRBP-KZNDFDMYSA-N	318.804	3.536	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)c1ccccc1C	727672261	CQNVCXBZGQDNHK-CQSZACIVSA-N	304.434	3.753	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(F)c(F)c1	731153136	BUFFJCQWJZWBJB-UHFFFAOYSA-N	316.351	3.783	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@H]2CC2(C)C)c1C	732798059	URQWVRVXACCORZ-VHEJECIDSA-N	313.445	3.584	50	20	DHGD	
Cc1c(Br)cccc1C(=O)NN(C)c1ccccc1	743290813	BNKVMPQWUMODEE-UHFFFAOYSA-N	319.202	3.539	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccc(Cl)nc3)cc2C1	743818676	ILAJEPJBOWIOGY-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(C)cc1Cl)C1CCOCC1	745202722	ASSXVIDXSHDWGU-UHFFFAOYSA-N	323.824	3.963	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccc(Cl)cc2F)o1	747643853	RMQVSWKVKWDRRR-TVQRCGJNSA-N	320.751	3.959	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cc(Cl)nc3ccccc23)c1	748035297	OWSRWYCCDNSMKF-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1ccccc1F	748049425	YNGBHCNXQZZBSZ-ZENOOKHLSA-N	308.397	3.643	50	20	DHGD	
CCC(=NNC(=O)c1c(C)nc2ccccn12)C1CCCCC1	750919026	UVIDIBCLVBBITK-UHFFFAOYSA-N	312.417	3.719	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(C)CC2CCCC2)cc1OC	752717852	GCGBCUXYWJFJGK-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C[C@@H]1C[C@@H]1c1ccccc1	755701475	ZODKECRYJUOWFR-ZWKOTPCHSA-N	317.392	3.547	50	20	DHGD	
Cc1nc(C(=O)NNc2cccc(C(F)(F)F)c2)sc1C	770156642	LYFBSUXPBUYNDG-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
C[C@H](CBr)COC(=O)CCCc1cccs1	770326977	PBUNTMJCAXWROK-SNVBAGLBSA-N	305.237	3.645	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C1CC2(CCC2)C1	773105760	WOVGGAIWFXPKTH-NSHDSACASA-N	306.793	3.544	50	20	DHGD	
Cc1c(F)cccc1NC(=O)NNc1ccc2ccccc2n1	775652347	FGTLGTCRYAQPAG-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
Cn1cccc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	780374824	POXKTTJKVKTKSS-FMIVXFBMSA-N	304.271	3.834	50	20	DHGD	
C[C@H]1CCC[C@@H](C)CN1C(=O)[C@@H](Br)C(C)(C)C	781093168	DMAUIUVMNPUTHJ-GRYCIOLGSA-N	304.272	3.833	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc2cnccc2c1)c1ccccc1	782231806	SFTCWCZRYIHQQD-UHFFFAOYSA-N	317.392	3.663	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccn2)c(Cl)c1C	783607247	YVSRSJCXBLXEBB-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)Cn1cnc2ccccc21	788963002	GYCUJRDSBLNTTE-UHFFFAOYSA-N	312.417	3.665	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(OCC2CC2)cc1	790148872	GGTFPXVNYLYQEO-UHFFFAOYSA-N	308.381	3.548	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)c2ccc(C3CCC3)cc2)o1	790534074	KUXKATRQUAAATH-UHFFFAOYSA-N	324.384	3.694	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	798285043	SZLFORILBVNARU-TVYUQYBPSA-N	315.182	3.503	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C1CCC(C(F)F)CC1	799468786	ATNHOKMMABWDJI-UHFFFAOYSA-N	324.371	3.555	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)C2CCCCC2)cc1C(=O)OC	800791444	OUJKGQIYDDIRJW-UKTHLTGXSA-N	315.369	3.685	50	20	DHGD	
CC(C)CCC(=NNC(=O)c1cccc(N(C)C)c1)C1CC1	802705471	HUURUJWCCSXUBO-UHFFFAOYSA-N	301.434	3.685	50	20	DHGD	
ClCCCOc1ccc(CN[C@H]2CCOC3(CCC3)C2)cc1	811483763	KMGJNMSAPBJBDB-INIZCTEOSA-N	323.864	3.886	50	20	DHGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)OC(C)(C)C	814692406	BAGNRLJJFJKIDE-HOCLYGCPSA-N	318.417	3.850	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)Cc1ccc(Cl)cc1	814757051	KXMBQFSLRQRSBG-CQSZACIVSA-N	317.820	3.705	50	20	DHGD	
COc1cccc(CCC(=O)NNc2ccc(C(C)C)cc2)c1	837055160	BBRBMSVJBPCZGE-UHFFFAOYSA-N	312.413	3.895	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)N[C@@H]1CCC(F)(F)C1	838521429	WXLUETRGMUAOQA-SSDOTTSWSA-N	324.158	3.807	50	20	DHGD	
C[C@H](CNC(=O)NNc1ccccc1Cl)CC(F)(F)F	840438219	ZOEOKOJWJVQTER-QMMMGPOBSA-N	309.719	3.555	50	20	DHGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1cn(C(C)C)nn1	840722095	HCNCROBEOVIHNH-DHDCSXOGSA-N	320.400	3.854	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3c(O)cccc32)C[C@@H]1Br	851978394	LNCRLKTUJOOSLQ-VHDGCEQUSA-N	310.235	3.533	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1)OCC(F)(F)F	853427783	QMMSPSUKVVJKCQ-JGVFFNPUSA-N	320.233	3.629	50	20	DHGD	
CCC(=NNC(=O)OCC(F)(F)F)c1ccc(Cl)s1	853430272	CHLDNCMQLQVUDP-UHFFFAOYSA-N	314.716	3.804	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cnc2ccccn12	855734711	GHWMYMXEUMIWNG-LBPRGKRZSA-N	321.471	3.987	50	20	DHGD	
C[C@@]1(CNC(=O)C2CCCCCCC2)C[C@H]1Br	857399532	WZZCAMVEWYKEOT-OCCSQVGLSA-N	302.256	3.637	50	20	DHGD	
Cc1ccccc1OCCCC(=O)NNc1ccc(Cl)cc1	873970509	NNBUJZZLCNPPPS-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2ccc(F)c(F)c2)cc1C	885113398	ZABLWJZYNPBGAT-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)c(F)c1	901459449	PKIKZCPUHGTVEO-QPEQYQDCSA-N	303.333	3.525	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	915844672	YANHNAZNNSGTIB-VKAVYKQESA-N	317.392	3.664	50	20	DHGD	
CCO[C@H]1C[C@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	916092683	ZSGGRKCKVKSYBC-XCBNKYQSSA-N	323.607	3.515	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cc(Cl)ccc1Cl	916264318	KXDBGCWGVKGLQV-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
CC(C)C(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	916328590	RGJQPFTYGSPQDL-UHFFFAOYSA-N	319.408	3.951	50	20	DHGD	
CSCC1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC1	932589048	DKMYIXSPXWUNID-OMCISZLKSA-N	317.414	3.534	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1ccccc1Cl	1321219077	XMJFNOGUQLIMDW-UHFFFAOYSA-N	300.736	3.881	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cc(C)n(CC2CC2)c1C	1330908552	HFINZPZRQMQFBA-UHFFFAOYSA-N	315.392	3.719	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc(C)c1O	5129715	UEPICVWFJRPQFS-NTEUORMPSA-N	310.328	3.694	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)o1	8117473	HBOIHLIGMAEEOM-QEETYLAOSA-N	308.385	3.785	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(Oc2ccccc2)cc1	104203431	FYTAOJVSUANCNC-BUHFOSPRSA-N	308.337	3.861	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2ccc(Cl)cc2)cc1	120164408	NXXSDQCVKYDQMR-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1ccc(Cl)cc1	120282018	TYVYYJHSEBIIPY-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cnn(C(C)(C)C)c2)nc2ccccc21	128041951	VWDJLCDABIKMGV-ZROIWOOFSA-N	305.385	3.589	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2sccc2-n2cccc2)c1	150820149	ROQMOVNGAACSDM-UHFFFAOYSA-N	315.373	3.743	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2c[nH]c3ccc(F)cc23)c1	158713977	PVXIYEGZRGGTBC-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
COc1ccc(C[C@H](C)C(=O)NNc2cc(C)ccc2C)cc1	179488032	OLDBOABHJFTMOZ-HNNXBMFYSA-N	312.413	3.634	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C	180257538	JCSSAYUQVXHAHX-WQLSENKSSA-N	313.426	3.877	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)c3cnc4ccccc4n3)n2c1	191358953	UASAMKFYGPDUQV-RIYZIHGNSA-N	311.348	3.650	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(C#N)c2)c(C)c1	208307488	JZNKINGTEGMRNP-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)c1	255137015	NARCEVZHCGRXOX-CKYDQXAASA-N	322.364	3.957	50	20	DHGD	
CCc1ocnc1C(=O)NN(c1ccccc1)c1ccccc1	739466825	WKPDIMWJXMMAET-UHFFFAOYSA-N	307.353	3.720	50	20	DHGD	
Cc1cc(C)c(/C=C\C(=O)NNc2cccc(C#N)c2)cc1C	748046374	OUZJQFHTYNLAFZ-FPLPWBNLSA-N	305.381	3.640	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)c2nc(C)cs2)cc1OC	751445215	BEFTYCOUHABPMV-AWNIVKPZSA-N	300.383	3.841	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@@H]1CCCCC1(C)C	752275395	PDMCUVKXKKJTMC-AWEZNQCLSA-N	317.433	3.754	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2	755632775	SNIOKHSMYZQHED-ZVZYQTTQSA-N	304.393	3.697	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(N)cc1C	758119931	ZDTHDOIBWVBKIM-UHFFFAOYSA-N	317.392	3.884	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)C2CCCCC2)ccc1-n1cncn1	767735434	DKWFHGPEGSFPPS-LICLKQGHSA-N	320.396	3.632	50	20	DHGD	
C[C@@H]1CCC[C@H](C=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	768348925	CHIOKCKPSDAUKO-MCIONIFRSA-N	306.381	3.521	50	20	DHGD	
Cc1ccc2[nH]cc(C(=O)OC[C@@H](C)CBr)c2c1	770416290	VVMCENHUINOSES-JTQLQIEISA-N	310.191	3.664	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1nc2ccccc2cc1C	777481540	ACGMIWMEWKUDQB-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
Cc1cccnc1NNC(=O)CSc1ccc2ccccc2c1	791215454	RDIFMGUBBQJPRU-UHFFFAOYSA-N	323.421	3.779	50	20	DHGD	
C=C(CBr)CN1CCC[C@H](Nc2ccccc2)C1	791481061	DRAFTQCPOGOJGB-HNNXBMFYSA-N	309.251	3.514	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794886078	YYPLZEUGCKGEAO-LFIBNONCSA-N	316.364	3.802	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Br)o1	799761590	KOVUOFLEEXTBFC-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
O=C(O)c1ccc(O)c(C(=O)/C=C/c2cccc(CCl)c2)c1	799893320	XGJVUNYSMDNERH-GQCTYLIASA-N	316.740	3.725	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1ccc(F)c(F)c1F	802826966	RKDYLETYRUGZTR-UHFFFAOYSA-N	320.270	3.536	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	803109596	RNURONGNPJFHIO-RRFJBIMHSA-N	324.428	3.679	50	20	DHGD	
C=C(Br)CNCc1ccc(OCCCCl)cc1	811478099	ATJLSZNUESMCFX-UHFFFAOYSA-N	318.642	3.693	50	20	DHGD	
COc1cc(/C(C#N)=C/c2cccc(F)c2C#N)ccc1[N+](=O)[O-]	811692567	BFJIVDDJVUZVRP-NTUHNPAUSA-N	323.283	3.678	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc(F)c[nH]1	814692446	GKHLSMOZEKIYBI-UHFFFAOYSA-N	322.554	3.871	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1cnn(-c2ccccc2)c1	834958693	XIWZEQYDCNQZAK-UHFFFAOYSA-N	310.401	3.724	50	20	DHGD	
COCCCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379010	KVPNHUQODTWDDY-UHFFFAOYSA-N	324.730	3.619	50	20	DHGD	
CSC(C)(C)C(=O)NNc1nc2ccc(Cl)cc2s1	856237147	XACLUUJIBQGDQK-UHFFFAOYSA-N	315.851	3.534	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cc(F)ccn1	857313206	QAMRDRAGUAGKSH-LLVKDONJSA-N	300.424	3.873	50	20	DHGD	
CCC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCCCC1	857392564	AKJAQBBROHWEDQ-AAEUAGOBSA-N	302.256	3.637	50	20	DHGD	
COCCC1(C(=O)NNc2cccc(F)c2Cl)CCCC1	862508963	CWUGBQJXBGPFJB-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)Nc1cscc1Cl	880976043	AYAJMMMOOSUZGS-UHFFFAOYSA-N	323.809	3.608	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1	916222565	BHSFQZUHHUXHKX-BZUAXINKSA-N	312.417	3.543	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(Cl)c(Cl)c1	916264332	LUYYGWGOACICCM-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1cc(F)ccc1F)c1ccccn1	916787334	LDFMZPJWDRSJRS-CQSZACIVSA-N	320.343	3.527	50	20	DHGD	
O=C(NCC(F)(F)F)NN=C1CCCC[C@@H]1c1ccccc1	917552485	TVGFDBGTOQYMKI-GFCCVEGCSA-N	313.323	3.562	50	20	DHGD	
Cc1cc(NNC(=O)NCc2cc(C(C)C)no2)ccc1Cl	918767083	FUYKYJSVPYIETR-UHFFFAOYSA-N	322.796	3.586	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCCC[C@H]2C)c1	920431295	WLONMHSTKKREPC-ZIAGYGMSSA-N	319.474	3.529	50	20	DHGD	
O=C(N[C@@H]1CCOC2(CCCC2)C1)c1cccc(CCl)c1	1262614351	FGPINUNMLRNVTJ-OAHLLOKOSA-N	307.821	3.647	50	20	DHGD	
O=C(CCl)N[C@H](Cc1cccc(F)c1)c1cccc(F)c1	1319674118	FIVWUHOACXCDEP-OAHLLOKOSA-N	309.743	3.604	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCCC(F)(F)C2)cc1Cl	1325204198	QYSYXIBIJWTACF-JTQLQIEISA-N	302.752	3.917	50	20	DHGD	
COc1ccc2oc(C)c(C(=O)NNc3ccc(F)cc3)c2c1	45080487	AZHITAMGJBYUSI-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccc(F)cc3F)cc2C1	66326100	LIVOATXCJOAFTA-SECBINFHSA-N	322.380	3.908	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1cccnc1	72785289	FIHPGPPYBBGYSW-JSGCOSHPSA-N	310.488	3.973	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1ccccc1F	76106286	LRLLLNUSGFFWCR-YHYXMXQVSA-N	320.245	3.789	50	20	DHGD	
CSc1cccc(NC(=O)NNc2ncccc2Cl)c1	91984075	KXQGRPIRDJRKOL-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
CCCCCCCCCC(=O)NNC(=O)Nc1ccccc1	109353477	RMLYCAHQBGBZPA-UHFFFAOYSA-N	305.422	3.980	50	20	DHGD	
CCO[C@@H](C(=O)NNc1ccc(Cl)cc1)c1ccccc1	120236776	UDRFPWIDHYRYLM-OAHLLOKOSA-N	304.777	3.561	50	20	DHGD	
Cc1cncc(CNC(=O)CCCC[C@H]2CCSS2)c1	124949602	QUPLMHJSWFEVOK-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Cc2ccccc2Cl)cc1	151357533	BQGPWRYGEUQTBV-CYBMUJFWSA-N	302.805	3.970	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(-n3cccn3)c2)cc1	154278977	QETUKEDQZYTRIL-LDADJPATSA-N	313.360	3.971	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1	158880414	PCCAHMKAUBZLGS-HUUCEWRRSA-N	316.351	3.828	50	20	DHGD	
CSc1ccsc1C(=O)NNc1cc(F)c(F)cc1F	172090300	YBSOKFSVTVOBDB-UHFFFAOYSA-N	318.345	3.644	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc2c(F)cccc2[nH]1	178511197	HBJCXDIMYXMCKZ-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
CCN(Cc1cccs1)C(=O)/C(C#N)=C\c1ccc(F)cc1	181792755	ITJWGSJVNZAZAK-UVTDQMKNSA-N	314.385	3.843	50	20	DHGD	
CCC1(C(=O)NNc2nc(C(F)(F)F)cs2)CCCCC1	184355060	DLQSRBXKUJISKF-UHFFFAOYSA-N	321.368	3.966	50	20	DHGD	
CC(C)OC(=O)C[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	184498590	AMEXWTVTAQZERF-VHWUNXFSSA-N	312.413	3.605	50	20	DHGD	
CCSc1cccc(/C=C(\C#N)C(=O)Nc2nccs2)c1	184544415	HPLAQGKQYRNYFY-XYOKQWHBSA-N	315.423	3.801	50	20	DHGD	
C/C(C=NNC(=O)COc1cccc(C)c1)=C\c1ccccc1	252629653	UKWONKDWNFHSPZ-LMNDOFSMSA-N	308.381	3.579	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)CC(C)C)cc1OCC	255168612	ZFAGAVBBRHLRHF-WJDWOHSUSA-N	311.381	3.619	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)s1	588597345	HVRBEDKFNIZBLA-POHAHGRESA-N	305.305	3.825	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@H](CO)Cc2ccccc21	616672756	MFIGTHBZKVAYSC-OAHLLOKOSA-N	321.537	3.679	50	20	DHGD	
CCC[C@H](Cc1ccccc1)NC(=O)NN(C)c1ccccc1	727850572	GWBVVDVWJNMUSA-QGZVFWFLSA-N	311.429	3.748	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2CC[C@H](C)CC2)cc1	731022143	WTJPDWWEHUYEHH-PXGILKRNSA-N	312.413	3.687	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCC[C@H](C3CC3)C2)cc1C	737421959	XOLQFOLACJUENV-INIZCTEOSA-N	314.429	3.755	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccccc1O	740759992	HNJUPYYLUIGZKW-UHFFFAOYSA-N	310.397	3.911	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc2c(c1)COC2	743437163	AZTOUTUHIDDJOQ-UHFFFAOYSA-N	322.408	3.580	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3nc(C)c(C)nc3c2)c1	743975548	NDRRDMKCHCNEMV-UHFFFAOYSA-N	320.396	3.620	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(C(F)F)cc1	746704711	GXAMGTMTECCSMR-UHFFFAOYSA-N	316.229	3.798	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)c1nc2ccccc2n1C	747089500	FVXKEOIWPDNKJS-PTNGSMBKSA-N	303.365	3.955	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2ccc(Cl)cc2F)c1	747646763	QQGCSBLVJRCMBU-UHFFFAOYSA-N	304.752	3.860	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccccc1Br	748066000	LFYIKBSUMJCWRA-LLVKDONJSA-N	313.239	3.965	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccsc1	749099886	WGEOWYLKMWGNEK-UHFFFAOYSA-N	311.366	3.557	50	20	DHGD	
CCOc1ccc(C=NNC(=O)CC2CCCC2)cc1OCC	749447022	NFGSSMLWXDKQMJ-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
O=C(NN=CCCc1ccccc1)c1cccc(OC(F)F)c1	755700035	VFNISZUQZUTSMS-UHFFFAOYSA-N	318.323	3.636	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)s1	758414897	DXEWXEPPRLECHZ-SFPHSEHVSA-N	317.458	3.868	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761383456	APFFSCMGANWUPH-BJMVGYQFSA-N	315.175	3.812	50	20	DHGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)c1ccc(OC(F)F)cc1	776260112	XFMIYGUXAXXRIM-OQLLNIDSSA-N	324.286	3.950	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H]1CCCOC1	779995569	WMNHIYDKWFZDCM-BFHYXJOUSA-N	317.520	3.632	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc[nH]1	780845818	WYFGNIPYSFGGKR-GFCCVEGCSA-N	300.406	3.700	50	20	DHGD	
CCc1ccc(N(CC)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	786922091	XISHTTLGHZEILA-GHRIWEEISA-N	320.392	3.915	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CCC(C)C)c1ccc(OC)cc1	794198837	LTMCQBOZTQDENC-FYWRMAATSA-N	316.401	3.518	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C/C=C\c1ccccc1	794779827	OBNCNBJZXNHRSI-JDNUOLIOSA-N	314.772	3.778	50	20	DHGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)[C@H]1CCCOC1	794883010	JIRJDTWWFZHWQS-DHFUWRPHSA-N	316.209	3.958	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@H](C)C2	794955063	UAQBHKDJOCMYBW-AZZDOICSSA-N	313.397	3.931	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC1CCC(F)(F)CC1	799612511	MGTFMEBFLJIQQR-UHFFFAOYSA-N	311.376	3.761	50	20	DHGD	
Cc1n[nH]cc1C(=O)NN=C1CCCC[C@H]1C1CCCCC1	814852465	ZXLUZCZVTRBQRU-AWEZNQCLSA-N	302.422	3.574	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C(C)C)nc1C	816164477	YNBSXNITMZIRFK-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC12CCC2	816798509	OIOPMLDYVDIKEW-MJSCBBHESA-N	312.388	3.770	50	20	DHGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1ccc(Br)cc1	824209764	WZJFVLXQTRPGMX-GXFFZTMASA-N	311.223	3.719	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1C(C)C)c1ccccc1	827184942	JVFFSGSTMKSZSK-MRXNPFEDSA-N	324.424	3.765	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1cc(F)ccc1Br	839879128	PMAMGTQPAIPSOJ-VQHVLOKHSA-N	315.186	3.778	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccc(CO)cc1	844344076	QERVEBWMCRXWNJ-UHFFFAOYSA-N	309.526	3.633	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1C1=CCCCC1)c1cccc(F)n1	853442649	AMGLWUYOBBSYOY-AWEZNQCLSA-N	315.392	3.997	50	20	DHGD	
CCCN(NC(=O)CC1(C#N)CCCCC1)C(=O)OC(C)(C)C	854433099	WZOLHVYRGUGOBH-UHFFFAOYSA-N	323.437	3.529	50	20	DHGD	
C#CCCCCC(=O)NNc1nc2ccc(Cl)cc2s1	856234860	JWHZKVAORLEICP-UHFFFAOYSA-N	307.806	3.586	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccc(F)c(Cl)c1	863082651	PEHWETXTSCHVBC-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cn1c(NNC(=O)c2ccc(C(C)(C)C)cc2)nc2ccccc21	864289126	XIKZCOAUVNWEMM-UHFFFAOYSA-N	322.412	3.628	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2nccc3ccccc23)CC1	868372843	DXVWQGKZGHZHTE-UHFFFAOYSA-N	323.223	3.529	50	20	DHGD	
O=C(CCCOc1ccc(F)cc1)NNc1ccccc1Cl	874350100	KAKWEVDKXINRMO-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
Cc1cc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)ccn1	912582118	LTCXPAKINITDPU-OAHLLOKOSA-N	320.509	3.626	50	20	DHGD	
CCN(C[C@H](C)C#N)C(=O)CCCC[C@H]1CCSS1	919884110	LCRJSBOVKHZPEB-OLZOCXBDSA-N	300.493	3.709	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc2ccc(F)cc2s1	921235163	IPHLISYUUNQSBD-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-c2cccs2)s1	1116766037	LQFJLKBMWUCIEO-UHFFFAOYSA-N	315.423	3.937	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3ccccc3C)n2c1	1324156315	PSJCXMNGNYGZKE-OQLLNIDSSA-N	301.349	3.741	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1cccc2ncccc12	1344746742	ZEBRPNHZFNAJBD-UHFFFAOYSA-N	321.355	3.722	50	20	DHGD	
O=C(NCC1(c2ccc(F)cc2)CC1)C1CCC(Cl)CC1	1345634074	YZQAITOKQKEBOQ-UHFFFAOYSA-N	309.812	3.771	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1[C@H](O)c1ccccc1	1520374823	VPWBPLCNKJRNRN-SJJHQCBESA-N	321.848	3.509	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(F)c(C(=O)O)c1	1595695059	OIBFCLBPPMSACY-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)NCc1ccco1	43079064	KMTVZFBZPVYCEJ-KPKJPENVSA-N	320.270	3.522	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(-c2cccs2)c1)C(=O)NC1CC1	54896820	VAKFXTWKVRBOAV-XYOKQWHBSA-N	312.369	3.740	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCCC1	93545320	GYNDOLHRIUIMTF-UHFFFAOYSA-N	320.824	3.656	50	20	DHGD	
CC(C)(C)C(=O)NNc1ccc(Br)cc1Cl	104122408	YSDVXMXXCDHAAK-UHFFFAOYSA-N	305.603	3.592	50	20	DHGD	
CSCc1ccc(C(=O)NNc2ccnc3ccccc23)cc1	106924216	PASJSEVRIKKSJI-UHFFFAOYSA-N	323.421	3.855	50	20	DHGD	
CCN(C[C@@H](C)CBr)[C@@H](C)c1cccc(O)c1	133866528	SSXMRQKMWQSZME-RYUDHWBXSA-N	300.240	3.806	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@H](C)c2ccccc2F)c1	150846308	IIMZUURXGLWZGE-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2coc(-c3ccccc3)n2)c1	158865163	IJRODNOWFUYGGY-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	162956170	BQLDDUYNEALGOT-ZDUSSCGKSA-N	313.357	3.622	50	20	DHGD	
CC(C)c1ccc(CN(C)S(=O)(=O)CCCCCl)cc1	163391832	PMTWDRDANSOHTH-UHFFFAOYSA-N	317.882	3.591	50	20	DHGD	
CCCOCC(=O)Nc1c(CC)cc(SC#N)cc1CC	175625012	WPZBQRQEACMPPS-UHFFFAOYSA-N	306.431	3.750	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	178955208	NYEGXEWCYLYKST-ZHACJKMWSA-N	313.357	3.508	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccncc1	179513721	WTXUTQZSDHLRBA-FMIVXFBMSA-N	317.270	3.646	50	20	DHGD	
C=Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cn2)cc1	186307407	FSRAFYOTRLMAHK-UHFFFAOYSA-N	307.275	3.500	50	20	DHGD	
CC(C)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)C1=CCCC1	491107577	VVCADQOJFUDFDV-PTNGSMBKSA-N	310.397	3.552	50	20	DHGD	
O=C(CC1CCCCC1)NNC(=O)c1cccc2ccccc12	727348369	AVNUYYJOTVTCDL-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)CNc1ccccc1	731923583	TWPFIMHZHSRJOJ-UHFFFAOYSA-N	309.413	3.532	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1	732761654	LMRUCMNQFIOVID-BXUZGUMPSA-N	307.353	3.648	50	20	DHGD	
CC[C@@H](C(=O)NNc1nccc2sccc12)c1ccccc1	734250459	VCVFUVGXMSMPMR-CYBMUJFWSA-N	311.410	3.933	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)c1	735614833	FWDSHBWLGWIVLB-KRWDZBQOSA-N	317.392	3.687	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)COCc1ccccc1	737438808	JMCWVGASIGOBJH-UHFFFAOYSA-N	324.424	3.637	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCCc2c(O)cccc21	743439253	WQZBXDIYYKHPMZ-UHFFFAOYSA-N	322.408	3.572	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C(C)(C)C)on2)c(C)c1	743762062	KQKDAKUYZOPVIB-UHFFFAOYSA-N	301.390	3.654	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(F)c(O)c(F)c3)[nH]c12	749894517	QKNGTUITSIOPAL-WZUFQYTHSA-N	311.291	3.919	50	20	DHGD	
CC1(CC(=O)NNc2cccc(C(F)(F)F)n2)CCCCC1	753805770	LJXFCPPGUWQSKA-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccc(C)nc2)c(Cl)c1	764910986	XUKKXLYNAUKBKI-UHFFFAOYSA-N	302.765	3.507	50	20	DHGD	
CC[C@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768167670	WDWZASULHAHNOC-NWDGAFQWSA-N	304.272	3.835	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ncc(Cl)cc2Cl)CC1	775265584	RAYLVJVVRLJKLI-UHFFFAOYSA-N	314.216	3.968	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNc2ncccn2)c(C(C)C)c1	775482368	WMYMFYQROALAHF-UHFFFAOYSA-N	313.405	3.872	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNc1ncncc1Cl	781830862	YHNIHARBQSFOFI-GFCCVEGCSA-N	310.829	3.570	50	20	DHGD	
C[C@@H](C=NNC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1	788991198	GAGYISKLPVDJLT-JTQLQIEISA-N	300.324	3.957	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)CC(C)C)c(Br)c1	794690709	IZLJTZGRGQCKAU-KPKJPENVSA-N	322.202	3.980	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1C[C@H]2CC[C@H]1C2	798142981	VCXRKFXCBLIHNV-SDDRHHMPSA-N	322.840	3.523	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1occ2c1CCC2	803190328	QDEFKVKEVKWULW-UHFFFAOYSA-N	311.168	3.832	50	20	DHGD	
C[C@@H](CBr)CNC1[C@H]2CC[C@H]1Cc1ccccc1C2	805764250	AGXCAGJJRILLEK-RCBQFDQVSA-N	322.290	3.801	50	20	DHGD	
N#CSCCCNC(=O)C1(c2ccc(F)cc2)CCCCC1	808025503	MSWVIPPHWXIBTP-UHFFFAOYSA-N	320.433	3.748	50	20	DHGD	
COC[C@@H](C)[C@H](C)C(=O)NN(c1ccccc1)c1ccccc1	812823878	MGTYFXFYYIBHGI-CVEARBPZSA-N	312.413	3.775	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccsc2C)c2ccccc2n1	814714185	VJMJQWIUGOMSTC-UHFFFAOYSA-N	309.394	3.677	50	20	DHGD	
Cc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2Cl)cn1	814996036	JQCVKTOWNUBYHP-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
CN(NC(=O)Nc1ccc(SC(C)(C)C)c(F)c1)C1CC1	824359142	DZWOPNUGPXXGKL-UHFFFAOYSA-N	311.426	3.847	50	20	DHGD	
CCOC1CCC(=NNC(=O)c2ccc(Cl)cc2F)CC1	853314820	VHCZQNBFZJVICF-UHFFFAOYSA-N	312.772	3.544	50	20	DHGD	
CC(C)c1ncc(CNC[C@@]2(C)C[C@H]2Br)s1	856806868	ILTLTENECDYFMM-ZYHUDNBSSA-N	303.269	3.530	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1ccnc(C2CC2)c1	859632445	ANGVPXSISPBIKM-ZDUSSCGKSA-N	324.218	3.537	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)c(Cl)cc1O	865221991	MMJAPLOVDAUIRG-SDQBBNPISA-N	305.761	3.720	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)cc1O)c1cccc(Cl)c1	917555971	JXVDCGZVBRKYBY-UHFFFAOYSA-N	316.788	3.898	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc2c(c1)CCC(C)(C)O2	920361632	SYTIWBKNQZZJCD-UHFFFAOYSA-N	304.390	3.649	50	20	DHGD	
CCOc1ccc(C(CC)=NNC(=O)[C@H](C)CC)cc1OCC	920830052	WMNIKWLQYCRPPB-CYBMUJFWSA-N	320.433	3.760	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H](c1ccccn1)C1CC1	925534279	UKXVSRGCALSDRB-OAHLLOKOSA-N	316.792	3.512	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1C[C@@H](C)c2c(C)ccc(O)c21	1115821419	KWUHYWCBDOPTAS-CYBMUJFWSA-N	308.381	3.650	50	20	DHGD	
C[C@@H]1c2ccc(Cl)n2CCN1C(=O)C1CCC(Cl)CC1	1123879538	FNAPGKFLWTZYIY-VOMCLLRMSA-N	315.244	3.842	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC2(CCC2)[C@H]1c1cccnc1	1263858069	VEOLTEBAORACCG-AVVWSFFYSA-N	318.848	3.933	50	20	DHGD	
CC(=NNC(=O)c1cncn1-c1ccccc1)C1CCCCC1	1317707777	ZNEQJMQDRFTSBM-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC2)c1ccccc1	1319113510	UBTZDFYNLFTOGS-HYTQYMIGSA-N	316.404	3.960	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1ccc(Cl)c(F)c1	1324658329	RAEZBLSFXOKXGS-SNVBAGLBSA-N	307.756	3.866	50	20	DHGD	
COc1ccccc1[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347756349	YRGIVBNYYWVCDD-SHARSMKWSA-N	321.848	3.809	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(F)c(C(=O)O)c1	1595695057	OIBFCLBPPMSACY-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776751332	QJVVALUDJQWQSW-JTTRITNRSA-N	307.296	3.575	50	20	DHGD	
CCCCC[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	36900416	DAORULFWQZZSEB-CYBMUJFWSA-N	317.882	3.715	50	20	DHGD	
C[C@@H](N(C)S(=O)(=O)c1ccc(CCCl)cc1)C(C)(C)C	37842576	WKVKOPQSZFAWQN-GFCCVEGCSA-N	317.882	3.523	50	20	DHGD	
Cc1noc([C@@H](C)OC(=O)CCCC[C@@H]2CCSS2)n1	78824705	HQFJNJBLBHCYIB-MWLCHTKSSA-N	316.448	3.696	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2)cc(Cl)c1O	82068001	NTJBJIDRLCVZCB-QPEQYQDCSA-N	313.740	3.844	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)c1cccs1	120327472	UKQMPYBLOOCRRI-GFCCVEGCSA-N	300.427	3.874	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ncc(Cl)cc2Cl)C1	132897564	AGNYUPIDEWKCMM-DTWKUNHWSA-N	302.205	3.658	50	20	DHGD	
CC[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n([C@H](C)COC)c1C	150723562	WZXQCFJUJHXKNA-HRUOQZLXSA-N	318.417	3.561	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccccc1Cl	158466224	YQRGFPRADJODST-WDEREUQCSA-N	306.818	3.957	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1	159047060	MCYVTFBMHCBZMJ-STQMWFEESA-N	316.351	3.828	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)c1ccsc1	176676362	ZBRRZMBMNHLQJH-XNTDXEJSSA-N	313.378	3.563	50	20	DHGD	
Cc1ccnc(NNC(=O)CCCC[C@H]2CCSS2)c1	176775026	QFUIZGLWKZTCHR-LBPRGKRZSA-N	311.476	3.547	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1nc2ccc(OC)cc2cc1C	189182114	DTAYQRJFYMENLF-SFHVURJKSA-N	313.401	3.597	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(NC(=O)C(F)(F)F)c1	263663959	KPXUMBIVWGVORT-QVIVLVACSA-N	324.302	3.710	50	20	DHGD	
CCc1cc(NC(=O)CCCC[C@@H]2CCSS2)n(C)n1	265354125	KUKPWDYOCMBEMZ-GFCCVEGCSA-N	313.492	3.635	50	20	DHGD	
CSSCCNC(=O)c1c[nH]cc1-c1ccc(C)s1	285669312	KNQGEGMPFBXARK-UHFFFAOYSA-N	312.485	3.793	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)C(C)(C)F)c(C2CCCCC2)n1	295909538	MAWFMNWENLAJJS-UKTHLTGXSA-N	303.381	3.692	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)ccc1C#N	491160678	MBQVMIUDLWPHKL-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
Cc1ncc(/C=C/C(=O)NNc2ccc(C(C)C)cc2)s1	492983758	JUSLCTWZRGMMOQ-CMDGGOBGSA-N	301.415	3.731	50	20	DHGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)c1cnc2ccccc2n1	588580089	ATPVFYORBOTXSM-WQLSENKSSA-N	303.369	3.715	50	20	DHGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCO2	727250849	YQGAYAIXQHWHTQ-CYBMUJFWSA-N	316.401	3.737	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccccc1OC(F)(F)F	730950449	CZWXWTGURNLNQF-UHFFFAOYSA-N	316.323	3.862	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CCC[C@@H]1c1ccccc1	732528788	YYLBNHIINILTMV-QGZVFWFLSA-N	322.408	3.678	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccccc2Cl)cc1	734304774	WHEVZUZRAMEQCO-YBEGLDIGSA-N	310.784	3.872	50	20	DHGD	
C[C@@H](CNC(=O)NNc1ccc(OC(F)F)cc1)C(C)(C)C	734673569	MMWWNQPZLVMXDC-JTQLQIEISA-N	315.364	3.596	50	20	DHGD	
CCS[C@H](C(=O)NNc1cccc2c1CCCC2)C(C)C	748588006	GERJHVMSVAVRJU-INIZCTEOSA-N	306.475	3.786	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCOc2ccc(C)c(C)c2)c1	748785309	NOVKRYDKMXSUKB-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CC(C[C@@H]1CCOC1)=NNC(=O)CC12CC3CC(CC(C3)C1)C2	751522672	QTVBYIJLRJPCJU-ISOUWHGUSA-N	318.461	3.512	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c2[nH]ncc12	751724868	FGDWYMVZYTZLEU-JYRVWZFOSA-N	320.327	3.556	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)CCC(C)(C)C)o1	755199529	UVNJMSRKLZJFDH-NSHDSACASA-N	306.410	3.575	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C[C@@H]1C[C@H]2C=C[C@H]1C2	755567353	VQKJQTWUNHLVNR-IHRRRGAJSA-N	318.417	3.622	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1cnnc2ccccc12)C(C)C	755801860	AONMNWHRSZABQV-AWEZNQCLSA-N	314.433	3.925	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1Cl)c1ccc[nH]1	758098820	DVALAGXEIGEHKD-GFCCVEGCSA-N	301.777	3.722	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@@H](C)C2CCCCC2)c1	759328433	OHQXXTMHBLCOTG-GFCCVEGCSA-N	308.397	3.884	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C(F)(F)c2ccc(F)cc2)c1	760147312	IPMZFILCEJHZBD-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)c1cc2ccccc2o1	763356943	CJZDFZJVEDXTFL-UHFFFAOYSA-N	321.311	3.817	50	20	DHGD	
Cc1cc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)o1	767897366	YPMGZDHKXWDONA-UHFFFAOYSA-N	300.402	3.563	50	20	DHGD	
CC(C)CC1(CNC(=O)[C@H](Br)C(C)(C)C)CC1	768254397	XCPLCKMCHAYMTF-NSHDSACASA-N	304.272	3.739	50	20	DHGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)c1	771520761	MUTZDTGIDMHULU-LFIBNONCSA-N	319.360	3.865	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)NNc1c(F)cccc1F	775523497	IWMFCABWGZFGLB-UHFFFAOYSA-N	321.327	3.821	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCc2c(Cl)cccc21	778446980	NDHQCUWZSKTDIC-GFCCVEGCSA-N	322.195	3.562	50	20	DHGD	
CCN(Cc1ccccc1)C(=O)[C@@H](Br)C(C)(C)C	781071152	RWWMVENBUYASAW-CYBMUJFWSA-N	312.251	3.845	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)NC1CCCCC1	783511525	HOIBWAZZVGPPPN-SNVBAGLBSA-N	305.344	3.727	50	20	DHGD	
C/C(C=NNC(=O)c1ccccc1C)=C/c1cccc([N+](=O)[O-])c1	787152355	GPAOBEWJPQMOQJ-SOLKCNCLSA-N	323.352	3.722	50	20	DHGD	
Cc1ccc(C(=O)OC[C@@H](C)CBr)c(F)c1Cl	789065648	NCJYWZUEXALQCJ-ZETCQYMHSA-N	323.589	3.975	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1cccc(F)c1[N+](=O)[O-]	791075223	CYCQYVQKKNNQBM-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
C=C(CBr)CN1CC[C@H](Cc2ccccc2)[C@H]1C	791472891	IKBVQAGYNSBGHA-GDBMZVCRSA-N	308.263	3.891	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCC(F)(F)C1	794912786	NVUHGMCEBZXGIF-MRVPVSSYSA-N	308.250	3.584	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797399663	VRPUXNLDCNBDQH-WEVVVXLNSA-N	306.822	3.892	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](c3cccnc3)C2)c(O)c1	799875989	IGBHONIGYPDVBB-CQSZACIVSA-N	323.396	3.539	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(C)c1	810216328	SXMMSBGKIHQJDL-VBKFSLOCSA-N	300.402	3.607	50	20	DHGD	
COC1(COC(=O)CCCC[C@H]2CCSS2)CCC1	811177192	LXLJINNYHKZZGM-LBPRGKRZSA-N	304.477	3.813	50	20	DHGD	
CCN(Cc1ccc(OCCCCl)cc1)C[C@H]1CCCO1	811458525	UXSATLWWISDNBX-QGZVFWFLSA-N	311.853	3.695	50	20	DHGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1cccnc1	811472467	HOBQZCPHOUZRJA-CQSZACIVSA-N	304.821	3.940	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnc2onc(C)c2c1	812769807	VYAZFBDKUNBOKD-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
C=C(CNC(=O)[C@H](Br)C(C)(C)C)c1ccccc1	813624312	XPSLPRRNXSVDQK-ZDUSSCGKSA-N	310.235	3.626	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(C)nc1C	814833553	LUOVGUCJNGLONO-UHFFFAOYSA-N	309.413	3.562	50	20	DHGD	
Cc1cc(F)c(/C=C(/C#N)c2nnc3n2CCCCC3)c(F)c1	818995558	DCTRNFJOYHYXDF-XFXZXTDPSA-N	314.339	3.655	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(Oc2ccccc2)cn1	834940207	HPIJZPLLKOJAOJ-UHFFFAOYSA-N	311.385	3.760	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C(C)(C)C1CCC1	840545667	YSJJYKYHDJOEQX-UHFFFAOYSA-N	310.829	3.523	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CCCCCO)C1	844335595	GEBKZUDLTRLEQH-HNNXBMFYSA-N	301.547	3.635	50	20	DHGD	
C[C@H](O)CCCN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844348936	GTCYWTZFTVSHLH-LSDHHAIUSA-N	301.547	3.634	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	848084110	VJOZWHVZYLLFPL-WDEREUQCSA-N	306.620	3.706	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1cncc(Cl)n1	853694332	NVKCXOVMGWLWCQ-UHFFFAOYSA-N	301.894	3.588	50	20	DHGD	
Cc1nc2c(s1)[C@H](NC[C@@]1(C)C[C@H]1Br)CCC2	857082358	MVXUDKPSZCMZBG-IRUJWGPZSA-N	315.280	3.592	50	20	DHGD	
CC(C)(C)SCCCC(=O)NC[C@]1(C)C[C@H]1Br	857392368	BCBNDKXIUQRLQA-MFKMUULPSA-N	322.312	3.588	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1c(F)cccc1F	859450604	IVFHGHJBRNGORM-SECBINFHSA-N	319.145	3.543	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(C2CC2)[nH]c1C1CC1	861734652	ICMJRURCIAIFTN-UHFFFAOYSA-N	301.217	3.645	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cncn1CC	901418883	RAFFKBJOAUDMLY-YBEGLDIGSA-N	322.412	3.573	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1OC(F)F)c1ccccc1	915933767	HTZVDQCJMKICAL-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Oc2cc(C)ccc2Cl)cc1	916998324	QUNQADZTUUCMKP-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
CC(C)n1c([C@@H]2CCCN2C(=O)CCl)nc2ccccc21	1116437488	FBFKKKXLLUQBDX-AWEZNQCLSA-N	305.809	3.520	50	20	DHGD	
CCS[C@@H]1CCC[C@@H]1NC[C@H](CBr)C1CC1	1329805885	KNIYRYJSQSSOSK-RWMBFGLXSA-N	306.313	3.671	50	20	DHGD	
C=C[C@H](CC(=O)NNc1cccnc1Cl)c1ccccc1	89505964	NEKMGPYSSQNXLT-GFCCVEGCSA-N	301.777	3.538	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc(-n3cccc3)c2)c1	120372866	FXZLIKNFOFWYGN-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	155810898	YNFBIPGEDFEFRU-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175497937	LCHUOBKGFDISAA-JXMROGBWSA-N	306.287	3.651	50	20	DHGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)NNc1ccccn1	180698557	JNJIMWPJHMWNAQ-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1C	194520004	WQPFDICFDSXSTH-XNTDXEJSSA-N	303.365	3.955	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1nc(C(C)C)oc1C	285697351	CPDCFEMLIZQLCM-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c(C)noc1C	490549320	HADOEDCBXQBQOX-MHWRWJLKSA-N	323.396	3.962	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cnc1Cl	490725106	DNSQNCLNZGJPMS-ZROIWOOFSA-N	317.820	3.742	50	20	DHGD	
CCOc1ccc(C=NNC(=O)C(C)(C)c2ccccc2)cc1	731151465	ZWPLKUGOOXHXSI-UHFFFAOYSA-N	310.397	3.513	50	20	DHGD	
CC(C)n1ccc(C(=O)NN(c2ccccc2)c2ccccc2)n1	733088676	UALGLWHBZZHIGZ-UHFFFAOYSA-N	320.396	3.947	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)C(C)(C)c1ccc(F)cc1	734977473	UMARMZPPMYDKEK-UHFFFAOYSA-N	314.360	3.615	50	20	DHGD	
CCC(COC)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	735972826	VBIWUTZVCXLNIN-UHFFFAOYSA-N	320.389	3.696	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccc2ccccc2n1	737414424	XUFSFOYNBRJDID-HNNXBMFYSA-N	307.397	3.921	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C(C)C2CCC2)cc1OC	747630103	MEGPJBAXHHLDLT-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)[C@@H](C)c1nc2ccccc2s1	748777417	AMWCYJXNLSYPCF-LLVKDONJSA-N	324.409	3.601	50	20	DHGD	
CC1(C)CCC(C=NNC(=O)CCc2ccccc2O)CC1	764686337	GYVNAXRGAXVSIO-UHFFFAOYSA-N	302.418	3.643	50	20	DHGD	
C[C@@H](CCc1ccco1)NC(=O)[C@@H](Br)C(C)(C)C	766978065	NVBJOJHDKVFDBQ-CMPLNLGQSA-N	316.239	3.527	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCc2cccc(F)c21	768295075	RVNUCADHZVXLEV-GFCCVEGCSA-N	314.198	3.524	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768332954	ZUSSJLZLNPLIIG-GFCCVEGCSA-N	323.393	3.653	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(OC2CCCC2)nc1	769998254	DHOCAYPTQRQLHC-UHFFFAOYSA-N	312.373	3.552	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccccc2)c(-c2ccccc2)n1	771518849	ASOCFYXXTXHBJQ-ATVHPVEESA-N	313.360	3.877	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccnc(Br)c1	771537366	LNFNDFDRIVIDBN-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)CCc1ccccc1F	771713976	RMCTWDAQPXKZQF-ZDUSSCGKSA-N	318.367	3.985	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2cccc3ccccc23)c(F)c1	772845245	PHCHLTSRYWBYRV-UHFFFAOYSA-N	317.323	3.614	50	20	DHGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1cc(Cl)ccc1Cl	773460412	ZJGPWGNEZGDQFZ-VIFPVBQESA-N	318.248	3.603	50	20	DHGD	
COCC1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CC1	778526569	XUJLOWKLBHWUIR-UHFFFAOYSA-N	323.607	3.517	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2c(F)cccc2F)cc1	779265915	XJKIMSYSCCFAGZ-ZROIWOOFSA-N	313.303	3.924	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCCCN2CCCC2)cc1	781042245	XUMXCWFXJCCQHX-UHFFFAOYSA-N	317.477	3.693	50	20	DHGD	
Cc1ccc(CCCC=NNC(=O)CC(F)(F)F)cc1C	783833031	NVUSLQKGKWNHGI-UHFFFAOYSA-N	300.324	3.681	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	787144672	KVBYXMIIUUZWLR-UHFFFAOYSA-N	303.362	3.527	50	20	DHGD	
CCCCC[C@@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	787442709	MTAOKDMRABUWQJ-HJUDDPQBSA-N	312.413	3.870	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2cccc(C(F)F)c2)c1	790883304	WEQGVYSKOZIVMH-UHFFFAOYSA-N	308.303	3.758	50	20	DHGD	
C=Cc1ccc(CCNC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	794382464	IECWWWWWFXLHFM-QGOAFFKASA-N	320.367	3.735	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)CCc1ccccc1O)c1ccccc1	794507296	HKYCDHKQZSRXNU-GOSISDBHSA-N	324.424	3.867	50	20	DHGD	
C[C@H]1CCCCC1=NNC(=O)COc1ccc2ccccc2c1	794777032	MGYVRVURNKGXPB-AWEZNQCLSA-N	310.397	3.901	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)[nH]1	797406060	AJIXDQBZHJXLLT-JXMROGBWSA-N	315.398	3.619	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnc2ccsc2c1	799755411	DOEKIJRGVOVJTG-UHFFFAOYSA-N	311.410	3.924	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCC23CCC3)cc1OC	799872250	NUTISHNTJRHBSO-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1C(=O)OC	800791950	YFTIDLHXQZYRON-ZROIWOOFSA-N	323.348	3.727	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)ccc1C#N	809145796	GIDSPSIAHGEHFO-GIJQJNRQSA-N	316.360	3.974	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CC[C@H]3CNc4cccc2c43)cc1	814744866	BCTYNXDNAXRBRU-HNNXBMFYSA-N	319.408	3.686	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@H]1C1CCC1	814790018	MTCCSJQEDREGOR-LBPRGKRZSA-N	306.793	3.645	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3ccccc3c2O)cc1	817915594	PHBXWVCIXMMRGG-UHFFFAOYSA-N	322.364	3.701	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc2ccccc2cc1O	825286152	DPKMUNXSHJKCJM-UHFFFAOYSA-N	312.756	3.956	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccccn2)c2cc(C(=O)O)oc12	832272817	ISZYUHTVRUTRMI-XYOKQWHBSA-N	320.304	3.599	50	20	DHGD	
CCOc1ccc(Cl)c(NC(=O)NCCSSC)c1	836718387	QRZQUCPAMAVTOT-UHFFFAOYSA-N	320.867	3.871	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(NC(C)C)nc2)c(Cl)c1	836935900	VGRBMLRKPOZNOG-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)c1cccc(C2CC2)c1	838625095	BLRQYRPICHATNZ-ZDUSSCGKSA-N	320.396	3.823	50	20	DHGD	
Cc1cc(F)c(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)c(Cl)c1	840719595	LGBYIWQKPAWMEB-HBZGRHIISA-N	307.752	3.690	50	20	DHGD	
CC(C)(C#N)CC(=O)NNc1ccccc1Cc1ccccc1	846460832	GLHFADSNRSCXKF-UHFFFAOYSA-N	307.397	3.660	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1cc(F)c(F)c(F)c1	851902900	UMFQHSWHMDVOTH-LCHGKGQCSA-N	322.168	3.928	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2[C@H]3CC[C@H]2CC(C)C3)cc1	856245327	XCBPILOCAGMMDO-VMPFUQBJSA-N	324.424	3.782	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc2c(c1)COC2	857082126	LODJRXGADNGMLF-LKTVYLICSA-N	310.235	3.541	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NC[C@@]2(C)C[C@@H]2Br)cc1	857401679	MHJVZHSRVIXAJF-HZUKXOBISA-N	324.262	3.642	50	20	DHGD	
Cc1ccc([C@H](C)C=NNC(=O)CCc2ccccc2O)cc1	863092290	NPZVIUQDKSVMBT-OAHLLOKOSA-N	310.397	3.539	50	20	DHGD	
Cc1nn(-c2ccc(Cl)cc2)c(Cl)c1C=C(C#N)C#N	915839870	CNZRVLAZEYZLRL-UHFFFAOYSA-N	303.152	3.918	50	20	DHGD	
CC(C)C(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916327375	JPZJKJYEXIDRHM-UHFFFAOYSA-N	307.806	3.570	50	20	DHGD	
CCCC(CCC)=NNC(=O)Cn1c(CC)nc2ccccc21	916328721	OOOGDSLNMKCCIT-UHFFFAOYSA-N	314.433	3.671	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](CC(C)(C)C)c1ccccc1	917600735	ABZABDBADZTKHD-MDJJKAFGSA-N	300.402	3.724	50	20	DHGD	
CCNC(=O)CNCc1cccc(S(F)(F)(F)(F)F)c1	921488660	DLOKOQCXHGWDPA-UHFFFAOYSA-N	318.311	3.570	50	20	DHGD	
COc1cccc(C2(NC(=O)C3CCC(Cl)CC3)CC2)c1	1346843173	MOCCKEAKFKNYKS-UHFFFAOYSA-N	307.821	3.598	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(F)ccc1F	98008577	RLXAINFBPFDNKG-WYRUSDGCSA-N	304.340	3.567	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc2ccccc2s1	114886450	QXWJZWWYHAPWHE-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNc1ccc(Cl)cc1	119997302	XEPOICHVRYQHAK-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(Cl)ccn1	133396404	LDRNSBAXIFNRBN-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CCCc2sccc21	137184115	BXGVPCQGBVFOLH-ZDUSSCGKSA-N	306.818	3.965	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)cc2Cl)cc1	155339628	SHMZSLAGFLXUSA-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1ccc(Cl)c(F)c1	175423390	JZFIGNZUKZEBMJ-UHFFFAOYSA-N	320.751	3.801	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccncc1)c1cccc(Cl)c1	180541469	FMDPAIGKPCZVNI-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cc(C(C)C)nc2onc(C)c12	192927784	TWXJZCLFISZFHV-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc3nccn23)c1C	255132372	IDJDNCVSPLJOTD-PTNGSMBKSA-N	301.349	3.741	50	20	DHGD	
CSSCCNC(=O)C[C@H](C)c1c[nH]c2ccccc12	284132077	PFGAZSWQCBUXCO-NSHDSACASA-N	308.472	3.789	50	20	DHGD	
FC(F)(F)c1cc(Br)ncc1CBr	306942170	SBEAFCJTBVAGGW-UHFFFAOYSA-N	318.918	3.758	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(C)nc1)c1ccccc1	490692694	HOBNAABWNUNPEC-ZKTNYTPDSA-N	305.381	3.565	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2C#N)cc1	491128537	DPCXUNBXDUAURT-ZROIWOOFSA-N	305.312	3.551	50	20	DHGD	
O=C(/C=C\c1cccnc1)NNc1cc(Cl)ccc1Cl	493793400	QWHNOMRXEAGVRA-UTCJRWHESA-N	308.168	3.545	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)COCc1ccccc1	737439137	UTBZVQVIMPZPMD-UHFFFAOYSA-N	324.424	3.637	50	20	DHGD	
COc1ccccc1-c1ccc(C=NNC(=O)C2CCC2)cc1	741459966	HVMUYKIFLHSPNP-UHFFFAOYSA-N	308.381	3.612	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1coc2ccccc12	747741586	WOXFSXBYVPQEBB-UHFFFAOYSA-N	321.380	3.694	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)CCc2ccccc2)cc1	755254370	SDKBLKXZVHOLFZ-OAHLLOKOSA-N	324.424	3.594	50	20	DHGD	
CC[C@H](C)N(CCI)Cc1ccccc1	759327493	KKTXBSNWWDHVDK-LBPRGKRZSA-N	317.214	3.722	50	20	DHGD	
COc1ccccc1COC(=O)[C@H](Br)C(C)(C)C	766745642	HDFROCJPYWGWBB-LBPRGKRZSA-N	315.207	3.548	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@H](C)c1ccc(F)cc1	771304458	INLITKQAFKBINB-LBPRGKRZSA-N	319.355	3.703	50	20	DHGD	
Cc1nc(CCC(=O)NNc2ccc(C(C)(C)C)cc2)cs1	780806246	FBALUZOLBDYWNX-UHFFFAOYSA-N	317.458	3.825	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCc2ccccc21	781063209	HEBIDLORMQYUEG-CYBMUJFWSA-N	310.235	3.775	50	20	DHGD	
C[C@H]1CCCC[C@@H]1C=NNC(=O)Nc1ccc(N(C)C)cc1	783850427	SSMJZMKQPSFKRJ-UONOGXRCSA-N	302.422	3.686	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccc(C)cc2)c(O)c1	789902246	MOEZGGWAIRLUBV-UHFFFAOYSA-N	314.385	3.636	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@@H]1CCC(F)(F)C1	790424053	CNTOBFGXJJZVEE-SECBINFHSA-N	324.158	3.807	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(C)noc1C(F)F	799756030	PWEHJQZCYUZFNM-UHFFFAOYSA-N	309.316	3.548	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccsc1	801439599	AHXVESALURAXDG-GYBQTFJISA-N	300.358	3.672	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@]1(C)CCCO	808741546	IZOTZPRTPSRYLS-MRXNPFEDSA-N	301.547	3.635	50	20	DHGD	
COC[C@@H](NC[C@H](C)CBr)c1cccc(Cl)c1	808801563	YXIGSJOWDPBAAM-ZWNOBZJWSA-N	320.658	3.648	50	20	DHGD	
C[C@H](CNCc1ccc(OCCCCl)cc1)CN1CCCC1	811473993	BCAOPUIZDYNKRE-MRXNPFEDSA-N	324.896	3.516	50	20	DHGD	
C/C(=C/C(=O)NNc1cccc(Cl)n1)c1cccc(Cl)c1	817011578	ALQYXEGNRJLDQI-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747110	KTBOGBWVFGDUTR-IUCAKERBSA-N	302.205	3.658	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1[C@H]1CCC[C@H]1O	831167069	YQUCYTPAKOLFGW-BZUAXINKSA-N	313.558	3.634	50	20	DHGD	
COCC1(C(=O)NNc2ccc(Cl)cc2Cl)CCCC1	837487375	HMFPDHFHYAGVGZ-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
C[C@]1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCCCO1	837508137	NZXZQDGVCUSDLW-CYBMUJFWSA-N	321.179	3.535	50	20	DHGD	
CO[C@@H](C=NNC(=O)c1ccc(Cl)cc1Cl)CC(C)C	841614895	SLJQNINBEFXOAT-LLVKDONJSA-N	317.216	3.770	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1C[C@@H]1CCOC1	844349958	QWWNZNHZTOGVRD-JKSUJKDBSA-N	313.558	3.899	50	20	DHGD	
Cc1ccc(-c2cnc(NC(=O)NN(C)C3CC3)s2)c(C)c1	844664326	SBVZLDBXCATIDB-UHFFFAOYSA-N	316.430	3.558	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1	853297738	KBYXNAJYEYFTHL-TZMCWYRMSA-N	323.318	3.643	50	20	DHGD	
C=CC[C@@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	855438750	OBCQFRLGDIIZPL-NEPJUHHUSA-N	302.256	3.611	50	20	DHGD	
C[C@]1(CN[C@H](c2cccnc2)C2CCC2)C[C@H]1Br	857083578	YBXLDPVUOZZJCX-QLFBSQMISA-N	309.251	3.686	50	20	DHGD	
CC[C@](C)(NC[C@H](CBr)C1CC1)C(F)(F)F	859196719	DYPFLPHXUREBBD-UWVGGRQHSA-N	302.178	3.728	50	20	DHGD	
Cc1nc(C)c(CC(=O)NNc2ccc(C(C)C)cc2)s1	897927950	LCIWQJULBKWNCI-UHFFFAOYSA-N	303.431	3.569	50	20	DHGD	
Cc1ccsc1C=NNC(=O)CCSc1ccc(F)cc1	916346357	XGFOVJBGJOTIMO-UHFFFAOYSA-N	322.430	3.828	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C=C(C1CC1)C1CC1	917430465	KUVWCJZGSOLCBO-UHFFFAOYSA-N	301.342	3.863	50	20	DHGD	
C=C(Cl)COc1ccc(C(C)=NNC(=O)[C@H](C)CC)cc1	917544892	KCGLPYSCKACTPP-LLVKDONJSA-N	308.809	3.704	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNC(=O)c1ccc2ccccc2c1	920436874	CTDPPWGKMGRVEU-ZBFHGGJFSA-N	324.424	3.817	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(F)c1C(=O)O	1595666857	VHYHNCPGKYXJGW-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
CC1(C)CCC(C=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	1776045117	RHNZTMZAFKEJDX-UHFFFAOYSA-N	317.389	3.709	50	20	DHGD	
CNC(=O)/C(C#N)=C\c1ccc(-c2cc(Cl)ccc2Cl)o1	6088439	MMXXTPVDMDSTBS-TWGQIWQCSA-N	321.163	3.906	50	20	DHGD	
Cc1nn(-c2ccc(F)cc2)c(C)c1/C=C(/C#N)C(=O)C(C)C	44027148	RTGKPVWDNLIPBS-ZROIWOOFSA-N	311.360	3.760	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccn(C2CCCC2)n1	120128291	WXTDFDDOTXDGMV-UHFFFAOYSA-N	324.428	3.634	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)o1	130298429	WWAVYLLNVUTQQQ-DHDCSXOGSA-N	324.380	3.897	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1nccs1	131676955	WKYUGZJKULRDGE-UHFFFAOYSA-N	303.174	3.599	50	20	DHGD	
O=C(CC1CCCCC1)NNc1nc(C(F)(F)F)cs1	152969642	IEEZPPXHBJCJAO-UHFFFAOYSA-N	307.341	3.575	50	20	DHGD	
FC(F)CO[C@H]1CCCCCC[C@@H]1I	158530483	AOXMWEXSEGGQQI-IUCAKERBSA-N	318.145	3.795	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	171806147	OIWKENMLNPNXEV-LFYBBSHMSA-N	324.771	3.828	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2cc(C)ccc2F)s1	177368597	VQGDTRDSJHWCJJ-UHFFFAOYSA-N	307.394	3.608	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(-c2ncco2)cc1	182586949	IFDIMHOIZMMGNC-UHFFFAOYSA-N	312.304	3.629	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1ccc(Cl)c(Cl)c1	184756360	TUDPXECBODNSRC-UHFFFAOYSA-N	316.637	3.754	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC(F)F	193340414	LBMNQJDGBRZHNU-BJMVGYQFSA-N	315.703	3.800	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC1CCSCC1	194907322	YSPJLCKZVXUQJQ-GFCCVEGCSA-N	305.534	3.712	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)Nc2ccccc2F)s1	490725483	HLCDMJLERPEKKT-YRNVUSSQSA-N	315.373	3.951	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)nc2)c1C	588523718	RIADJBMUOBZMIY-OQLLNIDSSA-N	311.360	3.839	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cc(F)c(F)cc2F)c(C)c1	734553329	LRCHAXSMNPLLFZ-UHFFFAOYSA-N	322.330	3.797	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1NC(=O)NNc1cc(F)c(F)cc1F	734660788	AXEKPFSZGXZMIG-RNCFNFMXSA-N	315.339	3.699	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)[C@H](C)Oc2ccccc2F)C1	734978001	PMIWLZNSTZAKOY-QWHCGFSZSA-N	306.381	3.665	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)[C@H](C)Oc2ccc(F)cc2)C1	734978108	SQYBDNVRNFAYLG-QWHCGFSZSA-N	306.381	3.665	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCNc1ccccc1	736184118	OZQKBUGNXFQXPA-OAHLLOKOSA-N	324.515	3.929	50	20	DHGD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)CCCC[C@@H]1CCSS1	742713972	BQYXHFGFFAXREO-BFHYXJOUSA-N	317.520	3.726	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H](CC)OC	748669236	FMNOHBXKPXIPTQ-AWEZNQCLSA-N	306.431	3.748	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C1CCCCC1	748730682	BMHDUHMJOCZFBP-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@H]1Cc1ccccc1	752316370	XFNGIMHZEVECFS-LTUPMRBCSA-N	319.364	3.776	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)/C(C#N)=C/c1ccc(F)cc1	752577239	FRRLPHASQGPWKF-MHWRWJLKSA-N	308.356	3.666	50	20	DHGD	
O=C(CCc1ccoc1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421076	BSOSVPMRPMSSPD-UHFFFAOYSA-N	311.293	3.879	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2c(F)cccc2Cl)s1	770198139	WMDUCRWEXPCQKM-UHFFFAOYSA-N	313.785	3.563	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)OC[C@H](C)CBr	770368775	YYURMWDXMCQCFI-LLVKDONJSA-N	315.207	3.662	50	20	DHGD	
CCc1nn(C)cc1/C=C(/C#N)c1nc2cc(F)ccc2s1	770568192	BGLANIIJLCCIEC-POHAHGRESA-N	312.373	3.795	50	20	DHGD	
Cc1cccc(C)c1NCC(=O)NNc1c(F)cccc1Cl	771674580	QCUOWISCILOQKO-UHFFFAOYSA-N	321.783	3.651	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1(c2ccc(F)cc2)CCC1	771706461	FFJWVJVFYFPEFV-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NCCCSC#N	773584713	DFWORLOGUFVZLZ-SNVBAGLBSA-N	314.863	3.541	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2)c1C	774140133	SJPSOUOODSWSLH-YBEGLDIGSA-N	305.333	3.792	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CC=C(c2ccc(F)cc2)CC1	776767070	SHSRYXNOFBSKRA-UHFFFAOYSA-N	314.282	3.818	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C[C@@H]2CCSC2)cc1	782150093	KCODHOBWLDPPIE-AWEZNQCLSA-N	320.458	3.580	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCSC1	790581175	QVSNQLOPLMNAHA-NWDGAFQWSA-N	305.534	3.570	50	20	DHGD	
Cc1cc2n[nH]cc2cc1NC(=O)[C@@H](Br)C(C)(C)C	791056086	TYVOLHRFSSXLTF-GFCCVEGCSA-N	324.222	3.619	50	20	DHGD	
Cc1nscc1C(=O)NNc1cc(Cl)cc(Cl)c1	791731550	CVZRHLKRPALXBI-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)Cc1ccc(F)cc1)c1ccccc1	794486989	VBZWSNNJPNZKMQ-SFHVURJKSA-N	312.388	3.910	50	20	DHGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(/C#N)S(C)(=O)=O	799890700	VFCONFWFCQFFDU-NQXFEYKRSA-N	315.316	3.561	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccoc2C)c(C)c1OC	806554331	QHAYKVGXBFPUCW-NTEUORMPSA-N	311.337	3.704	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CCCC[C@H]1C1CCCCC1	814779858	UFOSDWCWBZGTRR-HNNXBMFYSA-N	301.434	3.881	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1ccc(C2CCC2)cc1	814843941	WILVKNMPABLDHR-UHFFFAOYSA-N	308.381	3.727	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(OCc2ccccc2)cc1	814986299	MQSYNFRMRUVVNZ-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1(C)C	817218294	XIAXPRQMUYJBEZ-MBSJSRAVSA-N	300.377	3.626	50	20	DHGD	
CN(NC(=O)c1ccccc1SCc1cccs1)C1CC1	819642685	MRSMCASBCCFKEF-UHFFFAOYSA-N	318.467	3.779	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCO[C@@H](C(C)C)C1	821769339	FLZBSSOLMZVSJF-GXTWGEPZSA-N	310.825	3.543	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C)nc1C1CC1	836788724	UFZXVWWCUMTMIC-UHFFFAOYSA-N	309.413	3.895	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H]2CCO[C@H](C(C)C)C2)cc1	838533557	JKBDPWIORPKGPQ-IRXDYDNUSA-N	319.449	3.640	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cc(Br)cnc1Cl	843269368	PCSOZZDISLEOPF-YCRREMRBSA-N	313.582	3.630	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@@H]1CCC[C@@H]1c1ccccc1	855466792	XTSHBTAZAALCMS-HUUCEWRRSA-N	315.804	3.762	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1cc(F)cc(F)c1	857082767	QQBHMXFECKBTOE-ZEGGKSINSA-N	304.178	3.789	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(F)cc1Cl	885136583	BVSQSZIZIJLYFE-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCCC[C@@H]3C)n[nH]2)cc1	915966970	BFXVSHFBATYQKD-ZDUSSCGKSA-N	310.401	3.681	50	20	DHGD	
CC(C)CCOc1ccc(C=NNC(=O)OC(C)(C)C)cc1	916266619	LWPIXMDJIBMSHP-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)c1ccco1	916353649	STAZZMXLVBOKPB-SNVBAGLBSA-N	302.399	3.620	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2C)c(C2CC2)n1	928337901	XAOASILZWYMKQG-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
Cc1c(NC(=O)c2cccc(CCl)c2)cnn1CC(C)C	1262616347	MEUPSWUIKBMECB-UHFFFAOYSA-N	305.809	3.839	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(F)c(OC)c2)c1	1319573596	TVHGMBCHOWTGKZ-RIYZIHGNSA-N	311.312	3.633	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1Cl)c1ccc(F)cc1F	1319596474	AHGHAIMQXZCPPN-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
C=C(CBr)COC(=O)C(F)(F)c1ccccc1C	1321233214	NUJRHGVZBYLQSB-UHFFFAOYSA-N	319.145	3.581	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1cc2ccccc2o1	1322775300	WSYMIVQUJVPGEU-UHFFFAOYSA-N	310.328	3.920	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1cc(Cl)ccc1F	1335819936	XLROIPPYJMMCKL-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
O=C(N[C@@H](c1ccccc1)[C@H]1CCCO1)C1CCC(Cl)CC1	1346389061	FWBVNVSYMQRSQB-BACDZXNISA-N	321.848	3.821	50	20	DHGD	
COCCn1c(C)cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1C	28934055	RYTFOCUJQCAWMA-LFIBNONCSA-N	320.396	3.692	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNc2cccc(C#N)c2)c1	107394502	IOSZRQWKLIHVRM-AWEZNQCLSA-N	308.385	3.562	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(F)cn1	122853427	QUHBJTQIVCCVQO-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)nc1	153790175	KXZGVGQGNARPDT-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnn(C3CCCC3)c2C)c1	154542027	PNMXXSZUEJZOEI-UHFFFAOYSA-N	316.380	3.511	50	20	DHGD	
CC(C)c1csc(CNC(=O)NNc2ccccc2Cl)n1	177909838	LYIZVDYPGKTPKH-UHFFFAOYSA-N	324.837	3.746	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1ccc2ccccc2n1	181134516	VINJCUNSNIIESB-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1c(C)cccc1F	184327937	SUQBQMJPKURWTA-VXGBXAGGSA-N	304.390	3.751	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)nc2ccccc12	192908983	XZQSPGKSWFMEGV-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)nc3onc(C(C)C)c23)cc1	194447717	LPCHZASTGUVFQG-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2nnc(C3CC3)s2)s1	273639885	UKHIRGWHMNWHEY-UHFFFAOYSA-N	322.459	3.531	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2ccc(C)s2)cc1	294206208	DHKGYANOIXYEJA-UHFFFAOYSA-N	304.415	3.531	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccn1CC)c1ccccc1	490974994	OJETUZLOCYZTJV-BBLCHGJFSA-N	307.397	3.682	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CCC[C@@H]2c2ccccc2)c1	732533055	ZLKREIUPULQLMH-QGZVFWFLSA-N	303.365	3.612	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)c(C)c2)cc1	734304560	OCDWFUPJXFSMSQ-LICLKQGHSA-N	308.356	3.666	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc2C1)NNc1c(F)cccc1F	735692238	MOULDSDOTUOOHZ-LBPRGKRZSA-N	316.351	3.603	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cc2occc2s1	736680775	UIZVQDLBBXXDIW-UHFFFAOYSA-N	315.379	3.861	50	20	DHGD	
CCc1ccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	747604990	MQLBTFVYIJQQBO-UHFFFAOYSA-N	322.330	3.954	50	20	DHGD	
C/C(=C\C(=O)NNc1ccccc1Br)C(C)(C)C	748059973	IBCSULQTHFPSBF-MDZDMXLPSA-N	311.223	3.885	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@]1(C)CCc2ccccc2C1	748548635	DIURSPDDRVGTPA-LJQANCHMSA-N	312.388	3.772	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cnc(-c2cccs2)s1	751527535	YQJJAOJKMPYTMM-UHFFFAOYSA-N	307.444	3.758	50	20	DHGD	
CCCC=NNC(=O)c1ccc(Br)cc1Cl	755701407	RMTMTBLVZMQDMK-UHFFFAOYSA-N	303.587	3.618	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)C2CCC2)c1C	756097499	LMPVVHMJMFBUTA-BGARDKSCSA-N	313.445	3.727	50	20	DHGD	
CO[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	763136607	AHJUIXUHSQNNBL-GFCCVEGCSA-N	308.447	3.548	50	20	DHGD	
CCNC(=O)N(C)N=Cc1ccc(F)c(-c2cccs2)c1	769593682	DHELTQJHIKCQSR-UHFFFAOYSA-N	305.378	3.549	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)COc2ccc(F)cc2)cc1	780805886	HILOMSRATXTNKE-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
CC(C)(C(=O)NN=Cc1sccc1Cl)c1ccccc1	782231803	SDPFXRBMEFMPLX-UHFFFAOYSA-N	306.818	3.829	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cc2c1OCC2)C(=O)Nc1ccccc1	782881904	YZAJSOUQVNZBET-ZSOIEALJSA-N	324.767	3.821	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCCCS1	783590541	XLHQIRFYSHMLST-NSHDSACASA-N	305.230	3.722	50	20	DHGD	
CC1(C)CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	785639514	YZHSFKAZKREKPH-DKGMDFAASA-N	300.377	3.818	50	20	DHGD	
CC[C@H](C)Oc1ccc(NC(=O)NNc2ncccc2C)cc1	792263938	FJRYJGXRVULDCJ-ZDUSSCGKSA-N	314.389	3.716	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1ccc(Cl)c(Cl)c1	796641449	ZAROPDQPPFENHX-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CC1CCCCC1	798143563	YZLFEZYEEFLJKF-UHFFFAOYSA-N	310.829	3.667	50	20	DHGD	
CN(NC(=O)c1ccccc1Oc1ccncc1)c1ccccc1	801604282	QPGMYOPMCKJCBK-UHFFFAOYSA-N	319.364	3.655	50	20	DHGD	
O=C(CCCC1CC1)NNc1ccc(Br)c(F)c1	812548637	MXAPNMNLJTXKLG-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc2c(ccc3ccccc32)[nH]1	816605960	RWBGMVIUIXVMTI-UHFFFAOYSA-N	307.180	3.855	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC(C)(C)Oc2ccccc21	848083859	QXMPOXPMGFOCIG-LLVKDONJSA-N	316.228	3.593	50	20	DHGD	
C[C@@H](Cc1ccccn1)NCc1ccc(OCCCCl)cc1	848566664	DOBZFTJUEHJKPJ-HNNXBMFYSA-N	318.848	3.810	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2ccc(C#N)cn2)C1	852525148	URXIKQXNWHAASG-MRXNPFEDSA-N	317.509	3.549	50	20	DHGD	
Cc1ccc(C(=O)NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)o1	853316072	GSTLIMGJAKSMLT-QWRGUYRKSA-N	302.296	3.672	50	20	DHGD	
COc1cccc2cc(CNC[C@@]3(C)C[C@H]3Br)oc12	856807395	NWDIKTYFGBWPGA-UKRRQHHQSA-N	324.218	3.705	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2CC=CC2)c1C	862628048	RVZNMMSQZNHRDS-WOJGMQOQSA-N	311.429	3.504	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2ccccc2OC(C)C)c1	863155948	FOWXMCPNUXAKIA-UHFFFAOYSA-N	302.399	3.608	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccnc1Br	865217794	MGXMRTOPWXBVTL-XYOKQWHBSA-N	307.191	3.756	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C(C)C)nc2C)c(Cl)c1	880225543	XAEYTSYAXCHJOY-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1sc(C(C)(C)C)nc1C	915109817	HIMWBDXIJVTQDO-UHFFFAOYSA-N	315.442	3.903	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1ccccc1F	916243037	SYPGVBURWDESIA-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c1	921270246	SBJNVXUHWCMNGW-LZYBPNLTSA-N	305.333	3.822	50	20	DHGD	
O=C(NN=Cc1cccc(OC(F)F)c1)c1ccccc1Cl	1324781843	INBGSISIEGFYDH-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
Cc1csc([C@@H](C)NC[C@H](CBr)C2CC2)n1	1329791918	FZPCNHJGCVCOQS-KOLCDFICSA-N	303.269	3.523	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccccc3)cc2)cn1	1344419612	SWHDOXNLISOLHE-WQRHYEAKSA-N	313.360	3.877	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045146	WGMXAVANLYUZCG-LLVKDONJSA-N	317.389	3.709	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(F)ccc(C(=O)O)c1F	1776682896	IPGZIENTIRZNCX-CLFYSBASSA-N	307.296	3.575	50	20	DHGD	
COc1ccc(C(=O)O)cc1/C=C(\C#N)c1nc2ccccc2o1	1777354442	WHEAWMKRXCPFON-UKTHLTGXSA-N	320.304	3.599	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(F)c2)cc1	8199024	OCAQEFNEYABGOB-XNTDXEJSSA-N	324.355	3.942	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)Nc1ccccc1C	121785580	WERDPYQVUCUYRZ-KAMYIIQDSA-N	322.364	3.558	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1	150829924	SEYSPJAVJSVMEM-QWRGUYRKSA-N	320.314	3.659	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(F)c2)c2ccc(F)cc2n1	154167962	AADLSFMQHACVAL-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1ccccc1Cl	158402719	FNDGIYDCVVFZFM-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
CC[C@H](NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1	160687453	AMOBEXXJAKJSQQ-INIZCTEOSA-N	311.360	3.693	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccc(F)cc1	173281790	CAEPHELYTVOTSI-GFCCVEGCSA-N	304.340	3.677	50	20	DHGD	
CCOC[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	175545826	GIMYKEQJEABIBY-UONOGXRCSA-N	317.520	3.586	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccccc1	178099660	IGEPQFNFGXBDCF-CQSZACIVSA-N	304.777	3.641	50	20	DHGD	
Cc1ccc(-c2ccsc2C(=O)NNc2ccncc2)cc1	180480667	VFNKIPPJWMTDFJ-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccn1)c1ccc(C(F)(F)F)cc1	181254379	KIYIXTSBQZCKMY-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(-n3cc[nH]c3=S)cc2)c1	192907652	FLJJXQKVJHQTCW-UHFFFAOYSA-N	324.409	3.600	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	194575318	OTCPGUBBYYWNJU-LFYBBSHMSA-N	317.439	3.551	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	265417334	DRQFBWPOXGZITH-RKDXNWHRSA-N	322.277	3.777	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1scnc1C1CC1)c1ccccc1	491051653	TUSGVTKFJOLQLP-DGGAMASNSA-N	323.421	3.805	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C/c1ccc2[nH]ccc2c1	492731493	DQXDJIDTPGSZOK-SOFGYWHQSA-N	309.344	3.772	50	20	DHGD	
COc1cccc(CN(C)C[C@@H](CBr)C2CC2)c1	701860108	YQCJHLXXPCJONG-CQSZACIVSA-N	312.251	3.548	50	20	DHGD	
CCOCCN(CC)C(=O)CCCC[C@@H]1CCSS1	730784149	GGJRMTCPAMRZAD-CYBMUJFWSA-N	305.509	3.586	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1nccc2sccc12	734250017	MOXXFVNTDUEPBR-LLVKDONJSA-N	303.431	3.956	50	20	DHGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)C1CCC1	747630334	OZJUYBQQNFPHCV-UHFFFAOYSA-N	312.369	3.764	50	20	DHGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)OC(C)(C)C	752718990	RDCDFCUPDBLKOA-UHFFFAOYSA-N	307.781	3.988	50	20	DHGD	
Cc1nc2sccn2c1CN(C)/C(=C/C#N)c1ccccc1	761910022	CABAKAOYRXIAHN-OVCLIPMQSA-N	308.410	3.701	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1OCC	780006343	ZMDCZIAZJFPJKG-SDNWHVSQSA-N	320.820	3.952	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCCc2occc21	781073755	OLMQGWOPHGXOHQ-PWSUYJOCSA-N	314.223	3.583	50	20	DHGD	
N#C/C(=C\c1c[nH]nc1-c1ccccc1F)C(=O)C1CCCC1	781554216	INYKGXGJKBZNJG-UKTHLTGXSA-N	309.344	3.882	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCCCc1cccc(F)c1	785352233	VIGQSSOSYNRECJ-ATVHPVEESA-N	309.340	3.909	50	20	DHGD	
COc1cc(NNC(=O)C[C@H](C)c2ccccc2)ccc1Cl	790175971	RIOJOWPESHGIMM-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	794446137	YQPCOILXWYIMEG-GFCCVEGCSA-N	303.362	3.527	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794873739	BDJROHDUBBPBKZ-JLHYYAGUSA-N	311.360	3.924	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCC[C@H]3OCC[C@H]23)cc1	798188057	XYNSIGAVXDGZIS-KZNAEPCWSA-N	323.864	3.742	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCCCCC(=O)C1	813560621	IGDKWBLZTLMMMS-OAHLLOKOSA-N	302.418	3.540	50	20	DHGD	
CCC(=NNC(=O)c1cccc2ccccc12)c1ccc(F)cn1	814855803	UARJXUQIRJIOGE-UHFFFAOYSA-N	321.355	3.918	50	20	DHGD	
Cc1c(C=NNC(=O)C(F)F)sc2c(Cl)cccc12	814901556	BTMBHBXRWLLANY-UHFFFAOYSA-N	302.733	3.578	50	20	DHGD	
C[C@@]1(C(=O)NNc2ncc(Cl)cc2Cl)CC=CCC1	829748116	FIISRSXLZCUZNR-CYBMUJFWSA-N	300.189	3.578	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@H](O)C[C@H]1c1ccccc1	839635910	LEKWJBBDCYYWOO-SJORKVTESA-N	321.537	3.816	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1CCn1ccnc1	844349274	KQHRVNYZPVDTOI-INIZCTEOSA-N	323.557	3.759	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCCC[C@H]2C)o1	844579485	LJPFXIIHEASRLK-CQSZACIVSA-N	319.449	3.807	50	20	DHGD	
CO[C@@H](C)CCC(=O)NNc1ccccc1Cc1ccccc1	846464842	UASZMGCJGWWUEE-HNNXBMFYSA-N	312.413	3.536	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(F)F)nc2)cc1	848208970	HCTXEQSACNTIEZ-UHFFFAOYSA-N	305.328	3.900	50	20	DHGD	
CC[C@H](CC(=O)NC[C@]1(C)C[C@@H]1Br)c1ccccc1	857404563	YXXJEVWDVWCBBO-INWMFGNUSA-N	324.262	3.860	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cn(C(C)(C)C)nc1C	885127058	LQAIPUZZIHTVBY-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
Cc1cc(C(=O)/C=C/c2ccc(OCCCCl)cc2)nn1C	901554775	DRJJBNDTDYZMII-RMKNXTFCSA-N	318.804	3.632	50	20	DHGD	
C[C@@]1(C(=O)Nc2nc(C3CCC3)cs2)C[C@H]1Br	907774648	ZTMHVTAHAUHCID-BXKDBHETSA-N	315.236	3.523	50	20	DHGD	
Cc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)o1	915200639	MGLSGHDXGDWIDZ-CQSZACIVSA-N	313.488	3.961	50	20	DHGD	
COc1ccccc1C=NNC(=O)Cc1ccc2ccccc2c1	915976161	JAXVLRCUXOWAJR-UHFFFAOYSA-N	318.376	3.541	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	916223728	PFHUVYHQFZHSGX-DVOMOZLQSA-N	305.397	3.811	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1cccc(Cl)c1	916326889	WZDORZAFWKNZIP-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
Cc1cccc2c1OCCC2=NNC(=O)c1cccc(Cl)c1	920365180	PHDVBWWRIPTVCY-UHFFFAOYSA-N	314.772	3.565	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3cccs3)s2)c1	1323701395	NOPFYGDIWCSHAE-UHFFFAOYSA-N	315.423	3.937	50	20	DHGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)CCc2ccccc21	1348757661	IQAPIZZJSZHJHP-IUDNXUCKSA-N	305.849	3.972	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045531	QSYYKMFEFHIWPV-UHFFFAOYSA-N	303.362	3.629	50	20	DHGD	
CC1(C(=O)/C(C#N)=C/c2ccc(-c3ccc(C(=O)O)cc3)o2)CC1	1776493885	CWQPJIONNOGXKQ-GXDHUFHOSA-N	321.332	3.921	50	20	DHGD	
COc1cc(C(=O)O)ccc1/C=C(/C#N)c1nc(C)c(C)s1	1777269741	FENVMWRGZVMTDU-MLPAPPSSSA-N	314.366	3.531	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1F	67428014	CJHVBROAFSZFMQ-NSIKDUERSA-N	309.296	3.653	50	20	DHGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC=C(C#N)C#N	76195060	ZJIWFEPPMPSILX-UHFFFAOYSA-N	314.348	3.789	50	20	DHGD	
CO[C@@H](C(=O)NNc1cccc(C(F)(F)F)c1)c1ccccc1	103277134	DGVLWWMWAIHMEF-CQSZACIVSA-N	324.302	3.536	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1ccc(Cl)cc1	120370202	IAIIVOYZVUYKPI-UHFFFAOYSA-N	304.777	3.642	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(c2ccc(F)cc2)CCC1	120872872	WJAGCSJTRLYMCE-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(C)ccc1F)c1ccc(F)cc1	127832072	JXUNXIBVZZPUOS-AWEZNQCLSA-N	304.340	3.910	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc(-c3ccco3)s2)c1	178984642	ZJIZRNHPFXLACQ-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
CC(C)c1cccc(NC(=O)NNC(=O)CC2CCCC2)c1	183054115	NQELZCPKUBXURT-UHFFFAOYSA-N	303.406	3.543	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NNc2ccccc2)c1C	192757643	SRAVITMWQAVIST-SFQUDFHCSA-N	322.412	3.565	50	20	DHGD	
Cc1cccc2[nH]c(/C(C#N)=C\c3cn(C)nc3C(C)(C)C)nc12	271177496	BPBJNSKSAGHXSU-LCYFTJDESA-N	319.412	3.967	50	20	DHGD	
CC1=C(C(=O)NNc2cc(Cl)cc(Cl)c2)CCCO1	276862454	MQDHCPMCFZZKHA-UHFFFAOYSA-N	301.173	3.521	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1cccc(C(F)(F)F)c1	282546865	RLJWMSMLOXYWKZ-UHFFFAOYSA-N	306.353	3.538	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1cccs1)C1CC1	491173812	FRQUUDRRNHRYLE-IDKBZEPQSA-N	324.405	3.628	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(SC(C)C)cc1	728429747	OIYUPLDQAIMJAV-UHFFFAOYSA-N	318.364	3.980	50	20	DHGD	
N#CCn1c(C(=O)NNc2cccc(Cl)c2)cc2ccccc21	729310556	ONFQKCCJIZZDRN-UHFFFAOYSA-N	324.771	3.575	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccnc(N(C)C)c1	731927928	XXZXNFABLUPTGS-UHFFFAOYSA-N	316.449	3.614	50	20	DHGD	
CCCCCCOc1ccc(C=NNC(=O)C2CCC2)cc1	731932861	ASGMVQZTSADWLB-UHFFFAOYSA-N	302.418	3.896	50	20	DHGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)c1ccsc1	737445440	ZROVQAPXMOVPDV-WZUFQYTHSA-N	313.769	3.839	50	20	DHGD	
COc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1F	743765245	JCXXBYTYUKLTEQ-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)c1cc2ccccc2o1	749817357	HYSPVCOYLKRYMD-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@H](C)[C@@H](C)C2)c1C	751960936	GHOBHUMATQVOHX-HRADPRCWSA-N	313.445	3.536	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cc2ccc(C)cc2o1	754895725	REDWQUMGUBFCIM-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
C[C@@H](CC=NNC(=O)c1ccc(Cl)nc1)c1ccccc1	755649092	AMFVPGKPHKDDKM-LBPRGKRZSA-N	301.777	3.644	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1Cc2ccccc21	763611987	CNXKVWZJHGXROO-NSHDSACASA-N	307.180	3.776	50	20	DHGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)C1CCCCC1	768183562	YYKALLVCLIASJA-CMPLNLGQSA-N	304.272	3.881	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@@H]1CCc2c(Cl)cccc21	775649682	MTKBNMUUVFWWGP-CQSZACIVSA-N	304.752	3.652	50	20	DHGD	
N#CC1=CCN(Cc2ccc(C(=O)Nc3ccccc3)cc2)CC1	779588246	WXFHSJSFYSKJKD-UHFFFAOYSA-N	317.392	3.595	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)CCc1ccc(OC)cc1	779771904	SCCOFZNHLVTHFE-OAHLLOKOSA-N	302.418	3.700	50	20	DHGD	
CCCCOc1ccccc1/C=C(/C#N)S(=O)(=O)CCC	786040563	OTDSZTBIOJXIHV-QINSGFPZSA-N	307.415	3.555	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(C)c(C)c2)c1	786055211	CYKAGAVSVWBOTC-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)c1	786106713	PUGRZCMGFOKORW-SDKQKANHSA-N	320.392	3.935	50	20	DHGD	
Cc1ccc(-c2nnc([C@@H](C)OC(=O)/C(C#N)=C\C3CC3)o2)cc1	786677200	XWWKLNXNJDGYBQ-CDCQXCROSA-N	323.352	3.509	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC(C2CCCC2)CC1	787395181	ISUROFMYPAYDGV-AQTBWJFISA-N	324.424	3.728	50	20	DHGD	
CSSCCNC(=O)[C@@H](OC(C)(C)C)c1ccccc1	791151625	AOZLCKXQAPXXFB-ZDUSSCGKSA-N	313.488	3.670	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc2c[nH]nc12	791728770	OXXXKFFTYMFBJB-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC34CCC4)cc2C1	799872584	USSHFZOYBGOBBF-NSHDSACASA-N	302.443	3.923	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2F)cc1	799888091	ACDZCJSEGWBZKL-PTNGSMBKSA-N	324.355	3.942	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccc2c(c1)-c1ccccc1C2	804217892	KRJWPMKCFCCKOO-UHFFFAOYSA-N	319.339	3.549	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	806861495	PHDFFFTWLUPXOZ-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)c1cccc(Cl)c1	810216411	JCCXHOQPASJOML-ZSOIEALJSA-N	311.724	3.828	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(Cl)n1)c1ccc(Cl)s1	817006181	ZMAJJCJLAHZYBO-ZETCQYMHSA-N	316.213	3.697	50	20	DHGD	
CC1(C)[C@H]2OCCC[C@@H]2[C@H]1NCCO[Si](C)(C)C(C)(C)C	831329289	UMZGLEUSADZXON-KFWWJZLASA-N	313.558	3.801	50	20	DHGD	
Cc1ccc(NNC(=O)NCc2sc(C)nc2C)c(Cl)c1	838492973	VHRXNOFSMNLRJW-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
C[C@H](Cc1ccccn1)NC(=O)CCCC[C@H]1CCSS1	848311846	RPENQGRQPGIESK-HIFRSBDPSA-N	324.515	3.843	50	20	DHGD	
CC1CC(C(=O)NCCCSC#N)(c2cccc(Cl)c2)C1	854359375	MZHHFKGZVNAQHW-UHFFFAOYSA-N	322.861	3.728	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C1CC2(CC2)C1	856237089	UPTYQTORNUWECE-UHFFFAOYSA-N	307.806	3.583	50	20	DHGD	
C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@@H](CBr)C1CC1	859284952	SGONFZUTHJAMBA-FBIMIBRVSA-N	314.189	3.680	50	20	DHGD	
CC(C)(C)C(=O)NN=C/C(Br)=C/c1ccccc1	864238847	PZUFGHXFLAHKIV-CPIOIWEKSA-N	309.207	3.571	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(Cl)cc1F	885107321	CCAPTCDGEWPFIB-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccnn1C1CCCC1	885124779	DKYHNTRGXDRBKW-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2cc(Cl)ccc2C)s1	885125780	YMFKOEGZCFWNEP-UHFFFAOYSA-N	309.822	3.733	50	20	DHGD	
C/C(C=NNC(=O)COc1cc(C)cc(C)c1)=C\c1ccccc1	916296175	WVSIXGSXBGEHLX-UKNWUHOASA-N	322.408	3.888	50	20	DHGD	
CCCCNC(=O)NN=Cc1cc(-c2ccccc2)cs1	920751365	WEEKVOPVATVGLB-UHFFFAOYSA-N	301.415	3.848	50	20	DHGD	
Cc1cc(NNC(=O)NCc2nc(C)c(C)s2)ccc1Cl	921002349	GPVLIQHXYSMLHI-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
CCCN(C[C@H](C)CBr)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C	1116630776	OXLCVPRDPBKNEW-XJFOESAGSA-N	318.299	3.543	50	20	DHGD	
CC(C)[C@@H](C#N)C=NNC(=O)Nc1ccc(Cl)cc1Cl	1117742149	NWDSSVLHVFDTTJ-VIFPVBQESA-N	313.188	3.896	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3ccncc3)o2)cc1	1118063373	QUQVIQXXOWZQLS-RVDMUPIBSA-N	318.336	3.594	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(F)cc2F)cc1CC	1254159603	LPSDYVLTUMFQSR-UHFFFAOYSA-N	304.340	3.847	50	20	DHGD	
COc1cccc([C@H]2C[C@H](NC(=O)C3CCC(Cl)CC3)C2)c1	1347662833	FUIPLMJNINXVKK-KIMDCOTQSA-N	321.848	3.855	50	20	DHGD	
Cc1nc(-c2ccc(NC(=O)C3CCC(Cl)CC3)cc2)n[nH]1	1351099716	ABGNEGSKVGEIGL-UHFFFAOYSA-N	318.808	3.516	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2C2(C)CC2)cc1C(=O)O	1600462294	YCHGGQQEDWSKEN-UHFFFAOYSA-N	324.380	3.502	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(c2ccc(Cl)cc2)CC1	66325882	GCRQGVBQWSABBO-UHFFFAOYSA-N	322.742	3.793	50	20	DHGD	
CCCCCCOc1cccc(/C=C(/C#N)C(N)=C(C#N)C#N)c1	126711146	RQTBGXGOLJGPFA-YBEGLDIGSA-N	320.396	3.813	50	20	DHGD	
Cc1cc(C(=O)NNc2ncc(Cl)cc2Cl)sc1C	133106946	LVNXFRKUTIHFRM-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	134263783	GXETVDTUHCEQEJ-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
CC(C)(CCC(=O)NNc1cccnc1Cl)c1ccccc1	152270204	WVDDPHAOSBFNHD-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1c(F)cccc1F	153649353	TVTAYRUVEAYQNB-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2cccc(F)c2)cc1	154721721	LWLZDUVJTPOUCC-UHFFFAOYSA-N	302.349	3.760	50	20	DHGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@H]1CCSC1	162534300	SMMUOSGEUUEKCY-RYUDHWBXSA-N	305.534	3.664	50	20	DHGD	
O=C(CCc1ccc(F)cc1)NNc1ccc(Cl)c(F)c1	175444763	NXVRJOSZEDVDOM-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)c1cnc2ccccc2n1	191359931	UCZGLBGHOKPIAO-UKTHLTGXSA-N	302.293	3.602	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	191756132	VNUPUUHIXIHHGL-POHAHGRESA-N	321.295	3.534	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2C)cc1	195172528	VLRGWMXKJAUHRI-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC2(CCC2)[C@@H]1[C@H]1CCCO1	289676965	VEDKCMXKKLAFGP-RBAVWITASA-N	312.388	3.724	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2sccc2Cl)cc1	491083291	LBUPODYZKAPAOW-CSKARUKUSA-N	318.785	3.956	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1C	732803989	BVPFOZSJMIKAHS-SFQUDFHCSA-N	313.445	3.823	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1CCCCCCC1	741552301	RBPKSKQVJUJMPA-UHFFFAOYSA-N	307.346	3.869	50	20	DHGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1cccc(OC(F)F)c1	747751547	NDGGCGDKELJWLZ-ZDUSSCGKSA-N	310.344	3.830	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC/C=C\c1ccccc1	750666638	QCQCNKXJOKHCMY-CCXPQKHKSA-N	305.333	3.556	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2(CC)CC2)c1C	752427506	ZIDMFUJQSVJHIE-BOPFTXTBSA-N	313.445	3.728	50	20	DHGD	
Cc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1O	752810563	BOGSLOFWBMTCAM-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@H]1C[C@H]1c1ccccc1	755697469	JIZQAGGHUNDYAR-MOPGFXCFSA-N	306.409	3.915	50	20	DHGD	
O=C(NN=CCCC1CCOCC1)c1ccc2ccccc2c1	764904157	JFFTYCNJKJOKAX-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
N#CC1=CCN(C(=O)Cc2coc3ccc4ccccc4c23)CC1	767156007	BTEYGMJSPGRBGO-UHFFFAOYSA-N	316.360	3.811	50	20	DHGD	
CC1(C)CC[C@@H](CNC(=O)NNc2ccccn2)c2ccccc21	769725541	QOQQZZNQVIPLNF-AWEZNQCLSA-N	324.428	3.563	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc2ccccc12	770076726	YBGMCJCJOVYFFX-UHFFFAOYSA-N	321.384	3.902	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)nc1)C(=O)c1cc(F)cc(F)c1	773173501	XBRMQIBPPXZVSZ-QDEBKDIKSA-N	304.683	3.803	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)c1cc2c(s1)CCC2	776724442	SNGRRGCRENQAOM-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
CC1(C)CCC1=NNC(=O)CSc1nc2ccccc2s1	788955417	VWOLVCWFEXBAEH-UHFFFAOYSA-N	319.455	3.681	50	20	DHGD	
CC1(C)CCC1=NNC(=O)c1ccc(COc2ccccc2)o1	788974207	AVIBVJGOUFYNAR-UHFFFAOYSA-N	312.369	3.764	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccsc1Cl	790151732	QLYKIMLDRRNTIK-UHFFFAOYSA-N	313.209	3.748	50	20	DHGD	
CSSCCNC(=O)Cc1ccc(Cl)cc1Cl	791116024	DFEQIAHHTSEXTD-UHFFFAOYSA-N	310.271	3.663	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	793331884	XCPKJGIOUVQVEB-AAEUAGOBSA-N	307.346	3.725	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(Br)c1	797338734	XUIYHLNJDCMSTR-UKTHLTGXSA-N	321.218	3.662	50	20	DHGD	
CCOCCC1(C(=O)NNc2c(C)cccc2CC)CCC1	799761114	WPANKMUUBGBCGP-UHFFFAOYSA-N	304.434	3.597	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CCCSC1	805292253	LABJYQZVVLDILX-OLZOCXBDSA-N	319.561	3.960	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H]1CCCCC12CCCC2	812929904	FZLQODXQCINMBX-AWEZNQCLSA-N	302.422	3.519	50	20	DHGD	
CC[C@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	814684185	HCZABXUXUORWQB-CYBMUJFWSA-N	311.341	3.504	50	20	DHGD	
CCC1(C=NNC(=O)Nc2ccc(Cl)cc2)CCOCC1	815004678	KACXZLQWKADJMR-UHFFFAOYSA-N	309.797	3.654	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1sccc1C1CC1	816338212	AAKJYDBWNQJWEA-UHFFFAOYSA-N	306.362	3.530	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cnc3ccccc3c2C)cc1	817904518	JGOXQLRRECOUNU-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
Cc1cc(CNCc2ccc(OCCCCl)cc2)ccn1	824596038	FMGMGSFRCZUULE-UHFFFAOYSA-N	304.821	3.688	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccnn2CC2CC2)cc1	836544131	WHZNGMFTJRFYDT-UHFFFAOYSA-N	313.405	3.565	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)CCCCC#N)c1	841639672	FSNNMYCWDFRJQY-UHFFFAOYSA-N	322.796	3.930	50	20	DHGD	
CCc1cc(NCc2ccc(OCCCCl)cc2)nn1C	848556003	IQXSRJDUFHEVMJ-UHFFFAOYSA-N	307.825	3.602	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc(C3CC3)no2)cc1	849636860	HBOVBGOGEBEPDP-NVNXTCNLSA-N	308.337	3.511	50	20	DHGD	
COC[C@H](C)Oc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	853002894	YIJRXTRJFDAPQA-PBTLCFMXSA-N	314.410	3.929	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(F)ccc1C)c1ccc(OC)cc1	855369220	ILOUFQQATLKLBJ-MRXNPFEDSA-N	316.376	3.780	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2cccc(C)n2)c(C)c1	860498143	RBBSXZYSQGQLJF-UHFFFAOYSA-N	314.389	3.636	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1ccc(F)c(Cl)c1	863082042	BCKIVTSWFDBAST-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
CC(C)(C)OCc1ccc(NC(=O)NCC(Cl)Cl)cc1	878894543	JQXQZBDFUDXSNO-UHFFFAOYSA-N	319.232	3.927	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(Cl)cc2F)CCC1	885108022	UTNJOUVJUASLQE-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
Cc1ccccc1OCC(=O)Oc1cc(C)c([N+](=O)[O-])cc1C	899892503	GLCWHJNQEYTKAQ-UHFFFAOYSA-N	315.325	3.504	50	20	DHGD	
O=C(NN=C1CCCCc2ccccc21)c1ccc(Cl)nc1	915974274	YDCGHLUCEAUHRT-UHFFFAOYSA-N	313.788	3.596	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)C1CCCCC1	916335430	MEYXJLQDPHFSIB-ZDUSSCGKSA-N	306.381	3.665	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)C1CCCCC1	916358109	CRENFILAOFXHGJ-UHFFFAOYSA-N	301.434	3.788	50	20	DHGD	
O=C(NN=Cc1ccsc1)c1cc2c(s1)CCCCC2	916370222	YMIWAGRJKYSLCO-UHFFFAOYSA-N	304.440	3.842	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNC(=O)c1ccc2ccccc2c1	920436872	CTDPPWGKMGRVEU-GOEBONIOSA-N	324.424	3.817	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(-c2cccs2)cc1F	920750683	IMYHIENBUKTRPP-UHFFFAOYSA-N	319.405	3.987	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)NCC(C)(C)CCC#N	922486688	JMAAMOVOUYXXRZ-UHFFFAOYSA-N	308.813	3.605	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3cccc(C)c3)ccc2c1	1317797800	ISZLJIDFIZAIPL-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)c2ccc(F)cc2F)c1	1320011625	FKUTWFKGMFNSDK-GFCCVEGCSA-N	304.340	3.828	50	20	DHGD	
CC(C)[C@@H](O)[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1347831374	JLYKLYGZPJUCOL-SJJHQCBESA-N	323.864	3.658	50	20	DHGD	
CC[C@@H](C)[C@@H]1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045269	NUJUXMJEDRHUNF-DGCLKSJQSA-N	317.389	3.709	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ccccc1	1776098996	KPLTXPULSADZCD-UHFFFAOYSA-N	324.380	3.565	50	20	DHGD	
O=C1CCc2ccc(OCCCCCBr)cc2N1	34265316	MVTCRMKQTHRHRX-UHFFFAOYSA-N	312.207	3.515	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccc(Cl)c(F)c2)cc1	83055959	RDCRJLONGHMYDT-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1c[nH]c2cc(F)ccc12	103250809	YFXKJUSQMLYCPP-DAFODLJHSA-N	317.751	3.638	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1ccc(Cl)cc1	120281899	TYVYYJHSEBIIPY-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(C)nc3)c[nH]c2c1	154272687	QXMXTGRKYVHIPW-OVCLIPMQSA-N	301.349	3.970	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1coc(-c2ccccc2)n1	158549016	AATGIMLVZJEJMR-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)CC(C)C)c1OC(F)F	171020025	OTTGOBXQGHHQAT-WQLSENKSSA-N	309.312	3.819	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1cccc2cnccc12	178789987	OFLGPGNENUJGIB-UHFFFAOYSA-N	317.458	3.990	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OC(F)(F)F)c1	181698438	FVRMXUJPWCNBOG-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
O=C(NNc1ccccc1)Nc1nc(Cc2ccccc2)cs1	184419092	ORTIAXPCQYABER-UHFFFAOYSA-N	324.409	3.883	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1nc2ccc(OC)cc2cc1C	189182088	DTAYQRJFYMENLF-GOSISDBHSA-N	313.401	3.597	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ccc(Cl)nc1)c1ccccc1	269709642	NOOFGULRIJEXCA-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H](C)c1c(C)n[nH]c1C	281646892	BBUXGWGLWXJEMF-LBPRGKRZSA-N	314.433	3.534	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)c2ccc(C)cc2)cc1	725741152	PCYOPMGZNWMKGZ-GHRIWEEISA-N	320.392	3.964	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)c(O)c1C	728716863	WHYKRUBIAYNVDA-UHFFFAOYSA-N	324.302	3.785	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1F	731488294	CSRJJLHNAMWYRI-ZYTLPXSGSA-N	300.377	3.736	50	20	DHGD	
O=C(NCc1ccc(Cl)cc1)NN=C/C=C\c1ccccc1	732925434	KZJSYOMVMBPTJO-UNRKAEKFSA-N	313.788	3.838	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C1CC1	741162103	UJTGZJYVLUMNLU-ZDUSSCGKSA-N	310.397	3.899	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cccc(C#N)c1	741463055	WMSYUWUNYZFXSW-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
CCCCCCCOc1cccc(/C=C(/C#N)C(=O)NC)c1	747613086	RMBPPWXOKUITCO-VBKFSLOCSA-N	300.402	3.689	50	20	DHGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)C1CCC1	747629348	GTFSFXILDNNUIR-UHFFFAOYSA-N	313.426	3.645	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCOc2ccc(Cl)cc2)c1	748787222	UZHOMEGGRBOCTH-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)CCc2ccccc2)cc1	749748148	YTUGWAXSLGBHCT-UHFFFAOYSA-N	312.438	3.882	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)Nc1nccs1	753683909	YFTUZDUVIUQQDV-WEVVVXLNSA-N	324.192	3.996	50	20	DHGD	
CCSc1ccc(C(C)=NNC(=O)c2ccc(N)cc2)cc1	755473379	UPZWHHPDNCWNIT-UHFFFAOYSA-N	313.426	3.535	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1	755567501	YMVGMFXXEURXJG-FUHWJXTLSA-N	324.449	3.993	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	768495584	LWWBGQZZJNLZBU-BFHYXJOUSA-N	312.417	3.613	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1ccc2ccccc2c1	770322115	BPGSPWDTRMMJSD-GFCCVEGCSA-N	321.214	3.957	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)c(C)c1	771521874	VXXWVDSZERTLCS-LFIBNONCSA-N	319.360	3.865	50	20	DHGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	776644617	CHLORQZYCGBKLL-KFLIEBISSA-N	312.413	3.774	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2ccc(Cl)cc2)cc1	780655811	BMIAUQYAXNVAIB-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)N(CC)CC	781040535	DTOJUIMWIWQAQR-MRXNPFEDSA-N	305.466	3.548	50	20	DHGD	
CCc1c(C(=O)NNc2ccc(C)cc2)cnn1C1CCCC1	789901967	BLCQFOSOOIOVRQ-UHFFFAOYSA-N	312.417	3.626	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	790602927	IJYVVXGWUSIFRZ-FMIVXFBMSA-N	305.447	3.654	50	20	DHGD	
O=C(NN=Cc1ccc2occc2c1)c1cc2ccccc2o1	794916130	RZISUDQMJRUGJO-UHFFFAOYSA-N	304.305	3.943	50	20	DHGD	
CCn1c2ccccc2c2cc(C=NN(C)C(=O)OC)ccc21	794964236	MOVCWZSBALUSMW-UHFFFAOYSA-N	309.369	3.847	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCc1cncc(F)c1	795388499	VKMNCUOCKFUAMH-ZDUSSCGKSA-N	315.435	3.978	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cc(Cl)ccc1OCC1CC1	797401266	AVVWBQBFQIGVCQ-UHFFFAOYSA-N	308.809	3.625	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	798344707	KJIKSTSZQCEWJU-PQMHYQBVSA-N	315.323	3.841	50	20	DHGD	
CCc1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)ccc1F	804268230	LDYSRRDBKQUIPM-NTEUORMPSA-N	310.328	3.639	50	20	DHGD	
CC[C@@H](O)[C@@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808727232	DKHYGJRMXIAWGF-LSDHHAIUSA-N	301.547	3.634	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CC2(CC2)C1	814754559	VBSVPOXDLJXXFQ-UHFFFAOYSA-N	311.410	3.778	50	20	DHGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)C1CCCC1	814801569	NHNUVIQHYXPRNQ-SJLPKXTDSA-N	314.429	3.632	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)C(C)(C)c2ccccc2)s1	814842238	YDQNCZDXEIHMCL-UHFFFAOYSA-N	315.442	3.694	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	817913583	KNBFRAAFLCOMBR-VURMDHGXSA-N	315.587	3.856	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=C2CCOC3(CCC3)C2)cc1	834928110	SKPKRNONPWTJEW-UHFFFAOYSA-N	314.429	3.803	50	20	DHGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)C2CCCC2)cc1F	844271373	QDKWKOSOIHORNE-QPEQYQDCSA-N	303.333	3.509	50	20	DHGD	
CSSCCNC(=O)c1coc2ccc(Cl)cc12	844521073	QHXOOHZKYNNHQT-UHFFFAOYSA-N	301.820	3.827	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1C[C@@H]1c1sccc1C	855366406	DVUKQIKOFCBXFO-QWHCGFSZSA-N	304.390	3.751	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCCc3sccc32)cc1F	856229880	AGKPHHARMHIQBA-ZDUSSCGKSA-N	304.390	3.759	50	20	DHGD	
COc1cccc2cc(CNC[C@]3(C)C[C@H]3Br)oc12	856807393	NWDIKTYFGBWPGA-HIFRSBDPSA-N	324.218	3.705	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cccc([C@H]2CCCN(C)C2)c1	856814622	ANNUBIDRIMMICU-SFHVURJKSA-N	323.440	3.561	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc(C(F)(F)F)ccc2Cl)CC1	860502937	PYOVKKVURYAUTE-UHFFFAOYSA-N	314.694	3.655	50	20	DHGD	
NCc1ccccc1NCc1ccc(OCCCCl)cc1	904484565	GOODOGVXNLVSBA-UHFFFAOYSA-N	304.821	3.765	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C	915838370	KRKRFOSKVIJLOX-BOPFTXTBSA-N	308.381	3.873	50	20	DHGD	
O=C(NN=Cc1ccc(OC(F)F)cc1)c1cccc(Cl)c1	916278296	MTXVSENTHUVYFA-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
O=C(NN=C[C@H]1CC=CCC1)c1ccc(Br)s1	916355849	YIHIBNZLYVLFAA-VIFPVBQESA-N	313.220	3.583	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(F)c1)c1ccc2ccccc2c1	917547583	WSJMYVPWXYKFQT-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1csc(C2CC2)n1	928339785	LCXWVYJHPXDXFW-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@@H](C)c1c(C)n[nH]c1C	928340266	PKULHRPTHVAWTH-SNVBAGLBSA-N	320.824	3.625	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2ccc(C)c(Cl)c2)cs1	1318957650	SPAKMAYTPUHXDT-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)c1ccccc1Cl	1318981400	MHUZVSUQNUQNIE-LBPRGKRZSA-N	314.772	3.622	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1c(F)cccc1F	7158049	MMZFLJRFZADTBK-XZIFPBMPSA-N	304.340	3.567	50	20	DHGD	
O=C(CCc1ccc(Cl)s1)NNc1c(F)cccc1F	118513594	YUZYFOBNUADYOE-UHFFFAOYSA-N	316.760	3.756	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1ncc(Cl)cc1Cl	132742018	LNECNFGNIQOEGW-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
CC(C)[C@@H](c1ccccc1)N(C)S(=O)(=O)CCCCCl	154193430	MJVPVUUMQVXLIZ-HNNXBMFYSA-N	317.882	3.664	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccncc1F	155284955	BLKPKGHTHJSIKK-UHFFFAOYSA-N	312.256	3.501	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(C2CC2)on1	177831033	GRKCAEVCWDNKTJ-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
Cc1ccc(NNC(=O)C2(Cc3cccc(F)c3)CCC2)cc1	188369928	XASIABHYWCUTNC-UHFFFAOYSA-N	312.388	3.990	50	20	DHGD	
Cc1nc2ccccc2cc1C(=O)NNc1ccc(F)cc1F	192471779	CARDXTXFGFMCMA-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1cc(C(F)(F)F)ccc1F	269989786	LARLACFLKJUSKQ-UHFFFAOYSA-N	318.192	3.630	50	20	DHGD	
C[C@@H](c1ccccc1F)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491102258	HHJYTUSRIZJKEV-JMRXEAOASA-N	324.355	3.658	50	20	DHGD	
CC(C)(CBr)CC1CN(C(=O)OC(C)(C)C)C1	585143245	NYDSLOAXEZGGMM-UHFFFAOYSA-N	306.244	3.665	50	20	DHGD	
COc1ccc(CN(C)C[C@@H](CBr)C2CC2)cc1	701858964	NBCVJQMMITURGB-CQSZACIVSA-N	312.251	3.548	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)c1cccc2ncccc12	730146226	KZVGBHMTKLYLNJ-UHFFFAOYSA-N	309.394	3.645	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1cc(C)sc1C	731320095	HNUIVIQBPLLOHK-UHFFFAOYSA-N	304.390	3.587	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1cnc2ccsc2c1	739410481	YYYPCOXMJFITLF-UHFFFAOYSA-N	323.421	3.769	50	20	DHGD	
Cc1ccc2c(CCC(=O)NNc3ccccc3F)c[nH]c2c1	748048942	BGXIFAHNFKOEIA-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H](C)C1CC1	753169391	IVQLBPPMVMZHOZ-VIFPVBQESA-N	311.223	3.501	50	20	DHGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)c1ccccc1O	753922105	PTEUAQZSXKKNOQ-UHFFFAOYSA-N	314.772	3.709	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C[C@H]1C[C@H]2C=C[C@H]1C2	755628264	RHSKOMRBKDGWEF-JCGIZDLHSA-N	320.392	3.533	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)cc1	755743112	JOKGVVWLKHDYID-YJBOKZPZSA-N	322.412	3.664	50	20	DHGD	
C=CCCC(C)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	758082701	HTTADBMEROFHRT-UHFFFAOYSA-N	304.390	3.554	50	20	DHGD	
C[C@@H](c1ccccc1Cl)N(C)CCI	759339742	UVHVKMCNTNDXOK-VIFPVBQESA-N	323.605	3.768	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)CCc1ccccc1O	769585350	MDFGQPQIRYXSOD-KGLIPLIRSA-N	302.418	3.643	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1ccsc1	777872854	ZIKVFAQKWBQBFK-VZUCSPMQSA-N	302.286	3.585	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CCCCS1	783062041	MVWLQOBMJNCXQU-SNVBAGLBSA-N	323.220	3.861	50	20	DHGD	
CC[C@H](OC(=O)/C(C#N)=C\c1ccccc1)C(=O)c1ccccc1	785344905	NSAQKCZPURHDGI-FDWYHIAWSA-N	319.360	3.798	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc2ccccc2s1	788192916	KSDPUYXQABAORV-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791718227	OLPKLAYMWOIMRI-VIFPVBQESA-N	305.205	3.642	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)[C@@H]1CCCOC1	794881300	CBAYRBPOHWDWIX-HAAVITCDSA-N	310.180	3.896	50	20	DHGD	
Cc1cc2cc(/C=C(\C#N)C(=O)[C@@H]3CCCOC3)oc2cc1C	794884445	PJTVZOBQSAPHTD-BRYYZUPOSA-N	309.365	3.952	50	20	DHGD	
CCCN(N=C(Cn1cccn1)C(C)C)C(=O)OC(C)(C)C	794992541	DBYWGKBIJNEMFX-UHFFFAOYSA-N	308.426	3.542	50	20	DHGD	
C=C(CBr)COC(=O)C1(c2ccccc2C)CC1	795490155	ZHRBZVSGOWUQKR-UHFFFAOYSA-N	309.203	3.521	50	20	DHGD	
Cc1cc(OC(=O)Cc2coc3ccccc23)ccc1[N+](=O)[O-]	796811392	PPUQMUSLLLWESE-UHFFFAOYSA-N	311.293	3.798	50	20	DHGD	
CCCc1ncc(C(=O)NNc2c(C)cccc2CC)s1	799760551	LIRMRTVENKEUDV-UHFFFAOYSA-N	303.431	3.723	50	20	DHGD	
COCC[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2c1	799876735	ZJEUWOLVDARRQX-OAHLLOKOSA-N	310.397	3.762	50	20	DHGD	
N#CC(C#N)=CNc1ccc(OCC(F)(F)F)c(Cl)c1	800720661	FRANCFROVNUOCS-UHFFFAOYSA-N	301.655	3.624	50	20	DHGD	
CCCN(NC(=O)CCc1cccc(C)c1)C(=O)OC(C)(C)C	804594176	OFTLTNUJVGBHNG-UHFFFAOYSA-N	320.433	3.606	50	20	DHGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)CC1CCCC1	814219973	UEQLVKKFEZSODL-PSAGUZBASA-N	314.429	3.919	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CCCC[C@@H]1C1CCCCC1	814779860	UFOSDWCWBZGTRR-OAHLLOKOSA-N	301.434	3.881	50	20	DHGD	
CCc1cnc(C=NNC(=O)Cc2ccc3ccccc3c2)s1	814807762	KDLNVYBDFCAQIM-UHFFFAOYSA-N	323.421	3.552	50	20	DHGD	
C/C=C(\CC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816702561	RYDVPDHATFKYPE-RUDMXATFSA-N	302.296	3.513	50	20	DHGD	
COc1ccc(NNC(=O)CC2CCCC2)c(C(F)(F)F)c1	816704061	FEXVCBICKYPIHE-UHFFFAOYSA-N	316.323	3.737	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CSCc2cscn2)cc1	837052656	IGWHLHUMZPFZOJ-UHFFFAOYSA-N	321.471	3.643	50	20	DHGD	
CC(C)OCCCC(=O)NNc1cccc(Cl)c1Cl	838348770	ZMEVAILZTQQAOP-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
C[C@H](CCNC(=O)NNc1ccc(Cl)cn1)c1ccccc1	852033878	GZCYSQMWUOAERZ-GFCCVEGCSA-N	318.808	3.555	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2cc(F)ccc2C)c1	855366307	AUBVYWDTKYAVMH-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1c(C(=O)NNc2cc(F)cc(Cl)c2)ccn1C(C)C	855619620	AGCBMZFBHOXKKR-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2cc(C)ccc2Cl)c1	857830449	GSADZYUVCCBTNB-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2ccc(C(=O)N3CCCC3)cc2)n1	864364499	CDUNDRFWFQUDQD-YBEGLDIGSA-N	323.421	3.752	50	20	DHGD	
COc1cc(/C(C#N)=C/c2cnn(C3CCC3)c2)ccc1[N+](=O)[O-]	899366535	MWSIDHCVFZPDHJ-VGOFMYFVSA-N	324.340	3.589	50	20	DHGD	
N#C/C(=C/c1ccccc1Cl)C(=O)c1ccc2c(c1)OCO2	915990531	VHLHDUWSIUPNDA-QPEQYQDCSA-N	311.724	3.859	50	20	DHGD	
Cc1cccc2sc(C(=O)NNC(=O)C(C)(C)C)c(Cl)c12	917182374	CNNWJYTYXRVNKC-UHFFFAOYSA-N	324.833	3.670	50	20	DHGD	
N#CCOc1cccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c1	917618366	FFATZPPCRUKINH-GXDHUFHOSA-N	300.321	3.529	50	20	DHGD	
Cc1ccc(OS(=O)(=O)c2ccc(CCCl)cc2)cc1	917840684	CYLFZTYMTJOHKS-UHFFFAOYSA-N	310.802	3.544	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)cc1	1116141684	DPKRVVLPJKBOTR-ATVHPVEESA-N	318.376	3.730	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCC(F)F)c1C	1337865000	PFANRGHLCLXNOS-GDNBJRDFSA-N	323.387	3.583	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccoc2C(=O)O)cc1	1596059254	YBBCBLPFEXPGKH-XNTDXEJSSA-N	309.321	3.720	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1	5069364	DLGKSRDCBLSOJR-OVCLIPMQSA-N	322.364	3.558	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc3ccccc3o2)c1	11286927	MITSOHVXLFSJKS-GXDHUFHOSA-N	318.332	3.987	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1	20787048	OJCNDZQPPNZOOD-SFQUDFHCSA-N	319.408	3.915	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc2ccc(C)cc2nc1Cl	73116674	XNUGFICILRIYOL-NTEUORMPSA-N	313.788	3.630	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2c(F)cccc2F)cc1	118512014	BHHPCVVCXWCETJ-UHFFFAOYSA-N	320.339	3.901	50	20	DHGD	
CSc1cc(C(=O)NNc2ccc(F)cc2C)ccc1F	128361883	LUASENGQLPRQAQ-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
C[C@@H](CBr)CN(C)Cc1nc2ccccc2s1	133588792	ZRPQCEWCFLMSHF-JTQLQIEISA-N	313.264	3.759	50	20	DHGD	
C[C@@H](CBr)CN(Cc1cccc(O)c1)CC1CC1	133786284	ARSVRPFZFLTSKL-LBPRGKRZSA-N	312.251	3.635	50	20	DHGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1ccccc1F	152954259	CUMTXBWCSNNZPI-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1ccc(C(=O)NNc2ccccc2F)c2ccccc12	153320192	VYGSABCEVRMRFO-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Oc3ccccc3)ccn2)cc1	178747693	BEEZAZANMRCWPD-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(c2ccc(F)cc2F)CCC1	179782696	KYTDPJQMZQDVLK-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc(F)cc2)cc1	181147406	DLYYIMYBDZUGJJ-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2c(C)cccc2F)c1	184294668	MCYJCXSIVIKRCX-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(Cl)c1F	192096476	MPFHVWCVPSPMQY-DHZHZOJOSA-N	301.770	3.558	50	20	DHGD	
CSc1ccccc1C(=O)/C=C/c1cnn(CCCl)c1	194594437	NYNALZIWURVLMT-VOTSOKGWSA-N	306.818	3.740	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	727251932	LLZIBCVHHHHWTG-GFCCVEGCSA-N	303.362	3.671	50	20	DHGD	
CCC(=O)NN=C(C)c1ccc(OCc2ccc(F)cc2)cc1	727684102	QHKVGIDYFVWSCP-UHFFFAOYSA-N	314.360	3.655	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)c1c[nH]c2ccccc12	729634187	YHZIVYBNWUUBOI-UHFFFAOYSA-N	303.431	3.805	50	20	DHGD	
CC(C)(C)[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	753229854	RYFFCLLHTIDTFW-YVGNARHYSA-N	300.377	3.627	50	20	DHGD	
CC(C)Cc1ccc(C=NNC(=O)c2ccc(Cl)nc2)cc1	755890887	RWBZDAUXZNXJLB-UHFFFAOYSA-N	315.804	3.697	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cccc2C1	757143072	XVQIBBIYDKKOGO-QGMBQPNBSA-N	323.327	3.657	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1	761350039	MQPOXSZUZIEWFA-ZDUSSCGKSA-N	312.413	3.673	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ccccc1Cl)CC2	762136251	CQXXLFVJGDXZMY-CYBMUJFWSA-N	316.788	3.522	50	20	DHGD	
CC(C)(C)CCCCNC(=O)NNc1ncnc2ccsc12	765758593	NQKDUCSAWJUCLQ-UHFFFAOYSA-N	321.450	3.534	50	20	DHGD	
COc1cc(/C(C#N)=C/c2ccc(C#N)c(C)c2)ccc1[N+](=O)[O-]	766492011	UISFFGKRIRFWRM-LZYBPNLTSA-N	319.320	3.848	50	20	DHGD	
C[C@@H]1CCC[C@H](C=NNC(=O)[C@@H](C)Oc2ccccc2F)C1	768349346	JXSVWLPMQVBTHA-MCIONIFRSA-N	306.381	3.521	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccccc1Br	769606919	VVJAUOVCVJVEIW-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
C=CCCCCNC(=O)NNc1ccccc1C(F)(F)F	771378298	XQFKHVMOKHHKFM-UHFFFAOYSA-N	301.312	3.688	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2c(C)cccc2F)cc1	771702433	ZPSTUPJSYIJLAZ-CQSZACIVSA-N	300.377	3.764	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc(O[C@H](C)C#N)cc2)ncn1	773173493	ROELDYNQUZDPOH-CWZJEYLYSA-N	322.393	3.554	50	20	DHGD	
Cc1ccc2cc(C=NNC(=O)NC3CCCCC3)ccc2n1	783511231	BWIIVKNNVHDLGD-UHFFFAOYSA-N	310.401	3.509	50	20	DHGD	
Cc1coc(C)c1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	786426955	NJULXTQPUPZROS-UHFFFAOYSA-N	323.274	3.544	50	20	DHGD	
C[C@@H](CCSc1ccccc1)OC(=O)/C(C#N)=C\C1CC1	786679122	JXSGOLJSRDZZPE-WZMONFQBSA-N	301.411	3.960	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1F	790227401	HURHSCOPUBJINO-NTEUORMPSA-N	318.355	3.899	50	20	DHGD	
CCc1occc1C(=O)NNc1ccc(Br)cc1C	797746002	JBUBAMUFPGPYTO-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CNc1c(C)cccc1C	799757997	SGKIGQLATPSFOZ-UHFFFAOYSA-N	311.429	3.729	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C(C1CCC1)C1CCC1	802829892	ZWQROOPKPBQLSF-UHFFFAOYSA-N	309.413	3.894	50	20	DHGD	
C[C@H](CCC(=O)NNc1nccnc1C1CCC1)c1ccccc1	805466228	ZIGNYJGZHRDYCK-CQSZACIVSA-N	324.428	3.771	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])c(O)c2)cc1C	809146612	QWKWLNSRBDMILO-NVNXTCNLSA-N	322.320	3.707	50	20	DHGD	
CC1(C)CN(CCO[Si](C)(C)C(C)(C)C)[C@H]1[C@@H]1CCCO1	810027211	JJXJJDXNILDCAV-GJZGRUSLSA-N	313.558	3.898	50	20	DHGD	
CC[C@@H](CSC)NC(=O)NNc1c(C)cccc1C(C)C	813126082	AZKZXOWWVCBBCK-ZDUSSCGKSA-N	309.479	3.886	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CC12CCSCC2	831243408	LSLAREIUALUZGM-AWEZNQCLSA-N	304.459	3.534	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)[C@H]1C[C@H]2CC[C@H]1O2	834940712	CFYSARMQBSPBDX-KZNAEPCWSA-N	308.381	3.513	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)[C@H](C)Oc1cccc(C)c1C	841613460	ZNHFFFUDIFCKCB-INIZCTEOSA-N	315.417	3.647	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1CCC(C(F)(F)F)CC1	848083900	BCXXYYQFAUPFPU-UHFFFAOYSA-N	306.155	3.617	50	20	DHGD	
COC(=O)c1oc(/C=C(/C#N)c2nc(C)c(C)s2)cc1C	853004838	DDUGAOFEXORKLF-WDZFZDKYSA-N	302.355	3.512	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1ccc(C)c(F)c1)c1ccccn1	853678921	QRMSJTGZHWNTCK-MRXNPFEDSA-N	316.380	3.697	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1c(C)nn(CCCC)c1Cl	915853176	NQCNKSWMECLRIS-JLHYYAGUSA-N	323.824	3.895	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1	915989221	DBHIURHPAKXBAA-SXGWCWSVSA-N	305.333	3.768	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C/C(C)=C/c1ccccc1	916303942	VTBXXLNMCGMRHR-YUTCYTODSA-N	322.408	3.833	50	20	DHGD	
COc1cc(C(=O)NN=C2CCC[C@@H](C)C2)ccc1OC(C)C	916351886	MXDXYKAVNNPUEM-CYBMUJFWSA-N	318.417	3.778	50	20	DHGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)OCC)cc1	920361235	IIMVBJPZVXIYPG-ROOINGDDSA-N	304.390	3.696	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2ccc(-c3ccccc3)s2)n1	1322445654	KCKRIBHIHVDCQC-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
Cc1ccccc1-c1nnc(-c2c(C)nn(CCCl)c2C)o1	1327876442	XWTWWWGFSAZGMY-UHFFFAOYSA-N	316.792	3.764	50	20	DHGD	
CC(C)(CNC(=O)c1cccc(CCl)c1)c1ccccn1	1358268615	YNURYUNGWFRRBD-UHFFFAOYSA-N	302.805	3.528	50	20	DHGD	
Cc1ccccc1NNC(=O)c1occc1COc1ccccc1	119567298	RBZQZAXHNMTAQJ-UHFFFAOYSA-N	322.364	3.924	50	20	DHGD	
CCn1nccc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	178865683	NNHSCCXGAUACLA-YRNVUSSQSA-N	320.179	4.000	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ccc(F)cc2)c(C)s1	84580571	JGOQRUYIRMGOSY-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
CC(C)C[C@@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194743470	LFFCUHCHPHGORJ-WBILKINKSA-N	312.413	3.726	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccccc1C(F)(F)F	250198068	OMXSSJBBQQWMQW-SDDRHHMPSA-N	312.335	3.975	50	20	DHGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)[C@@H]1CCCOC1	281272199	XACFTSHVVWODNL-FMNNIJNLSA-N	323.364	3.904	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnccn3)n2)cc1	809155369	VPDGXIZCMBKWQQ-JYRVWZFOSA-N	320.377	3.673	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=CC(CC)(CC)CC	814723759	VHSQWQMHXLLZAG-UHFFFAOYSA-N	320.433	3.783	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cncc(F)c1	812977219	VSHGOLSDBQLQLV-UHFFFAOYSA-N	302.353	3.801	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc([C@H]3C[C@@H]3C)o2)cc1	814999026	IFWQBEPTBJHWFZ-NHYWBVRUSA-N	313.357	3.567	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)C[C@@H]1CCCOC1	811462344	WXORXLBWBGDJPE-INIZCTEOSA-N	311.853	3.553	50	20	DHGD	
Cc1cc(Cl)cc2c1O/C(=C/c1cnn(CCCl)c1)C2=O	811698461	RFKBEQRTTDUVDK-WLRTZDKTSA-N	323.179	3.700	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1c(Cl)cncc1Cl	815852949	OQVCHGHMYNGZGJ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)c(C(F)F)n1	812241042	BBPDEELGKYKPLU-BJMVGYQFSA-N	321.714	3.801	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1cc(C)oc1C	728434469	ZETGCRNXYDYQGH-UHFFFAOYSA-N	322.311	3.652	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(OCC#N)c2)c1C	727828325	WDZIPGNJDHJSSP-BOPFTXTBSA-N	316.360	3.996	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	727781727	VZSSUCLGKLSTMP-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cccnc3C)n2)cc1	728786152	SOADPOVZSQXGIY-MHWRWJLKSA-N	302.337	3.813	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cnc(NC3CC3)s2)cc1	909358902	BWSWOIQECPDNSP-UHFFFAOYSA-N	316.430	3.598	50	20	DHGD	
N#Cc1ccnc(COC(=O)CCCC[C@@H]2CCSS2)c1	908778440	AXOZSPKJPBIVFF-CQSZACIVSA-N	322.455	3.711	50	20	DHGD	
N#C/C(=C/c1ccc(N)nc1)C(=O)c1c[nH]c2cc(Cl)ccc12	821038538	JDYXHQTWDCGFHS-WZUFQYTHSA-N	322.755	3.588	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cnn(-c2ccccc2)c1	737431203	DRQCDEVPJOBHAE-HNNXBMFYSA-N	322.412	3.558	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cccc(Cl)c2)o1	732763671	JMMUZVNQSXJRST-YGRLFVJLSA-N	302.761	3.820	50	20	DHGD	
O=C(NN=C/C=C/c1ccco1)c1cc2ccccc2cc1O	916662032	UVHIJFURHVRNQZ-NTIVDCSDSA-N	306.321	3.567	50	20	DHGD	
O=C(NNc1ncc(F)cc1F)Nc1cccc(C2CCC2)c1	836635766	ZCGFYKNDXGDXEW-UHFFFAOYSA-N	318.327	3.776	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(C)c1ccc(Oc2ccccc2)cc1	746510179	FUMVZEBFGPKQKH-PFONDFGASA-N	322.364	3.886	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cn(C)c2ccccc12	916661911	DGESMRPQIYMSCK-UHFFFAOYSA-N	306.369	3.642	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccc3c(c2)CNCC3)cc1	841303887	MEDGBPYKKSPSIM-UHFFFAOYSA-N	324.428	3.604	50	20	DHGD	
Oc1nc(CCCCCl)nc2sc(C(F)(F)F)cc12	841500468	JXMNUHQGBNEMTN-UHFFFAOYSA-N	310.728	3.977	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1ccccc1O	916661140	DHICHJULOGJMJT-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)OC1CCCCC1	742575796	MSMDKMKMKCPMLU-WQLSENKSSA-N	305.761	3.828	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccccc1OC(F)(F)F	749446949	KWIHYCDGARPHLD-UHFFFAOYSA-N	314.307	3.616	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccccc1F	916346189	OVDDGBTWKLMKEP-UHFFFAOYSA-N	320.364	3.597	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@H](C)C1CC1	748737379	SUGIFAHLQDNFTH-VIFPVBQESA-N	311.223	3.637	50	20	DHGD	
CC1(O)CCC(NC(=O)CCCC[C@H]2CCSS2)CC1	749463862	YTJXQVFLHGGETN-OWYJLGKBSA-N	317.520	3.510	50	20	DHGD	
CC(C)(C(=O)NN=C[C@@H]1CCc2ccccc21)c1ccccc1	755704334	RGPWURMXYDBJBZ-INIZCTEOSA-N	306.409	3.796	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNC(=O)c2ccccc2C)cc1	755056372	NTIXTGJEWPJVLS-ZDUSSCGKSA-N	310.397	3.583	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NC[C@@]1(C)C[C@H]1Br	856812317	UHNBNWKSUGXPET-BXUZGUMPSA-N	311.223	3.598	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)c1cc2c(s1)CCC2	755531708	OGYOIVHMIVIRIJ-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
Cc1cc(COC(=O)CCCC[C@H]2CCSS2)on1	760230002	QNBXKRIAMZSOCA-LBPRGKRZSA-N	301.433	3.740	50	20	DHGD	
CCCCc1ccc(NC(=O)NNc2ccc(Cl)nn2)cc1	769922663	JUKZFSOXTKMDDE-UHFFFAOYSA-N	319.796	3.621	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)c2ccccc2)c2ccccc21	769718356	KTUMWGYIHSUSNA-NTCAYCPXSA-N	301.349	3.846	50	20	DHGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccc(F)cc1	773214556	XRUKKEFPAIAMHA-UHFFFAOYSA-N	316.376	3.898	50	20	DHGD	
Cc1ccc2c(C(=O)OC[C@@H](C)CBr)c[nH]c2c1	770345496	FZTWBWZYJYQXPK-JTQLQIEISA-N	310.191	3.664	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	771698090	YBKQWCXQLQGKBS-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1nc2ccccc2s1	771094021	DOEJLQDKQTYKGH-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1ccccc1-c1noc([C@H](C)OC(=O)/C(C#N)=C/C2CC2)n1	786673907	MXTPQLLWWZKCJH-IGVUGNCQSA-N	323.352	3.509	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1ccc(C(C)(C)C)cc1)OCC	780802030	BYVCMCXALQUWNP-MRXNPFEDSA-N	304.434	3.799	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2scnc2C2CC2)c1	782305043	FSMXTARBQGFOPP-MDWZMJQESA-N	310.378	3.819	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC[C@@H](C)C2)c1C	781615145	OQBKLRZQQLSURT-AFBNYWALSA-N	313.445	3.727	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(-c2cccc(F)c2F)o1	790158325	PBVDBWSYQSCKIT-UHFFFAOYSA-N	306.312	3.721	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1cccnc1Cl	792647780	HVJRZGBXGIEJLP-UHFFFAOYSA-N	321.833	3.502	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1F	790227402	HURHSCOPUBJINO-ZROIWOOFSA-N	318.355	3.899	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc2n[nH]cc2c1)c1ccccc1	794908339	GXACGGAYXCQTGU-QGZVFWFLSA-N	320.396	3.597	50	20	DHGD	
CCCCSCCC(=O)NNc1ccc(Cl)c(OC)c1	790174621	FTHPDXKCOYYNGV-UHFFFAOYSA-N	316.854	3.715	50	20	DHGD	
CCc1ccc(CC(=O)NNc2ccc(Cl)c(OC)c2)cc1	790168857	PUZUQHWBTBXHDA-UHFFFAOYSA-N	318.804	3.597	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cc(C(=O)O)ccc2F)sc1C	1777489235	KHLNNTLIVAHDKL-WUXMJOGZSA-N	302.330	3.661	50	20	DHGD	
Cc1csc(NC(=O)NNc2ccc(C(F)(F)F)cc2)n1	163418496	SDARHFBPROSXGB-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NNc1ccc(C(F)(F)F)cn1	153581824	PZWBIVFJYMXBGP-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(C#N)cc1)c1ccc(C)cc1	155158826	RGEZMJBJMSGAPC-INIZCTEOSA-N	307.397	3.894	50	20	DHGD	
C[C@H]1CC(=NNC(=O)OC(C)(C)C)CCN1Cc1ccccc1	734295555	HASWXQKMSKKZMW-AWEZNQCLSA-N	317.433	3.552	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C#N)cc1	7157832	SBUFFTYXVICXKY-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNc1c(F)cccc1F	118515137	YRQLHNJHAMKASA-UHFFFAOYSA-N	312.319	3.804	50	20	DHGD	
N#CC(C#N)=Cc1ccc(OCCBr)c(Cl)c1	121696294	UGGMFEMXXSRIHX-UHFFFAOYSA-N	311.566	3.544	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2)cnn1CCC(C)C	124209462	CJGOZRAVTLCYNG-UHFFFAOYSA-N	320.824	3.648	50	20	DHGD	
Cc1ncsc1C(=O)NNc1c(Cl)cccc1Cl	133192664	QBEYQWXYDOHFIT-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
COc1ccccc1C[C@H](C)CC(=O)NNc1ccc(C)cc1	158897330	TUYDRYZZXYUVIC-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccc(F)cc1F	173144252	XHVMQCMIQHDRKF-NSHDSACASA-N	322.330	3.816	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCN3C)cc1	184841284	UPYPNVOLOSSWHK-LDADJPATSA-N	302.377	3.777	50	20	DHGD	
C[C@H](Cc1cccc(C(F)(F)F)c1)C(=O)N1CC=C(C#N)CC1	272665418	ISNKAXSNRHQHDU-GFCCVEGCSA-N	322.330	3.566	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)[C@H]1CCCOC1	280928646	HYTWEMWESQPARX-LFGHMXSPSA-N	309.365	3.898	50	20	DHGD	
CCCN(N=CCc1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C	496757948	MKNVLYFBIDDVAH-UHFFFAOYSA-N	321.377	3.770	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cn3cc(Cl)ccc3n2)n1	588616489	MXTFBMXCUAWHFF-ONNFQVAWSA-N	300.774	3.817	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cnc4c(C)cccn34)[nH]c12	741468075	SOZISRIWWZVJNQ-NTEUORMPSA-N	313.364	3.892	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccccc2F)c(Cl)c1	741766581	XHGOZEJTOOYAEQ-UHFFFAOYSA-N	305.740	3.943	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)C2CCC2)c2cccc(Br)c21	743442467	XQNVWVBTBMHQMK-SECBINFHSA-N	321.218	3.577	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2F)cc(C)c1O	747645254	ANZNRYLVUBUAOR-UHFFFAOYSA-N	320.751	3.565	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C[C@@H](C)C1	747766819	YWTRYJPJBJCROG-QWRGUYRKSA-N	316.430	3.680	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	748005206	RRCCRCAXKZLXKU-LBPRGKRZSA-N	313.357	3.865	50	20	DHGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1ccccc1Cl	748303950	XJNXLXYWEAMVJL-CQSZACIVSA-N	322.767	3.780	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCOc1ccc(Cl)cc1	748560824	AKNGGBRXUUZBHQ-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H](c2ccco2)C1	750045464	QZPISAGLYJKNKI-OUAKBRRNSA-N	309.325	3.542	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cc(C)c(C)cc2OC(F)F)o1	752175734	XIMAEKRDINMGKL-UHFFFAOYSA-N	322.311	3.570	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2cccnc2Cl)cc1	752626697	UNLQBTMYIKNWJI-UHFFFAOYSA-N	321.833	3.533	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1[nH]c2ccccc2c1Cl	754480609	ZIEQIGVLIJEJJT-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCC1(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CCCCC1	763438362	SGMHCMUYCBHHTL-UHFFFAOYSA-N	307.346	3.869	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)c1cnn(-c2ccccc2)c1	764692731	QAYDZPLRMXSQRF-UHFFFAOYSA-N	312.417	3.804	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccccc1OCCCC	767341174	TXDGOPJDGUMMND-SSZFMOIBSA-N	300.402	3.689	50	20	DHGD	
COc1ccc(NNC(=O)C[C@H](C)CC(C)(C)C)c([N+](=O)[O-])c1	768332290	SGKFGQBCMKVYHQ-NSHDSACASA-N	323.393	3.509	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cc(OC)cc(OC)c1	769568582	JHULRVSKCIGGFP-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
COc1ccc(C(C)(C)C)cc1NC(=O)NNc1ccccn1	778999476	NDVUFRNFBPHDOW-UHFFFAOYSA-N	314.389	3.536	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2cccc(Br)c2)C1	782016316	BMIYTSFKHVMLJR-SNVBAGLBSA-N	311.223	3.719	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1ncc(-c2ccccc2)o1	786674446	UCRHKLLOMHMZFE-CDCQXCROSA-N	308.337	3.806	50	20	DHGD	
CSSCCNC(=O)c1nc(-c2ccccc2)cs1	791153217	SDQDNQUMMGIIRH-UHFFFAOYSA-N	310.469	3.551	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Oc1cc(C)ccc1Cl	791153609	XTWSESKKVWSHSQ-SNVBAGLBSA-N	319.879	3.543	50	20	DHGD	
CSSCCNC(=O)C1(c2cccc(F)c2)CCCC1	791153740	ADVSLWCSPCEOTF-UHFFFAOYSA-N	313.463	3.765	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1cc(Cl)ccc1Cl	796638062	DRCWNLBYRUTZLL-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(C)C)cc(C)c1OC(F)F	797335617	NOCWFUBAXSWTCU-VGOFMYFVSA-N	322.355	3.584	50	20	DHGD	
CCCN(NC(=O)c1cc(Cl)cs1)C(=O)OC(C)(C)C	804593574	AKTTZESLLNQPAO-UHFFFAOYSA-N	318.826	3.693	50	20	DHGD	
N#C/C(=C/c1cnc(C2CCC2)s1)c1ccc([N+](=O)[O-])cn1	812244587	FRLWGXVGXDMZQV-WDZFZDKYSA-N	312.354	3.778	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)Cc1c[nH]c2ccccc12	814747269	NJSKPMHOHWKIOS-HNNXBMFYSA-N	322.412	3.532	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(C)cc1O	815004281	CUBZJKMHYSFPLP-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
Cc1cc(C=NNC(=O)Nc2ccc(Cl)cc2)cc(Cl)n1	815005341	UPTFBVSVMRFKSZ-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1O2)NN(c1ccccc1)c1ccccc1	836291896	BPTUGLDINGBVHQ-KFKAGJAMSA-N	322.408	3.814	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1c(C)noc1C(C)C	836934014	YVRIFQVOAGKWSL-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
CCCc1ncc(C(=O)NNc2ccc(C(C)C)cc2)s1	837054860	XUWAGKTZRDREQN-UHFFFAOYSA-N	303.431	3.976	50	20	DHGD	
CCOc1nccc(C)c1C(=O)NNc1ccc(C(C)C)cc1	837059501	VBLCOISCLWLDNC-UHFFFAOYSA-N	313.401	3.669	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cccnc1OC(C)C	839786208	VKFQUBBUJRXICC-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC1SCCS1	856167358	KHBIRSYPJMINNW-SNVBAGLBSA-N	323.574	3.623	50	20	DHGD	
Cc1cc(C)c([C@H](C)NC[C@@]2(C)C[C@@H]2Br)c(O)c1	857082868	REAOQYMIMWXPTN-CORIIIEPSA-N	312.251	3.833	50	20	DHGD	
COc1cccc(C(C)(C)C(=O)NNc2cc(C)cc(C)c2)c1	866870997	ANDPSASMEZCGLE-UHFFFAOYSA-N	312.413	3.733	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c(F)c1F)OC1CCCCC1	867345432	OYTKHXBCYVFZHD-UHFFFAOYSA-N	301.245	3.721	50	20	DHGD	
CCCCC(=NNC(=O)Cc1csc(C)n1)c1ccccc1	916317419	OOMXAIUBKCGUOW-UHFFFAOYSA-N	315.442	3.705	50	20	DHGD	
Cc1cccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1	916336353	CKKLUPFTGWGQPP-INIZCTEOSA-N	310.397	3.529	50	20	DHGD	
CCOC(=O)/C(C#N)=C/NCc1cccc(Oc2ccccc2)c1	917601013	GRKPEKPCOYIJBE-JQIJEIRASA-N	322.364	3.539	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1F)Nc1cnn(C2CCC2)c1	934299770	JBNMBZHOBHDRAV-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)c1ccccc1Cl	1318019128	LIUFKJOFZAMJJP-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CC[C@@H](C)n1nccc1C(=O)NNc1ccc(Cl)c(C)c1	1347387973	FLKIDGCQQHQICE-LLVKDONJSA-N	306.797	3.573	50	20	DHGD	
Cc1c(NNC(=O)[C@H](C)CC2CCCCC2)cccc1C(=O)O	1600055996	RZHKHEFDZKONAD-GFCCVEGCSA-N	318.417	3.743	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1[N+](=O)[O-]	16406836	FGKOGWHQKWENHH-RIYZIHGNSA-N	309.281	3.876	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2C)c1	16409847	WJKBTYNHWGGEFS-MHWRWJLKSA-N	306.365	3.858	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NNc1ccc(F)cc1	45970196	OQWFMBCXWWGMNJ-UHFFFAOYSA-N	310.781	3.715	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)o1	55041105	QLPFCKBCNCEGBA-NDEAHMGFSA-N	321.332	3.922	50	20	DHGD	
O=C(Cc1ccccc1C(F)(F)F)NNc1ccccc1F	153023153	SJEPEFIPUZQDFW-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)c1c(F)cccc1F	163802036	UGDKEAZTKLANBG-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2ccccc2o1	175517412	NSJNSWSABGKSNG-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)cnn1C(C)C	181130804	HYUAIHALWYMAPY-UHFFFAOYSA-N	314.433	3.827	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc2[nH]ccc12	182590529	AJYATGYPJNZQRA-JLHYYAGUSA-N	305.312	3.853	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccccc1C(F)(F)F	250198073	OMXSSJBBQQWMQW-SRVKXCTJSA-N	312.335	3.975	50	20	DHGD	
Cc1cccc(C(=O)NNC(=O)c2cccc3ccccc23)c1C	303875631	NJSFEMQSBLIKGX-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
O=C(/C=C/c1ccsc1)NNc1ccc(OC(F)F)cc1	492915813	XZLFJZRNUIDJMM-LZCJLJQNSA-N	310.325	3.506	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)CC(C)C)c(C)c1	727864229	AJDLTOLSDRMAKH-ZDUSSCGKSA-N	321.490	3.693	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)COc1ccc(C)cc1	730947339	NTRHGYJJYIOAAV-UHFFFAOYSA-N	316.426	3.560	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1csc2ccccc12	731316821	KSUIMCREJVXEHQ-UHFFFAOYSA-N	312.369	3.733	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1F	733361795	BKYBSBRBJFBMRT-ZDUSSCGKSA-N	304.340	3.677	50	20	DHGD	
O=C(NCc1ccc(-c2ccccc2)o1)NNc1ccccc1	734271763	AHDNNXDJAJOFBO-UHFFFAOYSA-N	307.353	3.773	50	20	DHGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	735620387	YVZJZSYAPKCICQ-XFFZJAGNSA-N	311.776	3.631	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)CCOc2ccccc2)c1	748402639	PANDMEKBYKDDHT-MRXNPFEDSA-N	312.413	3.852	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)OC2CCCCCC2)c1	748415688	AGBSNMQMPDPOAW-OAHLLOKOSA-N	304.434	3.874	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2ccc(N)cc2)C[C@@H](c2ccccc2)C1	749853041	BGFIOFGHCYZZSB-YOEHRIQHSA-N	321.424	3.958	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	750897144	XPVTXPKRAHUIKM-JLHYYAGUSA-N	312.369	3.763	50	20	DHGD	
Cc1csc(C=NNC(=O)c2ccc(Cl)cc2Cl)n1	755581031	KNNPQWIPBKBLKF-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
CC(C)(C(=O)NN=C[C@@H]1C[C@H]1c1ccccc1)c1ccccc1	755706036	YUOZHAKLHYJMNB-WMZOPIPTSA-N	306.409	3.870	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)c1ccc(Cl)cc1F	755754985	IBPPGNIDQCYNFV-DOMZBBRYSA-N	316.763	3.998	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CC(C(F)F)C1	766007314	LITOTWNQSBVXPR-UHFFFAOYSA-N	318.776	3.579	50	20	DHGD	
CC(C)c1cccc2c1OCCCC2=NNC(=O)c1ccncc1	768486515	LYSPXACKLKOYJL-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2ccc(C#N)cc2)c(Cl)c1	775449983	MDJFRJILJJNIQE-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
COCCC1(C=NNC(=O)c2ccccc2C)CCCCC1	780200279	DSYFRUIHQFKVRS-UHFFFAOYSA-N	302.418	3.698	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C=C2CCSCC2)cc1	781042336	OUWZKYWDVGKSOC-UHFFFAOYSA-N	304.459	3.881	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1OCC	781553473	SMXLHYBQMZFWNO-SFQUDFHCSA-N	323.392	3.764	50	20	DHGD	
O=S(=O)(CCCCCl)NC1CCC2(CCCCC2)CC1	786881956	IOGJYDKUXVYHKK-UHFFFAOYSA-N	321.914	3.818	50	20	DHGD	
Cc1cccnc1NNC(=O)c1oc2c(C)ccc(C)c2c1C	791216230	LWVDWJWKHYAIIW-UHFFFAOYSA-N	309.369	3.818	50	20	DHGD	
C=C(CBr)CN[C@@H](CC)c1ccc(F)cc1F	791490435	PZYZSMULBPILTD-ZDUSSCGKSA-N	304.178	3.957	50	20	DHGD	
C=C(CBr)CN[C@@H]1C[C@@H](OCC)C1(CC)CC	791493496	MPESABZUZIRUMF-CHWSQXEVSA-N	304.272	3.511	50	20	DHGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2cc(Cl)cc(Cl)c2)O1	791726404	IEDBBKWNNNFQBD-ZANVPECISA-N	317.216	3.784	50	20	DHGD	
CC(C)C(=O)NN=CC(Cc1ccccc1)Cc1ccccc1	799107846	SEUKIGATHPTIKY-UHFFFAOYSA-N	308.425	3.846	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)CCCCC(C)(C)C)o1	804324913	XXBKWLNEWFCNFW-UHFFFAOYSA-N	306.410	3.719	50	20	DHGD	
N#C/C(=C/c1cc(F)ncc1F)C(=O)c1c[nH]c2ccccc12	806565427	MVLBVJKPKDOOTC-WZUFQYTHSA-N	309.275	3.631	50	20	DHGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CS1	840420250	ROBYIHPUOFWCKD-SMDDNHRTSA-N	307.463	3.504	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(C)o1	843266519	WUPAQAWLRZFGRN-LCYFTJDESA-N	311.385	3.901	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2cnns2)C1	844338293	ZWHAHNJTQURQEE-LBPRGKRZSA-N	313.543	3.524	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cccc(C2CCC2)c1	846641439	FJHFCYDGWKLISA-UHFFFAOYSA-N	314.360	3.859	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2ncccc2C#N)C1	853896796	LACKCRGVEYTCSB-OAHLLOKOSA-N	317.509	3.944	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	855367806	SBLFXUCSCPZVRN-MNOVXSKESA-N	318.314	3.946	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3cc(C#N)ccc32)C[C@@H]1Br	857082691	QCWDQSVVSSVCQK-OWCLPIDISA-N	319.246	3.699	50	20	DHGD	
CC1(c2ccccc2)CN(C(=O)[C@H](Br)C(C)(C)C)C1	857728332	MTXWFHZBPLZIDP-ZDUSSCGKSA-N	324.262	3.596	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1ccc(F)c(Cl)c1	863083346	ZHEWIQXCAXWEMF-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(OC)c(O)cc1Cl	865216719	FTQFZINMHBAJPQ-WUXMJOGZSA-N	307.777	3.966	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCc1ccc(C#N)cc1	899894657	WLUKFHCJZCCKTH-UHFFFAOYSA-N	324.336	3.622	50	20	DHGD	
Cc1cc(C=NNC(=O)c2c[nH]c3ccccc23)c(C)n1C1CC1	916285721	CIEVTUYYXDGVHE-UHFFFAOYSA-N	320.396	3.685	50	20	DHGD	
Cc1csc([C@@H](C)NC(=O)NNc2ccc(Cl)cc2C)n1	916493433	KLGQTVINBOEHSP-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1ccc2c(c1)CCO2	1327050242	VKOKDJJFDQGLTE-UHFFFAOYSA-N	324.424	3.568	50	20	DHGD	
COc1ccccc1C1(CNC(=O)C2CCC(Cl)CC2)CC1	1351110724	AALWPJQGWPNHGJ-UHFFFAOYSA-N	321.848	3.641	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C)oc2C)cc1	6355232	QRPWQEQQDFEAEP-GDNBJRDFSA-N	310.353	3.841	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2O)c1C	67287724	SCZDKEJGIDXIJD-WJDWOHSUSA-N	323.396	3.766	50	20	DHGD	
O=C(NNc1ccccc1)c1cccc(Oc2ccncc2)c1	112724419	GFWMIJIJIHVDJX-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1ncc(-c2ccccc2)o1	121207541	WEQGHGHCICNALU-ZDUSSCGKSA-N	322.368	3.729	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccc(OC(F)F)cc1	121725778	JTJWSWDLVZZHEP-UHFFFAOYSA-N	300.349	3.803	50	20	DHGD	
CCC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCCC1	132302822	MVDKOPJCTXOXTG-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccccc2F)cc1	153153443	GRKMGXKKSMSSOG-UHFFFAOYSA-N	302.349	3.762	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2cccc(Cl)c2)CC1	153246938	XNYAJRJPNYIFJU-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C)c(Cl)c2)c1	156923923	CTWIIWRIKHTSRK-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)ccc2N2CCCC2)cc1	158692652	CBKPVHBADRBJEQ-UHFFFAOYSA-N	309.413	3.661	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1ccccc1OC(C)C	160693972	FHBOVRZKAGZDLV-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)NCc1ccccc1	178296491	YGKRVYSTGYEHLC-RIYZIHGNSA-N	314.747	3.702	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	194758253	FLXNWPCDHXCAKY-LCYFTJDESA-N	312.756	3.900	50	20	DHGD	
CC[C@@H](NNC(=O)CC(C)C)c1ccc(Br)cc1	268489039	NDFXMJVQYCRREB-CYBMUJFWSA-N	313.239	3.567	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cn1	299737180	GQSMWWSHPDFCFU-AUWJEWJLSA-N	304.353	3.735	50	20	DHGD	
CCn1cccc1/C=C(\C#N)C(=O)Nc1c(C)cc(C)cc1C	491084870	PKALSCKRIFXVMT-LFIBNONCSA-N	307.397	3.979	50	20	DHGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	727945353	OQZHCDQAWDKTQO-IUODEOHRSA-N	320.393	3.580	50	20	DHGD	
Cc1cccc([C@H](C)NC(=O)NNc2c(F)cccc2F)c1C	735757686	IIEUOKRPQDZWQT-LBPRGKRZSA-N	319.355	3.969	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)c(C)o2)c1C	738682254	PRUKXNXRHRJEFX-QPEQYQDCSA-N	309.321	3.693	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@@H]2CCCC[C@H]2C)c(C)c1	743765205	YXQMHLWHEIEHBT-CZUORRHYSA-N	304.434	3.650	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cccc(C(F)(F)F)c1	743817092	ZOSWRBBMYOACDG-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1	747053949	YNWQREJQWRBKDN-UHFFFAOYSA-N	311.772	3.756	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1CCCc2ccccc21	748301458	GRYGJZTZDJBHBF-AWEZNQCLSA-N	300.789	3.903	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(Br)cc1C)C1CC1	748748220	HGRCYLCXRLFWDN-CMDGGOBGSA-N	309.207	3.557	50	20	DHGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)CC(C)(C)C	749158905	YBPXFSHDDVLVKW-UHFFFAOYSA-N	303.431	3.767	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc(C)o2)c2ccccc12	752173300	XWCRSQFOOKWQDR-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
Cc1ccc(C(=O)OC[C@@H](C)CBr)c(Cl)c1	755653015	DRQWDORZILDQRT-VIFPVBQESA-N	305.599	3.836	50	20	DHGD	
CCCC(CCC)=NNC(=O)CSc1ccccc1OC	761272616	UOXQHWLPFMIRLQ-UHFFFAOYSA-N	308.447	3.860	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CCCCC3)c(C)o1	767900741	WCQPRFKJIWGIES-UHFFFAOYSA-N	316.426	3.991	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@@H]1c1ccc(F)cc1	770645821	LKMLBLUPHMRGEL-SMDDNHRTSA-N	300.215	3.994	50	20	DHGD	
Cn1cnc2cc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)ccc21	773170078	GUWGQZIVTPOTMO-YIXHJXPBSA-N	323.302	3.641	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1cccc(C(=O)OC(C)(C)C)c1	777869590	LTBZCUCVGYLLMV-XNTDXEJSSA-N	315.369	3.500	50	20	DHGD	
CC1(C)COc2c(C(=O)NNc3ccccc3Cl)cccc21	789996174	KQJROTIWLLYCAL-UHFFFAOYSA-N	316.788	3.767	50	20	DHGD	
CSCC[C@H](C)NC(=O)NNc1cc(Cl)cc(Cl)c1	790378014	SPAONFKVNALBOC-QMMMGPOBSA-N	322.261	3.761	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1c(F)cccc1Cl	791027015	YVTFDPZHNZJUOM-JTQLQIEISA-N	322.771	3.570	50	20	DHGD	
CSSCCNC(=O)c1cncc(-c2ccc(C)cc2)c1	791116077	GDQUISIFCSUCPH-UHFFFAOYSA-N	318.467	3.798	50	20	DHGD	
CSSCCNC(=O)C(C)(C)c1cccc(Cl)c1	791159005	WZYSTJNRHWFLRP-UHFFFAOYSA-N	303.880	3.745	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1Cc1ccc(C)cc1	791458228	GHFWQJNJWVYVDW-INIZCTEOSA-N	308.263	3.953	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1c(Cl)cccc1CC	792634034	YVNZDXRTDRMWPU-RAXLEYEMSA-N	311.834	3.982	50	20	DHGD	
C=C(CBr)COC(=O)C1(c2ccccc2C)CCC1	795618782	CVYPINADMWCCRK-UHFFFAOYSA-N	323.230	3.911	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cc(Cl)ccc1O	797400493	CZQNBAZGPCKQBV-WDEREUQCSA-N	308.809	3.978	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ccsc1	802383179	KMRHAYWEXANGNU-ZETCQYMHSA-N	315.320	3.553	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1nccnc1C1CCC1	805468779	VRORMYALWDVLJX-UHFFFAOYSA-N	316.449	3.938	50	20	DHGD	
COC(=O)c1coc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1	812247130	ZLWHFVJXAWSBQV-RUDMXATFSA-N	322.242	3.544	50	20	DHGD	
COc1cccc(C(=O)NNc2c(C)cccc2C(C)C)c1O	812769433	HBFZUBLXPLENHT-UHFFFAOYSA-N	314.385	3.590	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)c1ccc[nH]1	813124290	NMGVTPAHXKWQHT-CYBMUJFWSA-N	300.406	3.834	50	20	DHGD	
CSSCCNC(=O)NC[C@@H]1CCCCC(F)(F)C1	813748759	RRAWSTNWTOMNCN-SNVBAGLBSA-N	312.451	3.512	50	20	DHGD	
CCC(C=NNC(=O)Cn1c(C)nc2ccccc21)(CC)CC	814729904	GCSLOUKNFMDVFX-UHFFFAOYSA-N	314.433	3.663	50	20	DHGD	
CCCC(=NNC(=O)c1cccc(Cl)c1)c1ccccn1	814732274	GEGOIQGGILGAHX-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)cc1	814823387	HHCYEJAMUSVZJM-KRWDZBQOSA-N	303.365	3.612	50	20	DHGD	
CCC[C@@H](C(=O)NNc1nc2ccccc2n1C)c1ccccc1	816579864	IOXGPEMVZRFAMZ-OAHLLOKOSA-N	322.412	3.600	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2nccc3sccc23)CC1	844134044	GHDLBASJMIOEQR-LBPRGKRZSA-N	301.415	3.876	50	20	DHGD	
Cc1nnc([C@@H](C)N(C)CCO[Si](C)(C)C(C)(C)C)s1	844344500	ZPKYPJGNWLZDRW-LLVKDONJSA-N	315.559	3.861	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCCS1	846379534	YDIFMMSWBUPTDN-JTQLQIEISA-N	324.755	3.698	50	20	DHGD	
C[C@@H](c1cccc(O)c1)N(C)C[C@H](CBr)C1CC1	859189828	XIPSBBUDQOCZGQ-FZMZJTMJSA-N	312.251	3.806	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NN[C@@H](C)C(F)(F)F)c2c1	862320137	PHAUZJNTAVYGBT-VIFPVBQESA-N	314.307	3.741	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2cccc(F)c2Cl)CCO1	862507094	UZOOJSWDEMLSEL-WDEREUQCSA-N	314.788	3.518	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(F)c(Cl)c2)C1	863082316	HQZPWOAUGQPPJC-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
C[C@@H]1[C@@H](Cl)[C@H]1CN1CCC(c2ccc3cccnc3n2)CC1	895212418	XYYJSUCJBUTORP-YLQAJVPDSA-N	315.848	3.683	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)[C@]2(C)C[C@H]2Br)c(C)s1	906068473	ZCDYZCDIYKOLDI-RLCGTCKNSA-N	316.264	3.716	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCCc2ccccc2)c(C)c1	915885417	BSYPTLBSISWWSR-UHFFFAOYSA-N	311.429	3.871	50	20	DHGD	
CCCCOc1ccc(C(C)=NNC(=O)[C@@H](C)CC)cc1OC	915976518	IBLJVUVQOGCSMA-ZDUSSCGKSA-N	320.433	3.760	50	20	DHGD	
O=C(NN=Cc1ccccc1F)c1cc2c(s1)CCCCC2	916370121	WBUDBYMIQVVSCW-UHFFFAOYSA-N	316.401	3.920	50	20	DHGD	
CN(NC(=O)C1(c2cccc(F)c2)CCCC1)c1ccccc1	920862288	WOUQSKAPUFEBKO-UHFFFAOYSA-N	312.388	3.805	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCCC(F)(F)C1	928336748	BCUOROVAXCHFLB-JTQLQIEISA-N	302.752	3.917	50	20	DHGD	
CC(C)(C)OC1CCN(C(=O)c2cccc(CCl)c2)CC1	1120621072	NSVSJJXBGRMNDR-UHFFFAOYSA-N	309.837	3.845	50	20	DHGD	
CCNc1ncc(C(=O)NNc2cc(C)ccc2C)cc1Cl	1123767098	GRWBQBDTELBJNJ-UHFFFAOYSA-N	318.808	3.541	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@@H]32)cc1Cl	1329258964	YNNKJJHGVRNHLT-BHYGNILZSA-N	312.800	3.677	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCN(c2ccccc2)CC1	3418770	FNYUGHPDGOBBSV-VXLYETTFSA-N	307.372	3.512	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)c1C	6961182	RCJFHEYYQCNTLT-MHWRWJLKSA-N	322.412	3.682	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc3c(c2)CCC3)c1C	7918705	FXOYTSUNRSUYHC-VCHYOVAHSA-N	320.392	3.663	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1	93543692	QUYSKFRQJHDNRS-LLVKDONJSA-N	308.813	3.656	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCc2ccc3ccccc3c2)c1	105271313	COKJNFWRLZOYBH-UHFFFAOYSA-N	316.364	3.538	50	20	DHGD	
O=C(C[C@@H]1C=CCC1)NNc1cc(C(F)(F)F)ccc1F	128727947	YFARJZALPJDZSB-SECBINFHSA-N	302.271	3.644	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)Cc2cccc(F)c2)c1	150831525	SUQDYWRRKGGCBB-LBPRGKRZSA-N	304.340	3.595	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc2[nH]ccc2c1	153701720	ORDCYXFKKHVLHH-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
Cc1ccc(N(C(C)C)S(=O)(=O)CCCCCl)cc1	154158940	CVNZOPOUMUEFAX-UHFFFAOYSA-N	303.855	3.559	50	20	DHGD	
Cc1nc2ccc(NC(=O)NNc3c(F)cccc3F)cc2o1	154548991	VRPNQGUAMFRBII-UHFFFAOYSA-N	318.283	3.563	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@@H](C)c2c(C)noc2C)c(C)c1	161129694	UQPJEQJWWKSBEL-LLVKDONJSA-N	315.417	3.854	50	20	DHGD	
CSc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1	175471535	SGKINWUHOPZLOF-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NNc1cccc2cnccc12	178522333	CFPAOJZIIGKDEV-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C[C@H]1CC(=O)CC[C@@H]1C(=O)NN(c1ccccc1)c1ccccc1	182873337	FAEZRZDOVQKTFB-KXBFYZLASA-N	322.408	3.861	50	20	DHGD	
Cc1ccc(C(F)(F)F)cc1NC(=O)NNc1ccncc1	183085480	KTJBAGHZUHILLE-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)c(F)c1)c1ccccc1	188582405	IFFZNBYHOXALGT-MJSCBBHESA-N	324.355	3.706	50	20	DHGD	
C=CCC1(C(=O)NNc2cccc(Br)c2)CCC1	189660770	HGHJQNSTMLYTHX-UHFFFAOYSA-N	309.207	3.639	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)c1ccc(C2CCC2)cc1	190263028	ATPHUOTXDSFBFY-UHFFFAOYSA-N	318.380	3.654	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)c1cnc2ccccc2n1	191357017	ZBGIIYPJYATVDC-VBKFSLOCSA-N	323.359	3.880	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(F)c1)c1nnc2n1CCCCC2	194855339	VEMSYXRSKJBRBD-XYOKQWHBSA-N	316.767	3.861	50	20	DHGD	
O=C(/C=C\c1ccccc1)NNc1cccc(Br)c1	254987900	HLTUUCUEHVKDBK-KTKRTIGZSA-N	317.186	3.606	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@H](c2cccc(F)c2)C1	255529940	WRQLILOFPQDDIU-MAYQHFBPSA-N	308.356	3.764	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)CC(C)(C)C	267732750	XIHFBOKLIJJLHN-RVDMUPIBSA-N	301.386	3.624	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	281883671	XLXAGRPQNZHXCI-WBVHZDCISA-N	318.461	3.842	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(C(F)(F)F)CCC1	295481591	ZWGSZHAANPDSDW-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
CCOCC(=O)NN=Cc1ccc(-c2cccc(Cl)c2)s1	731152692	PJAMYHODQYFBSB-UHFFFAOYSA-N	322.817	3.555	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@@H](CC)C2)cc1OC	734977708	DWSDGCZAJPMGHR-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2ccc(Cl)nc2)cc1	743816555	SGAMESWKABSWKW-LBPRGKRZSA-N	317.820	3.934	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1ccc(Cl)c(F)c1	746695934	OPWZFIFUCHEYAF-VIFPVBQESA-N	304.818	3.844	50	20	DHGD	
C#CCNC(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	762531278	SYCFCFOOGHDFTM-UHFFFAOYSA-N	314.279	3.505	50	20	DHGD	
Cc1cc(NNC(=O)C=C2CCCC2)ccc1Br	762806453	SEELPTNALZFXRA-UHFFFAOYSA-N	309.207	3.701	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(-c2ccco2)s1	764716744	KDIHGLKNTZNUTK-UHFFFAOYSA-N	302.330	3.904	50	20	DHGD	
Oc1nc([C@H]2CC[C@@H](Br)C2)nc2cccc(F)c12	765982650	OYAKOFZWDUEGNL-JGVFFNPUSA-N	311.154	3.506	50	20	DHGD	
Cc1cc(C(=O)NN(c2ccccc2)c2ccccc2)c(C)nn1	767217146	MXZOXPBMHSIMJN-UHFFFAOYSA-N	318.380	3.577	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@H](C)[C@H](C)C2)o1	767379610	KMNPTQYVRHDSFO-UONOGXRCSA-N	319.449	3.663	50	20	DHGD	
C#CC[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccccc1	768324680	CWHSNYJJSLOUJC-KGLIPLIRSA-N	322.246	3.677	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc3ncccc3c2)ncn1	773174890	AJLNIQUVTLPWKB-ZSOIEALJSA-N	304.378	3.811	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	778448935	SSKQWFWYBGRGJZ-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
C[C@H](Cc1ccco1)NC(=O)NNc1ccc(C(C)(C)C)cc1	780818427	JDJMJBBHZBMVMJ-CYBMUJFWSA-N	315.417	3.834	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](C)c2cccc(F)c2)ccc1Cl	790186753	ICPYGRQJCURVHH-JTQLQIEISA-N	322.767	3.735	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1	793404332	HBQNVWSUAUXIFD-FYXHJSOBSA-N	324.424	3.639	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)c(C)c1	798142127	HKFZJIJNGUKXEJ-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
C=CC[C@@H](NC(=O)NNc1c(C)cccc1CC)c1ccncc1	799589505	RZCRZKQQCYEDJF-QGZVFWFLSA-N	324.428	3.896	50	20	DHGD	
Cn1c(/C(C#N)=C/c2c[nH]c(C(F)(F)F)c2)nc2ccccc21	806565797	RXKLOLNDWXJWSF-IZZDOVSWSA-N	316.286	3.984	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccn2)cc1Cl	810919050	QHWQQILJMCPCIS-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
COc1cc(Cl)cc(C(=O)NNc2cc(C)ccc2C)c1	815853449	LEUQQKSEJILXAC-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ncnc(Cl)c2C(C)C)CC1	816486181	RQSIBGKATZAATK-HAQNSBGRSA-N	324.856	3.913	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCS[C@H]1C	828560145	JHGFLMRABKXRHX-JSGCOSHPSA-N	307.463	3.639	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)[C@@H]2CCCC[C@@H]2C)c1	834925839	DZYMAYMIIXBIRZ-YVEFUNNKSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)nc2)cc1	840720976	QNNOLZAYCBQBOH-SXGWCWSVSA-N	305.381	3.872	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccccc1OC(F)(F)F	845962236	TZAUJFOJESLIPZ-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2c(c1)C[C@@H](C)O2	854336063	KXNGSACDMVTQAQ-CYBMUJFWSA-N	310.397	3.638	50	20	DHGD	
O=C(NNc1ccc(-c2ccccc2)nn1)C1CCC2(CC1)CC2	857149222	RVCNDPKHSAUXLW-UHFFFAOYSA-N	322.412	3.557	50	20	DHGD	
CC[C@@](C)(NC[C@@H](CBr)C1CC1)c1nccs1	859194459	GSHALJCJNZISQI-DGCLKSJQSA-N	317.296	3.779	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1	891550167	SDECUIKYTDDEAZ-RYUDHWBXSA-N	319.468	3.654	50	20	DHGD	
CC[C@@](C)(C#N)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912580238	BHTFIASQRRNPPC-BBRMVZONSA-N	310.514	3.549	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCC2CCC2)c(C)n1CC(C)C	915159788	XTHCLGCKJSSVCT-NVMNQCDNSA-N	313.445	3.584	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2C[C@H]2C)c1C	915289701	BISMPAUAUDIWDH-IKYVIUFSSA-N	313.445	3.584	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cc(C)ccc1C	916285965	SCGWSVJOYIBNMB-UHFFFAOYSA-N	305.381	3.939	50	20	DHGD	
CCCn1cccc1/C=C(/C#N)C(=O)Nc1ccccc1OCC	918183554	AXQOVIFWPISUTB-SQFISAMPSA-N	323.396	3.842	50	20	DHGD	
Cc1cc(NNC(=O)C(C)(C)C2CCOCC2)ccc1Cl	928339346	CWBMOXHJJGZMOF-UHFFFAOYSA-N	310.825	3.544	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1C[C@H]2CCC[C@H](C1)C2	1255919905	RHJNZJTUJHGTSC-UWVGGRQHSA-N	312.335	3.763	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(Cl)ncc2C)c(C)c1	1333792263	UXJYRBYGGXEVPG-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnc(C(C)(C)C)nc1	1345079076	UOVJFSFWVJLCQG-DHDCSXOGSA-N	305.381	3.872	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H](OC2CCC2)CC1	1350144794	ULDCSWMQKNUUCT-XUJLQICISA-N	313.869	3.734	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c1C	1083691	JUNBJUVXIGKBMK-XNTDXEJSSA-N	321.336	3.757	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	6827475	QVVCNPAPFPLSHL-LFIBNONCSA-N	306.365	3.910	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)CC(C)(C)C)c1C	60452886	JLQNIIZABQXBEZ-MDWZMJQESA-N	316.401	3.721	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	65999507	MIVSESRIIIJHRU-VBKFSLOCSA-N	305.308	3.628	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc2ccccc12	73386410	HKUZMGNNAJIGFU-UHFFFAOYSA-N	322.324	3.897	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1ccncc1Cl)c1ccccc1	89506076	MSOKPAUAFVYOLC-LBPRGKRZSA-N	301.777	3.538	50	20	DHGD	
Cc1ncsc1CNC(=O)CCCC[C@H]1CCSS1	104466690	FBCBUMYHKJKHOZ-NSHDSACASA-N	316.517	3.782	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccccn2c1	151392140	HDLFSQYANWBMLJ-UHFFFAOYSA-N	319.286	3.715	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2cccc(F)c2)cc1	154820902	YSRYQOAQCACVHO-GFCCVEGCSA-N	302.349	3.760	50	20	DHGD	
N#Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)cc1	170697925	PBYRRADXSBWQFX-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	171540017	PDZUEAIWZIDVPT-RKPNYOAGSA-N	320.323	3.906	50	20	DHGD	
CC[C@@H](NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	177493738	XOLYDMMVRZRPEK-OAHLLOKOSA-N	306.768	3.865	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)Nc1ccccc1Cl	179173266	GUENBBDIGFKXFO-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1	180571140	IKFULHPCFWEYRM-MHWRWJLKSA-N	321.336	3.926	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	209239252	YHQKXGDRTGOMSA-IZZDOVSWSA-N	302.380	3.508	50	20	DHGD	
Cc1ccc([C@@H](C)N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	491008462	IFJWDUZWJBJPND-GYZOOYGHSA-N	320.392	3.827	50	20	DHGD	
CCc1nc(CN(C)C[C@@H](CBr)C2CC2)cs1	701846274	SUEPFPZICISLOW-LLVKDONJSA-N	317.296	3.558	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc[nH]2)c(C)n1C1CCCCC1	725854462	JIYNEDRFALWPBD-UHFFFAOYSA-N	312.417	3.702	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)ccc1O	735618827	GIPVGQJDWVVWEE-JYRVWZFOSA-N	305.337	3.650	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1cccc(-c2ccncc2)c1	741461187	YHJWLKBRLVHFSN-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
CC(C)(C)c1ccccc1OCC(=O)NNc1ccccc1F	748055829	PQYMPHUQHAZNPH-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
O=C(NCCCc1ccc(Cl)cc1)NNc1ccc(F)cc1	749416462	ABVQTEPTZUWEJR-UHFFFAOYSA-N	321.783	3.738	50	20	DHGD	
CC(C)c1nc(/C=C(/C#N)C(=O)c2ccoc2)c2ccccn12	752887436	KMRDXFNIQNBYBX-ZROIWOOFSA-N	305.337	3.841	50	20	DHGD	
Cc1ccc(C(=O)NN=CCCc2c(F)cccc2Cl)o1	755767146	JHFBFNSAIGZPET-UHFFFAOYSA-N	308.740	3.729	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCc2ccc(F)cc21	767919528	HMEVMIIOIFFCCI-GFCCVEGCSA-N	314.198	3.524	50	20	DHGD	
CSCCCCCCNC(=O)[C@@H](Br)C(C)(C)C	768448499	LWRUUSCZBUQNOD-LLVKDONJSA-N	324.328	3.836	50	20	DHGD	
C[C@@H]1C[C@@H](CNC(=O)CCCC[C@@H]2CCSS2)CCO1	770882115	OKJQMMWELQWIHO-HZSPNIEDSA-N	317.520	3.632	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cc(F)cc(C(F)(F)F)c2)o1	772843706	DCONQEJPNYQCRU-UHFFFAOYSA-N	314.238	3.510	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2ccc(C(F)(F)F)cn2)C1	775249102	DSIFQGWGHWOISZ-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(C2CC2)cc1	775707084	FSHOPJMDYBWFMP-UHFFFAOYSA-N	312.329	3.621	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)C1(c2ccccc2F)CC1	777463656	LSRBNQLZYLDAEB-UHFFFAOYSA-N	321.355	3.549	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1csc2c1CCCC2	777465704	YNKLQCFHGIMMSA-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
CCOc1c(Cl)cccc1C=NNC(=O)c1ccccc1C	782170213	FCNAOOXYJQQKSX-UHFFFAOYSA-N	316.788	3.811	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(C(=O)O)cs3)[nH]c12	782200748	NUNBWARXNILRLO-BJMVGYQFSA-N	309.350	3.695	50	20	DHGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1ccc(O)cc1	783781882	AZCDIXCUQWYBKX-UHFFFAOYSA-N	314.772	3.709	50	20	DHGD	
CCC1=C(C(=O)NNc2cc(Cl)cc(Cl)c2)CCCO1	791728385	JCAFMHBHBWHSDR-UHFFFAOYSA-N	315.200	3.911	50	20	DHGD	
CCCc1nc(C(=O)NNc2c(C)cccc2C(C)C)co1	794949726	RVKTUSXPRORTNZ-UHFFFAOYSA-N	301.390	3.816	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)[C@H]1CCCOC1	794954615	VMFACZXTOOLBAW-FYQHACEVSA-N	303.789	3.805	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ncccc1C(F)(F)F	795120635	LIXQQSJORZYADQ-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CCNC(=O)N(C)N=CC(Cc1ccccc1)Cc1ccccc1	799111129	CQGLMWXDJOFQKF-UHFFFAOYSA-N	323.440	3.735	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Cn2ccc3ccccc32)cc1	806398515	KHVJSYLGZRHJQV-HNNXBMFYSA-N	307.397	3.729	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cccc3c2CCOC3)cc1	821938485	BEFOFWVHFSETOB-UHFFFAOYSA-N	310.397	3.640	50	20	DHGD	
C=CCC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCC1	832957879	UACFNLJOZGGTMZ-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
CC1(C)CCCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832969360	WZPSJLDFBFMRCM-NSHDSACASA-N	315.339	3.760	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cccc(Cl)c2Cl)CS1	840414102	PFXZITMGJRGCRE-HTQZYQBOSA-N	320.245	3.514	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H](C)CC(F)(F)F	840435759	KGIHLGQGJMXZGP-JTQLQIEISA-N	317.355	3.772	50	20	DHGD	
Cc1cnc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)o1	844348270	UQFOCXAMJWYCDS-CQSZACIVSA-N	310.514	3.969	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)NC1CC2(CCC2)C1	845722273	LDJIUNDEXPQSCU-UHFFFAOYSA-N	313.323	3.664	50	20	DHGD	
CO[C@@H](C(=O)NNc1ccccc1Oc1ccccc1)C(C)C	846461739	NOVNVGJLVJRODQ-QGZVFWFLSA-N	314.385	3.593	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cc(Cl)nc(C2CC2)c1	846802516	ZULMURWDOOSSOX-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1ccnc1[C@H](O)c1ccco1	853689792	FFLURLSGWWVECE-CQSZACIVSA-N	322.481	3.580	50	20	DHGD	
CC(C)c1nocc1C(=O)NNc1ccc(C(F)(F)F)cc1	860321236	YXPLHJGLNFVKMI-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)C1(C(F)F)CCCC1	862508786	YWEVHRKHQJOUTD-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863189046	WXRXRKOHXASARF-YFHOEESVSA-N	323.361	3.846	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(\C#N)C(=O)C2CCOCC2)c1	865224557	SNICRXWDENOXHV-LFIBNONCSA-N	313.397	3.767	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccc(C2CC2)nc1C	885126760	FMOVMGQPKRSUHD-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
Cc1ccccc1-n1nc(C)c(/C=C(/C#N)C(=O)C(C)C)c1C	887280521	AITMZKVAHGFSRX-YBEGLDIGSA-N	307.397	3.930	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C/C=C/c2ccccc2)c1C	916336713	NFYCVDZRXFKYLS-PTOQLMGWSA-N	322.408	3.886	50	20	DHGD	
CCOc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	917368465	SZUMIFXABLBCBT-UHFFFAOYSA-N	301.298	3.521	50	20	DHGD	
CCCC1CCC(NC(=O)NNc2cccc([N+](=O)[O-])c2)CC1	919913473	FNCPDAUKQOXRGS-UHFFFAOYSA-N	320.393	3.580	50	20	DHGD	
O=C(NC[C@@H]1CC=CCC1)NNc1ccccc1C(F)(F)F	921120895	DLGCKHOQUNZNDC-LLVKDONJSA-N	313.323	3.688	50	20	DHGD	
C[C@H](c1cccc(C#N)c1)N(C)C[C@@H](CBr)C1CC1	1351402603	CLAUQBVZJYNFCK-MLGOLLRUSA-N	321.262	3.972	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc(C(=O)O)c(F)c1	1595668987	FOHUYLHURYGFJH-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
ClCc1cc(Cl)c(Br)nc1Br	59634988	UYARDOZUCYVRLW-UHFFFAOYSA-N	319.811	3.999	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cccc3c2OCO3)ccc1[N+](=O)[O-]	91541114	MRKROCLNWWGSBQ-RIYZIHGNSA-N	308.293	3.696	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(F)c(C(F)(F)F)c1	153234864	VJINSRJWJJTTLO-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)NC3CCCC3)co2)cc1	175323672	YVOPAJZYKVCWJS-XNTDXEJSSA-N	321.380	3.616	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2ncsc2c1	175452478	BRTFZMQTTWACAZ-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
Cc1ccnc(NNC(=O)c2oc3ccc(Cl)cc3c2C)c1	176768167	ZROLTZLHERYNFN-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1cccc(Cl)c1	178572593	HLOOCBHTJUUORF-STQMWFEESA-N	306.818	3.957	50	20	DHGD	
CCCCO[C@H](C)C(=O)NNc1ccc(Cl)cc1Cl	178872847	UMPJTWQQGBMFBR-SECBINFHSA-N	305.205	3.642	50	20	DHGD	
Cc1csc2nc([C@@H]3CC[C@H](Br)C3)nc(O)c12	277448495	HPONGNQWQJYRCB-SFYZADRCSA-N	313.220	3.736	50	20	DHGD	
CN(CCO)Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	283973296	FKPSJIFXTWSJMT-UHFFFAOYSA-N	309.526	3.633	50	20	DHGD	
CSSCCNc1ncc(Cl)cc1Br	308747431	RYTYPXNTJCGAMU-UHFFFAOYSA-N	313.673	3.921	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1CCC[C@@H](C2CC2)C1	737432068	TZLLRJMBDZSGCG-MRXNPFEDSA-N	309.413	3.714	50	20	DHGD	
Cc1ccc(Cl)c(OCC(=O)NNc2ccc(F)cc2C)c1	748562403	NNCUIJYLBFOJKJ-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)Cc1ccccc1F	756890136	RXBVCEXCNCLBBP-UHFFFAOYSA-N	318.779	3.789	50	20	DHGD	
CC(C)c1cc(C(=O)N2CC=C(C#N)CC2)c2ccccc2n1	760004374	ZIRGRMFUZFXSRP-UHFFFAOYSA-N	305.381	3.654	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(Cl)ccc1Cl)c1ccc[nH]1	760862958	OWDQTZUFYNKSBJ-MRVPVSSYSA-N	313.188	3.709	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761485918	KRMKVULEDKJNRA-YFHOEESVSA-N	323.361	3.846	50	20	DHGD	
C/C=C(/C=C/C(=O)NNC(=O)c1ccc2ccccc2c1)CC	764918385	AMQJLNKTSKAJFI-ALHWMUBDSA-N	308.381	3.513	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](c1ccccc1)C1CC1	770407340	KCHBPDYVWUALPC-RISCZKNCSA-N	311.219	3.754	50	20	DHGD	
CN1CCc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)ccc21	779068609	XSPZNWJITWKHJE-UHFFFAOYSA-N	323.440	3.733	50	20	DHGD	
CCN(Cc1ccc(Cl)cc1)C(=O)NCCSSC	790877795	INNSUYFZPWSGOY-UHFFFAOYSA-N	318.895	3.883	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(C)cc1-c1cnn(C)c1	801647761	OMSDQKKIZVSKCN-MHWRWJLKSA-N	323.396	3.646	50	20	DHGD	
CCSCc1ccc(C(=O)N(C)CC(Cl)Cl)cc1	808247649	JHDFTDLZMAXETO-UHFFFAOYSA-N	306.258	3.815	50	20	DHGD	
Cc1nc(CC(=O)NNc2c(C)cccc2C(C)C)c(C)s1	812770543	SLDHTKZJXRBBIC-UHFFFAOYSA-N	317.458	3.878	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(C)o1)c1ccc(OC)cc1	814868457	TWQOUKRBFVYEOD-UHFFFAOYSA-N	300.358	3.531	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(CC(C)C)[C@@H](C)c1ccccc1C	819744958	KHUZJEKBMUVUPY-MUBYSKIDSA-N	314.429	3.985	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)cc1	827175592	AZAMESNISGGMAI-ROUUACIJSA-N	305.381	3.585	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)C[C@H](C)C1	833595114	SOSCRGJCGGQBPV-NXEZZACHSA-N	324.808	3.554	50	20	DHGD	
COc1cc(NNC(=O)CC2(C#N)CCCCC2)ccc1Cl	834716387	PGFDTXKJLBDMLW-UHFFFAOYSA-N	321.808	3.656	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1O2)NN(c1ccccc1)c1ccccc1	836291895	BPTUGLDINGBVHQ-ATZDWAIDSA-N	322.408	3.814	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ccc(C(C)C)cc1	837053692	HVJNCULBHCEXHK-QGZVFWFLSA-N	304.434	3.991	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1cccc(C(=O)OC)c1F	837057090	GRPFUISCXUJDMT-LBPRGKRZSA-N	324.396	3.518	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2ccccc2F)c2ccccc2O1	839709692	NHDKXURINNEHPR-ZDUSSCGKSA-N	314.360	3.614	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cnc2cc(F)ccc2c1=O	840112957	CTVYHJOLLZSSOT-UHFFFAOYSA-N	322.456	3.557	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(C[C@@H]2CCCO2)CC1	844346687	OUYDOVCVARJYGP-INIZCTEOSA-N	313.558	3.899	50	20	DHGD	
CC(C)Cn1cc(C(=O)NCCCSC#N)c2ccccc21	854363242	ROKJKNZULYFEPA-UHFFFAOYSA-N	315.442	3.631	50	20	DHGD	
CC(C)(C)c1ccc(NC(=O)NNc2ncc(Cl)cn2)cc1	856809498	CGACMHYGLJXCFN-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
C[C@H](NC[C@@H](CBr)C1CC1)c1ccc(C#N)cc1	859229963	QQOIFPAHSLDPHD-XHDPSFHLSA-N	307.235	3.630	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(N(C)C)cc1	915971600	DQBXOJCLJJXPMH-UHFFFAOYSA-N	310.401	3.607	50	20	DHGD	
Cc1cc(C=NNC(=O)C(C)C)c(C)n1-c1ccc(Cl)cc1	916328153	YDXLSEUGYMMDCW-UHFFFAOYSA-N	317.820	3.854	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@H](C)C(=O)c2ccccc2)cc1	916603707	GCLZZBGJBTVAGT-PWDRBQJJSA-N	319.360	3.717	50	20	DHGD	
CC(C)(C)CCNC(=O)NNc1ccccc1C(F)(F)F	918213943	NSGMNVZCLZVNSP-UHFFFAOYSA-N	303.328	3.768	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N(Cc1cccc(O)c1)CC1CC1	1123760232	IZQQVWCUFKMKAA-UHFFFAOYSA-N	321.848	3.928	50	20	DHGD	
CC(C)(CNC(=O)c1cccc(CCl)c1)C1=CCOCC1	1522718691	GQHACYMRBSVMGI-UHFFFAOYSA-N	307.821	3.528	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc2cc(OC)ccc2c1	7165771	MYFGLQNCMOYDGW-GZTJUZNOSA-N	308.381	3.672	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1	16408799	FPNSCDFFHIMSHJ-RVDMUPIBSA-N	322.339	3.936	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C#N)c2)cc1	24732652	VVWPLXMPSRZPOH-MHWRWJLKSA-N	317.348	3.503	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)nc2ccccc21	33377456	TZQOEAQNCCQAQF-LCYFTJDESA-N	304.309	3.546	50	20	DHGD	
CCc1nn(C)cc1NC(=O)CCCC[C@H]1CCSS1	91155223	PFSFMPXJNOZDQH-NSHDSACASA-N	313.492	3.635	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1ccc(F)c(Cl)c1	91985096	FWYWFCQBUTWHRD-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCSc1ccc([C@@H](C)NC(=O)NNc2ccccn2)cc1	103518021	CAHLNQIGIMGLNI-GFCCVEGCSA-N	316.430	3.581	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccccc1C(F)(F)F	118514139	XNGDEEMOGDEXPG-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(COc1ccccc1Cl)NNc1ccccc1Cl	120804712	YNXFTVUUCPFDAL-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2)c(C)cc1Br	133272981	FJIYQKRZSKTYBS-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CC(C)(C(=O)NNc1ccnc2ccccc12)c1cccc(F)c1	133612658	NYQTUZDMENGTOH-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)c1ccccc1	145352403	JGPSCMWNCOQVBW-HXUWFJFHSA-N	316.404	3.905	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2c(F)cccc2[nH]1	161073229	BTYWUBXLQRFUNG-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	191766675	KCMYQOXUSWMZDO-MDWZMJQESA-N	321.398	3.853	50	20	DHGD	
COC(=O)/C(C#N)=C\c1c(OC(F)F)ccc2ccccc12	211342552	RYCBREDQDMKXDO-FLIBITNWSA-N	303.264	3.521	50	20	DHGD	
O=C(NN=Cc1cccc(C(F)(F)F)c1)c1ccccc1F	254293078	LDBDXADOVLBDSA-UHFFFAOYSA-N	310.250	3.608	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ncc(C2CCCCC2)s1	273001037	XQIXOWJGBPAYPD-ZRDIBKRKSA-N	305.403	3.573	50	20	DHGD	
O=C(NNc1ncccc1F)C1(c2cccs2)CCCCC1	286066419	SIRRQKXTSIKYQW-UHFFFAOYSA-N	319.405	3.627	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)NCCc2ccccc2)c1	303047304	IITHZZOHSACWBA-UYRXBGFRSA-N	304.393	3.569	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1nc2c(C)ccc(Cl)c2s1	490939487	GRZXRFAAZCBJEF-VQHVLOKHSA-N	321.789	3.641	50	20	DHGD	
CCCN(N=Cc1c[nH]c2ncccc12)C(=O)OC(C)(C)C	495614013	UFQMMJXNVQMTGS-UHFFFAOYSA-N	302.378	3.544	50	20	DHGD	
COC(=O)N(C)N=C(C)CCc1ccc(C(F)(F)F)cc1	497007746	KNDSBFZSWYOFOO-UHFFFAOYSA-N	302.296	3.712	50	20	DHGD	
CC1(c2ccccc2)CC(=NNC(=O)c2ccc(Cl)nc2)C1	729637332	KQKSODRWDDOJAC-UHFFFAOYSA-N	313.788	3.573	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(Cl)ccc1O)c1ccccc1	731931057	BBEABPBYNICIQQ-OAHLLOKOSA-N	316.788	3.690	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)Cc1ccc(Cl)cc1	742035331	HQRLQZCGIBPTGR-ZDUSSCGKSA-N	324.852	3.636	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2c(C)cccc2C)cc1	755593992	RAAFCGNUHNEZOZ-WQRHYEAKSA-N	304.393	3.835	50	20	DHGD	
CC(CC1CCOCC1)=NNC(=O)Nc1ccc(C)cc1Cl	757584543	PPPWUADAQCASRQ-UHFFFAOYSA-N	323.824	3.963	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-]	764158158	CTOPEKVZBFWPAK-SNVBAGLBSA-N	321.279	3.891	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1cccc2ccsc12	768389283	CDYRJBBQMKCJEV-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1c(C)cccc1F	771697259	KAKRBONNVJTKJB-OAHLLOKOSA-N	308.397	3.705	50	20	DHGD	
CCNC(=O)NN=Cc1ccc(SCc2ccccc2)cc1	771876995	HGNLHVIJZSUPRT-UHFFFAOYSA-N	313.426	3.632	50	20	DHGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)ccc21	773170069	GUWGQZIVTPOTMO-PQMHYQBVSA-N	323.302	3.641	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1ccc(C(C)(C)C)cc1)OCC	780802029	BYVCMCXALQUWNP-INIZCTEOSA-N	304.434	3.799	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNc1ncncc1Cl	781811100	ALXQHRQHGJRVSB-HNNXBMFYSA-N	312.845	3.960	50	20	DHGD	
Cc1ccc(C(=O)NNc2nc3ccccc3[nH]2)c(Cl)c1C	783658583	DUVFQIITCZTHRJ-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccc(C#N)cc1	785361265	HQMOEDSKPAIVAN-DZBQEORWSA-N	302.333	3.770	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)C1CCOCC1	794957527	FKYHBAFPIRQYDV-XYOKQWHBSA-N	310.180	3.896	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NNC(=O)C1CCC1	796362859	LYMQZOYCAZAGSQ-HVEKOLDVSA-N	320.477	3.567	50	20	DHGD	
Fc1ccc(CNCc2ccc(OCCCCl)cc2)nc1	811483860	MHQOTZBBIWGEGU-UHFFFAOYSA-N	308.784	3.518	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)CSc1ccccc1O	814970967	LCAYEHQNUDHWQT-QWHCGFSZSA-N	320.458	3.803	50	20	DHGD	
C[C@@H](C=NNC(=O)Nc1cc(F)cc(F)c1)c1ccccc1	815005472	KRTZJSVCUQGTES-NSHDSACASA-N	303.312	3.876	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(SC)ccc2C)cc1	817909183	XDFBEQUEAUHBGK-UHFFFAOYSA-N	316.426	3.873	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1CCC=CCC1	822055678	PZXYIDBFIJXGQO-UHFFFAOYSA-N	300.189	3.578	50	20	DHGD	
Cc1cccnc1C(F)(F)C(=O)NNc1ccc(C(C)C)cc1	837058342	MJHPIYRGVIFAOZ-UHFFFAOYSA-N	319.355	3.749	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCC(F)(F)CC2)cc1	842520601	MMFYNEAKEBKANB-UHFFFAOYSA-N	312.385	3.769	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)C1CCC(F)(F)CC1	852219902	ZCQFICZZHUWXCS-MVWJERBFSA-N	310.226	3.964	50	20	DHGD	
CCC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	857556402	SCRNUWIRTJYXFH-FNHQQPGVSA-N	315.461	3.973	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(OC(C)(C)C)c1	865223419	HSHTZQVQRBYOIY-FOWTUZBSSA-N	321.442	3.943	50	20	DHGD	
C[C@@H](Cc1cccnc1)NCc1ccc(OCCCCl)cc1	897966837	HQDRUNOHXXRMEX-HNNXBMFYSA-N	318.848	3.810	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cccs3)cc2C1	916356848	NIUQDQWPPBQCAC-JTQLQIEISA-N	304.440	3.698	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(C(F)(F)F)cc1	916362140	QZTZDONWEDCPAN-UHFFFAOYSA-N	306.287	3.778	50	20	DHGD	
O=C(NN=Cc1cc(-c2ccccc2)cs1)c1cccnc1	917530944	KFOKSJKFDVBTOW-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(-c2ccc(F)cc2)s1	920988974	YBZXQJPQPRNXRI-UHFFFAOYSA-N	305.378	3.597	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1cncc(Br)c1	1116389570	GUIFFCZNNTUOCH-SNVBAGLBSA-N	314.227	3.504	50	20	DHGD	
Cc1csc([C@H]2CCN(C(=O)C3CCC(Cl)CC3)C2)n1	1263892805	CUPVHMBZZMVUNZ-CPCZMJQVSA-N	312.866	3.565	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1cc(Cl)ccc1[N+](=O)[O-]	1326709310	VXEXXHCEBWCRLL-UHFFFAOYSA-N	323.780	3.518	50	20	DHGD	
CN(C)c1ncccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	1330057459	HMNZPELVKMULDN-WQLSENKSSA-N	318.302	3.626	50	20	DHGD	
CC(C)c1nc(C(=O)OC[C@@]2(C)C[C@@H]2Br)cs1	1344039222	VUCLHSMUNMHOOJ-JOYOIKCWSA-N	318.236	3.597	50	20	DHGD	
Cc1ccc(C)c(NC(=O)c2c(C)nn(CCCl)c2C)c1	114110903	STLKOHDASMQVHS-UHFFFAOYSA-N	305.809	3.608	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1cccnc1Cl	132720412	LUFFFVKALZYBMR-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
Cc1cc(C)c(/C=C/C(=O)NNc2cccc(C#N)c2)cc1C	152655448	OUZJQFHTYNLAFZ-BQYQJAHWSA-N	305.381	3.640	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)c1c[nH]c2ccccc12	158734355	WHDXPNUTSXGITN-GHXNOFRVSA-N	306.296	3.802	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc3ccc(C)nc23)c1	159138221	UDVFBAAXBKLTNO-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ccccc3)nc2C)c1	176773340	WOBNMKMYNBKCEV-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
COc1ccccc1CC(=O)NNc1ccc(C(C)(C)C)cc1	181118734	MXJVTHJVRBREFX-UHFFFAOYSA-N	312.413	3.679	50	20	DHGD	
CCCc1c(C(=O)NNc2ccccc2)cnn1-c1ccccc1	183703395	FPMFGKRBVWLINM-UHFFFAOYSA-N	320.396	3.582	50	20	DHGD	
C[C@H](CCC(=O)NNc1cnc2ccccc2n1)c1ccccc1	193555973	MGFRHDSQLCNAIL-CQSZACIVSA-N	320.396	3.657	50	20	DHGD	
C/C(C=NNC(=O)CNc1ccc(C)cc1)=C\c1ccccc1	254413954	FZZWUYUEUFSGJO-DKGVXWIOSA-N	307.397	3.612	50	20	DHGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)c1ccc2c(c1)OCO2	254970679	NNWLDTGLQPVFSI-RIYZIHGNSA-N	317.300	3.951	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)ccc2C)cc1	255725570	DCPPOMQJCPDGLA-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(NC(C)=O)c1	293895742	JTNVTOJDXWFZMI-CQSZACIVSA-N	305.422	3.695	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1C	490639666	YHNASWNSIFJQFL-YBEGLDIGSA-N	322.412	3.682	50	20	DHGD	
CSCc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491082895	KJTHKVLKSFICAU-XNTDXEJSSA-N	324.405	3.801	50	20	DHGD	
FC1(F)CC12CCN(C[C@@H](CBr)C1CC1)CC2	701843992	CFLUQTZWEJIBBV-LLVKDONJSA-N	308.210	3.529	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)CCCc2ccccc21	728694722	HCNGYBUATKJPEJ-XNTDXEJSSA-N	300.789	3.725	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)Cn2ccc3ccccc32)o1	729638429	LHAVKEDLMGTNKC-XJKSGUPXSA-N	321.380	3.508	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1cnc2ccsc2c1	739413882	STPOERZFAMEUPC-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@H]1c1ccccc1	750185385	JRMKRRCOEIYGKR-XUKORKDYSA-N	305.337	3.906	50	20	DHGD	
N#C/C(=C/c1ccccc1OCc1cccnc1)c1ccncn1	758917035	UKCKRXVVLLUQJB-YVLHZVERSA-N	314.348	3.515	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1ccc(O)c(Cl)c1	768768638	ODWZHFXFJPWHGI-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)NNc2c(C)cccc2F)cc1	771313424	RVQMVZJTMGNBPQ-GFCCVEGCSA-N	317.364	3.530	50	20	DHGD	
O=C(NNc1ccccc1)C1(CCOCc2ccccc2)CC1	771423936	NRQMSMXVGNCSAV-UHFFFAOYSA-N	310.397	3.517	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nnc(C(C)C)s1	794953671	JVGNJDYJMWZZBH-UHFFFAOYSA-N	318.446	3.850	50	20	DHGD	
COCCN(CCO[Si](C)(C)C(C)(C)C)CC(F)(F)F	808726530	GCXSVKNLJOXWOW-UHFFFAOYSA-N	315.452	3.519	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)o1	809159406	OUSAYENNJXBWIV-GDNBJRDFSA-N	323.348	3.863	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC[C@@H]2C2CCC2)c2ccccc2n1	814713477	BAYZKZUCHXCWKR-CQSZACIVSA-N	307.397	3.839	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1cc2ccccc2o1	814866785	FGRYARRGCIXOJN-ZDUSSCGKSA-N	309.369	3.868	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC2(CCC2)[C@H]1C1CCOCC1	823660534	MILPIOCOJQHJLN-RXEMRJGZSA-N	308.425	3.832	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)cc1	827176252	QIVDZZSUVGUGGB-RTBURBONSA-N	319.408	3.975	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1ccc(OCC)c(OC)c1	834929652	RZXKTRQHBXLLRT-UHFFFAOYSA-N	318.417	3.946	50	20	DHGD	
CCOCCC1(C(=O)NNc2cc(F)cc(Cl)c2)CCC1	855618750	PRMBNQQLWBVPJN-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
C[C@]1(CNCc2ccc(OC(F)F)cc2)C[C@H]1Br	856806255	CNUDGEYPXZVMJJ-DGCLKSJQSA-N	320.177	3.551	50	20	DHGD	
Cc1csc(C(=O)NC[C@@]2(C)C[C@@H]2Br)c1Cl	857391420	PQVIXWDKGZUQQH-WRWORJQWSA-N	322.655	3.613	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)C1CCC(F)(F)CC1	885137365	VGKZGEOBWGASKB-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
O=C(NN=C1CCSc2ccc(Cl)cc21)C1CCCC1	914835601	OBFSJHRJKJXSHQ-UHFFFAOYSA-N	308.834	3.846	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCc3ccccc32)c2ccccc2n1	915922491	QZXALSIRYPMRJE-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2)c(C)n1C1CC1	916253940	UFRNJKUKQZBRFN-UHFFFAOYSA-N	315.804	3.857	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1O)c1cccc(Cl)c1	916269896	AKYPQYNYFAPTDN-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(Cl)cc1)c1cccs1	916302246	OWXCLPIDFFEPNN-UHFFFAOYSA-N	322.817	3.711	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1	916645544	ICMFIVDTQUIOKT-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
CC(C)C(=O)NN=C1CCCOc2c1ccc(Cl)c2Cl	921139036	FDPKJGGQIQZEMB-UHFFFAOYSA-N	315.200	3.642	50	20	DHGD	
CC[C@@H](C)c1nc([C@@H](C)NC(=O)c2cccc(CCl)c2)n[nH]1	1120637032	XYTJJBQMPZCPLV-GHMZBOCLSA-N	320.824	3.548	50	20	DHGD	
C[C@]1(COC(=O)[C@@H]2CCCC(F)(F)C2)C[C@@H]1Br	1515797434	HIPFNLDCAZCFIY-WCABBAIRSA-N	311.166	3.529	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cncc(C(=O)O)c2)cc1	1776127612	YKNIDHCUSQZJNG-PXNMLYILSA-N	320.348	3.522	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C/C(=O)O)o1)c1nc2ccccc2o1	1777566118	OVSLKRSPAACNFJ-MFDVASPDSA-N	306.277	3.583	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OC[C@H]2CC2(Cl)Cl)cc1	26370918	KPFANURGDCWDIS-XEVNVYFWSA-N	310.180	3.639	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ncccc1C(F)(F)F	119602489	AQIHPGLRVISNSQ-JXMROGBWSA-N	306.243	3.792	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(OC(F)F)cc1)C(C)C	122903599	GVSTWUIHOAUBOF-LLVKDONJSA-N	300.349	3.803	50	20	DHGD	
CCC1(C(=O)NNc2cc(C(F)(F)F)ccc2F)CCC1	128764414	PBOVTGBMKSNFLT-UHFFFAOYSA-N	304.287	3.868	50	20	DHGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)NC1CCCC1	128784521	GIVBVLSCKCEYMM-UKTHLTGXSA-N	315.442	3.766	50	20	DHGD	
CC(C)COc1ncccc1C(=O)NNc1ccccc1Cl	158299449	HNBMKUAGPWGBMD-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@@H]1c1cccc(F)c1F	158565410	ZLFFFCOEZKKXHA-MNOVXSKESA-N	322.742	3.865	50	20	DHGD	
Cc1ncccc1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	171418188	HIGUKALFJPRMCX-GDNBJRDFSA-N	301.349	3.970	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc3ncsc3c2)c1	177366272	JWPDFHRLOBSGGA-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2nc3ccccc3cc2C)c1	181315017	VOZBUMQUEDZLOP-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1cccc(NNC(=O)c2ncoc2-c2ccc(F)cc2)c1	184462285	MYWYWKKPGNEVNA-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccccc2OC(F)(F)F)o1	190231792	WSZWAZSNYBRYSC-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
CC(=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc[nH]1	254875462	WYBQMUSWUZQMQN-UHFFFAOYSA-N	320.396	3.576	50	20	DHGD	
CCCOc1ccc(C(=O)/C=C\c2cnn(CCCl)c2)cc1	255281691	YLZWTYBPILCIJM-BAQGIRSFSA-N	318.804	3.807	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)CCC1CCCCC1)c1ccccc1	727348250	VEKQXSRTKILJFF-QGZVFWFLSA-N	316.445	3.688	50	20	DHGD	
CCC[C@H](Cc1ccccc1)NC(=O)NNc1cccc(C#N)c1	727945930	XADBFXQNRJNSTA-QGZVFWFLSA-N	322.412	3.596	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2sc(C)nc2C)cc1	729206343	PEJMEVWEHRHXKQ-NVNXTCNLSA-N	312.394	3.719	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccccn2)o1	734296022	MKUKVMYPZWFGRF-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@@H](C2CC2)C1	737422791	LECPYFAOKWEHIF-GXTWGEPZSA-N	318.392	3.665	50	20	DHGD	
C[C@H]1CCCCC1=NNC(=O)c1cccc(Br)c1	741769894	OILIWESNRQXRKF-JTQLQIEISA-N	309.207	3.745	50	20	DHGD	
CCC(=NNC(=O)COc1ccccc1F)C1CCCCC1	750919564	MCLCVGZCTVTTFH-UHFFFAOYSA-N	306.381	3.667	50	20	DHGD	
CC(C[C@H]1CCOC1)=NNC(=O)Nc1ccc(C)cc1Cl	751529640	RKNHKELGHFRRQW-GFCCVEGCSA-N	309.797	3.572	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)Cc2ccc(Cl)cc21	762446004	COFOSEDQRAGJDW-XGICHPGQSA-N	307.180	3.598	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OC[C@@H]1CC1(Cl)Cl	766749710	DKSZGFFFTZMONT-BQBZGAKWSA-N	318.038	3.533	50	20	DHGD	
O=C(NN=CCCCc1cccc(C(F)(F)F)c1)c1ccc[nH]1	769777306	HXQKNXNAHRAYLP-UHFFFAOYSA-N	323.318	3.772	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H]1CCCc2sccc21	771352677	LBGGTRBGMXOXCU-CYBMUJFWSA-N	319.405	3.899	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)OC1CCCCC1	777872358	RMOFIASCMDOMDZ-XYOKQWHBSA-N	318.304	3.517	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2cccc(Cl)c2)cc1C	778224645	BYHVLGAENZSPTG-JTQLQIEISA-N	306.797	3.573	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2cc(F)c(F)cc2F)C[C@@H](C)C1	780520614	SAJHTKDYVPZPFT-IUCAKERBSA-N	300.324	3.619	50	20	DHGD	
C=CCCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	786672387	WSQDXUGIJMSTDR-WOJGMQOQSA-N	313.445	3.702	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCCN2c2ccccc2)c(C)c1	787461796	PIWBPTXBGYTOSZ-GOSISDBHSA-N	323.440	3.724	50	20	DHGD	
O=C(NN=C1CCC12CCCC2)c1cccc(OC(F)F)c1	788713684	GMJQVPVQBQNYNV-UHFFFAOYSA-N	308.328	3.728	50	20	DHGD	
CCC1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCCCC1	791068973	AEPPMSRSCVLCLH-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1Cl)C(=O)[C@H]1CCCOC1	794881304	CBAYRBPOHWDWIX-PQTFEYQYSA-N	310.180	3.896	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1C	798313900	WUFCREOFKFPUIL-CQSZACIVSA-N	305.422	3.754	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cnn(C(C)(C)C)c1	799403620	NIRIFLPCTUTBRO-UHFFFAOYSA-N	315.421	3.658	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNC(=O)Nc1ccc(Cl)cc1	802020172	KUJGUIOUGFURIP-NEPJUHHUSA-N	323.824	3.709	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1coc2ccccc12	803360185	DBZIMANMXNVDDB-UHFFFAOYSA-N	308.381	3.989	50	20	DHGD	
CC1(C)CC[C@H]1NC(=O)NNc1ccccc1C(F)(F)F	807574815	JBDGBOVOXNLQIW-LLVKDONJSA-N	301.312	3.520	50	20	DHGD	
CC1(C)COc2ccc(C(=O)NNc3ccc(Cl)cc3)cc21	810683998	NQXCMZPIWKEGEN-UHFFFAOYSA-N	316.788	3.767	50	20	DHGD	
C/C(C=NNC(=O)CC(C)C)=C\c1ccccc1OC(F)F	811634486	QGBLQFVVRCKEEA-KEVIVJSNSA-N	310.344	3.839	50	20	DHGD	
Cc1csc(CCC(=O)NNc2c(C)cccc2C(C)C)n1	812767028	BDSRCAMILRJVGT-UHFFFAOYSA-N	317.458	3.959	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2CC[C@H]3C[C@H]23)ccc1Br	825855311	ULBHASFALVVFPO-GVXVVHGQSA-N	323.234	3.637	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Cl)c(C(C)C)n1	827511391	QRUZOTHTMMEKOS-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Cl)c(C2CC2)n1	836779896	VDXKDJOYCNVDOI-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
COc1cc(CC(=O)NNc2ccc(C(C)C)cc2)ccc1C	837056081	SSOQYGQPKLXUSS-UHFFFAOYSA-N	312.413	3.813	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)c1cc2c([nH]1)CCCC2	838345373	OHVPMGIDBOZLQF-UHFFFAOYSA-N	324.211	3.957	50	20	DHGD	
CN(NC(=O)c1ccc(-c2ccco2)s1)C(=O)OC(C)(C)C	838369257	FGLBHQFNFIIUAH-UHFFFAOYSA-N	322.386	3.520	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(C)o1)O[C@@H](C)C2	840723585	XWNKTTZNQOEYBP-QNKXHIPISA-N	323.348	3.710	50	20	DHGD	
CC[C@H](SC)C(=O)NNc1ccccc1Cc1ccccc1	846463933	JEZSATKFXKPCIC-KRWDZBQOSA-N	314.454	3.862	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(C(C)C)nc1C	848107927	AFDSKBLMOZUNDT-UHFFFAOYSA-N	314.433	3.961	50	20	DHGD	
C[C@]1(CNC(=O)Nc2cccc(Cl)c2)C[C@@H]1Br	856811232	LZMFGNCLITWFPF-CMPLNLGQSA-N	317.614	3.635	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863180326	KUMBJPYLDBWGRM-JXMROGBWSA-N	302.321	3.590	50	20	DHGD	
Cc1cc([C@@H](C)NS(=O)(=O)CC(C)(C)CCl)c(C)s1	866472627	BZSMTRUQXPHTGP-SNVBAGLBSA-N	323.911	3.610	50	20	DHGD	
CCC[C@@H](C(=O)NNc1c(F)cc(F)cc1F)c1ccccn1	885151809	NTBAXUXCMOARMA-LLVKDONJSA-N	323.318	3.526	50	20	DHGD	
Cc1oc(/C=C(/C#N)c2nc(C(C)C)cs2)cc1C(=O)O	899344344	QIIJAWYGZCKMKX-WMZJFQQLSA-N	302.355	3.930	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1ccc(F)cc1	921265535	JRPWGNPZVYKMAN-KPKJPENVSA-N	301.704	3.975	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1c1ccc(C(C)C)cc1	89359463	QIAQVVGXLPWXSN-MTMYEVCSSA-N	312.413	3.917	50	20	DHGD	
Cc1cccc(CC(=O)NNc2cccc(C(F)(F)F)c2)c1	103276694	YPVKSDUQGWPYMH-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1c(F)cccc1F	116170209	YWMSNKXZOQKDJZ-NWDGAFQWSA-N	322.742	3.865	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCC#N)c(OC)c1	125490337	XEHMEZSPSYZALR-OJNRTJSBSA-N	312.369	3.510	50	20	DHGD	
N#Cc1cccc(NC(=O)NNc2ccccc2C(F)(F)F)c1	132096126	VRBQDHMRWUTTKS-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
Cc1nc(C)c([C@H](C)N(C)C[C@@H](C)CBr)s1	133762285	ZEACOKHONGNOAM-WPRPVWTQSA-N	305.285	3.784	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2ccc(F)cc2F)c1	152861933	VZMQJHSVAQSZJJ-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(COC2CCCC2)cc1	159647640	UBYPJSKSNCWPTC-SQFISAMPSA-N	314.385	3.528	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1cccc2cnccc12	178496893	URJGGQMUOODGRG-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1cccc2ccccc12	184379157	AXDOXLVFPSGQJC-UHFFFAOYSA-N	308.356	3.973	50	20	DHGD	
O=C(CCCc1cccc(C(F)(F)F)c1)NNc1ccccn1	186321562	XXJRALVVYZAGMX-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2csc(C3CC3)n2)cc1	209258809	UQCVEUXKZJQMAF-MDWZMJQESA-N	309.394	3.875	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc(C)o1	254313221	PLXIHRLPOBYJTH-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(OC2CCC2)cc1	269599110	WYCRSRGIKXCBST-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
C=C(CBr)CN[C@@H](C)c1cccc(OC(F)F)c1	279700104	JIENDTCVXALDAU-JTQLQIEISA-N	320.177	3.890	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)[C@@H]1CCCOC1	280859428	CDBIGIAGUHVWEX-FMNNIJNLSA-N	309.287	3.608	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@]2(C#N)CC23CCCC3)cc1	296865014	VPQILSAVKXKVNJ-LJQANCHMSA-N	311.429	3.901	50	20	DHGD	
Cc1cc(NC(=O)NNC(=O)OC(C)(C)C)c2ccccc2c1	297355379	JPFOMOJVCWETOI-UHFFFAOYSA-N	315.373	3.709	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)CNc1ccccc1	730544907	FGLMQUPXIHBAJH-UHFFFAOYSA-N	321.380	3.557	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C(F)(F)c2ccccc2)c(C)c1	743765096	ZKLXFJDSWFMBLS-UHFFFAOYSA-N	304.340	3.847	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)CC1CCCC1	748740212	BZCRBURTXNOYLE-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1csc(-c2ccsc2)n1	749446182	CNCILWYILOSTFA-UHFFFAOYSA-N	319.455	3.902	50	20	DHGD	
C[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1(C)C	760132659	DYBADWHFOQDGDT-OJNRTJSBSA-N	300.377	3.627	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)C1CCCCC1	767713010	IRCUENROJNFZDG-BOPFTXTBSA-N	305.381	3.929	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	768311297	MDGASLJNZYXHFN-UHFFFAOYSA-N	313.323	3.846	50	20	DHGD	
Cc1c(C(=O)NNc2nc3ccccc3[nH]2)oc2c(C)cccc12	768500867	ARKOXOYMFSOTOQ-UHFFFAOYSA-N	320.352	3.683	50	20	DHGD	
C=C(C)COc1cccc(NC(=O)NNc2ccccc2F)c1	770000632	UCAZLGMHWRVKOP-UHFFFAOYSA-N	315.348	3.929	50	20	DHGD	
Cc1nc(C(=O)NNc2ccc(C(F)(F)F)cc2)sc1C	770646791	HLDXJRJFZUVPSE-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1nccnc1C(C)C	772894589	ZOZCKMMQEZWULB-CQSZACIVSA-N	312.417	3.545	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1cccc(Cl)c1	777292429	XQVHZOBOGJCVQA-UHFFFAOYSA-N	306.818	3.748	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@@H](C)c1ccncc1	777481641	NOZKTOMPXMUXKJ-CYBMUJFWSA-N	320.396	3.575	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2noc3c2CCCC3)cc1	780806027	QPKUEKQGLMNWNU-UHFFFAOYSA-N	313.401	3.608	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)C1CCCC1)O[C@@H](C)C2	781554314	MIRGFHCLZADNEA-LUMBYOQCSA-N	311.381	3.685	50	20	DHGD	
Cc1oc(-c2cccs2)nc1COC(=O)/C(C#N)=C/C1CC1	786674117	PKLWXRNERABGKQ-KPKJPENVSA-N	314.366	3.615	50	20	DHGD	
COc1cc(NNC(=O)/C=C/c2cccc(F)c2)ccc1Cl	790166381	XXTOJNWLVGGRBP-VMPITWQZSA-N	320.751	3.644	50	20	DHGD	
CSSCCNC(=O)CCCOc1ccccc1Cl	791099782	KKLYAAIXZFVCNN-UHFFFAOYSA-N	319.879	3.626	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NCCSSC)cc1	791150668	RRKZZUSMTIDWGS-UHFFFAOYSA-N	312.504	3.664	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](C)c1ccc(Cl)c(Cl)c1	791214722	LANAWKRXYSWNOS-SNVBAGLBSA-N	324.211	3.944	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(C)=C(C)C2)cc1	797761108	DFNSWAJAWULYSE-BOPFTXTBSA-N	310.397	3.561	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1coc(C(C)C)n1	799481677	FXSDLHMGZCFRHY-UHFFFAOYSA-N	323.755	3.745	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NC(C1CCC1)C1CCC1	804730978	RVMAURNACZEHQS-ZDUSSCGKSA-N	316.283	3.881	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(C2CCCC2)cc1	809982782	PCLYXTIZPGVBEH-UHFFFAOYSA-N	304.390	3.514	50	20	DHGD	
CC(C)(C)c1cnc(C=NNC(=O)c2cccc(Cl)c2)s1	814732241	DTRRNFCXHNYQHE-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1cc(Cl)ccc1OC(F)F	814990490	RVCWWMWYJDNOAI-UHFFFAOYSA-N	316.735	3.582	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C)c(F)c(C)c2)cc1	817908365	FENDMJSJWIGKHC-UHFFFAOYSA-N	302.349	3.598	50	20	DHGD	
COc1ccc(-c2ccccc2C)cc1C=NNC(=O)C(C)C	841613321	WBGJFEUGKOTZJW-UHFFFAOYSA-N	310.397	3.777	50	20	DHGD	
CO[C@H](C)CCC(=O)NNc1ccccc1Cc1ccccc1	846464844	UASZMGCJGWWUEE-OAHLLOKOSA-N	312.413	3.536	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2nc3ccccc3n2C)cc1	848379469	JYRNOEQVYMLMKG-CYBMUJFWSA-N	322.412	3.844	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)C1CCC(F)(F)CC1	852219906	ZCQFICZZHUWXCS-ZMLRMANQSA-N	310.226	3.964	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC2(CCCC2=O)CC1	852630325	COULUWYSHYVZKT-UHFFFAOYSA-N	311.542	3.843	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CC[C@H](C3CCC3)CC2)cc1	857115604	MUYJORGQDRUFAX-SHTZXODSSA-N	302.418	3.745	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	869240396	ZYNBIRIMBHNJES-NEPJUHHUSA-N	318.314	3.946	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)c2ccsc2)C1	912584191	FWVCHTUICVUTLX-CYBMUJFWSA-N	311.523	3.984	50	20	DHGD	
CC(C)CO[C@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	917528298	UUTWHIXKWBPONU-MRXNPFEDSA-N	324.424	3.616	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)C1CCCC1)CCO2	920372571	RCGUJIKLMHWRJB-UHFFFAOYSA-N	300.402	3.603	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1sc2ccccc2c1Cl	920829959	YGNPJYRMRVMOJU-UHFFFAOYSA-N	307.806	3.598	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C(F)(F)c1cccc(Cl)c1	921025224	SOYSNLOPWVQWTK-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)c1cncn1-c1ccccc1	1116365409	LGUSMHKTTQHEJP-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CN(C(=O)c1cccc(CCl)c1)[C@H](CCO)c1ccccc1	1120709108	LUFSSAGGYHAPSJ-QGZVFWFLSA-N	317.816	3.621	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc2c(c1)CCC2)c1ccccc1	1323269549	PCETXGDUKASIGQ-LJQANCHMSA-N	306.409	3.819	50	20	DHGD	
CC(C)(CC(=O)NNc1c(F)cccc1F)c1ccccc1	118515401	IXHRVSWGYDLPBO-UHFFFAOYSA-N	304.340	3.776	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc(OC(C)C)n2)c(C)c1	123655733	MWFAXASBCNLKAA-UHFFFAOYSA-N	313.401	3.551	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)c(C)n1C1CC1	128801485	BORDGYSXNXOHKZ-UHFFFAOYSA-N	323.318	3.614	50	20	DHGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1ccccc1F	153009039	IBTJQJOCDTXVRI-VAWYXSNFSA-N	307.328	3.530	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1ccc(F)cc1	155200058	SEMHMHQALIWZRJ-LFIBNONCSA-N	317.323	3.801	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	171157937	URRZJFTXKNNPIL-POHAHGRESA-N	316.710	3.792	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NNc1cc(F)c(F)cc1F	178538062	NBZQPFRBDHBBQK-UHFFFAOYSA-N	322.330	3.816	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1ccc2ccccc2n1	181155671	XXGMEIQLTYAJKI-UHFFFAOYSA-N	319.364	3.557	50	20	DHGD	
Cc1ccccc1C=NNC(=O)COc1ccc2ccccc2c1	257351534	FRGLFZGOUMLDCI-UHFFFAOYSA-N	318.376	3.677	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	490550308	TXQHNCOCZMKRRG-UXBLZVDNSA-N	314.694	3.568	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cn1	588597189	ATZQLBXBEKPWKD-SXGWCWSVSA-N	323.371	3.855	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	588598252	MYAXWXCNRHCEGQ-WPBJZHHJSA-N	320.323	3.906	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cccc(F)c1F	726501097	CVQKYZRKWVYOBC-UHFFFAOYSA-N	307.252	3.709	50	20	DHGD	
CC(C)N(CCC#N)C(=O)CCCC[C@H]1CCSS1	726533375	WZOLKVZVWSYVQY-ZDUSSCGKSA-N	300.493	3.851	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)COc3cccc(C)c3)C2)cc1	729816343	IINHINDSZBXWLF-UHFFFAOYSA-N	322.408	3.732	50	20	DHGD	
CCOC(=O)NN=C1CCCC[C@H]1c1ccc(OC)c(F)c1	732711027	YUAHSBHVWRDLME-LBPRGKRZSA-N	308.353	3.594	50	20	DHGD	
CCC(=NNC(=O)Cc1cccc2ccccc12)C1CCOCC1	745199542	DXDHODOROFQVHK-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C\c2ccccc2F)cc1Cl	753322321	GEVKBPXDSHSFHM-VURMDHGXSA-N	315.735	3.507	50	20	DHGD	
CC(C)Cc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)cc1	755033202	YYMUOGKHNHRNRM-BOPFTXTBSA-N	308.381	3.701	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1ccc2sccc2c1	760223699	KLWVGYVBXPFZMF-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)c2ccc(F)cc2)c2ccccc21	769730009	WNVVZKXKAXZIML-KAMYIIQDSA-N	319.339	3.985	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)c1cccc(F)c1	773171029	KUXSDICXJNLJOT-TWGQIWQCSA-N	324.142	3.656	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2cc(Cl)ccn2)cc1	778453141	LFYWVDQFFNBKPA-UHFFFAOYSA-N	317.820	3.619	50	20	DHGD	
O=C(CCCc1ccc(O)c(F)c1)NNc1ccccc1Cl	787134987	MUVGNIGBWZREQI-UHFFFAOYSA-N	322.767	3.651	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@](C)(c2ccccc2)C1	790877492	ZIOBVSUEHBIGFJ-INIZCTEOSA-N	324.515	3.761	50	20	DHGD	
CSSCCNC(=O)C1(c2ccc(F)cc2F)CCC1	791152766	OIHIXSNCPBNZEH-UHFFFAOYSA-N	317.426	3.514	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	794474402	MFJSFMGLEYVDDM-LJQANCHMSA-N	323.440	3.908	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC(c3ccccc3)CC2)n1	794566547	MGDMMFZXUPVFLG-UHFFFAOYSA-N	307.397	3.834	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccnc(F)c1	794911620	KLLRWUCHAIIHQF-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CCCN(N=Cc1ccc2c(c1)CCO2)C(=O)OC(C)(C)C	794997521	VIOTYMFKQVXQNU-UHFFFAOYSA-N	304.390	3.603	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	797338167	PVONMNAWLGUILU-UKTHLTGXSA-N	310.319	3.919	50	20	DHGD	
C=CC[C@H](CC)NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	798551312	QLZGWKGMKHCZRE-WQJNHMDYSA-N	313.445	3.893	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1ccc(F)cc1F	798981577	MZGKMSRRHYMFAG-UHFFFAOYSA-N	316.351	3.992	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1coc(C)n1	808077699	IIWOKPREHOUXMO-UHFFFAOYSA-N	315.398	3.933	50	20	DHGD	
O=C(CC1CC1)NN=CCCOc1ccc(Cl)c(Cl)c1	814988919	CGIMWQJPVZRMGD-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
C/C(=C\C(=O)NNc1cccc(Cl)n1)c1ccccc1Cl	817010203	RARRTQXLPKFKAD-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1cnccn1)=C\c1ccccc1	818284295	UEEDNNPTNGASBP-CETTVKAVSA-N	322.412	3.856	50	20	DHGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1ccccc1Br	819409989	OSGMUWRFYIZWKU-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1cc(Cl)ccc1Cl	828549168	KMZUXXAVMYKXNK-XCBNKYQSSA-N	320.245	3.514	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)o2)c2c(c1)C[C@H](C)O2	840723309	VSPFFSLMLYWEQT-QNKXHIPISA-N	323.348	3.710	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2Cc2ccccc2)CC1(F)F	846462625	WCDJQQPJJDUZSZ-KRWDZBQOSA-N	316.351	3.766	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)c(C)c1	849177855	SPRDQGYPVOOEHM-LFIBNONCSA-N	324.380	3.600	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc3c4c([nH]c23)CCCC4)n1	862524692	QVAVJZSMOOIZNH-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2cccnc2Cl)cc1	867291852	OLBRUJPFMPXWNB-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1ccc(Cl)cc1F	885106757	HSXYKIYWPQPKNL-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
Cc1ccncc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912580092	NXCJUEDHOYHUHD-CQSZACIVSA-N	320.509	3.626	50	20	DHGD	
C=CCOc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	914439358	HIMDRUVQYIDOKT-UHFFFAOYSA-N	313.309	3.687	50	20	DHGD	
CCC(=NNC(=O)c1ccccn1)c1ccc(Cl)c(Cl)c1	916245387	TYWUFKXRCNRMML-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)c1ccc(Cl)cc1	916253997	AOAYGDALTLNHNQ-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
Cc1[nH]c2ccccc2c1CCNC(=O)C1CCC(Cl)CC1	1346410962	GDDDIHGVTBJEQO-UHFFFAOYSA-N	318.848	3.933	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cn(C)nc2C(F)F)cc1	1517950413	BKLYXFSBRCJCJG-UHFFFAOYSA-N	323.347	3.630	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(N(C)C)cc1)c1ccccc1	5931734	TVMSPDJUGJVUIH-LUJRCDHRSA-N	319.408	3.537	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc3ccc(Cl)cc3n2)c1	84383737	GPTIJSDFKXGTJT-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3cccnc3Cl)oc2cc1C	85685862	KHYIDFKLUPSLCY-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
O=C(C#Cc1ccccc1)NNc1c(Cl)cc(F)cc1Cl	126293879	TZFUABGXPSUDJQ-UHFFFAOYSA-N	323.154	3.627	50	20	DHGD	
CSCc1ccccc1NC(=O)NNc1ccc(C#N)cc1	128245408	MCTHZSKKNMOEMI-UHFFFAOYSA-N	312.398	3.570	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCC(=O)c2ccc(C)s2)c1	150765744	RFLQAFZMUNQEPJ-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
O=C(Cc1cccc(Cl)c1)NNc1ccc(Cl)c(F)c1	175400160	PAWHECAQFHPQJI-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
O=C(CC[C@H]1CCOC1)NN(Cc1ccccc1)c1ccccc1	176422355	IOAZMCQLLCUWDY-SFHVURJKSA-N	324.424	3.541	50	20	DHGD	
Cc1ccnc(NNC(=O)CCc2ccc(Cl)cc2Cl)c1	176727831	LPXNTBBHFZCPGD-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(F)cc1C(F)(F)F	178765245	AZSSBXOCWQWSHO-YHYXMXQVSA-N	301.239	3.703	50	20	DHGD	
Cc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1C	181304144	NUCUXRRVIBKDRM-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
COc1cccc(C)c1NC(=O)NNc1cccc(Cl)c1	195026610	PNVLJKNFTUTBHR-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)C(C)(C)C)c1	195193370	RTILUVJZNQOGPZ-RVDMUPIBSA-N	301.386	3.624	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccnc2Cl)c(C)c1	255742580	XKGDFDADQPDRAC-ZROIWOOFSA-N	311.772	3.898	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc([C@@H]2CCOC2)c1	281684983	FQEKKMJRHHMINM-GOSISDBHSA-N	324.424	3.818	50	20	DHGD	
CCSc1ccc(Cl)cc1C(=O)NCC(Cl)Cl	294681279	MXJHAIJXQPXQIZ-UHFFFAOYSA-N	312.649	3.986	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c(F)ccc(O)c2F)c1	490697953	RDZUGFZYQIFXIX-FLIBITNWSA-N	314.291	3.525	50	20	DHGD	
COC(=O)N(C)N=C(C)CC(C)(C)c1c[nH]c2ccccc12	495677601	PWCBBGMQHKWJHE-UHFFFAOYSA-N	301.390	3.910	50	20	DHGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)c1cc(F)cc(F)c1	588597187	ATSFUWVRLHYJIG-NYYWCZLTSA-N	300.289	3.688	50	20	DHGD	
CCCCCOc1ccc(C(C)=NNC(=O)c2ccc[nH]2)cc1	725854264	DWGMHZOBXCFXLM-UHFFFAOYSA-N	313.401	3.738	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)C[C@@H]1C[C@@H](C)CC(C)(C)C1	727366520	KZLLTCPLJVUFGI-HIFRSBDPSA-N	316.445	3.609	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)NC1CCCCC1	727671666	IBQJRAAYMPQZCR-CQSZACIVSA-N	311.470	3.646	50	20	DHGD	
CN(NC(=O)C[C@H](c1ccccc1)C(F)(F)F)c1ccccc1	728599803	JNIWTKLTHXCFLX-OAHLLOKOSA-N	322.330	3.890	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=CC1CCCC1	741838184	QIEDHIYCJWOYJH-AWEZNQCLSA-N	310.397	3.899	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1cc(C)c(C)cc1C	747050457	DEGJCPGIOFQGDD-UHFFFAOYSA-N	305.381	3.638	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)o1	751514646	UOPWKWJFEUPHKX-XFXZXTDPSA-N	321.336	3.705	50	20	DHGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1cc(C(F)(F)F)ccc1F	754641991	UFUAKTHYAHDFNQ-KCJUWKMLSA-N	319.302	3.659	50	20	DHGD	
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NNc1ccccc1	770077874	RVMUKIIDZJZSSQ-MRXNPFEDSA-N	318.804	3.887	50	20	DHGD	
CO[C@@H]1CCC[C@H]1CNC(=O)CCCC[C@@H]1CCSS1	775245926	QOTLGGCSJRPVBL-BFHYXJOUSA-N	317.520	3.632	50	20	DHGD	
CC(C)CCCNC(=O)NNc1ccccc1OC(F)(F)F	779524501	SDTJAKLDENZSMO-UHFFFAOYSA-N	319.327	3.648	50	20	DHGD	
COCC(=NNC(=O)c1ccc2ccccc2c1)C1CCCC1	780212642	SPRAPASHSDWHFV-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc2[nH]ccc2c1	781069199	UWGONGXQBUVSGU-GFCCVEGCSA-N	309.207	3.916	50	20	DHGD	
CCN(Cc1ccccc1)C(=O)[C@H](Br)C(C)(C)C	781071153	RWWMVENBUYASAW-ZDUSSCGKSA-N	312.251	3.845	50	20	DHGD	
CC(C)NC(=O)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12	790159511	IHNPECXGGSRCJM-UHFFFAOYSA-N	313.188	3.516	50	20	DHGD	
CC(C)(C)[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	794349086	VRDBEBWTHPLBHT-QZFKAFNDSA-N	312.413	3.584	50	20	DHGD	
O=C(NN=CCCc1ccc(-c2ccccc2)cc1)C(F)F	794929518	UPZBYXDZZYKJJG-UHFFFAOYSA-N	302.324	3.653	50	20	DHGD	
COC[C@H]1CCCN(Cc2ccc(OCCCCl)cc2)C1	798184731	DAPYEFJXGYGOBA-INIZCTEOSA-N	311.853	3.553	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@H]2CCCC[C@H]21	802822765	DIVDTKCMCLOIOK-DAXOMENPSA-N	317.389	3.644	50	20	DHGD	
O=C(Cc1ccc(-c2ccccc2)cc1)NNc1ncccc1F	804219772	GHVMVXJEDANVNB-UHFFFAOYSA-N	321.355	3.574	50	20	DHGD	
CCN1CCCC[C@H]1CNCc1ccc(OCCCCl)cc1	811480138	QOWQGQLIWNOXCN-KRWDZBQOSA-N	324.896	3.658	50	20	DHGD	
C[C@@H]1C[C@@H](CNCc2ccc(OCCCCl)cc2)CCO1	811487063	STCSKWXWOKRWJM-ZBFHGGJFSA-N	311.853	3.599	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CCC(CSC)CC2)cc1	834928837	ZEUKNHMUHBGUTR-UHFFFAOYSA-N	304.459	3.888	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@H](C)CC[C@H]2C)o1	834950323	QAQIFFNETYZZQA-ZIAGYGMSSA-N	319.449	3.663	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@@H](C)c1c(C)n[nH]c1C	836934323	UCKBWBIPHGTPRJ-SNVBAGLBSA-N	320.824	3.625	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)N[C@H]1CCC(F)(F)C1	838521430	WXLUETRGMUAOQA-ZETCQYMHSA-N	324.158	3.807	50	20	DHGD	
O=C(NC[C@@H]1CCCC1(F)F)NNc1c(F)cccc1Cl	838672642	INVCEDGSORCFGS-QMMMGPOBSA-N	321.730	3.541	50	20	DHGD	
COc1cc(F)cc(OC)c1/C=C(\C#N)c1nc(C)c(C)s1	865220581	MTOFEXAGYNIPGM-VZUCSPMQSA-N	318.373	3.980	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1nnc(C(C)(C)C)s1	885126836	HZSCHXUFXYSKHV-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccc(C(C)C)nc1O	885128176	NMFLDQGSFQEHBE-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
Cc1cccc(OCCCCC(=O)NN(C)c2ccccc2)c1	920034065	YYDLZSOMEDYZBA-UHFFFAOYSA-N	312.413	3.712	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1cnn(C2CCC2)c1	934304058	NDWFSYGUBKOQBN-UHFFFAOYSA-N	319.796	3.719	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Cl)cc2O)cc1Cl	1115831639	UFSWBODZRVDDFH-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
CN(C)c1ncccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	1117392477	RYAIIRFZBFTLEK-FLIBITNWSA-N	317.801	3.652	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2ccco2)n1	1338233260	IXBAKBSQLVYVHA-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1ccccc1[N+](=O)[O-]	53061365	KPHGRGGIEUKSBV-UHFFFAOYSA-N	305.359	3.537	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2cccc(Cl)c2)cc1	61375841	OFYLZCISHQKKCQ-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1C[C@H]1C1CC1	124499902	WPTWRBNSASYBRA-DTWKUNHWSA-N	303.164	3.622	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2Oc2cccnc2)cc1	158677917	FKUOFJIYWSCRHS-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
Cc1ccc(NNC(=O)c2ncoc2-c2ccc(C)cc2)cc1	158695570	RJPFSAOKFAZJEJ-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2cc(C)ccc2C)cc1	159151760	OFEQVIBHIVTURH-UHFFFAOYSA-N	311.429	3.907	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1sccc1-n1cccc1	160996106	OEAGFAIPUATSAY-UHFFFAOYSA-N	315.373	3.743	50	20	DHGD	
CC(C)CCC(=O)NNc1c(F)cc(F)cc1Br	174179731	XBWKXMRKFCXBCT-UHFFFAOYSA-N	321.165	3.607	50	20	DHGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1ccsc1	179610747	CGUANMLGQJBRPC-GXDHUFHOSA-N	305.362	3.724	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1	191361033	ZBUOEINGYKAOGR-RVDMUPIBSA-N	300.365	3.760	50	20	DHGD	
C=CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	255598748	GHVOHTRGZZXTJC-PTNGSMBKSA-N	320.348	3.503	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(SC(F)(F)F)cc2)CC1	271133703	QSMZBRLBXGKREY-UHFFFAOYSA-N	312.316	3.594	50	20	DHGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)N1CC=C(C#N)CC1	271137996	RPJGSLITRVSUIQ-OAHLLOKOSA-N	311.429	3.747	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2F)cc1	490753513	KQBGXUVWXSSZEQ-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C/c1ccc2[nH]ccc2c1	492317521	KCBQRPYWVJCEJK-XVNBXDOJSA-N	309.344	3.772	50	20	DHGD	
Cc1ncsc1/C=C/C(=O)NNc1ccc(C(C)C)cc1	493237089	UHDGTYZCGARKOC-CMDGGOBGSA-N	301.415	3.731	50	20	DHGD	
CCOCC(C)=NNC(=O)c1ccc(-c2ccc(F)cc2)s1	726423759	KBJXXRNLRJJTPA-UHFFFAOYSA-N	320.389	3.696	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCO2	726430274	XWQRCWXTYFNEJN-GWHHBTOMSA-N	305.761	3.633	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2ccc(F)cc2C)o1	734298542	GSIADKZVODJUQG-LLVKDONJSA-N	302.349	3.890	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCc2ccc(C)cc2)cc1	735396490	DXXOFWGEYFJUJN-CPNJWEJPSA-N	305.377	3.996	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OCCc2ccc(C)cc2)c1	735399462	JWTMMPUSLRGSKQ-LDADJPATSA-N	321.376	3.697	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1C[C@@H](OCC(C)C)C1(C)C	737427063	HKCNUSWILARWDM-MRXNPFEDSA-N	302.418	3.552	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)c2cccc(C#N)c2)C1	743439839	NYMKRKVKZVLDGX-UHFFFAOYSA-N	303.365	3.530	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(Cl)nc1)c1ccc(C)cc1	745301029	YQYMDQUXVZHPAV-AWEZNQCLSA-N	318.808	3.821	50	20	DHGD	
Cc1ccc2c(CCC(=O)NNc3cccc(F)c3)c[nH]c2c1	748089181	HOJYNDAXRXPEDH-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNC(=O)c2ccc3ccccc3c2)C1	749848996	RXTVQXKDJCCRHZ-CABCVRRESA-N	324.424	3.817	50	20	DHGD	
O=C(C[C@@H]1CCCCO1)NN=C(c1ccccc1)c1ccccc1	755086707	YNTWDIMWWMYKMN-SFHVURJKSA-N	322.408	3.514	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1C[C@@H](C)C[C@@H](C)C1	761274893	WKLLOIKJPFJPFU-BETUJISGSA-N	320.458	3.716	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)[C@H](CC)c1ccccc1	765575902	JKAKJHUZMTZABL-QGZVFWFLSA-N	309.413	3.678	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1F)c1cccc(Cl)c1	783511810	NSFXFGOFYZPZPN-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)c1	786055118	BDTLJYHMSSCKLB-WQRHYEAKSA-N	320.392	3.617	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788406774	CKIPNJUIGMAPSK-NWDGAFQWSA-N	319.817	3.706	50	20	DHGD	
C[C@H](C=NNC(=O)C(C)(C)C)c1ccc(C(F)(F)F)cc1	788991199	GAGYISKLPVDJLT-SNVBAGLBSA-N	300.324	3.957	50	20	DHGD	
C=C(CBr)CN(CCC)Cc1ccc(F)cc1	791452330	IHFGDJNTLGPMSK-UHFFFAOYSA-N	300.215	3.989	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1ccccc1F	792261387	VJXFLOFLISVZGD-UHFFFAOYSA-N	304.390	3.592	50	20	DHGD	
CCCn1ccc2cc(NC(=O)NNc3ncccc3C)ccc21	792295834	UXACSZBGJMOWNG-UHFFFAOYSA-N	323.400	3.903	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)[C@H](C)c1ccc(Cl)cc1	794497707	URNKOKUGBGUQOO-QMMMGPOBSA-N	306.715	3.888	50	20	DHGD	
CCCN(N=C(C)c1ccccc1[N+](=O)[O-])C(=O)OC(C)(C)C	794995639	LSJLFFBRLJYUSX-UHFFFAOYSA-N	321.377	3.966	50	20	DHGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)CC(C)(C)C)C1	799112509	SBDBYCDQUMJEDA-AWEZNQCLSA-N	301.434	3.956	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(NCC2CC2)nc1	800696367	QKXJNKMXOMLXQZ-UHFFFAOYSA-N	324.428	3.531	50	20	DHGD	
Cn1cnc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)c1	800793053	GTGVMHJDNHBAFH-UITAMQMPSA-N	306.152	3.517	50	20	DHGD	
CSSCCNC(=O)c1c(Cl)c2ccccc2n1C	803473490	SVSQDHZAVPIADP-UHFFFAOYSA-N	314.863	3.573	50	20	DHGD	
CSC1(C=NNC(=O)Nc2ccc(Cl)cc2Cl)CC1	814995508	JZSOJMDTHDXTAQ-UHFFFAOYSA-N	318.229	3.996	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2cccc(Cl)n2)cc1	817005967	QPAQRXWQMANMMP-UHFFFAOYSA-N	321.833	3.669	50	20	DHGD	
Cc1csc(-c2cccc(C(=O)NCC(Cl)Cl)c2)n1	819794756	NVGPUOZIKGNQGG-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
Cc1cc(NC(=O)NNC(=O)CC(C)(C)C)c2ccccc2c1	836714765	CHJMWXSEZWTYBU-UHFFFAOYSA-N	313.401	3.737	50	20	DHGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CC[C@H](c2cccc(Cl)c2)C1	842550160	WCMQRSFBXOTJEG-RBOXIYTFSA-N	320.820	3.505	50	20	DHGD	
N#C/C(=C\c1nccn1CC(F)(F)F)c1nc(C2CC2)cs1	843273671	SGOMUIIHGWLHSU-BJMVGYQFSA-N	324.331	3.843	50	20	DHGD	
CCC(C)(C)N1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	847039220	YGPQLERJQNMOBD-UHFFFAOYSA-N	314.590	3.814	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccccn1)c1cccc(Cl)c1	860627786	PIKVFWWRKIUKHD-CQSZACIVSA-N	303.793	3.762	50	20	DHGD	
CON(C)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	875105012	PAXPAYLOASQPJG-WJDWOHSUSA-N	315.417	3.537	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)c1scnc1C1CCCC1	885113245	TWFRPDQCEXDVPT-UHFFFAOYSA-N	323.368	3.836	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)CC(C)C)c(C)n1CC(C)C	914527805	OSNZCHVOYRITAP-NVMNQCDNSA-N	315.461	3.782	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1595632252	UOXQIHQIXFRLNV-SNVBAGLBSA-N	312.797	3.698	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc(C)c1O	7157261	KFVFVVBPUJKLPH-LZNAANCOSA-N	320.392	3.793	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	33471288	MYFGLQNCMOYDGW-BOPFTXTBSA-N	308.381	3.672	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Cl)c(N)c(Cl)c2)c1	134557979	TZYDNJAEMIHFMK-UHFFFAOYSA-N	310.184	3.641	50	20	DHGD	
Cc1cc2cc(NC(=O)NNc3c(F)cccc3F)ccc2[nH]1	159651780	ZUEYNLLKKRMPSU-UHFFFAOYSA-N	316.311	3.903	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(F)c(Cl)cc1F	163800459	AFVCQYXDUPILAP-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)cc1	172044348	FAMCXUGYVPZFLA-ZDLGFXPLSA-N	320.392	3.541	50	20	DHGD	
CC(C)OCCCCNC(=O)NNc1ccc(C(C)(C)C)cc1	182801142	LTCRGWODGMXCOS-UHFFFAOYSA-N	321.465	3.815	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1	184839840	VYVJCFXMROSVOH-LDADJPATSA-N	321.376	3.810	50	20	DHGD	
CN(C)C(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186147812	KAILGJONUKHWMT-UHFFFAOYSA-N	304.284	3.844	50	20	DHGD	
Cc1cc2oc(=O)cc(CN3CC=C(C#N)CC3)c2cc1C(C)C	272648334	MOYBMJNUJZTNRD-UHFFFAOYSA-N	322.408	3.881	50	20	DHGD	
CCSc1ccccc1OS(=O)(=O)CCCCCl	275806275	PXYNSOMHFWNIPG-UHFFFAOYSA-N	308.852	3.526	50	20	DHGD	
CSSCCNC(=O)N(C)[C@H](C)c1ccc(F)cc1	284190554	LQVQJFLGGXFAQW-SNVBAGLBSA-N	302.440	3.539	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3c(c2)CCCCC3=O)c1	291262311	KWADCGQYDPAYKM-UHFFFAOYSA-N	322.408	3.969	50	20	DHGD	
C[C@@H](CBr)CN(C)CCc1ccc(Cl)cc1	708382931	LLIBPZILILEXRZ-NSHDSACASA-N	304.659	3.845	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@H](C)C2	728440857	WQBHGNRPQRSTOC-VJMCZWTHSA-N	313.397	3.931	50	20	DHGD	
N#C/C(=C\c1cn(-c2ccccc2)nn1)c1ccc2ccccc2n1	728699624	WABHGVRPYCVQKP-FOWTUZBSSA-N	323.359	3.880	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)NC1CCCCC1	733947756	GQTANHDCCAZOFM-HNNXBMFYSA-N	323.481	3.646	50	20	DHGD	
Cc1ccc(F)c(C=NNC(=O)Cc2cccc3ccccc23)c1	734978567	MMHCSBCTCUJNJL-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
Cc1ccc2c(c1)C(=NNC(=O)Nc1ccc(N(C)C)cc1)CC2	741765214	UKOJBZDSDWPRQM-UHFFFAOYSA-N	322.412	3.533	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2ccc(Cl)nc2)cc1	743818269	PXKOZKOTOBGBLZ-UHFFFAOYSA-N	317.820	3.934	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1cccc(-c2ccccc2)c1	746485208	SMSHTCIOAPVVKL-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)CN1CCCCC1)C1CCCCC1	750935108	MUKIAASFGIDPKZ-HNNXBMFYSA-N	307.482	3.571	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC(C)(C)c1ccc(C(C)(C)C)cc1	752285622	CZOWYGAREKPFGA-BUHFOSPRSA-N	314.429	3.779	50	20	DHGD	
CCCCCC(C)(C)CNC(=O)NNC(=O)c1ccccc1C	755085365	SBNDPEQHJGYGJI-UHFFFAOYSA-N	319.449	3.546	50	20	DHGD	
CCCCc1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1	755363214	TZIMKACTEFOBQI-UHFFFAOYSA-N	317.433	3.762	50	20	DHGD	
C[C@H](CC=NNC(=O)CNc1ccccc1F)c1ccccc1	755503862	GPFPXZUWSZRWNX-CQSZACIVSA-N	313.376	3.533	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	761359708	GPFIXAPEMKGTTB-ZDUSSCGKSA-N	321.490	3.693	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)cc21	764322935	LBURKYPWXOMDQK-APSNUPSMSA-N	309.300	3.661	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(Cl)cc1	768717432	YCTXOIVINCHCDQ-WFASDCNBSA-N	310.825	3.769	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H](F)c1ccccc1	769605640	MCKIMMLYTWALFP-ZDUSSCGKSA-N	312.266	3.859	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cc(Cl)ccn3)CCC2)c1	778449356	KQCJZLAARJWIFL-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@@](C)(c2ccccc2)C1	780224851	JKEVNYFDKCUXSC-HXUWFJFHSA-N	322.408	3.923	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1OC	781099230	DYQPOOOQEILCNT-LDADJPATSA-N	320.392	3.795	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](c2ccccc2C)C[C@@H]1C	790878018	KJONWKBVPNDIME-UONOGXRCSA-N	324.515	3.894	50	20	DHGD	
Cc1cccnc1NNC(=O)CCc1ccc(-c2ccccc2)o1	791224063	NUFCVNORCJDVDB-UHFFFAOYSA-N	321.380	3.726	50	20	DHGD	
O=C(CCCc1ccccn1)NNc1cc(Cl)cc(Cl)c1	791720960	VEUPUWYNZUSIRY-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)C1CCOCC1	794958691	NSGWNZSZMOBNDZ-UKTHLTGXSA-N	323.364	3.904	50	20	DHGD	
C[C@@H]1CC[C@H](C=NNC(=O)Nc2ccc(OC(F)F)cc2)C1	800812252	AKQDBINSNSIWME-MNOVXSKESA-N	311.332	3.832	50	20	DHGD	
COc1cc(NNC(=O)c2cc[nH]c2C(C)C)ccc1Cl	803261884	MIBJLCYSOROKOL-UHFFFAOYSA-N	307.781	3.557	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C1(F)CCCCC1	810919857	YYAYYFRFWUTOOR-UHFFFAOYSA-N	301.365	3.659	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)c1ccc(Cl)nc1	814809180	QKZGROMMYHSBRT-CYBMUJFWSA-N	313.788	3.789	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(C#N)c(Cl)c2)CCCC1	828349196	PVAYDHIMMMWVHO-UHFFFAOYSA-N	303.793	3.791	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccc(F)cc2OC)cc1	846642370	CZRARYMHBYOSDJ-GFCCVEGCSA-N	316.376	3.644	50	20	DHGD	
N#CC[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	855260239	UGADDZWDWSCKTI-ZIAGYGMSSA-N	312.504	3.853	50	20	DHGD	
C[C@H](CCc1ccsc1)NC[C@]1(C)C[C@H]1Br	857064039	BSCOTEONTNQOMT-RTXFEEFZSA-N	302.281	3.832	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(C#N)c(F)c1	857083721	ZFAVLQWDSSESDU-CUOATXAZSA-N	311.198	3.521	50	20	DHGD	
Cc1cccc(NNC(=O)CCCc2cc(C)sc2C)n1	862522329	QLNQYLMNUDRWGI-UHFFFAOYSA-N	303.431	3.534	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@H](C)c1ccncc1	885124772	DEGAWCJYGFMBRA-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)CSc1nc(C)cc(C)n1	915937584	QXAYGSOQCZYYCE-LLVKDONJSA-N	322.478	3.504	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2ccc3ccccc3n2)cc1C	916243962	FILUHBAASWUPMJ-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
O=C(NNc1ccccn1)c1ccc2c(c1)oc1ccccc12	1117448102	MEGMEYISICZPDU-UHFFFAOYSA-N	303.321	3.738	50	20	DHGD	
O=C(NN=C1CCC2(CCOCC2)CC1)c1ccccc1Cl	1318978084	UKJMIXPNPMSKTP-UHFFFAOYSA-N	320.820	3.797	50	20	DHGD	
O=C(CCl)NCC1(c2cccc(C(F)(F)F)c2)CCCC1	1320466937	WLLZVILQVGGUSY-UHFFFAOYSA-N	319.754	3.872	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2Cc3ccc(F)cc32)cc1Cl	1325014229	FNPAUHXQOQRHGA-CQSZACIVSA-N	304.752	3.571	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(CC23CC4CC(CC(C4)C2)C3)o1	1325770159	NYZWSRWCAGSLIS-RVDMUPIBSA-N	313.401	3.729	50	20	DHGD	
CN(C)[C@@H](CNC(=O)c1cccc(CCl)c1)c1ccsc1	1335637418	KSJCMVRDUHNYPC-HNNXBMFYSA-N	322.861	3.520	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C1C[C@H]2CCC[C@H](C1)C2	1343814666	MAXJUCIMALPBSY-RYUDHWBXSA-N	324.371	3.948	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(F)ccc(C(=O)O)c1F	1776682897	IPGZIENTIRZNCX-VQHVLOKHSA-N	307.296	3.575	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	66326498	TVODUXCORYRZPL-UHFFFAOYSA-N	320.339	3.901	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2cc(F)ccc2F)c1	97106298	XIYANJGFCKUVPI-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)ccc1O	105570908	FWXHUUAKYHXZGU-JYRVWZFOSA-N	313.378	3.951	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ccc(C(C)(C)C)nn3)cc2c1	118525896	IYENMWPNPPVFJO-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(C(F)(F)F)ccc1F	120090156	LCOHKNYQAWFTMZ-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3)nc2)cc1	120878477	DELVKPHQPDUWBL-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CCN(C[C@@H](C)CBr)[C@@H](C)c1ccc(C#N)cc1	133657089	PFTAUUOWNKHVRW-STQMWFEESA-N	309.251	3.972	50	20	DHGD	
CC[C@H](NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	172618384	MAGLTFDFWOBQKA-HNNXBMFYSA-N	306.768	3.865	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(Oc2ccccc2)ccn1	174245033	TVOVBMJWUFOQKU-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	175217893	PXNODFXDAYZOSR-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2)cc1Br	176497931	YVPCATNVJQJMRN-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cn1c(/C(C#N)=C\C2=Cc3ccccc3OC2)nc2ccccc21	192539296	LVRQTMFFSIDLBS-WJDWOHSUSA-N	313.360	3.956	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)/C=C\c2ccc(C(C)(C)C)cc2)n1	254980420	VKOSOXZCTWLFHX-FLIBITNWSA-N	324.428	3.547	50	20	DHGD	
Cc1ncccc1/C=C(/C#N)c1nc(-c2ccncc2)cs1	255885146	RYVBPIATQTVUFS-DHDCSXOGSA-N	304.378	3.973	50	20	DHGD	
N#CC1=CCN(C(=O)CCc2ccc(Cl)c(Cl)c2)CC1	272642727	DTMVMYSQLUVPAB-UHFFFAOYSA-N	309.196	3.608	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@H](C)CC2CCCCC2)c1	293938417	NQKSTGSPIQWFSS-CYBMUJFWSA-N	317.433	3.695	50	20	DHGD	
COc1ccc(/C=C\C(=O)NNc2ccccc2Cl)cc1	492222720	QGKMINAHENUBMK-FLIBITNWSA-N	302.761	3.505	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(Cl)c(Cl)c1O	727651226	NUOPVORKZUXBLY-SSDOTTSWSA-N	303.189	3.585	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)c3cccc(C#N)c3)C2)cc1	729819858	SHYMFUGSLBAAQS-UHFFFAOYSA-N	303.365	3.530	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1	734977407	QQTBDBQSTLCVRM-CYBMUJFWSA-N	310.401	3.763	50	20	DHGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)CC1CCCC1)c1ccccc1	735116078	ZAAXGSBTRHTMJH-KSSFIOAISA-N	316.445	3.544	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNc1ccc(Cl)nn1	735688838	ZJPZQDFPTSEATR-ZDUSSCGKSA-N	324.856	3.816	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNC(=O)c1cccc2ccccc12	741573946	OLTRZUBNQSJBJK-AWEZNQCLSA-N	312.413	3.817	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)C[C@H](C)CC)cc1	742720131	QLURKWUCAKYRKE-AZYZYFAASA-N	314.429	3.933	50	20	DHGD	
Cc1ncsc1C=NNC(=O)c1c(Cl)cccc1Cl	743438836	RAMSNXQEOOWDOM-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1c(C)cc(C)cc1C	743762286	OVOODFQJIOENTM-KRWDZBQOSA-N	311.429	3.946	50	20	DHGD	
CCOc1ccccc1C=NNC(=O)c1cc2ccccc2o1	749817578	KHZPDLWREOZQDV-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
Cc1cc(F)ccc1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	750919086	FCAOXMYDDCUPCE-UHFFFAOYSA-N	314.404	3.801	50	20	DHGD	
O=C(NN=C1CC2(CCC2)Oc2ccccc21)c1ccccc1	753161739	KMEVFQOSKODEDE-UHFFFAOYSA-N	306.365	3.526	50	20	DHGD	
C[C@H](C(=O)NNc1cccnc1Cl)c1cccc(Cl)c1	754488002	MVEZBEGALNUMAE-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1ccc([N+](=O)[O-])cc1F	758336082	QKQCEMBLYNXWOH-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CC1(C)CCC(C=NNC(=O)COc2ccccc2F)CC1	764665813	MUMPQPZRNAKQIR-UHFFFAOYSA-N	306.381	3.523	50	20	DHGD	
CCC(CC)(CNC(=O)[C@H](Br)C(C)(C)C)SC	768199930	NPRSLNBIBUBBFJ-JTQLQIEISA-N	324.328	3.834	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2cscc2Cl)cc1C	771871919	SDMKWOPSBJZOFO-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CCNc1nc(C(=O)NNc2ccc(C(C)(C)C)cc2)cs1	780803881	QQGKFHCRGGEEBG-UHFFFAOYSA-N	318.446	3.629	50	20	DHGD	
O=C(NNc1ccnc(F)c1)Nc1ccc(Cl)cc1Cl	781161717	ZDAKFIKWUBEENG-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CC(C)CC(=O)NN=C[C@H](C)c1ccc(C(F)(F)F)cc1	788975269	NSTDHOGELXJSQS-NSHDSACASA-N	300.324	3.957	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(Br)cc1	789719584	DZDMOQBDQGDRJN-UHFFFAOYSA-N	321.265	3.582	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1c1ccccc1OC	791454931	LNKZQLJLVXPVCE-CQSZACIVSA-N	310.235	3.783	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1cc(C)oc1C	794779195	GXBMRXQHPNZNFA-UHFFFAOYSA-N	323.352	3.705	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1cccc(F)c1	794779390	JGVOXGFVXWFMET-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
COc1cc(NC(=O)NNc2ncccc2Cl)c(C)cc1C	797677073	MYMDOMFRUDWHOB-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@@H](C)C1	799760003	BAVLIXDMGUOMGW-BFHYXJOUSA-N	317.520	3.726	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NN(C)c1ccccc1	809984361	GREVRQYINGFISC-SEYXRHQNSA-N	300.789	3.911	50	20	DHGD	
N#CSCCCNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	816538910	LYEGBLYTSRBOLY-IAGOWNOFSA-N	310.422	3.664	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2ccccc2Cl)cc1	817921181	LVZDZMOTJLKTER-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1ncnc2ccsc12	827031812	GAZBQLFVMVDLTK-LLVKDONJSA-N	306.435	3.597	50	20	DHGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)c1csnn1	836095278	HCWZFGLVOZVTSH-NXEZZACHSA-N	318.489	3.856	50	20	DHGD	
CCCc1cnc(NC(=O)NNc2ccc(OCC)cc2)s1	836494695	REOHSUXXISYPAA-UHFFFAOYSA-N	320.418	3.643	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(CN3CCCCC3)c2)c1	839498950	VOZRKKJXWWSNQQ-UHFFFAOYSA-N	323.440	3.738	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)nn1C	840714405	VCFPUORZGXVIHI-PTNGSMBKSA-N	307.397	3.816	50	20	DHGD	
CC(C)(C)C#CC(=O)NNc1ccccc1Cc1ccccc1	846462161	SFNMFQAAQYWFSZ-UHFFFAOYSA-N	306.409	3.770	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(N(C)C)cc1	851950399	ONJLNHJFGZYBJZ-NILFDRSVSA-N	311.267	3.577	50	20	DHGD	
O=C(NN=C1CC(c2cccc(Cl)c2)C1)OCC(F)(F)F	853429330	ISGYRFCVEDGXDB-UHFFFAOYSA-N	320.698	3.862	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1nc(C)cs1	863068994	OVZQFRLXKYORNX-UHFFFAOYSA-N	317.458	3.508	50	20	DHGD	
CC(C)Oc1ccc(-c2cn(/C=C/CBr)nn2)cc1	881296113	YYJHLVJZABBVMG-YCRREMRBSA-N	322.206	3.598	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2cc3c(s2)CCC3)C1	901144755	XBOMSFXNMZBPRJ-LBPRGKRZSA-N	308.472	3.628	50	20	DHGD	
CC[C@@H](Cl)c1nc(O)c2ccc(Br)cc2n1	905023156	IVTXMNSSBWONAG-MRVPVSSYSA-N	301.571	3.788	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1	912581765	JUQQIGGCYUILGW-KGLIPLIRSA-N	309.526	3.799	50	20	DHGD	
C#CCOC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	916613973	NGWRDQCEDQZYHI-SFQUDFHCSA-N	310.397	3.694	50	20	DHGD	
CC1CCN(CCC(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)CC1	1115814373	SAEJHOSDFOSYFK-IAGOWNOFSA-N	319.493	3.571	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(C(=O)O)CCCCC1	1605322183	WFLQYTVDGMEERJ-UHFFFAOYSA-N	318.417	3.597	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(C(=O)O)s3)[nH]c12	1777448222	CHSPYSQYOBGPDC-YFHOEESVSA-N	309.350	3.695	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(COc2ccccc2)cc1	91166545	UMEUJGOSQLIXIU-PEZBUJJGSA-N	322.364	3.648	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1ccnc2ccccc12	106925097	MRNAVQXDLBLSND-UHFFFAOYSA-N	319.364	3.557	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1ccccn1)c1ccccc1Cl	115686784	SHDKXDXLOIIYML-HNNXBMFYSA-N	318.808	3.758	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1cc(C)ccc1F	150835536	RHOIMYAIUNRNJE-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(F)c3)on2)cc1	154800609	JIMGVVUUDHOVRG-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2cc(C)cc(C)c2)cc1	158682976	GVSLERCMMPAHPQ-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)CC1(C)CCCCC1	160176055	XLPVIHCGIUXGIA-UHFFFAOYSA-N	303.406	3.508	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cnc3ccccc3n2)cc1	163506899	NRRVSISBYBROTD-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cnn(CCCl)c2)c1	171541018	VPGNOWBYHMVGIL-LZYBPNLTSA-N	313.788	3.529	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H]2CC=CCC2)c1C	172489333	HXTKOUXPLJKBPA-WQJNHMDYSA-N	311.429	3.647	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(c2ccccc2)CCC1	175391694	PQFKRUQCODGBNU-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCc2nc3ccccc3[nH]2)c1	192863349	VPPAMCYWSQDRBC-UHFFFAOYSA-N	322.412	3.646	50	20	DHGD	
CSCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	194550468	DDLYRJRHHMYOLA-GDNBJRDFSA-N	324.405	3.801	50	20	DHGD	
CC(C)(CNC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCCC1	194802816	VWBJIYFMYUAFNX-PTNGSMBKSA-N	312.413	3.632	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H]1CCCc2sccc21	194867756	ZBDGCMISDFHJSG-QSOAKEGCSA-N	324.405	3.554	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CC(=O)c3ccccc32)cc1	276878189	MHBJPVWMTQGDPZ-QGZVFWFLSA-N	322.408	3.797	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1nccnc1C1CCC1)c1ccccc1	286906447	HHPOBYSJANYJFG-INIZCTEOSA-N	324.428	3.627	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cccc(C#N)c1)c1ccccc1	490701665	XOHXZGIXYMJCCB-OVCORXIESA-N	315.376	3.733	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cccc2[nH]ccc12	490838340	AJYATGYPJNZQRA-RAXLEYEMSA-N	305.312	3.853	50	20	DHGD	
CCCCOc1cccc(CNC(=O)NNc2ccccc2)c1	734265997	RLDBGUPYHLXOJM-UHFFFAOYSA-N	313.401	3.692	50	20	DHGD	
C[C@H](CN1CCCCCC1)C(=O)NN=CC1CCCCCC1	741838887	XGOQAFZQUMRLAA-MRXNPFEDSA-N	307.482	3.571	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCSc2ccccc21	743336019	BVERQGRQKPNWPP-LBPRGKRZSA-N	320.364	3.688	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(Cl)nc1)[C@H](C)c1ccccc1	747592816	QKPRIYVFWQWOJZ-NWDGAFQWSA-N	318.808	3.553	50	20	DHGD	
CCCN(CCC)CCCC(=O)NNc1ccccc1Cl	748331238	CSBAEMNKHWHEGG-UHFFFAOYSA-N	311.857	3.685	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2ccc(F)cc2C)c1	748550037	XAUFYCRUNDZNRJ-UHFFFAOYSA-N	318.417	3.986	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(Br)cc2C)o1	748754093	GRBWPKGZGLOMJC-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
C[C@@H](Cc1ccncc1)NC(=O)CCCC[C@H]1CCSS1	749488875	LUDNNMRIFKTZME-ZFWWWQNUSA-N	324.515	3.843	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C[C@@H]2CCc3ccccc32)cc1	755746084	SWAZKBKZLWTZOJ-HNNXBMFYSA-N	322.412	3.590	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)c(Cl)c1	756877267	XUORLZDSAWVYIE-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccccc2)cc1OC(C)C	760961121	UDGKGPKNBRRSIA-UHFFFAOYSA-N	315.373	3.631	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)cc(Cl)c2)c1	763275784	BIYZFECEDFKSHI-NYYWCZLTSA-N	320.179	3.878	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)cc21	764321097	ZEHAEJWOAWWCCT-OMCISZLKSA-N	309.300	3.661	50	20	DHGD	
C[C@H](Oc1cccc2ccccc12)C(=O)NNc1ccccc1	768088717	SUAGGEQNFNDCKI-AWEZNQCLSA-N	306.365	3.750	50	20	DHGD	
CCNC(=O)N(C)N=CCCCc1ccc(Cl)c(Cl)c1	768783348	CMCZHPRIQIPBNG-UHFFFAOYSA-N	316.232	3.963	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccn(C)n3)n2)cc1	773148911	FMDPHBQJEQARPT-ZROIWOOFSA-N	306.394	3.916	50	20	DHGD	
N#CSCCCNC(=O)c1ccccc1Oc1ccccc1	773584244	CQRTXMZFBDKTEU-UHFFFAOYSA-N	312.394	3.813	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cnc(C2CC2)s1	777477533	HXOLLZKQVSZHJZ-UHFFFAOYSA-N	324.409	3.634	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3cc[nH]c3n2)cc1	781040767	BZZFJQRCMQXOCR-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc2cnccc2c1)c1ccccc1	782228591	IAZRPJXWAQADGC-LJQANCHMSA-N	317.392	3.879	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@@H]2CCCC[C@H]2C)o1	783837871	QSLHEFLFTNUDBM-CABCVRRESA-N	319.449	3.663	50	20	DHGD	
CCC(O)(CC)CCNC(=O)CCCC[C@H]1CCSS1	788115553	HHUVUEDQDJQMLD-ZDUSSCGKSA-N	319.536	3.758	50	20	DHGD	
CSSCCNC(=O)c1cc(Oc2ccccc2)ccn1	791113275	AXFLGRUFMROTEM-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
N#C/C(=C/c1ccnn1-c1ccc(F)cc1)C(=O)c1ccsc1	794874783	JMQKYOCRRPISEM-LCYFTJDESA-N	323.352	3.863	50	20	DHGD	
C=C(CBr)COC(=O)[C@H]1CCCc2ccccc21	795419821	ASHAOFMWSMFPRE-AWEZNQCLSA-N	309.203	3.601	50	20	DHGD	
C=CC[C@H](C(=O)NNC(=O)Nc1ccccc1C)c1ccccc1	798313710	SFBKIZUUZLVOQS-INIZCTEOSA-N	323.396	3.508	50	20	DHGD	
CC1(C)CCCc2sc(NC(=O)NNc3ccccc3)nc21	810314519	ZLYWHYBJYMQBCJ-UHFFFAOYSA-N	316.430	3.906	50	20	DHGD	
COc1ncccc1NCc1ccc(OCCCCl)cc1	811484604	DPELGZZAZIFIJT-UHFFFAOYSA-N	306.793	3.710	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc2c(c1)COC2	812765505	KCFLXFRWZSQIEU-UHFFFAOYSA-N	324.424	3.834	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3c(C)c(C)ccc3[nH]2)cc1	817908389	GDKUSXIUJHGCTQ-UHFFFAOYSA-N	323.396	3.940	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCC[C@H]1c1ccccc1	832804877	XXDPEVQCQJMRQI-KBPBESRZSA-N	315.804	3.762	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@H]1CCCC[C@@H]1C	834959916	XRABECIIEBGLIB-GWCFXTLKSA-N	308.809	3.978	50	20	DHGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)C2CCCC2)cc1F	844271367	QDKWKOSOIHORNE-NTUHNPAUSA-N	303.333	3.509	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(C(F)(F)F)c(F)c1	848084401	OTTMJPKNUMHBML-UHFFFAOYSA-N	318.097	3.720	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C(C1CC1)C1CC1	856234339	VHKKPTHERKTZHR-UHFFFAOYSA-N	321.833	3.829	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NNc1nc(C(F)(F)F)cs1	857148400	CAQLUBPKDRISER-JTQLQIEISA-N	313.320	3.523	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cccc(OC(C)(C)C)c1	865223420	HSHTZQVQRBYOIY-VBKFSLOCSA-N	321.442	3.943	50	20	DHGD	
Cc1ccc(-c2ccccc2NC(=O)NNC(=O)C(C)C)s1	880279875	QTFGISPTBDNKIE-UHFFFAOYSA-N	317.414	3.532	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cccc(Cl)c1	915928791	YDAGBIGGKMMXQW-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)c(F)c1	916315654	YNLOMMPQIKUWIR-UHFFFAOYSA-N	320.364	3.669	50	20	DHGD	
C/C(C=NNC(=O)Cc1c[nH]c2ccccc12)=C\c1ccccc1	916338004	JWTXGAKIMVJHRA-UFLLWFGPSA-N	317.392	3.916	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1	916340795	NNRYDLWMOYKNTQ-CQSZACIVSA-N	305.381	3.616	50	20	DHGD	
Cc1cc(NNC(=O)c2csc(C3CC3)n2)ccc1Cl	928340969	JKYLBEYXHXFWGT-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)ccc1F	1320835366	MUMJOLAWYSNFTF-QCDXTXTGSA-N	317.266	3.902	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCN(c3ccccc3)C2)c(C)c1	1330575338	LPDZMSLJYZLPLZ-KRWDZBQOSA-N	323.440	3.581	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C\C(=O)O)o1)c1nc(C2CC2)cs1	1777566126	QAFQTTXHWPABGR-GNLLZQBYSA-N	312.350	3.775	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(N(C)CCC#N)cc1	101907129	MZSXFXYJDMLOGK-LGMDPLHJSA-N	309.413	3.949	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@H](CC)c1ccccc1)c1ccccc1	110343408	AFOFKAFABUDREI-QZTJIDSGSA-N	324.424	3.521	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1c(F)cccc1F	118513588	IHWSYCRZRWTYCE-NSHDSACASA-N	322.380	3.730	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2ccc(Cl)cc2)cc1	120351451	PTJQNXIMGZCXKZ-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cccc(C(F)(F)F)c2)no1	124255973	MJAVBMMKXZYZMG-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1OC	125437038	UYCDFYRUFAOZTN-QPEQYQDCSA-N	300.383	3.841	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccncc1Cl)c1ccc(F)cc1	131398496	XFXKOOQDCOWILC-GFCCVEGCSA-N	307.756	3.511	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2ccccc2Cl)cc1Cl	132701806	ZGMGZAYBRPTNIH-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCC[C@H]1C(F)(F)F	156540721	XEHKMEFTVKZEOP-RKDXNWHRSA-N	322.277	3.777	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(F)c2)cc1	158699635	RESJOMKUKMVPHJ-NTEUORMPSA-N	310.328	3.639	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccc(F)cc1F	173144264	XHVMQCMIQHDRKF-LLVKDONJSA-N	322.330	3.816	50	20	DHGD	
CCOC[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	175545843	GIMYKEQJEABIBY-KGLIPLIRSA-N	317.520	3.586	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(O)(c2ccccc2)CC1	185499668	TUMHZOFJBPKKMV-VXLYETTFSA-N	322.383	3.674	50	20	DHGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)c1ccc(F)cc1	206402744	MUQGCSUNHHRHSW-MHWRWJLKSA-N	305.308	3.934	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@H](c2ccccc2F)C1	255625778	PEXCWFPMHLAYPF-UDKWZTAFSA-N	308.356	3.764	50	20	DHGD	
CC[C@H]1C[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCO1	276923045	WSLCNYUBOFHWLM-RNCFNFMXSA-N	317.216	3.642	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1	281279907	XLGSGNNCCVBATA-WLSWZUKCSA-N	313.397	3.768	50	20	DHGD	
CSSCCNC(=O)c1ccc(-c2csc(C)n2)cc1	284012241	IXBVTBQPTSQUKB-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C1(C(F)(F)F)CCC1	295037601	NPRHGKYQKBJDIR-UHFFFAOYSA-N	323.318	3.719	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])s1	490877938	MZCINHHIXJBRLJ-FLIBITNWSA-N	313.338	3.510	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](c2cccnc2)C1	616614389	MGEUEQDHMKBPHG-MRXNPFEDSA-N	306.526	3.893	50	20	DHGD	
CN(CCc1cccs1)C[C@H](CBr)C1CC1	701847463	DBFMIMCEAXXTNH-LBPRGKRZSA-N	302.281	3.644	50	20	DHGD	
C[C@H](C=NNC(=O)Cn1ccc2ccccc21)c1ccccc1	729638161	CUZOHUYMVHICHZ-OAHLLOKOSA-N	305.381	3.547	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1OC)c1ccc(Cl)cc1	731488192	YLLPJKDQJDPOIC-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CCC(CC)[C@H](O)CNC(=O)CCCC[C@@H]1CCSS1	732301311	VGCIBEGWGKHJSZ-ZIAGYGMSSA-N	319.536	3.614	50	20	DHGD	
CC(C)[C@H](C)C(=O)NNc1ccc(Br)cc1Cl	733806359	ZOPPLKPWKWNYEP-QMMMGPOBSA-N	319.630	3.838	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)CC1CCCC1	734548106	YPGVGCSEOAHLSD-KRWDZBQOSA-N	322.493	3.957	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3c(F)cccc3F)oc12	735697984	DPKUWHPMTBGSQJ-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
Cc1n[nH]cc1C(=O)NN=C(CC(C)C)c1ccc(Cl)cc1	740762768	GZYCDAFEDNMTIK-UHFFFAOYSA-N	318.808	3.552	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CCC[C@H]1c1ccc(Cl)cc1	741462634	SIHIJECPJXIOQW-AWEZNQCLSA-N	315.804	3.732	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)COc2cccc(C)c2)s1	744713675	MNVHUKAGEUZUSU-UHFFFAOYSA-N	316.426	3.538	50	20	DHGD	
CC(=NNC(=O)c1cn(C)c2ccccc12)c1ccccc1C	744782512	UCWBNEARCXIGJI-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2occc2s1	746705008	TUFKQRFAGLHVHZ-UHFFFAOYSA-N	312.272	3.669	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cccc2cccnc12	747362041	KELJVVDYDVTDPN-AIANPOQGSA-N	319.408	3.777	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1)c1cccc2cccnc12	747362344	YHTZJQNLIGPWHF-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1ccccc1Br	748071052	ZCIAMIFIJNNHBR-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)CCCC(F)(F)F	756032943	DPWIMZHHOPLNMM-SNVBAGLBSA-N	321.318	3.881	50	20	DHGD	
C[C@H](Cc1ccsc1)NC(=O)[C@@H](Br)C(C)(C)C	767318779	FSEONKXAXFBDQD-MWLCHTKSSA-N	318.280	3.605	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1F	771523040	NGHMFQRLZLTELO-FMIVXFBMSA-N	314.291	3.519	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	773460011	USQUAWFLQMJMOI-LBPRGKRZSA-N	316.323	3.855	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(OC)c1	774562181	SAGUXFGKRRFKOF-OQLLNIDSSA-N	324.336	3.985	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1nc2c(s1)CCCC2	776266226	PXMVVQURWCPIEZ-ACCUITESSA-N	317.458	3.625	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1nc2ccc(OC)cc2cc1C	778479045	QBBWYQCGFACDEW-FMIVXFBMSA-N	313.401	3.741	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc2cnccc2c1	780005654	VYPYWVFBMHETLR-LDADJPATSA-N	307.397	3.838	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)[C@H]1C	781116761	IJCZDUAOZYNNFM-STQMWFEESA-N	310.401	3.619	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)ccc2F)c1	786056119	MCXKWJYSJBTNCW-LICLKQGHSA-N	308.356	3.666	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NNc1cccc([N+](=O)[O-])c1C	787464230	JSLNMFPZHARBGR-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
COc1ccc2nc(/C=C(/C#N)C(=O)CC(C)C)sc2c1	788691483	XIYPLCXQHPVJPH-XFFZJAGNSA-N	300.383	3.827	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC(C)C)c1ccc(CC)cc1	794135729	VMMRZJKIGGOCGR-DTQAZKPQSA-N	300.402	3.682	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H](C)c2ccc(C(F)(F)F)cc2)c1	799101965	VTZYXTRTLOOHPJ-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
CC(/C=C(/C#N)C(=O)NC1CC1)=C\c1ccccc1C(F)(F)F	799889338	MRNDWPCPXBURLQ-YGOOLXEZSA-N	320.314	3.837	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccsc1	801439604	AHXVESALURAXDG-ZEVOCZHWSA-N	300.358	3.672	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ncccc1F)c1cccc(Cl)c1	804216113	POYCSASJTQKMRX-AWEZNQCLSA-N	321.783	3.757	50	20	DHGD	
COCC[C@@H](NCCO[Si](C)(C)C(C)(C)C)c1ccco1	808746888	YXNULKPURUVANQ-CQSZACIVSA-N	313.514	3.969	50	20	DHGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)NNc1c(C)cccc1C(C)C	813128036	ZSOUCSCSPGXOHS-GDBMZVCRSA-N	319.449	3.560	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1CC(c2ccccc2)C1	814839639	VVLSGMIJUHANIS-UHFFFAOYSA-N	317.392	3.691	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CC[C@@H](C)C3)n[nH]2)c1	814876156	KVXMGLRSMAYYHB-LLVKDONJSA-N	310.401	3.599	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc([C@@H]3C[C@@H]3C)o2)cc1	814999027	IFWQBEPTBJHWFZ-XHDPSFHLSA-N	313.357	3.567	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CC12CCSCC2	827181120	WIBWZOUZHFBEQZ-OAHLLOKOSA-N	316.470	3.542	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2cc(C(F)(F)F)ccn2)c1	832963283	VENWOKLVCZTCHD-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C3CC3)nc2C)c(Cl)c1	836934737	GBFWTTRPHZENHT-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
C=C(CBr)COC(=O)[C@@]1(C)C[C@@H]1c1ccccc1	840603071	NMWCJVROXDJVSW-HIFRSBDPSA-N	309.203	3.675	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)C)ccc1OC(=O)CC	840717602	HJEASULHOXZHMA-NTEUORMPSA-N	315.369	3.533	50	20	DHGD	
COc1cc(OC)c(/C=C(/C#N)C(=O)C2CCCCC2)cc1F	844275653	YZKGEQUAEMVROO-ZSOIEALJSA-N	317.360	3.899	50	20	DHGD	
Cc1nnc([C@@H](C)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	852522641	MVLCOOIBVIMQNU-YPMHNXCESA-N	311.502	3.535	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cncn1C(C)C)c1ccccc1	901496655	XADOCGZSKRNWMW-GANRHZMWSA-N	322.412	3.638	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CC(C)C)c(C)n1CC(C)C	914527803	OSNZCHVOYRITAP-GIJQJNRQSA-N	315.461	3.782	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C/C=C\c2ccccc2)c(C)c1	916358336	NVODRIOLAWMLFZ-FOUGDTDFSA-N	307.397	3.531	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cccc(F)c1F	935022524	DDMDOONYJMKLBU-UHFFFAOYSA-N	308.328	3.921	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)c2ccc(F)cc2F)c1	1116267514	YXTPFHPKRSMHMI-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccnc2N(C)C)c1C	1117351228	QBFBBSDKRAFFGL-WJDWOHSUSA-N	305.381	3.554	50	20	DHGD	
O=C1CCCc2cc(NC(=O)C3CCC(Cl)CC3)ccc2N1	1123553272	GDMRWUSPECIZJF-UHFFFAOYSA-N	320.820	3.698	50	20	DHGD	
O=C(CCl)Nc1nc2c(s1)C[C@H](c1ccccc1)CC2	1323270661	WPUOQQFVEGSMBH-LLVKDONJSA-N	306.818	3.593	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C(C)(C)C)cc2)ccc2cncn12	1325092305	WENSSVUEVLXRJX-UHFFFAOYSA-N	322.412	3.697	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cccc([N+](=O)[O-])c1	1340940725	UFJXBXYFFVJNTN-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@H](C)c2cc(C)oc2C)cc1	1348046432	LMRWQSDSEKAMMP-GFCCVEGCSA-N	317.389	3.682	50	20	DHGD	
CCc1ccsc1C(=O)NNc1ccc(-c2ccccc2)nn1	85654608	IHQCEBNVINYKGM-UHFFFAOYSA-N	324.409	3.524	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(F)ccc1F	153720560	JAKMYRZUFRIUNJ-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc2ncsc2c1	155396338	FQDJPNWFAAFPPI-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
COc1cc(Cl)c(Cl)cc1C(=O)NNc1ccccc1	175052025	FFBYKEDCMWMQGE-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
N#Cc1ccccc1/C=C/C(=O)NNc1cccc2c1CCCC2	179024952	LJNPWZMJAJXGJY-OUKQBFOZSA-N	317.392	3.594	50	20	DHGD	
COc1ccc(C[C@@H](C)C(=O)NNc2cc(C)ccc2C)cc1	179488043	OLDBOABHJFTMOZ-OAHLLOKOSA-N	312.413	3.634	50	20	DHGD	
Cc1cc2occ(CC(=O)NNc3ccccn3)c2cc1C(C)C	181161722	QRXHFGMBUXMATG-UHFFFAOYSA-N	323.396	3.945	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(F)cc(F)c1	181273445	WKCJRAPOATXYJE-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCc2cc(F)ccc21	182358641	WPZGIEGSGPYFMR-MXHVWWQHSA-N	324.330	3.675	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2nc(Cl)cs2)c(C)c1	490783524	QVESZDHBENEREC-WDZFZDKYSA-N	317.801	3.959	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccn(-c3ccccc3)n2)cc1	588467762	UPKOKSXRJIIDMQ-LGMDPLHJSA-N	313.360	3.971	50	20	DHGD	
CC[C@H](C)N(C)CCNC(=O)CCCC[C@H]1CCSS1	727175742	XSWRWDCLWIEUTO-KBPBESRZSA-N	318.552	3.547	50	20	DHGD	
COC(=O)NN=C1CCCc2nc(-c3ccc(C)cc3)sc21	727649625	BKGMDOLCHPEMTE-UHFFFAOYSA-N	315.398	3.515	50	20	DHGD	
CCn1c(C)cc(C=NNC(=O)CCCc2ccccc2)c1C	728226189	KHMFGTKETJZLIJ-UHFFFAOYSA-N	311.429	3.598	50	20	DHGD	
CCC1CCC(=NNC(=O)c2cccc(OC(F)F)c2)CC1	728433419	HKVWHOLVJDVHJZ-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)CCc2ccccc2O)cc1	729935162	LBFLMSKEECNQCS-UHFFFAOYSA-N	310.397	3.599	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1ccccc1Cl	729938261	SAMKCRPAFNAREM-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)C(C)(C)c1ccc(F)cc1	734977419	RCDYBTAOPMEJGI-UHFFFAOYSA-N	314.360	3.615	50	20	DHGD	
CCC(C)(C)CCOC(=O)/C(C#N)=C\c1cccc(OC)c1	744340443	QOYMRWORHQEPGZ-PTNGSMBKSA-N	301.386	3.972	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1ccc(F)cc1Br	748075285	NAAFURMTMCJEQI-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CN(NC(=O)c1ccnc(Oc2ccccc2)c1)c1ccccc1	749261389	MYQMJAILJOCHLH-UHFFFAOYSA-N	319.364	3.655	50	20	DHGD	
Cc1cccc2c1CCN(/C(=C\C#N)c1cccc([N+](=O)[O-])c1)C2	750042961	OMIZQAACUMBYQG-UWVJOHFNSA-N	319.364	3.826	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2ccc(C)o2)c2ccccc12	752173398	INVIIHZNFMOCTO-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
C[C@@H](C=NNC(=O)CC12CC3CC(CC(C3)C1)C2)CCC#N	765995139	PRGKPFWPAVJUMV-ZZFFKQLHSA-N	301.434	3.635	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	769567678	TUVNMWIERUHSKL-RYUDHWBXSA-N	303.362	3.527	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc2ccccc2c1	770075514	GYPDBMPEMDATNN-UHFFFAOYSA-N	321.384	3.902	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)ccc1C	772171650	LCFDQQZTJFOMFC-ZDLGFXPLSA-N	320.392	3.535	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1ncnc2ccsc12	775780703	ONPPXFABXKMXRO-NSHDSACASA-N	306.435	3.741	50	20	DHGD	
C[C@H](CCc1ccccc1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	784980449	JXRWISPKCHJUPR-QLENYVDCSA-N	322.383	3.870	50	20	DHGD	
CCN(CCCN(C)C)C(=O)CCCC[C@H]1CCSS1	787531822	JTZBRSHKLQTTAO-AWEZNQCLSA-N	318.552	3.501	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@H](c1ccccc1)C(C)C	788187910	BMJPYAZHTACAAH-KRWDZBQOSA-N	316.376	3.717	50	20	DHGD	
COc1cc(NNC(=O)Nc2c(C)cccc2F)ccc1Cl	788657115	GXWKLWJGSXGRJD-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC12CCCC2	788708637	BGXKAFYBYPPZEG-UHFFFAOYSA-N	306.793	3.789	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1	790846218	JWPTZDUSMSPGAB-NWDGAFQWSA-N	316.879	3.506	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCC(C(F)F)CC2)c1	799468621	LRIHDQQDUAUCAF-UHFFFAOYSA-N	324.371	3.610	50	20	DHGD	
CC[C@H]1c2ccsc2CCN1C(=O)NCCSSC	807227693	CMFICPDHRQGIDO-NSHDSACASA-N	316.517	3.778	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2ccc(F)cc2)CCCC1	808131819	WIHUFKAREVEQHH-UHFFFAOYSA-N	304.192	3.557	50	20	DHGD	
CCCn1c(C(=O)N(C)CC(Cl)Cl)cc2ccccc21	816628277	OFOZLUZHSCZENI-UHFFFAOYSA-N	313.228	3.927	50	20	DHGD	
CO[C@H]1CCC[C@H](C(=O)NNc2c(C)cccc2C(C)C)C1	816782478	YOIPBIVGRDWYMY-GJZGRUSLSA-N	304.434	3.767	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](CC)OC2CCCCC2)cc1	817882393	LKSYZWCBSUUHNP-KRWDZBQOSA-N	320.433	3.656	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC(C)C)[C@H](C)c1ccccc1C	819744960	KHUZJEKBMUVUPY-VAFHRPCXSA-N	314.429	3.985	50	20	DHGD	
CCCCCc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	822218454	LPOIDIOUKKKNMN-BOPFTXTBSA-N	322.412	3.698	50	20	DHGD	
COCC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCCC1	837525705	VKKZKRTVRODBFN-UHFFFAOYSA-N	304.434	3.634	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)C12CC3CC(CC(C3)C1)C2	842523618	REKLAYBIFZQOLR-UHFFFAOYSA-N	310.388	3.884	50	20	DHGD	
C[C@@]1(CNc2nc(C(F)(F)F)cs2)C[C@H]1Br	856787476	NWZBNRUSCNZZTP-XRGYYRRGSA-N	315.158	3.747	50	20	DHGD	
CC1(C(=O)NC[C@]2(C)C[C@@H]2Br)CCCCCC1	857396012	WYUNXJYSAASZJC-FZMZJTMJSA-N	302.256	3.637	50	20	DHGD	
Oc1ccc([C@H]2CCCN2C[C@H](CBr)C2CC2)cc1	859174020	OBITWFWFWCARNM-GOEBONIOSA-N	324.262	3.950	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccc(N)cc2)oc2ccccc12	916264463	UKKCXTDECJSXRV-UHFFFAOYSA-N	321.380	3.731	50	20	DHGD	
O=C(COc1ccccc1F)NN=C1CC[C@H]2CCCC[C@H]2C1	916300415	FCPNMJDMJINDBE-KGLIPLIRSA-N	318.392	3.667	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)OC2CCCCC2)c(C)c1	1116150767	QENUDQGEYDKLST-HNNXBMFYSA-N	304.434	3.793	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Cn3cccc3)cc2)c1	1116346250	PWVCHUCEWYFMMH-UHFFFAOYSA-N	319.408	3.910	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1ccccc1C(F)(F)F	1256661604	LWXAABDYDLZYCI-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
COc1ccc2c(c1)CN(C(=O)CCl)[C@H](C1CCCCC1)C2	1320465402	IEHBHWJADMATJC-KRWDZBQOSA-N	321.848	3.768	50	20	DHGD	
CC(C)CCC(=NNC(=O)c1cncn1-c1ccccc1)C1CC1	1321285346	CNHRUHZJEXRFEF-UHFFFAOYSA-N	324.428	3.804	50	20	DHGD	
COc1cccc(F)c1C(=O)NNc1ccc(C)c(Cl)c1	1340364833	YQNHIJJGTJRNDF-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCC(=O)/C(C#N)=C\c1ccc(-c2ccccc2C(=O)O)cc1	1776675979	PENFZRVAKHXXLX-PTNGSMBKSA-N	305.333	3.938	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccn1Cc1ccccc1	119013486	GOJUIRDXEMDHQL-UHFFFAOYSA-N	323.371	3.741	50	20	DHGD	
CCC(CC)C(=O)NNc1ccc(OCC(F)(F)F)cc1	124867403	DYBWREMFVMQBLG-UHFFFAOYSA-N	304.312	3.507	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2OC)cc1	125278550	PGMULVGGFICDIZ-LGMDPLHJSA-N	319.360	3.998	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc2c(c1)Cc1ccccc1-2	158572276	AZAYIYXDQWHOBB-QINSGFPZSA-N	304.349	3.640	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(O)c(F)c2)cc1	175317062	NVFCOFZNAZEOQX-SDQBBNPISA-N	314.291	3.525	50	20	DHGD	
O=C(NNc1ccccn1)c1cncc(-c2ccc(Cl)cc2)c1	181170046	ZHRHQAXTKXFNBC-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2cccc3c2CCCC3)CCO1	184261690	JOEZHUFPAHGCPH-HOTGVXAUSA-N	316.445	3.604	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)c1ccco1	212648499	CHHRZHAQNAQGGO-POHAHGRESA-N	302.673	3.631	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccccc2)cc1Cl	216057441	XRBHGOQHDCHEFR-LCYFTJDESA-N	312.756	3.894	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(\C#N)S(C)(=O)=O)s2)cc1	255630086	OKGQQPPKOXVCEA-NTEUORMPSA-N	303.408	3.633	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccccc2C)c2ccccc12	257354454	XVRJXWYDWNGKSL-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
N#C/C=C/CSc1nc2ccccc2c(=O)n1C1CCCC1	268670411	ZSRSQMMNHTYRLZ-AATRIKPKSA-N	311.410	3.683	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](c2ccccc2)C2CC2)cc1	294521540	ZDZDUOGDDWUZFV-SFHVURJKSA-N	310.397	3.722	50	20	DHGD	
CCC(C)(C)c1ccc(NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	491102076	GTGVXYAWFPLMAN-XNTDXEJSSA-N	322.412	3.653	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)c2cccn2C)c1	729635264	KXIMBQMYVNCVAO-UHFFFAOYSA-N	317.392	3.764	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cccc(Cl)c1	734096400	NEOJRQMGVDRNGO-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
Cc1ccc(F)c(C=NNC(=O)c2cc(-c3ccccc3)on2)c1	734978882	WQEABGXXNATFJW-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)Nc2ccc(N(C)C)cc2)c1	741765092	NXFCCQSPKKERCY-UHFFFAOYSA-N	310.401	3.525	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C2CCCCCC2)c(Cl)c1	743825706	ZDLLECIYGNZHHC-UHFFFAOYSA-N	323.824	3.772	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)Oc2ccccc2Cl)c1	748407853	LXBZPNIOBQQDIU-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccccc1C1CC1)c1ccccc1	751132476	FHLKMRRDIMXEMN-UHFFFAOYSA-N	306.409	3.992	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)c1	755503604	BHTVFMJAWQCGCC-ROUUACIJSA-N	322.408	3.588	50	20	DHGD	
COc1ccc2cc(/C=C\C(=O)N3CC=C(C#N)CC3)ccc2c1	760003768	PDYYFQDQGAVNEY-CLTKARDFSA-N	318.376	3.544	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	769557013	OEMVSMWGGADBKR-VHSXEESVSA-N	311.769	3.518	50	20	DHGD	
CSCc1cccc(NC(=O)NNc2cccc(C#N)c2)c1	770030925	PVXLXMVMROXMQX-UHFFFAOYSA-N	312.398	3.570	50	20	DHGD	
C#CCOc1ccccc1NC(=O)NNc1ccccc1Cl	776087236	JGNPSWPRRHGJQM-UHFFFAOYSA-N	315.760	3.501	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)c1ccccc1F	777872474	VHJTYBCCCKYRFJ-YRNVUSSQSA-N	314.247	3.663	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)c2ccccc21	785291713	PXKVKKLJYZIVBT-QQFZQELXSA-N	306.340	3.883	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)s1	787146654	AMTUKIOTOCKFQN-OJLMPMFISA-N	312.394	3.547	50	20	DHGD	
CSSCCNC(=O)C(C)(C)c1ccc(Cl)cc1	791153553	WXQKGYFQDZTGGS-UHFFFAOYSA-N	303.880	3.745	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	792807809	UMCCJIIIQDFUCZ-ZSWVUIPGSA-N	320.477	3.567	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC1CC1	797398448	NRMFKHFVGZBUCR-ZSOIEALJSA-N	317.772	3.765	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(Br)c1F)c1ccncn1	799892867	SRBIRHKPUNVKKX-VMPITWQZSA-N	322.112	3.581	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)N(C)CC(Cl)Cl	808248027	AJSAYSKQRZJRHK-SNVBAGLBSA-N	306.208	3.657	50	20	DHGD	
CC[C@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@H](C)O1	811458945	SFSAQJQOFPOYMG-HOCLYGCPSA-N	311.853	3.694	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1cccc(C#N)c1	812765275	CDYIEFXBPYOKCF-UHFFFAOYSA-N	307.397	3.676	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1cscn1	812768437	SNZQTZKKHPYHQS-UHFFFAOYSA-N	303.431	3.651	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CC1)c1cc2c(s1)CCCCC2	814767357	IGEPPYWSRMRBRV-CYBMUJFWSA-N	302.443	3.923	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1CC(c2ccc(F)cc2)C1	815851685	QANVBICZMYKOIK-UHFFFAOYSA-N	302.324	3.602	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	819747940	ONPRSGURWBHZHV-QMMMGPOBSA-N	300.189	3.578	50	20	DHGD	
CO[C@@H](C)CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345523	SVDDFTGOMUBLLD-AWEZNQCLSA-N	301.547	3.755	50	20	DHGD	
Cc1cc(N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)ncn1	853896664	HINXCPCFMHALRH-CQSZACIVSA-N	307.514	3.776	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2OC2CCC2)cc1F	856229370	HVSINXLHDYURPU-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
Cc1ccc(O)cc1NC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2	862963751	XCPIFPMJTQLWFF-PSOPSSQASA-N	324.218	3.593	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCc1ccccc1F	899893718	WNLDVNACCHBNRF-UHFFFAOYSA-N	317.316	3.889	50	20	DHGD	
C[C@@H]1C[C@@H]1CNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	916640510	KZWHULHMULILCT-RNFRBKRXSA-N	322.623	3.929	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)CC(F)(F)F)o2)cc1	917550738	MWUUIDXGVDXITD-UHFFFAOYSA-N	310.275	3.658	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	921262196	PGPBABIOZSNKAG-UHZMKECTSA-N	318.804	3.647	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1ccc2ccccc2n1	1256728734	IAGCLJYKRAOBDA-UHFFFAOYSA-N	321.355	3.722	50	20	DHGD	
CC(C)CN(CC(C)(C)C)C(=O)/C(C#N)=C\c1ccc(O)cc1	1321358203	HBMNQAOBBRUCQH-YBEGLDIGSA-N	314.429	3.830	50	20	DHGD	
CC[C@@H](COC(=O)/C(C#N)=C\c1ccc(O)cc1)CC(F)F	1333212071	PBPZTGYIPIEVDL-NUBYWOLOSA-N	309.312	3.524	50	20	DHGD	
CCNC(=O)Nc1cccc(NC(=O)C2CCC(Cl)CC2)c1	1520895157	DATOREIKUOKOHI-UHFFFAOYSA-N	323.824	3.564	50	20	DHGD	
O=C(NCc1cnc2ccccc2c1)C1CCC(Cl)CC1	1548633331	QRLRBLWQCGXQGE-UHFFFAOYSA-N	302.805	3.649	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1605022546	SIIHARXREXVPPB-GFCCVEGCSA-N	322.380	3.574	50	20	DHGD	
N#C/C(=C\c1cc(Br)ccc1F)C(=O)c1ccco1	8200770	PEBVFZREZLWEPU-UXBLZVDNSA-N	320.117	3.971	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)c1ccco1	16882612	SQTATDCMNZSHQB-UXBLZVDNSA-N	318.126	3.538	50	20	DHGD	
Cc1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2)cn1	23745985	OCNKLWISWYJNOO-UHFFFAOYSA-N	315.376	3.572	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cccnc1	28510508	UUKPVHAGZRXKEL-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC(C)(C)c1ccccc1NC(=O)NNc1ccc(Cl)nn1	91985514	CITGAVYSYCSUIC-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	121638720	UNAGGKQSAUXZCQ-UHFFFAOYSA-N	324.352	3.767	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1	128914820	QLRTWRUDOXUGGF-LGMDPLHJSA-N	313.397	3.768	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(C(F)(F)F)cn2)c1	131795001	NKTVJIQSVJGQEP-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ncc(Cl)cc2Cl)c1	132819849	SLJKUWQBQCUYFN-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1ccc(OC(F)(F)F)cc1	134278990	STAGTIAMAAYUSU-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)NNc3ccccc3)c2)cc1	135856915	BVSPHABFWCPVQU-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1	159059862	LAXUSINEUHSYNI-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2ccc(Cl)c(F)c2)cc1C	180445849	CSPFVCQMNWKCGB-UHFFFAOYSA-N	322.767	3.861	50	20	DHGD	
Cc1c(C(=O)NNc2ccnc(F)c2)sc2cccc(F)c12	182508765	QWDIVBJANBUAAC-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)s1	254943001	XUZVCNMKCLMFRS-NTMALXAHSA-N	318.785	3.956	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H](C)c1c(C)noc1C	281886760	XUCLUOPJJHHZOF-GFCCVEGCSA-N	315.417	3.799	50	20	DHGD	
CCC(=NNC(=O)c1ccc[nH]1)c1ccc(Cl)c(Cl)c1	725854208	ITZVNFYKJNDTMW-UHFFFAOYSA-N	310.184	3.866	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2c(F)cccc2F)cc1	735697960	UFWYIOTXSBTJON-UHFFFAOYSA-N	320.339	3.757	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C2=NO[C@H](c3ccccc3)C2)c(C)c1	743764682	UGMXWMGRGLBHJP-KRWDZBQOSA-N	323.396	3.573	50	20	DHGD	
O=C(NN=C1CCc2ccccc2C1)c1ccc2ccccc2n1	745843433	HTXYPWHYEGLYAC-UHFFFAOYSA-N	315.376	3.510	50	20	DHGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	745887704	DEOCRSBWDYTBLJ-GHMZBOCLSA-N	315.364	3.739	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cnc4cccc(C)n34)[nH]c12	749005938	OSXDYHPCMUNZHM-NTEUORMPSA-N	313.364	3.892	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)C(=O)c2ccoc2C)cc1OC	751446182	JEBALWPOUQCVPS-RIYZIHGNSA-N	311.337	3.704	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNC(=O)c1cc2ccccc2o1	754337227	OAIIWBBOUNZVKW-GFCCVEGCSA-N	316.401	3.656	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)C2CCC2)c1C	756097515	LMPVVHMJMFBUTA-XWAFYUISSA-N	313.445	3.727	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(OC)cc1)C1CCC(C)CC1	764463219	SIKYZHZQBMPPMV-MQBCKMQZSA-N	304.434	3.991	50	20	DHGD	
C[C@H](NC=C(C#N)C#N)c1cccc(OCc2ccccc2)c1	765970388	LYBRETSKFINOQX-HNNXBMFYSA-N	303.365	3.847	50	20	DHGD	
Cc1ccc(C)n1C1CCN(C[C@H](C)CBr)CC1	770649088	JHGXUJSRHKRDFG-GFCCVEGCSA-N	313.283	3.773	50	20	DHGD	
C[C@@H](CBr)CN(CCc1cccc(F)c1)C1CC1	770651727	DBKKBSKXWUIEMG-LBPRGKRZSA-N	314.242	3.864	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cnc2ccccc2n1	774771162	VJTFNLAIOBSWJL-CYBMUJFWSA-N	312.417	3.679	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1cccc2cc[nH]c12	776069446	WQTFAARIZZIANI-UHFFFAOYSA-N	300.749	3.970	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(Cl)cc2F)cn1	780153302	MXVWTKJOXWMIFE-WDZFZDKYSA-N	316.719	3.673	50	20	DHGD	
C[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)c2ccccc21	781074991	LWWQMRYDCDZRJH-GWCFXTLKSA-N	310.235	3.946	50	20	DHGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	783772342	JPIKYGOCYXDSKC-CHWSQXEVSA-N	303.362	3.527	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(F)cc2)c2ccccc21	785291709	PXKVKKLJYZIVBT-NWFCWYBLSA-N	306.340	3.883	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc[nH]1	790440543	YEGRQZSPJOFFMC-QMMMGPOBSA-N	313.188	3.709	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)[C@H]1CCC(C)(C)C1	794268582	AOTWXJOQBKOGGE-QWRGUYRKSA-N	304.272	3.833	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)c2nc(C)cs2)c1	797406904	YEBFVILPNUBCRJ-AWNIVKPZSA-N	322.393	3.914	50	20	DHGD	
CC[C@H]1CCc2nc(NC(=O)NNc3ccccc3)sc2C1	799431786	CGSUXVXRRKONAW-NSHDSACASA-N	316.430	3.807	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)Oc1cccc(F)c1	799760896	SHDLABHZWDYMIU-ZDUSSCGKSA-N	316.376	3.607	50	20	DHGD	
Cn1cnc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	800793247	IMFDAOBFDMAHAC-ONNFQVAWSA-N	306.152	3.517	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	807946098	FDTIAXHVUPVBMT-HNNXBMFYSA-N	309.413	4.000	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)nc1Cl)c1ccc([N+](=O)[O-])cn1	812241267	BJZFGRGDNRJGOR-UITAMQMPSA-N	321.123	3.756	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Cl)n2)c(Cl)c1C	817011013	BTAUSSAIPSYNMQ-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCC(C)(C)C1CCC(CC(=O)NNC(=O)CC2CC2)CC1	819104362	JYSQLISNGYQBNY-UHFFFAOYSA-N	308.466	3.567	50	20	DHGD	
CC(C(=O)NNc1cc(Cl)nc(Cl)c1)=C1CCCC1	819746880	HERMVIMGXWEPKV-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ncnc(Cl)c1C(C)C)CC	840547959	YCEQVZHKODJTCA-VAZWZHNFSA-N	308.813	3.609	50	20	DHGD	
COC[C@H](C)Oc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	853004318	BRJCQQGGANOZSU-FMNVXAMXSA-N	313.397	3.767	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)cc1	857115425	IHSFUYYILJJYIZ-LPHOPBHVSA-N	324.424	3.797	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)c1ccn(C2CCCC2)n1	863080955	SWATXDWMYOIQNS-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)cc1	915917688	HVBSAIVIJNEREX-JKSUJKDBSA-N	313.445	3.869	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)cc1	915977123	UUKMIZXIJXINTQ-UHFFFAOYSA-N	302.377	3.841	50	20	DHGD	
COc1ccc(CCC(C)=NNC(=O)c2ccccc2F)cc1	916291293	YZBHHVZSXITDGP-UHFFFAOYSA-N	314.360	3.573	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	916336928	SYASMAXISKBFTD-MRXNPFEDSA-N	310.397	3.529	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=C/C=C/c1ccco1	920375623	XBCMEJSMJKIZMA-RKLHLXCKSA-N	304.349	3.791	50	20	DHGD	
CC(C)n1c([C@@H]2CCCN(C(=O)CCl)C2)nc2ccccc21	1116434360	SRFNTZGCYUYLGS-CYBMUJFWSA-N	319.836	3.562	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCOC3(CCC3)C2)cc1	1333751145	IBQCBGHRAOOJLN-AWEZNQCLSA-N	316.445	3.777	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@H]1CCCO[C@H]1c1ccccc1	1549080672	OCKGEZPPBSXWBM-OALUTQOASA-N	322.408	3.613	50	20	DHGD	
CCC(CC)=NNC(=O)Cc1nc(-c2ccccc2)cs1	7766262	FKIUZQBGBVXMGU-UHFFFAOYSA-N	301.415	3.645	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1c(F)cccc1F	120096917	JOCVCIIJOZTCJT-NWDGAFQWSA-N	322.742	3.865	50	20	DHGD	
O=C(CCC(=O)c1cccs1)NNc1ccc(Cl)cc1	120377917	ZCAMKBDWPOLLFB-UHFFFAOYSA-N	308.790	3.508	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2Br)c1	126641113	VKCKYQCHBMPMDK-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152723022	GDJLFCVHNRWIOY-UHFFFAOYSA-N	323.396	3.740	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2c(C)[nH]c3ccccc23)cn1	154251728	HQVMWBFMIZKTDI-OQLLNIDSSA-N	301.349	3.970	50	20	DHGD	
CC(C)=CCOc1cccc(C(=O)NNc2cccc(F)c2)c1	154824919	BBJBFZHNFZCNBT-UHFFFAOYSA-N	314.360	3.928	50	20	DHGD	
CC1CCC(O[C@H]2CCC[C@@H]2I)CC1	158162650	LGLRXUWONSRIKM-QQFIATSDSA-N	308.203	3.938	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2sccc2Cl)cc1	195224784	LBUPODYZKAPAOW-NTMALXAHSA-N	318.785	3.956	50	20	DHGD	
CC(C)[C@@H](N)CCN(C)C(=O)CCCC[C@H]1CCSS1	236726617	LMMTWHROQINEAZ-KBPBESRZSA-N	318.552	3.532	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)CNc2ccc(C)cc2)cc1	254790987	HKGAGSVDMSYQMK-UHFFFAOYSA-N	309.413	3.510	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cccc3c2OCO3)ccc1[N+](=O)[O-]	255201520	MRKROCLNWWGSBQ-ZSOIEALJSA-N	308.293	3.696	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(Cl)ccc1Br	255447002	AXTJJNFJJZIVAX-UITAMQMPSA-N	314.566	3.573	50	20	DHGD	
CSSCCNC(=O)c1cccc(-c2ccccn2)c1C	284171765	RNSJNVGIJAFSAN-UHFFFAOYSA-N	318.467	3.798	50	20	DHGD	
Cc1nc(C=NNC(=O)c2c(Cl)cccc2Cl)cs1	727781548	PTEWUWWNLKAYPI-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
Cc1ccc(C[C@H](C)NC(=O)NNc2ccc(F)cc2)c(C)c1	731285682	KJWYZPQAAGOTJJ-AWEZNQCLSA-N	315.392	3.700	50	20	DHGD	
O=C(NN=Cc1ccc(-c2c(F)cccc2F)o1)C1CCCC1	734365976	ZVPIYIFPUFXVOK-UHFFFAOYSA-N	318.323	3.865	50	20	DHGD	
CCc1ccc(COC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1	735336790	GYWSONHVIBBOGN-LDADJPATSA-N	321.376	3.908	50	20	DHGD	
O=C(CCC1CCCCC1)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	739233455	CYDONLQJBQBOAB-UHFFFAOYSA-N	321.329	3.559	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)C2CC2)c1C	741612051	ZAEYLQWERPLHFO-WJDWOHSUSA-N	313.445	3.727	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)c1cccc(Cl)c1	741886147	XVFKRYVAPGSXHG-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
CCCCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C\OCC	746511023	WXHIMWREQBHDMF-PEZBUJJGSA-N	318.392	3.788	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1CCCCCCC1	746703939	OUAXIXNYADFTGB-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)Cc1ccccc1	748549421	XIZLEUNPLLBDQO-UHFFFAOYSA-N	300.377	3.846	50	20	DHGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)c3ccc(F)cc3)n12	748997535	FHMQXIGTWHNASN-ZROIWOOFSA-N	305.312	3.572	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NNc1ccc(C#N)c(Cl)c1	753297757	LNPWTWBZKOTWPE-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
Cc1ccc(NCC(=O)NN=CC[C@@H](C)c2ccccc2)cc1	755503934	IOMJDSYWOKTJKJ-MRXNPFEDSA-N	309.413	3.703	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc2ncccc12)c1ccc(F)cc1	756890432	WZWYGMLJNQBLGJ-ZDUSSCGKSA-N	321.355	3.893	50	20	DHGD	
Cc1sc(Cl)nc1C(=O)NNc1c(F)cccc1Cl	762904542	WXYXMKATDROHFU-UHFFFAOYSA-N	320.176	3.654	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)NCCc1cccs1	764903831	DWJBNIWFRCVIBL-UHFFFAOYSA-N	321.471	3.660	50	20	DHGD	
CN(CCc1cccs1)C(=O)[C@H](Br)C(C)(C)C	768202413	WKYVUFADFYLPDK-NSHDSACASA-N	318.280	3.559	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1sccc1O	769792170	TTWAOYUBSWPRJR-UHFFFAOYSA-N	310.378	3.761	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2Cl)cc1[N+](=O)[O-]	769923896	VQVGTDKCVKRSJU-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cccc(Cl)c1O	771675021	VAEQWDSHGPJFIN-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ncc(Cl)cc2Cl)cc1C	775263355	AYEXZOXLGGDBTM-UHFFFAOYSA-N	324.211	3.691	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2c(C)cc(C)cc2C)cc1C	778392320	KMTQMXNHCXEJLJ-CQSZACIVSA-N	314.433	3.845	50	20	DHGD	
COC1CCC(C(=O)NNc2ccc(C(C)(C)C)cc2)CC1	780998370	SRRJZCOGELEECM-UHFFFAOYSA-N	304.434	3.632	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H](c2ccccc2)C1	781083278	XMRFINKTEUVIIH-KBPBESRZSA-N	324.262	3.812	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cccc(OC(F)F)c2)[C@@H]1C	781122190	LORQEASDKZRVPB-WDEREUQCSA-N	310.344	3.830	50	20	DHGD	
Cc1ccc2cc(C=NNC(=O)CCc3ccccc3)ccc2n1	783514130	ZKXPDJVICHHTFD-UHFFFAOYSA-N	317.392	3.626	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1ccc(O)c(Cl)c1)C1CC1	787157212	FLXNHLQYRLRIRR-UHFFFAOYSA-N	308.809	3.978	50	20	DHGD	
COc1cc(NNC(=O)Nc2cc(C(C)C)on2)ccc1Cl	788627444	XXBQZUWXPAABOD-UHFFFAOYSA-N	324.768	3.609	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCC4(CC3)CC4)n[nH]2)cc1	792629386	LAVNSILLWRCHAB-UHFFFAOYSA-N	322.412	3.825	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC3(CC2)CC3)o1	792636382	XMSIQBXPNISZBU-UHFFFAOYSA-N	317.433	3.561	50	20	DHGD	
C[C@@H]1C(=O)CC[C@@H]1CC(=O)NN(c1ccccc1)c1ccccc1	792938286	ATZBQRKKEVLPCQ-JKSUJKDBSA-N	322.408	3.861	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	794457123	VJRCAEWEBDWOKQ-MRXNPFEDSA-N	324.380	3.571	50	20	DHGD	
O=C(NN=C1CCC[C@H]2C[C@@H]12)c1cc2c(s1)CCCCC2	800808936	VWXRFDLPCUXKEC-WCQYABFASA-N	302.443	3.923	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn3ccccc23)cc1C	809146718	SYMUTLVSJPAZFZ-MHWRWJLKSA-N	301.349	3.741	50	20	DHGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	827181073	UVHVYXZRFCNTJY-RISCZKNCSA-N	312.360	3.948	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2Br)CC=CCC1	827506036	JJFKGYUIWNPQOL-AWEZNQCLSA-N	309.207	3.639	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCn2cnc3ccccc32)cc1	837058153	KKDRPRVRPBNPAQ-UHFFFAOYSA-N	322.412	3.693	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(F)c1	849177994	FCNUZNDNRCSLQB-JYRVWZFOSA-N	303.333	3.525	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CC[C@@H](C)C2)c(C(F)(F)F)c1	857265430	MXDQVKQXMFTIIR-ZJUUUORDSA-N	316.323	3.593	50	20	DHGD	
Cc1cccc2cc(C(=O)NC[C@@]3(C)C[C@@H]3Br)oc12	857403813	UUHLZCMEEPOZDG-SWLSCSKDSA-N	322.202	3.645	50	20	DHGD	
CC(C)n1cc([C@H](C)NC[C@@H](CBr)C2CC2)cn1	859250576	LENHWUBNCGAVMZ-WCQYABFASA-N	314.271	3.536	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(Cl)c(OC)c1	863179834	RRJLDBMIGXDMPM-UKTHLTGXSA-N	306.793	3.562	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccnc1Br	865217793	MGXMRTOPWXBVTL-WQLSENKSSA-N	307.191	3.756	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	899361943	ZRYDCZCICZRYIZ-NUBYWOLOSA-N	310.353	3.778	50	20	DHGD	
CSCc1cccc(NC(=O)[C@]2(C)C[C@@H]2Br)c1	906635526	IDFCTDGLUGCLOV-WCQYABFASA-N	314.248	3.662	50	20	DHGD	
Cc1ccncc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912580091	NXCJUEDHOYHUHD-AWEZNQCLSA-N	320.509	3.626	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)CCc2ccco2)c(C)c1	915913872	HZTNZFYGLKBUBH-OAHLLOKOSA-N	315.417	3.852	50	20	DHGD	
BrC[C@H](CN[C@H](c1ccncc1)C1CC1)C1CC1	934702338	WHMIPMLRBZGWMG-CABCVRRESA-N	309.251	3.543	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCC1CCOCC1	1328388013	QYWLHOZNQRZIMV-AWEZNQCLSA-N	317.520	3.633	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cncn1-c1ccccc1	1341570572	YREAWZOBENWJTD-HUUCEWRRSA-N	324.428	3.804	50	20	DHGD	
NCc1ccccc1NC(=O)CCCC[C@H]1CCSS1	1341674932	HCTBHBHCZOIKNC-ZDUSSCGKSA-N	310.488	3.798	50	20	DHGD	
CC(C)(C)c1nnc(NC(=O)C2CCC(Cl)CC2)s1	1346210910	LQLMYBJCPHLQPM-UHFFFAOYSA-N	301.843	3.572	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C/c1nccs1	1351945233	AMPOAJYPZNKPOV-BQYQJAHWSA-N	301.415	3.731	50	20	DHGD	
N#C/C(=C\c1cnn(C2CCCC2)c1-c1ccccc1)C(=O)O	1601045622	GWBDVNQDJNVHLB-GXDHUFHOSA-N	307.353	3.657	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)O)c(Cl)c1	1605010254	GXJDBPOUXDLSDR-KPKJPENVSA-N	305.761	3.950	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	6605572	XENTWESBZJJBHC-LICLKQGHSA-N	301.434	3.584	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc2oc3ccccc3c2c1	7697375	ZNQQJLICJLZICU-VAWYXSNFSA-N	306.321	3.968	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)cc1O	11297373	XMVQXUAAXFHVJO-NTUHNPAUSA-N	313.740	3.844	50	20	DHGD	
CC(C)CC(=O)NNc1ccc(Br)cc1Cl	104122897	RPJMUJVGVCCVQF-UHFFFAOYSA-N	305.603	3.592	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Br)c(C)c2)c(C)o1	114888346	MDSMVHUIBNFVPQ-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@@H]2c2c(F)cccc2F)c1	116442147	LSWQCFQBNTWCEX-STQMWFEESA-N	302.324	3.520	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1	120427894	DPLRJGBQLBMUHK-LBPRGKRZSA-N	300.427	3.938	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1C#N	132638662	KLFGUDZDKCHSOI-YVLHZVERSA-N	316.360	3.974	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ncnc4ccsc34)cc2c1	132777364	VBVOPQZKGBDDFO-UHFFFAOYSA-N	324.365	3.503	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	154749974	VZUCEWHNQACDQR-NXEZZACHSA-N	304.287	3.638	50	20	DHGD	
CC(C)n1cc(Br)cc1C(=O)NNc1ccccc1	175178995	VPFSAUSDWJTMKC-UHFFFAOYSA-N	322.206	3.588	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc2[nH]ccc12	176128126	LYQLLYXKBZFWQM-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccn2)cc1C(F)(F)F	180678928	ZKEYTLOCBFMCGF-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CSc1ccsc1C(=O)NNc1ccc2ccccc2n1	181101544	NYJZLLJSQHNSOK-UHFFFAOYSA-N	315.423	3.775	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)/C=C/c2cncc(F)c2)cc1	183184106	IJFHZVSPURIBFL-RUDMXATFSA-N	313.376	3.675	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc2oc3ccccc3c2c1	220599283	ZNQQJLICJLZICU-QXMHVHEDSA-N	306.321	3.968	50	20	DHGD	
CC(=NNC(=O)NCc1ccco1)C12CC3CC(CC(C3)C1)C2	254863421	PVNUINGDWDOGMI-UHFFFAOYSA-N	315.417	3.671	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1	255878509	UGGUSCPADUMWCX-GDNBJRDFSA-N	310.328	3.518	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)/C=C/c1ccc(Cl)nc1	492983120	GYNGOBCGFBOECR-CSKARUKUSA-N	315.804	3.762	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cn1	588597275	GXSFHOHBLGWAEX-XGICHPGQSA-N	301.708	3.566	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(C)cc1	728434121	TXJRFXUVDJXFMU-UHFFFAOYSA-N	318.323	3.750	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNC(=O)c1ccc2ccccc2c1	733950462	FGUPTIVBWRTILS-CQSZACIVSA-N	324.424	3.817	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1Cl	734093770	RHJDDVQSAUXQCV-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1csc2ccccc12	735698244	WECGSKMKMOIHQH-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CCC(C)(C)C	738527331	XVAHDOMVMWCZMO-UHFFFAOYSA-N	321.490	3.954	50	20	DHGD	
COc1ccc([C@@H](C)C(C)=NNC(=O)c2ccccc2F)cc1	747626455	YWBWUKQJLCUKJE-LBPRGKRZSA-N	314.360	3.744	50	20	DHGD	
O=C(NN=C1CCCc2cc(SC(F)F)ccc21)C1CC1	750918684	XWRCNNPUWDLQBX-UHFFFAOYSA-N	310.369	3.568	50	20	DHGD	
CCc1ccc(C(=O)NN=C[C@@H]2CCOc3ccccc32)cc1	752163305	AQCDVPKPFPQARQ-INIZCTEOSA-N	308.381	3.531	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1	756014010	QXVRZONBPMJZLP-SECBINFHSA-N	300.324	3.763	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCCC(C)(C)C1	761272650	MVGDAJSUUDGMGA-UHFFFAOYSA-N	320.458	3.860	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)c1cc2c(s1)CCC2	767359336	FHYHCQDIMATTRL-UHFFFAOYSA-N	318.829	3.963	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCc1c[nH]c2ccccc12	770295476	INAGGTAAJWQZSD-NSHDSACASA-N	324.218	3.675	50	20	DHGD	
CC1(C)C[C@H](NC(=O)NNc2ccc(F)cc2)c2ccccc21	770439171	YODHHZNYPIUAAR-INIZCTEOSA-N	313.376	3.874	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)c1ccc(C)cc1O	774373884	SVIKRNYCILCVEK-UHFFFAOYSA-N	302.296	3.539	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)[C@@H]1CCCOC1	779771251	ARWBRSRHBBMELJ-SNVBAGLBSA-N	315.200	3.526	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(Cl)cc(C(F)(F)F)c1	780149172	XQCIPFVKKRQURH-ONNFQVAWSA-N	315.678	3.995	50	20	DHGD	
O=C(NNc1ncncc1Cl)c1ccc(-c2ccccc2)cc1	781824999	XOBOJCBSPZABHH-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)nc2)c(Cl)c1C	783654833	AABQWTXDENPULJ-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C\C2CC2)c(C)c(C)c1C	786678819	UOFVIMPQSJVPPU-PXNMLYILSA-N	311.381	3.506	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790224077	SAHUEWHKKWWCGL-DHZHZOJOSA-N	323.320	3.524	50	20	DHGD	
CSSCCNC(=O)c1ncsc1-c1ccccc1	791150805	UMJKRPBGNRSVFG-UHFFFAOYSA-N	310.469	3.551	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N(CC1CCC1)CC1CC1	794394310	UTFNCVNMCWASMG-ZDUSSCGKSA-N	316.283	3.835	50	20	DHGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)c1ccccc1	794856631	NUSUQFYFORYIKU-UHFFFAOYSA-N	302.324	3.703	50	20	DHGD	
CCc1cc(NCc2ccc(OCCCCl)cc2)n(C)n1	811487837	YHYAZYZHQQEKCR-UHFFFAOYSA-N	307.825	3.602	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1	812240079	JEHMOGNKADPVKW-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)c1ccc[nH]1	813124292	NMGVTPAHXKWQHT-ZDUSSCGKSA-N	300.406	3.834	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C(/C)c2cccc(F)c2)cc1	817885658	IMLBBUBOJMFRDU-QBFSEMIESA-N	314.360	3.771	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1CCCCC1(F)F	822362720	CCWOETGIADPGBL-JTQLQIEISA-N	322.277	3.974	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc2cc(Cl)cnc2o1	834438113	HGXRXTXGTHQOLQ-QPEQYQDCSA-N	324.789	3.561	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)CSc1ccc(C)cc1	841612924	SJYBAXSHRWOHFM-UHFFFAOYSA-N	303.431	3.663	50	20	DHGD	
COc1cc(NNC(=O)[C@@H]2CCC(C)=C(C)C2)ccc1Cl	843871782	GYAKJWAYNXUYGQ-GFCCVEGCSA-N	308.809	3.928	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(Cl)nc(C2CC2)c1	847752159	MPDKWWJJYYOKOL-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cc1nsc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1C#N	853897378	FJENQZFUAGLGIS-LBPRGKRZSA-N	323.538	3.924	50	20	DHGD	
COc1ccc(NNC(=O)C2=CCCCC2)c(C(F)(F)F)c1	857264590	GDMZBJMXMKRUSD-UHFFFAOYSA-N	314.307	3.658	50	20	DHGD	
C[C@@]1(CNC(=O)CC2CCCCCC2)C[C@H]1Br	857394980	VCUXUVHUDOMFGZ-OCCSQVGLSA-N	302.256	3.637	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1c(Cl)cccc1Cl	860113552	MTSPENLOEZVUOV-UHFFFAOYSA-N	300.189	3.766	50	20	DHGD	
COC1CCC(CC(=O)NNc2cc(Cl)ccc2C)CC1	885125772	YEKAFOVWYFGBIF-UHFFFAOYSA-N	310.825	3.687	50	20	DHGD	
CN(Cc1cc2ccccc2o1)C(=O)[C@@]1(C)C[C@H]1Br	906880536	DDPSNOLKZFSTEO-HIFRSBDPSA-N	322.202	3.565	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2ccc(F)cc2)cc1	912710023	DPIBHGKCBQDNOS-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(C#N)cc1	916310579	XWLNFLSDMFMYIF-UHFFFAOYSA-N	321.424	3.615	50	20	DHGD	
Cc1cccc2cc(C=NNC(=O)CC(C)C)c(Cl)nc12	916343051	ZYIRVPIPAGYDQB-UHFFFAOYSA-N	303.793	3.693	50	20	DHGD	
N#CCc1ccc(OCc2ccccc2NC(=O)CCl)cc1	1319683149	XZVOBKXRSHPOLG-UHFFFAOYSA-N	314.772	3.509	50	20	DHGD	
N#C/C(=C\c1scnc1C1CC1)c1nc(N)c2ccccc2n1	1324772785	NIUIOSMKOVKFIO-YRNVUSSQSA-N	319.393	3.610	50	20	DHGD	
C[C@@]1(CNCc2ccc(N3CCCC3)cc2)C[C@@H]1Br	1331033432	NEJIXPYIKLARLT-HOTGVXAUSA-N	323.278	3.550	50	20	DHGD	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1c[nH]c2ccccc12	28424215	PIAXZNWAUVHESQ-UKTHLTGXSA-N	317.304	3.866	50	20	DHGD	
COc1ccc(Br)cc1/C=C(/C#N)c1ccccn1	33595947	XESMGAVIWGOCMK-WQLSENKSSA-N	315.170	3.917	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	104131063	YVFFOVIRJOAZRH-UHFFFAOYSA-N	322.380	3.975	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2)cc1[N+](=O)[O-]	130397184	WXLFKIVDSCHYFL-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cncc(-c2ccccc2)c1	137115238	LTMYUGMTUNBSDG-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
N#Cc1cccc(NNC(=O)CCCc2c[nH]c3ccccc23)c1	152240346	QIMQGCHRAMYVIX-UHFFFAOYSA-N	318.380	3.506	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1cccnc1Cl)c1ccccc1	171349838	PTZLZJSVFQORMR-GQVHDAKQSA-N	311.772	3.519	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)OC(C)C)s2)cc1	172043808	HTXJGYKVLPHJDP-RIYZIHGNSA-N	312.394	3.977	50	20	DHGD	
O=C(Cc1ccccc1Cl)NNc1cccc2cnccc12	178516514	PFSPGOIGNMICPZ-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
CCc1ccc(C(=O)NNc2nc3ccccc3cc2C)s1	181277569	QUNRYAZCDBYFNH-UHFFFAOYSA-N	311.410	3.924	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1cccc(Oc2ccccc2)c1	182458182	AYKTXXYZNBKLNI-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	195173475	SSWXMYRUNKILBI-VGOFMYFVSA-N	309.296	3.653	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(N)cc1	254387702	SYSNRSISNVVLCZ-UHFFFAOYSA-N	309.413	3.720	50	20	DHGD	
Cc1ncsc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	255913396	BNMRWYBRYYRXBA-POHAHGRESA-N	303.774	3.651	50	20	DHGD	
C[C@H](Br)c1ccc(NC(=O)OC(C)(C)C)nc1	536958751	KLQKSWJMWUFRFX-QMMMGPOBSA-N	301.184	3.885	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(C)c(C)c1O	728156621	KMLCTHFHVUBCEJ-UHFFFAOYSA-N	311.385	3.863	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)OC(C)(C)C)CCN1Cc1ccccc1	734295558	HASWXQKMSKKZMW-CQSZACIVSA-N	317.433	3.552	50	20	DHGD	
CC1(C)Cc2cccc(/C=C(\C#N)C(=O)NC3CCCCC3)c2O1	737442262	AXRKGVRIHULEGS-LFIBNONCSA-N	324.424	3.756	50	20	DHGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)c1ccccc1	737442782	DZDSUONTNDDNQU-JYRVWZFOSA-N	307.740	3.778	50	20	DHGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=CC1CCCCCC1	741839037	ZNJDKJBCVQYRLO-CYBMUJFWSA-N	306.381	3.665	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)nc1)c1cccc(Cl)c1	743816663	SJQKWGXBQUHZFO-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
C/C(C=NNC(=O)c1cn(C)c2ccccc12)=C\c1ccccc1	744780928	MJMFLOUDOHBBMJ-BZTBMDLCSA-N	317.392	3.997	50	20	DHGD	
C[C@H](c1ccccc1Cl)N(C)CCI	759339741	UVHVKMCNTNDXOK-SECBINFHSA-N	323.605	3.768	50	20	DHGD	
C[C@@H](c1ccccc1)N(CCI)C1CC1	759399620	TYQCLIXRFDIOFR-NSHDSACASA-N	315.198	3.647	50	20	DHGD	
O=C(CCc1ccccc1)NN=C1CCC(C(F)(F)F)CC1	766020541	FGJRRVRDYCNLHW-UHFFFAOYSA-N	312.335	3.844	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CC23CCCCC3)cc1	771282222	JUROCXWDKIJYKW-XSVZSIDJSA-N	324.424	3.831	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(C(=O)O)c3)[nH]c12	774129954	HXKLWOOSRIBLSM-NTEUORMPSA-N	303.321	3.634	50	20	DHGD	
CCN(c1cccc(Cl)c1)S(=O)(=O)CCCCCl	780726061	HUEFGCMGKOJXGI-UHFFFAOYSA-N	310.246	3.515	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)C2CCOCC2)cc1	794958802	OXBUHKGEKPRFSC-LGMDPLHJSA-N	313.397	3.768	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1ccc(OC)c(OC)c1	797397962	MQYUEVBMXBKNSC-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccsc1	802394696	LZIIWUAOAVPRCY-MRVPVSSYSA-N	313.785	3.928	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2)cc1C	809160162	IKWPXRCUPBARKT-YVLHZVERSA-N	305.333	3.792	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@@H](C#N)C3)cc2C1	814759526	GAVNGJGFAGSLSG-VXGBXAGGSA-N	315.442	3.672	50	20	DHGD	
CCOc1ccc(NNC(=O)/C(C)=C/c2ccc(C)cc2)cc1	817908330	CQFUHUCNOPPFEA-FYWRMAATSA-N	310.397	3.940	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc3oncc3c2)c1	821028651	VCJOWMKUGLNFHB-ZSOIEALJSA-N	303.321	3.682	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2C)c(C(C)C)n1	827516289	PVBCGPDQAVMHPA-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(C)cc2Cl)CC1	836937956	SEMFMWFCZSKKEX-UHFFFAOYSA-N	310.825	3.687	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1cc(Cl)ccc1O	853283390	NWPIHOQBHFOVOE-NSHDSACASA-N	306.793	3.898	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@H](C(F)(F)F)C1)NC1CCCC1	853297053	RIFQUNLUYZUIBC-QWRGUYRKSA-N	305.344	3.583	50	20	DHGD	
CC(C)(C#N)CC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891549425	QZMBEDDUAGZZRN-AWEZNQCLSA-N	324.541	3.939	50	20	DHGD	
Cc1ccc(Cl)cc1CNC(=O)NNc1ccc(F)cc1	1123641122	GUJNXQXAOVEWLA-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC)cc1)c1cc(F)ccc1F	1323268428	IQZITYDATQYJJI-UHFFFAOYSA-N	318.323	3.518	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccn1C1CC1)c1ccccc1	1327375933	PKDQJZIXPUBNQI-XAVZPLJISA-N	319.408	3.997	50	20	DHGD	
COc1ccccc1-c1ccc(C(=O)N2CC=C(C#N)CC2)s1	1446279148	XJUKSTUENLQCMY-UHFFFAOYSA-N	324.405	3.720	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2cccc(Cl)c2)C1)c1ccon1	1552336575	XNMNYAWXVGNXGO-LBPRGKRZSA-N	317.776	3.772	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1C(=O)O	1607841157	CPGJAWLMYHSOQK-UHFFFAOYSA-N	312.369	3.574	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc(C(=O)O)cc1	1776098938	HLEMOIJJKVLDPJ-IUODEOHRSA-N	316.401	3.563	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	16499749	ADDSPFYBYRFWTO-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)CC(C)(C)C)oc12	103196159	NGNXHINVKHDIFC-UHFFFAOYSA-N	316.401	3.555	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc2ccc(Cl)cc2[nH]1	114886580	NKGDZLYXPHKTLB-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
O=C(CCc1c[nH]c2ccccc12)NNc1c(F)cccc1F	118515140	UZYBXNPXTLDZHH-UHFFFAOYSA-N	315.323	3.522	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)n(-c3ccccn3)c2C)cc1	120879764	GCQRCOJGQSFSGU-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
COc1ccccc1[C@H]1CCCN1C[C@H](C)CBr	133736800	KASAUVYAGMXIDD-TZMCWYRMSA-N	312.251	3.863	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2c(F)cccc2F)cc1	156203322	NDVRHKLAMBSWIW-UHFFFAOYSA-N	321.327	3.901	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1nc(C2CC2)cs1	170698319	ICDLNTAKLSZDJJ-UHFFFAOYSA-N	308.794	3.823	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(C)nc2sc(C)cn12	171019445	NIGNBJSAHSDWHW-NTUHNPAUSA-N	301.415	3.925	50	20	DHGD	
CC(C)(C)Sc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	179820283	VRNHOLILIVRTOA-UHFFFAOYSA-N	323.462	3.776	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc2c1CCC2	181318224	BAARMNSWTBXWBT-UHFFFAOYSA-N	317.392	3.789	50	20	DHGD	
CCn1cc(C(=O)NNc2c(C)cccc2F)c2ccccc21	184299106	FCTZGDUNPSASNY-UHFFFAOYSA-N	311.360	3.866	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1nc(C2CC2)cs1	186070728	ZLCSJAACRFWFFY-UHFFFAOYSA-N	306.366	3.617	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(Cl)nc1Cl	277273323	JOCWEWFDBFMAHT-DHZHZOJOSA-N	312.200	3.602	50	20	DHGD	
CCCN(N=Cc1c(C)nn(CCC)c1C)C(=O)OC(C)(C)C	495613041	PBAGFCOCNQSALM-UHFFFAOYSA-N	322.453	3.891	50	20	DHGD	
CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(C)s1	729638533	QGLLBWDZWQNMKI-UHFFFAOYSA-N	311.410	3.552	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1ccc(C(C)C)cc1	729935005	IDNQDIYBLOIKTC-UHFFFAOYSA-N	324.424	3.989	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)Cc1cccs1)c1ccccc1	731932184	AUTRDWOIYMEQOO-MRXNPFEDSA-N	300.427	3.977	50	20	DHGD	
Cc1c(C(=O)NNc2c(F)cccc2F)oc2c(F)cccc12	735698166	PLYFWPLLVOUNDW-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
CC(C)(C)C1CCC(=NNC(=O)COCc2ccccc2)CC1	737438700	DUVZFPBJOSKALD-UHFFFAOYSA-N	316.445	3.912	50	20	DHGD	
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)NC3CCCCC3)c2O1	737442265	AXRKGVRIHULEGS-WJDWOHSUSA-N	324.424	3.756	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccccc1C	744772810	BYFXAONRQPQSFZ-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1ccc(Br)cc1F	748213294	FWQLTNOGLJRRIE-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1(C)C	748666422	MTSHHCHJKFXPOK-IUODEOHRSA-N	317.389	3.585	50	20	DHGD	
CC(CCO)=NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	750937400	JGFBWVLSMKVMDM-UHFFFAOYSA-N	324.595	3.527	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccnc1C1CC1	752757065	NABMXLOIGXSRPI-UHFFFAOYSA-N	318.380	3.573	50	20	DHGD	
O=C(NN=CC1CCOCC1)c1cc2c(s1)CCCCCC2	755566636	PYFRGGWJMRHIBN-UHFFFAOYSA-N	320.458	3.549	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1	755660374	BBGYAEQOPORCNP-PKOBYXMFSA-N	322.408	3.534	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1	756011711	CEIWQWVCVYGCRJ-VIFPVBQESA-N	300.324	3.763	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2cc(C)ccc2F)cc1	760141617	RRJFTHJNOXMNAL-ZDUSSCGKSA-N	300.377	3.943	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccncc2)c(Cl)c1	763338057	ILTQMHYVUWUISC-UHFFFAOYSA-N	319.817	3.611	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccc(Cl)nc1	764466424	NTOBLEPULMMZSQ-UHFFFAOYSA-N	318.808	3.704	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)CSc1nc(C)cc(C)n1	764659768	OYGYQAZKQOWJRX-UHFFFAOYSA-N	322.478	3.504	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(N(C)C)c1	769567516	AYHXZROQJMRIFQ-KGLIPLIRSA-N	301.434	3.685	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1ccccc1F	776190355	SNGUBMNWWFVMGL-ZRDIBKRKSA-N	311.312	3.633	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNc1cc(Cl)nc(C)n1	781942545	DXNANERYKNIORO-HNNXBMFYSA-N	312.845	3.878	50	20	DHGD	
CC1(C)CCC(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	787473646	BYKZOPDQMBVXRD-LFIBNONCSA-N	312.413	3.632	50	20	DHGD	
Cc1ccccc1[C@@H](NC(=O)NNc1ncccc1C)C(C)C	791024587	ZIVVXVQAHSBAPW-INIZCTEOSA-N	312.417	3.722	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(OCC#N)c1	799388288	WBUPHVNQFHWWRZ-UHFFFAOYSA-N	324.384	3.608	50	20	DHGD	
C[C@@H]1CC[C@H](C=NNC(=O)c2cccc(Br)c2)C1	800813062	RBGKXKBAYKRMPO-MNOVXSKESA-N	309.207	3.601	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1cccc(Cl)c1Cl	801863280	XGXVDUQUJNOYSZ-UXBLZVDNSA-N	324.163	3.579	50	20	DHGD	
CC1(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CCC1	802037606	MUIXHTLRGBZMAP-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	806970002	CBUVGYMCBFBVIG-KWCYVHTRSA-N	307.825	3.785	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(C(F)(F)F)[nH]1	807969592	UMVHBWYOMJPXSX-UHFFFAOYSA-N	323.318	3.507	50	20	DHGD	
C=C(C)[C@H]1OCC[C@@H]1CNCc1ccc(OCCCCl)cc1	811501419	LDFWOVNWSFOSIZ-SJLPKXTDSA-N	323.864	3.765	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2nc[nH]c2c1	812765029	SLXHWJSMWITISQ-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2c1OCO2	812767695	QBHLEKWDDUNNAN-UHFFFAOYSA-N	312.369	3.604	50	20	DHGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)CC1CCCC1	814219972	UEQLVKKFEZSODL-GOOPZCANSA-N	314.429	3.919	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CC[C@@H]2C2CC2)cc1	814703182	AGWCLXMOQWQIJY-GOSISDBHSA-N	321.424	4.000	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CC(c2ccccc2)C1	814823521	KBEQATNDKKOZEH-UHFFFAOYSA-N	308.381	3.505	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1(C(F)F)CCCC1	819746582	CWBLUUXGTSCPJC-UHFFFAOYSA-N	324.158	3.657	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(C)cc1Cl	836937990	UFWFTAAPECJQBJ-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
CCC(C)(C)OCC(=O)NNc1cc(Cl)ccc1Cl	837487338	FVYIKFFZEYNWHD-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
Cc1ncc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)cn1	844349073	IIPUSGOOXGZXFS-INIZCTEOSA-N	321.541	3.771	50	20	DHGD	
C[C@]1(CNCc2ccc(F)c3cccnc23)C[C@H]1Br	856808522	ZXAYRRNCYNOBBE-UKRRQHHQSA-N	323.209	3.637	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)C2CCC2)c(C(F)(F)F)c1	857264779	MQTHMRJUJYFUKL-VIFPVBQESA-N	316.323	3.593	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@@H](CC)C2)cc1	915197588	YVLKXUWMNUQMFD-UHVIJJLKSA-N	312.413	3.641	50	20	DHGD	
O=C(NN=Cc1cccc2ccccc12)c1ccc(Cl)nc1	915973834	SDIFPOHNGRTQBR-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
O=C(CCl)N[C@@H](c1ccc(Br)cc1)C1CCC1	1324702380	WYSJYGZTQUIHCF-CYBMUJFWSA-N	316.626	3.645	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNc1ncccc1C(=O)O	1589642363	PTXHHURTHZUGMP-KRWDZBQOSA-N	321.421	3.610	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CCC2CCCC2)cc1	516613	VPECHLYOMNNAMS-UHFFFAOYSA-N	316.445	3.716	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(SC)cc2)cc1	6181981	SJAWAVVOZMHVBM-SDNWHVSQSA-N	324.405	3.963	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(OC(F)F)c1	57770339	GTEZGQVBPZEANB-GHXNOFRVSA-N	303.264	3.979	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cc(C#N)cc(Cl)n1	93545440	QRHDDIXLXFTXEU-LLVKDONJSA-N	308.813	3.656	50	20	DHGD	
N#Cc1cc(Cl)nc(NNC(=O)c2ccc3ccccc3c2)c1	93546082	DHOPCQWJMMUTCT-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ncoc1-c1ccccc1	112041630	WYDVOVLYGZFUGL-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)c1ccc2ccccc2c1	163563426	GDILLHIBNDFGOO-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
C[C@H](CC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175473441	HNPSAWCHQZZYJB-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)c1	176777782	JHHBAMZDNXMOTA-ZDUSSCGKSA-N	323.318	3.569	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1C	194518081	OUTRXMYUINPINW-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c1F	195502002	NQQJRYTYXYFBHL-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
CCOc1ccc(C(CC)=NNC(=O)C2CCC2)cc1OCC	731933265	GQIDMHHMTDVHBA-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(F)c(F)c1F	732830534	OSSISUUWDQNGHS-LBPRGKRZSA-N	322.330	3.816	50	20	DHGD	
CCOCC(C)=NNC(=O)Nc1ccc(-c2ccccc2)cc1	741765726	KKBWQVTXBAHTFG-UHFFFAOYSA-N	311.385	3.888	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1cc(Cl)ccc1O	744773767	QDHIWACNBCZZML-UHFFFAOYSA-N	316.788	3.784	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1c(C)nn(C(C)C)c1C	746488134	DROYFNVGTSRIIY-UHFFFAOYSA-N	312.417	3.543	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cnn(-c2ccccc2)c1	748250601	DZJXORWSDZQDSS-CQSZACIVSA-N	312.417	3.804	50	20	DHGD	
Cc1cccc(CCNC(=O)NNc2ccccc2Cl)c1	749185609	LPLJYOYYQJQXRA-UHFFFAOYSA-N	303.793	3.517	50	20	DHGD	
Cc1nccc([C@@H]2CCCN(/C(=C\C#N)c3ccc(F)cc3)C2)n1	750794897	LGILPMVWKKFSJP-VCDYGYSOSA-N	322.387	3.668	50	20	DHGD	
O=C(CCc1ccccc1)NN=CCCCCOc1ccccc1	753961384	YCLVBUGQWHGRPJ-UHFFFAOYSA-N	324.424	3.971	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2cccc(C)c2Cl)c1	754177806	HOYOWMKUQQUACG-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
CC[C@@]1(C)CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768198749	JNNOIICWQUDIIL-RISCZKNCSA-N	304.272	3.835	50	20	DHGD	
Cc1ccc2c(c1)CCN2C(=O)[C@@H](Br)C(C)(C)C	768387724	WNPYGMZLALUILV-CYBMUJFWSA-N	310.235	3.694	50	20	DHGD	
CC#CCCCC(=O)NNc1ccc(Br)cc1CC	768449267	NIZOATBIHVBFQP-UHFFFAOYSA-N	323.234	3.648	50	20	DHGD	
CCCC(=NNC(=O)C(F)F)c1cccc(C(F)(F)F)c1	782236078	ZYRPNVQSMKCWFO-UHFFFAOYSA-N	308.250	3.591	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1Cc1cccc(OC)c1	791445992	DRDMJAPZKONWJB-OAHLLOKOSA-N	324.262	3.653	50	20	DHGD	
CC(C)O[C@H](C=NNC(=O)CC1CCCC1)c1ccccc1	792995200	JBMNUUSRYRNZDZ-QGZVFWFLSA-N	302.418	3.835	50	20	DHGD	
C=C(CBr)COC(=O)C(C)(C)Cc1ccccc1	795516428	HGQBIIAVWVQMMS-UHFFFAOYSA-N	311.219	3.750	50	20	DHGD	
O=c1cc(/C=C/c2cccc(CCl)c2)[nH]c(-c2ccncc2)n1	806563667	WVRKVTQVVZTCRW-SNAWJCMRSA-N	323.783	3.741	50	20	DHGD	
CC(C)[C@H](Oc1cccc(Cl)c1)C(=O)NCC(Cl)Cl	808130691	GTGXIXSMWYMALL-LBPRGKRZSA-N	324.635	3.663	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCc2ccc(C#N)cc21)c1ccccc1	811642440	RETUIRBZVMWYCD-KRWDZBQOSA-N	317.392	3.519	50	20	DHGD	
CCCCOCCNC(=O)NNc1c(C)cccc1C(C)C	813049704	CJQWZASGEHFQOU-UHFFFAOYSA-N	307.438	3.561	50	20	DHGD	
CO[C@H]1CCC[C@@H]1CNC(=O)NNc1c(C)cccc1C(C)C	813128042	ZSOUCSCSPGXOHS-ZBFHGGJFSA-N	319.449	3.560	50	20	DHGD	
CC(C)(CC(=O)NNc1ccccc1Br)C1CC1	815850886	HOSHEYWJPPNXPY-UHFFFAOYSA-N	311.223	3.719	50	20	DHGD	
O[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)C12CCCC2	816630760	QSCKIVPXFXKQDK-QGZVFWFLSA-N	323.864	3.574	50	20	DHGD	
C[C@@H](O)CCCN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	844348931	GTCYWTZFTVSHLH-CABCVRRESA-N	301.547	3.634	50	20	DHGD	
Cn1ncc(C2CC2)c1/C=C(\C#N)C(=O)c1ccc(Cl)s1	849250615	VNKCOJXLPLITNJ-UXBLZVDNSA-N	317.801	3.802	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)CCSc1ccc(F)cc1	853276029	VPQPLUXVAYZHJJ-UHFFFAOYSA-N	321.421	3.740	50	20	DHGD	
CC(C)Cc1ccc([C@H](C)C(=O)NCCCSC#N)cc1	854359083	DHRFYMRKTWHBAJ-AWEZNQCLSA-N	304.459	3.709	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC(C)(C)c1ccc(C(C)C)cc1	855191321	YWLSNUDMEBKHJY-NTCAYCPXSA-N	300.402	3.605	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(Cl)cc1O	857081593	HBNCSZWDYXQWKL-HJIKLVIJSA-N	318.642	3.870	50	20	DHGD	
CO[C@@H](C(C)=NNC(=O)c1cc(C)cs1)c1ccccc1	863155360	HJCOKOGNBWOPJE-HNNXBMFYSA-N	302.399	3.550	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccccc1N1CCCCC1	916360618	BMBDAYGUAQXENS-UHFFFAOYSA-N	321.424	3.749	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)c1ccccc1Cl	1116132628	NMWRMMIHHJUQKB-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC(C)(C)C2(C)C)cc1	1116219293	KKWRNURXTMZQCZ-RVDMUPIBSA-N	312.413	3.639	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2c(Cl)cccc2Cl)CCO1	1336404844	UIKGBAACPJFBIJ-SECBINFHSA-N	317.216	3.642	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)c1ccc(C)c(C)c1	1346997346	RWUGWVYEOLRFGA-SXGWCWSVSA-N	307.349	3.808	50	20	DHGD	
O=C(C[C@H]1CCCO1)NNc1c(Cl)cc(Cl)cc1Cl	42195772	QXJGCAQJQGTXPN-MRVPVSSYSA-N	323.607	3.659	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(Cl)c2)oc2c1C(=O)CCC2	45080745	FFJZAXHBOXWRNK-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)c1nc2ccccc2[nH]1	50552101	CJOMYUMHHIGUAK-LUAWRHEFSA-N	319.755	3.928	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OCCC(C)C)c1	50956864	DWUGUFWOLICVIP-GDNBJRDFSA-N	317.385	3.590	50	20	DHGD	
COc1ccc2oc(C(=O)NNc3cccc(C)c3)c(C)c2c1	72513993	CQBQCPHIZIWHGD-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
CC[C@@H](C)n1ncc(C(=O)NNc2cccc(F)c2)c1C1CC1	89866099	JVGUIVULSBIUEQ-LLVKDONJSA-N	316.380	3.628	50	20	DHGD	
CC[C@H](C)c1ccccc1OCC(=O)NNc1cccc(C#N)c1	152590374	AYIVROIRFYQCTK-AWEZNQCLSA-N	323.396	3.594	50	20	DHGD	
O=C(/C=C/c1ccc2ccccc2n1)NNc1cccc(F)c1	154435233	OMHZFFXARXFAJJ-ZHACJKMWSA-N	307.328	3.530	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1ccccc1Cl	158191006	NYEYJVQSJPRZKD-VAWYXSNFSA-N	316.788	3.895	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	172815190	IXLVRZJMAPGZKQ-ATVHPVEESA-N	318.376	3.730	50	20	DHGD	
C[C@H]1CC(=O)CC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1	182873374	FAEZRZDOVQKTFB-HNAYVOBHSA-N	322.408	3.861	50	20	DHGD	
CC(C)C[C@H]1CCCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194743486	LFFCUHCHPHGORJ-TXQCQQFXSA-N	312.413	3.726	50	20	DHGD	
COc1ccc(CN(C)/C(=C\C#N)c2ccc(F)cc2)cc1O	255343765	LJSBKVAICRUASV-SXGWCWSVSA-N	312.344	3.536	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1COC(C)(C)CC	490847601	YABXWFQWWDDYRP-NTCAYCPXSA-N	316.401	3.774	50	20	DHGD	
C[C@H](CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	491010016	LFQYSGSTEIDSKF-PWDRBQJJSA-N	320.392	3.561	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cn2c(C)cc3ccccc32)c1	728056862	RBOSJGDGUAQUDI-UHFFFAOYSA-N	307.397	3.710	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc(F)cc1Cl	734249961	KLVHAEFNNGTEHD-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
N#C/C(=C\c1occc1Br)C(=O)c1ccccc1	735303907	BNSGAKUFRLFNIV-DHZHZOJOSA-N	302.127	3.832	50	20	DHGD	
COc1cc(OC)c(NC(=O)NN=CCC(C)C)cc1Cl	741772599	VVMKEKPFRSOHEP-UHFFFAOYSA-N	313.785	3.511	50	20	DHGD	
C[C@@H](C(=O)NNc1ccnc2cc(Cl)ccc12)C(F)(F)F	743297185	NIOUHPRLYHAPDL-ZETCQYMHSA-N	317.698	3.530	50	20	DHGD	
COc1ccc(NNC(=O)CCc2ccc(C)c(Cl)c2)cc1	746885624	AXRJOLLADSPULG-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
O=C(NN=C/C=C/c1ccccc1)c1cccc2cccnc12	747356458	RBFQFMKCKAKBAO-LVRSFXBKSA-N	301.349	3.664	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1C	747646841	RRIZSVLRXHNRJU-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2cccc3c2CCCC3)cc1	748587737	BKDGTCCPLRMRBE-UHFFFAOYSA-N	322.408	3.915	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1ccc(-c2cccc(F)c2)s1	750936963	ZWEYCPZGJUTQAH-UHFFFAOYSA-N	317.389	3.597	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2ncnc3ccsc23)CC1	752127444	MYMIDNHKNOKYTC-UHFFFAOYSA-N	318.446	3.741	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	753657096	WQJCMXYMMGSEGS-UHFFFAOYSA-N	313.785	3.908	50	20	DHGD	
CC(C)c1ccc(CC=NNC(=O)c2ccc(Cl)nc2)cc1	760250962	QSRJBDLJDVRYAX-UHFFFAOYSA-N	315.804	3.817	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc(Cl)cs1	760488784	ANDRBSNTDQZXSW-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)c2ccsc2)c2ccccc21	769728333	UCWLBRVOLFEDCK-UKTHLTGXSA-N	307.378	3.908	50	20	DHGD	
CC(C)c1ccccc1NC(=O)NNc1cccc([N+](=O)[O-])c1	769923210	TVUIFOCZTOXJEQ-UHFFFAOYSA-N	314.345	3.867	50	20	DHGD	
CC[C@@H](NC[C@@H](C)CBr)c1ccccc1OC	770668271	XVCPWYNFTCLPEB-WCQYABFASA-N	300.240	3.767	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc(O[C@@H](C)C#N)cc2)ncn1	773173495	ROELDYNQUZDPOH-OBTCNRAFSA-N	322.393	3.554	50	20	DHGD	
Cc1nnc(COC(=O)CCCC[C@@H]2CCSS2)s1	773473845	QKGFKNXCQAZXSE-SNVBAGLBSA-N	318.489	3.604	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2C)c1C	778235916	RQXCDZMJSAYZAJ-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(Br)cc1F	780657402	QRIXAVVTFYDEDU-BDAKNGLRSA-N	317.202	3.714	50	20	DHGD	
COC(=O)c1occc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	783687138	GNEUMUMMRHHPMP-TWGQIWQCSA-N	321.741	3.571	50	20	DHGD	
O=C(Cc1ccsc1)NNc1cc(Cl)cc(Cl)c1	791723022	QFTZNYPEULOJLU-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
COc1cc(NC(=O)NNc2ccccc2F)c(C)cc1C	797677656	YYELYTPMFWURSZ-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
CC(C)c1ncc(CN(C)/C(=C\C#N)c2ccc(F)cc2)cn1	799333757	GGHBDIZZMTXTQI-IUXPMGMMSA-N	310.376	3.736	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1ccccc1F	810680537	SCZYTICDXCKDNI-UHFFFAOYSA-N	306.768	3.945	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCCn1ccc2cc(Cl)ccc21	811203606	ZWIDEZKFLSDFAI-ZROIWOOFSA-N	314.772	3.698	50	20	DHGD	
CSSCCNC(=O)NNc1c(C)cccc1C(C)C	813161258	UILMNOPOZNEACD-UHFFFAOYSA-N	313.492	3.756	50	20	DHGD	
COC(=O)N(C)N=C(Cc1c(F)cccc1Cl)c1ccoc1	814926472	YILQKUWPSWVMAI-UHFFFAOYSA-N	324.739	3.717	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H](OC(C)(C)C)c1ccccc1	816629628	URSBPPMKVIOUNM-CYBMUJFWSA-N	318.244	3.805	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)NCC(C)C)cc2ccccc12	834412395	CZUNNDVRGSAXDC-SXGWCWSVSA-N	308.381	3.528	50	20	DHGD	
CC(C)(O)CCN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	844348367	WWKWNRRIMMGLQF-AWEZNQCLSA-N	301.547	3.634	50	20	DHGD	
Cc1cccc(-n2cc(C=NNC(=O)CC3CCCC3)c(C)n2)c1	844580512	XMQQGFFURHIGBI-UHFFFAOYSA-N	324.428	3.520	50	20	DHGD	
C[C@H](CC(=O)N(C)CC(Cl)Cl)c1c[nH]c2ccccc12	848084857	YONRCPSDVPXSKF-SNVBAGLBSA-N	313.228	3.924	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cncc(OC)c2)c1C	849176220	IXLVVWSTOFVGMO-LZYBPNLTSA-N	323.396	3.708	50	20	DHGD	
CC(C)(C)N1CC[C@H](NCc2ccc(OCCCCl)cc2)C1	850350593	DKMPDTMTHONGKL-INIZCTEOSA-N	324.896	3.657	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@]2(C)C[C@H]2Br)c(C)c1	856811734	SQFOLFVDLOAPSF-OCCSQVGLSA-N	311.223	3.598	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)c1ccc(C)cc1O	863081805	XYMMCSBUJAJMEG-UHFFFAOYSA-N	310.397	3.829	50	20	DHGD	
CCCCn1ncc(NC(=O)NCC(Cl)Cl)c1C(C)C	879363522	VRXDVBUBLSGHOK-UHFFFAOYSA-N	321.252	3.732	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NN=c1cc[nH]c2ccccc12	894425232	HDMZYSPPWYNESL-UHFFFAOYSA-N	323.396	3.613	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCCC(C)C)c1C	914506286	QGLJTXDSQQMYLV-PDGQHHTCSA-N	315.461	3.974	50	20	DHGD	
CCn1cc(C=NNC(=O)c2ccccc2F)c2ccccc21	915048873	LXLDOCONCCVUQH-UHFFFAOYSA-N	309.344	3.564	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCC(C)(C)C)c(C)n1CC(C)C	919832350	OYZZMWKVVNHAOH-RQZCQDPDSA-N	315.461	3.830	50	20	DHGD	
Cc1cc(NNC(=O)c2cc3c(s2)CCOC3)ccc1Cl	928340986	KFDFDMBMMIMKTR-UHFFFAOYSA-N	322.817	3.540	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cccc([N+](=O)[O-])c1	935017469	RXDREIWJPUQHDR-UHFFFAOYSA-N	317.345	3.551	50	20	DHGD	
CC(C)(CNC(=O)c1cccc(CCl)c1)c1cccnc1	1336533270	CNIPLHLRXPNQGG-UHFFFAOYSA-N	302.805	3.528	50	20	DHGD	
Cn1cccc1[C@@H]1CCCN1C(=O)c1cccc(CCl)c1	1346429545	QAWBFYUWCOJMBJ-INIZCTEOSA-N	302.805	3.741	50	20	DHGD	
C[C@@H](CC(=O)c1cccs1)NC(=O)C1CCC(Cl)CC1	1528055316	WDPWAMZUOOGVII-UNXYVOJBSA-N	313.850	3.623	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccccc2C(=O)O)o1	1603700299	QLBQIDZSGRMCDZ-FMIVXFBMSA-N	309.321	3.777	50	20	DHGD	
COCCN(Cc1cccs1)C(=O)c1cccc(CCl)c1	37829473	ZXNVHTQEIRCGNL-UHFFFAOYSA-N	323.845	3.776	50	20	DHGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccccc2)c(C)c1	38322188	PZEPMFNUZCTSFE-WOJGMQOQSA-N	304.393	3.835	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cnn(-c2ccc(F)cc2)c1	76761952	GKYMHKBDUKYVNF-ZSOIEALJSA-N	321.311	3.703	50	20	DHGD	
C[C@H](CC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	115720152	IHZJACRTRNGOFW-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1c[nH]nc1C(C)(C)C	127361451	QOYFBGIBXNAKJT-ZROIWOOFSA-N	322.412	3.870	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2cccc(F)c2)cc1	154472817	RWXKCYNYDCEKEP-UHFFFAOYSA-N	304.390	3.836	50	20	DHGD	
N#C/C(=C/c1cc(F)cc(F)c1)C(=O)Nc1ccccc1F	158654052	SZCBVJBRUTZBBP-WZUFQYTHSA-N	302.255	3.650	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(Br)c2C)c1	175229806	GKWSVHZSCAXJFO-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3cccc4c3CCCC4)cc2n1	179024568	UXZUAEJVTYJLLB-UHFFFAOYSA-N	321.380	3.772	50	20	DHGD	
CCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)CC)cc1	191772986	UMZWFVQZWZYTOT-FOWTUZBSSA-N	307.415	3.555	50	20	DHGD	
COCC[C@H](NC=C(C#N)C#N)c1ccc(Cl)c(Cl)c1	283843674	HKAUKZBULIIJGT-AWEZNQCLSA-N	310.184	3.592	50	20	DHGD	
Cc1ccsc1/C=C(/C#N)C(=O)NCc1ccc(F)cc1F	490701436	WXRWEBKBLDNOAA-SDQBBNPISA-N	318.348	3.558	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cn1	588577790	PZEXKSHBDCGGAI-YBEGLDIGSA-N	323.371	3.855	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1sc(-c2ccc(C)cc2)nc1C	727650559	MLINVJSTWUMPLU-UHFFFAOYSA-N	313.426	3.677	50	20	DHGD	
N#C/C(=C/c1cccnc1Cl)c1nc(-c2ccccc2)no1	728699706	IXESPEGQGWVBLP-LCYFTJDESA-N	308.728	3.849	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCC(C(C)C)CC1	729633440	NUVHQVYXYWAWFV-UHFFFAOYSA-N	312.417	3.575	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccc(O)c(Cl)c1	734094844	WEDWZWNUTCKVSZ-NDBYEHHHSA-N	318.804	3.588	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2ncccc2C(F)(F)F)c1	740100432	NGNBHQSRVJBKTJ-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1nccc2ccccc12)c1ccccc1	740765866	YLYGFHBOJFMYHR-DTQAZKPQSA-N	313.360	3.805	50	20	DHGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)c1nnc2n1CCCCC2	741840322	PBHPWKDQCCBTOL-JLHYYAGUSA-N	322.343	3.954	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1ccc(C)cc1	749193013	HGKDWCRLOVQKRO-HNNXBMFYSA-N	318.804	3.949	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1O)c1cc2ccccc2o1	753166829	PTQHIIWMIPKKNL-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)c1c[nH]c2ccccc12	755486757	AJMDUEITLLKWKN-GDBMZVCRSA-N	303.365	3.687	50	20	DHGD	
CC[C@H](C[C@@H](C)CO)NC(=O)CCCC[C@@H]1CCSS1	759561248	WUSQHTPWGWKWMM-MGPQQGTHSA-N	319.536	3.614	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(C#N)c(C)c2)cc1	766489482	CNXOIIWAXHYXNL-ZDLGFXPLSA-N	322.389	3.514	50	20	DHGD	
CN(CCc1cccs1)C(=O)[C@@H](Br)C(C)(C)C	768202412	WKYVUFADFYLPDK-LLVKDONJSA-N	318.280	3.559	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1ccccc1Cl	769960717	QCOYVPARSHAVHI-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)OC[C@@H](C)CBr	770417782	KHLZNBRBCMZLDI-XQQFMLRXSA-N	321.255	3.546	50	20	DHGD	
CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)c1cccc2ncccc12	773208905	SQSAQZROMXFJBC-PBHICJAKSA-N	307.397	3.943	50	20	DHGD	
C[C@H](C(=O)NNc1ccccn1)c1c(Cl)cccc1Cl	777472274	DJKPQAXDKMGCCD-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2F)s1	777872746	YNMAWOABQXTRHI-IZZDOVSWSA-N	316.313	3.894	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2cc(Cl)ccn2)cc1	778449994	NUBIEYMOSNYGAT-UHFFFAOYSA-N	321.833	3.669	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1OC(F)(F)F)C(C)(C)C	779216386	GIHAVKBOIIEVQU-VIFPVBQESA-N	304.312	3.711	50	20	DHGD	
CCN(Cc1cccs1)C(=O)[C@@H](Br)C(C)(C)C	781073328	GMROCPLPQPUTQA-LLVKDONJSA-N	318.280	3.906	50	20	DHGD	
CC[C@@H](C#N)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	781129994	USMGXIOHYIRZFP-KZRVJCNKSA-N	313.401	3.513	50	20	DHGD	
O=C(NN=Cc1ccc(Sc2ccccc2)cc1)C(F)F	782236107	RPTLEOFSNDMQRG-UHFFFAOYSA-N	306.337	3.553	50	20	DHGD	
CCN(CCc1ccccc1)C(=O)/C(C#N)=C/c1ccc(F)cc1	785186225	TXDLBPABAYLTSV-NBVRZTHBSA-N	322.383	3.824	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	793481473	JPPRRDKXQADOCD-YJBOKZPZSA-N	304.434	3.544	50	20	DHGD	
CCCN(N=Cc1cccc(OCC)c1O)C(=O)OC(C)(C)C	794995403	IOZAWBPTMKEXDS-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](c2cccnc2)C(C)C)c(C)c1	797949474	UKJIAKNVMAMSRB-KRWDZBQOSA-N	311.429	3.890	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1ccc(O)c(Cl)c1	799480513	LZQXQKSAFXFNLI-UHFFFAOYSA-N	316.735	3.587	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802023208	NWPNSEYSINLPTI-NSHDSACASA-N	323.824	3.709	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2nccc3sccc23)nc1	810406164	WYAYJZLZEUDQLJ-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
CCN(C[C@@H](C)OC)C(=O)CCCC[C@@H]1CCSS1	812777207	ZGZMROJDBQNKDV-CHWSQXEVSA-N	305.509	3.584	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccccc1C(F)(F)F	817011447	UUCPMHAWCGNYLU-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCCONC(=O)NNc1c(Cl)cc(Cl)cc1Cl	828221891	BCOJJBUMJIICPR-UHFFFAOYSA-N	312.584	3.615	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C1CCC2(CC1)CC2	831755949	WZNVSSJCEAKTTD-UHFFFAOYSA-N	309.413	3.957	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(/C#N)C(=O)NCC(C)C	834412644	MRGYSDDHUWZBSC-MFOYZWKCSA-N	308.381	3.528	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)[C@@H]1CCCC[C@H]1C	834924221	MUCOMQRQGKPCOC-CXAGYDPISA-N	301.434	3.685	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2ncsc2C(C)C)cc1	836623248	KJJGBUOMRSQEBO-UHFFFAOYSA-N	320.418	3.814	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cncc(OC(C)C)c1	836933612	MCJOATNHUPVVMP-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cccc(CN(C)C)c2)cc1	837053256	BFIHUFUCYUIXAF-UHFFFAOYSA-N	311.429	3.629	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCOc2ccccc2F)cc1	837058123	JTNBBVKFEYVAMM-UHFFFAOYSA-N	316.376	3.861	50	20	DHGD	
Cc1ccc(OCCCC(=O)NCC(Cl)Cl)c(Cl)c1	837649391	MALXUNWJNTUBHU-UHFFFAOYSA-N	324.635	3.727	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C(C)(C)C2CCC(O)CC2)cc1	841441565	XAQQBZODZYMAQG-UHFFFAOYSA-N	318.461	3.830	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1cc(Cl)ccc1O	853283389	NWPIHOQBHFOVOE-LLVKDONJSA-N	306.793	3.898	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(Cl)cc1O	857081594	HBNCSZWDYXQWKL-ZEGGKSINSA-N	318.642	3.870	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H](C)c1c(C)noc1C	885124903	FZDCJRRMRXNJOL-VIFPVBQESA-N	307.781	3.500	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1cc(Br)ccc1F	885148055	VSJPRBMEIOKOEV-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(=O)NCC(C)C)o2)cc1	915987126	UFJQLOGWEAVELM-YBEGLDIGSA-N	308.381	3.934	50	20	DHGD	
CN(N=Cc1ccc(N2CCCCC2)cc1)C(=O)OC(C)(C)C	920381664	VYFOQWVCYZQQEQ-UHFFFAOYSA-N	317.433	3.878	50	20	DHGD	
C[C@]1(COC(=O)C2CCC(F)(F)CC2)C[C@H]1Br	1263537632	VGMUQZAVYWRYPQ-MWLCHTKSSA-N	311.166	3.529	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)cc1)c1ccco1	1330304169	AMQNNKBSACNGAV-UHFFFAOYSA-N	321.174	3.586	50	20	DHGD	
C[C@@H]1CC(CCNC(=O)c2cccc(CCl)c2)C[C@@H](C)O1	1347070320	WUHQZSBDXCYJBA-CHWSQXEVSA-N	309.837	3.749	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccn(C(C)C)n1)c1ccccc1	2088595985	CPQJWYAWXOCJTD-FXFXYLOPSA-N	322.412	3.638	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccc(F)cc3)cc2C1	45970752	JFHOUTYPZPTJMY-JTQLQIEISA-N	304.390	3.769	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1nc(C(F)(F)F)cs1	153042909	HDLFLQWHJXPAFT-UHFFFAOYSA-N	321.368	3.966	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2ccccc2F)cc1	153222593	KGMYKTCQMSCMTI-UHFFFAOYSA-N	304.390	3.760	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1csc(CC(C)C)n1	184317070	HTUDLOXIEUEINO-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)CSc2c(F)cccc21	255237057	SRYVMEBMGXUVIQ-IZZDOVSWSA-N	322.792	3.633	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(F)c2)cc1	255887720	CABVOCDPRQQDOB-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
Cn1nccc1C1=C[C@H]2CC[C@@H](C1)N2/C(=C/C#N)c1ccccc1	283775530	QEUVPZBPLZBTDM-GCLZMCAWSA-N	316.408	3.605	50	20	DHGD	
COc1cc(C=NN(C)C(=O)OC(C)(C)C)ccc1OC(C)C	490753906	KRBLXODJKAETHN-UHFFFAOYSA-N	322.405	3.683	50	20	DHGD	
C[C@H](C1CC1)n1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cn1	490911826	VWHIWLDXYOOCMM-AZZDOICSSA-N	324.359	3.539	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cc(OC)cc(OC)c1	727254779	YODMORZRWXDJIY-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)cc1Cl	729623392	IAQCUORMOWBHKA-KCJUWKMLSA-N	302.205	3.808	50	20	DHGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@@H](C2CC2)C1	737422800	LECPYFAOKWEHIF-TZMCWYRMSA-N	318.392	3.665	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=CC2CCCC2)c1	741838280	RNVHHVIHLRPYLX-UHFFFAOYSA-N	302.418	3.789	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=CC1CCCCCC1	741838367	UNRPOCNUPNBKLI-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
Cc1cc(OC(=O)c2cccc3cnccc23)ccc1[N+](=O)[O-]	745948030	SWZLBCRMJMVPHX-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
Cc1c(NNC(=O)CC2CCCCCC2)cccc1[N+](=O)[O-]	748681746	UUUZLRAGCYPHMY-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
O=C(CC1CCCCCC1)NNC(=O)c1cc2ccccc2o1	750069173	DHHMJBHCYBASHC-UHFFFAOYSA-N	314.385	3.554	50	20	DHGD	
CCC(=NNC(=O)COc1cccc(C)c1)C1CCCCC1	750918612	LPMBYDIOKXQMFA-UHFFFAOYSA-N	302.418	3.836	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccccc2OC2CCCC2)o1	752174098	NYMHMKWUWPJOGW-UHFFFAOYSA-N	312.369	3.673	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)CNc2ccccc2)c2ccccc21	752720016	YTNOKEBQHLTREE-AWEZNQCLSA-N	307.397	3.516	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1cc(Cl)ccc1Cl	753700977	PQAKODLVDMKPLV-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2C[C@H]2c2ccccc2)cc1	755660372	BBGYAEQOPORCNP-MJGOQNOKSA-N	322.408	3.534	50	20	DHGD	
CCCC1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCC1	759118841	DUBCNSPAKBJDIC-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCN(C2CCCCC2)CC1	767038403	NBFZHQCCGRXJHF-VXLYETTFSA-N	313.420	3.640	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(F)cn1	770604622	CKNOEOYMGRRWFC-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
Cc1ccc(C#N)cc1NC(=O)NNc1c(F)cccc1Cl	771134291	APFBTEDUTDUQEN-UHFFFAOYSA-N	318.739	3.808	50	20	DHGD	
CN(C)C(=O)NN=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	776765734	BQBHXBGKNUKMCG-GFCCVEGCSA-N	313.323	3.600	50	20	DHGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	777871192	YPAQWENEYZZRFP-ZYTLPXSGSA-N	300.377	3.736	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)ccc2Cl)ccc1O	779535726	DLSGRSJUCKXMQU-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(Oc2ccccc2)o1	779752313	LQVUZRCKLJKDPX-UHFFFAOYSA-N	302.330	3.931	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1ccc(-c2ccccc2F)s1	782233658	AHMCUOMSGPESMU-UHFFFAOYSA-N	312.316	3.660	50	20	DHGD	
Cc1cnc(Cl)c(NC(=O)NNc2c(C)cccc2F)c1	787458370	ODEBJJLETUQSPE-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
CCCNC(=O)NN=C[C@H](C)c1ccc(C(F)(F)F)cc1	789000739	PDBVPSGUJADSHR-JTQLQIEISA-N	301.312	3.504	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	794870602	WBQOHMUANQQOHP-LCYFTJDESA-N	304.353	3.735	50	20	DHGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1ccc2ncccc2c1	794885667	VEPVKGOFYMYGKY-ZDLGFXPLSA-N	309.328	3.896	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H](C2CCC2)C1	795291577	ZTNDDAVMZKCKRM-MRXNPFEDSA-N	313.558	3.757	50	20	DHGD	
C=C(CBr)COC(=O)C(C)(C)c1ccc(F)cc1	795491063	MMTCYXPXTQNQPZ-UHFFFAOYSA-N	315.182	3.598	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cn(C(C)C)nc2C)c1	798345694	YNCLTBODTWNFIS-NVNXTCNLSA-N	309.369	3.571	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccccc1N(C)C	799384402	KKRXILDLHGBMIE-UHFFFAOYSA-N	312.417	3.772	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CCC[C@H]4C[C@@H]34)n[nH]2)cc1	800814457	OXUBABUVYPJFSM-LSDHHAIUSA-N	322.412	3.545	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNC(=O)Nc1ccc(C)cc1Cl	803195775	OYZHKCOZXXBHIG-SNVBAGLBSA-N	311.813	3.627	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1nnc(-c2ccccc2)o1	807966988	VGQZYGIQIIBUMI-LBPRGKRZSA-N	314.389	3.669	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccnc(C(F)(F)F)c1	809576588	OBMZEYQTSZXLGA-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CC(C(F)(F)F)C1	816281289	JSMVHUQHBZDVRE-SNVBAGLBSA-N	313.410	3.721	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3ccc(C)cc3[nH]2)cc1	817911784	UAGAXMYAYAGWAP-UHFFFAOYSA-N	309.369	3.632	50	20	DHGD	
COC1CCC(NC(=O)CCCC[C@H]2CCSS2)CC1	837948964	DQQOXNDIFJEIAV-RUXDESIVSA-N	317.520	3.774	50	20	DHGD	
CC(C)Oc1ncccc1C(=O)NNc1ccc(C(C)C)cc1	839788179	AJNDPHVGZSEESW-UHFFFAOYSA-N	313.401	3.749	50	20	DHGD	
COc1cccc(C(C)(C)C(=O)NNc2ccc(C)c(F)c2)c1	869296085	GCUHAFMKMWALHW-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OC/C=C\Cl)c1C	916618865	VYTOHTSLHXOORH-FTCYSGNISA-N	306.793	3.718	50	20	DHGD	
CCCn1cccc1C=NNC(=O)c1cc(C)nc2ccccc12	918153553	GCTCDUUTBZTSIL-UHFFFAOYSA-N	320.396	3.519	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1cccc2c1CCCC2	1319386208	GNWUSOCAMIFTDA-UHFFFAOYSA-N	324.424	3.866	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	1319797970	AOCGOIHSUBZSQX-MHWRWJLKSA-N	322.320	3.754	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(C)c(Cl)c2)CCO1	1342019700	QXZOBDUMCXEYMX-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNc1ccccc1C(=O)O	1605264574	BNDBQOWUZXVUEO-ZDUSSCGKSA-N	306.406	3.825	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(C(=O)O)c(F)c1	1607453076	VTAWIFNTGHNXEU-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
CC[C@@H](NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1	112543006	XKYGOPWZMQSKFA-OAHLLOKOSA-N	320.339	3.674	50	20	DHGD	
C[C@H](CC(=O)NNc1ncccc1Cl)c1ccc(F)cc1	114882529	DNWZKKBCQWBIAS-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cccc3c2OCCCO3)sc1C	125390006	JBIKXRXNSODBNY-ZROIWOOFSA-N	312.394	3.985	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1CCC[C@H](C(F)(F)F)C1	154749873	VZUCEWHNQACDQR-UWVGGRQHSA-N	304.287	3.638	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CCCc3sccc32)c1	158941335	YRQBQRRVADRKRE-AWEZNQCLSA-N	300.427	3.928	50	20	DHGD	
CCCCC[C@H](NC(=O)NNC(=O)c1ccc(C)o1)C(C)(C)C	177294152	XPVBPAWTJPNPEY-AWEZNQCLSA-N	323.437	3.527	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(C)ccc1F)c1ccc(F)cc1	177365718	VDGLDRFIYSWUIZ-ZRDIBKRKSA-N	302.324	3.820	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc(Cl)ccc1F	178516739	HVQKXUHTRLEHEU-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CS[C@H](C(=O)NNc1ccc(F)cc1C)c1ccccc1	179013333	PCFBTBLPHWSXCC-HNNXBMFYSA-N	304.390	3.682	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	182070896	LCOYIIUISWRSSS-RERGGYADSA-N	324.355	3.619	50	20	DHGD	
CCCCOc1ccccc1NS(=O)(=O)CCCCCl	190742348	RCOOOXROXUVRSC-UHFFFAOYSA-N	319.854	3.626	50	20	DHGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NCC(Cl)Cl	297178897	UISJFPIGYKBJGO-UHFFFAOYSA-N	305.592	3.663	50	20	DHGD	
C[C@H]1C[C@H](N2CCCC2)CN1CCO[Si](C)(C)C(C)(C)C	367362381	WXARMJYPTQEZIC-HOTGVXAUSA-N	312.574	3.567	50	20	DHGD	
Cc1[nH]c2ccc(F)cc2c1C=NN(C)C(=O)OC(C)(C)C	494994670	WZRZPGXLCPMZAG-UHFFFAOYSA-N	305.353	3.816	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1C	726876214	KPEWGLBMEXNUTF-NTEUORMPSA-N	318.380	3.791	50	20	DHGD	
CCCN(C(=O)NNC(=O)C(C)(C)C)[C@H](CC)c1ccccc1	731499325	NNNFQTOIOBKURM-OAHLLOKOSA-N	319.449	3.637	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)c2cnn(-c3ccccc3)c2)C1	734979096	JLPZMOKILUEZAW-CQSZACIVSA-N	310.401	3.558	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(CC1CC1)c1ccccc1	735972083	KWXFORGTVSTKCU-UHFFFAOYSA-N	322.408	3.558	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)Nc1ccc(N(C)C)cc1	741767095	MYZFWNPNMQIWKV-UHFFFAOYSA-N	316.430	3.554	50	20	DHGD	
CCCN(CC(C)(C)O)C(=O)CCCC[C@H]1CCSS1	747414936	LGZIJXMTKZXPNV-ZDUSSCGKSA-N	319.536	3.710	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@H]2C(C)C)o1	747754208	REMIEBBYDJQFHF-HNNXBMFYSA-N	319.449	3.663	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccc(F)cc1Br	748074224	UQRXABICPLMCJI-VQHVLOKHSA-N	315.186	3.778	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	749473451	GQLOPNCVGGSUIN-ZDUSSCGKSA-N	316.401	3.800	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)nc1)c1ccc(Cl)s1	750238160	DXACKIHPLWZPAP-ZETCQYMHSA-N	316.213	3.697	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1cc(Cl)cs1	760838962	RFYYVHAUGLYFIK-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Cc1ccc(C=NNC(=O)Nc2ccc(C)cc2Cl)nc1	761812721	NQBXZUJRUXYDDT-UHFFFAOYSA-N	302.765	3.507	50	20	DHGD	
CC#CCCOC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	765397202	XYOUSXVEEGCHEG-WQRHYEAKSA-N	312.413	3.625	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1cccnc1Cl	771611996	KZGPAQZYNURQJY-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1coc(C2CC2)n1	776864959	OSSDWKSNWGELOO-UHFFFAOYSA-N	324.292	3.833	50	20	DHGD	
CCCC1(C(=O)NNc2ccccc2OC(F)(F)F)CC1	779200484	GORNWGNIDSNACU-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)C1CCCC1	781554781	VXPNGUVMLGJKBN-OQLLNIDSSA-N	309.344	3.678	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCCCc1cccc(F)c1	785352234	VIGQSSOSYNRECJ-SFQUDFHCSA-N	309.340	3.909	50	20	DHGD	
COc1cc(NNC(=O)c2cc(C)cc(C)c2)ccc1Cl	790179782	ACTIEYKMBVHBLF-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	797316378	UUFDGHJRKDZRPZ-NTMALXAHSA-N	304.802	3.988	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@](C)(OC)c1ccccc1	799756641	GESPENLYMBPSNC-LJQANCHMSA-N	312.413	3.562	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](F)Cc1ccccc1	799757199	YGKOFZPNFZVBDV-MRXNPFEDSA-N	300.377	3.581	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccc(Br)c(F)c1	800538934	HPPBFESLYNWLKE-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
CC(C)COc1ccc(CC(=O)N(C)CC(Cl)Cl)cc1	808246304	AMCXGJLCKZBUAX-UHFFFAOYSA-N	318.244	3.526	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1cc(OC)cc(OC)c1	814737884	NUGOTZQIGWPASO-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1ccccc1Br	827175607	BMXCTOUEZADEQM-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
COc1ccnc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1	852522788	PLWVJZDNOKMYJH-INIZCTEOSA-N	322.525	3.686	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1F	916285914	PJPOKKAYTQTCFK-UHFFFAOYSA-N	313.307	3.600	50	20	DHGD	
CCC1CCC(=NNC(=O)[C@H](C)Oc2ccc(F)cc2)CC1	916340428	UJESMYKCBUAPRV-UEWDXFNNSA-N	306.381	3.665	50	20	DHGD	
Cc1cc(OC(=O)c2cc3ccccc3n2C)ccc1[N+](=O)[O-]	917614919	DHNQLWQXBLZAEG-UHFFFAOYSA-N	310.309	3.614	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1ccc(-c2ccc(Cl)cc2)o1	920829488	QWHBMKSENXYMDE-UHFFFAOYSA-N	317.776	3.643	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CCCC(F)(F)C2)ccc1Cl	928339707	IFVCJNDORWWHCR-JTQLQIEISA-N	302.752	3.917	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)s1)c1nc(N)c2ccccc2n1	1337360518	HPRPNKNQNLYLGF-CLFYSBASSA-N	312.785	3.991	50	20	DHGD	
O=C1CCCc2ccc(NC(=O)C3CCC(Cl)CC3)cc21	1349286757	AEHRDRLZFFBWKB-UHFFFAOYSA-N	305.805	3.942	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	1776044879	FEDCLMANBJZMBT-UHFFFAOYSA-N	317.389	3.709	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045024	HJRYGIJNMZDXRZ-AWEZNQCLSA-N	317.389	3.709	50	20	DHGD	
COCCOC(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	28495674	RTTMLWUZHCECDQ-FOWTUZBSSA-N	323.348	3.575	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ccc(F)cc2)c1	44999642	HWKZSGLBTQJBQZ-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc2ccc(Cl)cc2[nH]1	46334119	KRULLTWXGDRBMS-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cncc(-c3ccccc3)c2)c1	150784597	ZNIWMICRDGUKIH-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	152147813	VPORQZDIXSEBSL-BJMVGYQFSA-N	316.710	3.790	50	20	DHGD	
CC[C@@H](NC[C@@H](C)CBr)c1ccc(OC)cc1	152763522	PDLAJXBSYWQBHF-SMDDNHRTSA-N	300.240	3.767	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cc(F)cc(OC)c2)cc1	152964907	VUJWPIIDMUEPKJ-UHFFFAOYSA-N	303.337	3.545	50	20	DHGD	
COc1cccc(COc2cccc(NC=C(C#N)C#N)c2C)c1	157340974	AVQJOVHCAPKSIB-UHFFFAOYSA-N	319.364	3.926	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1nc2ccccc2s1	170703026	LALJPWDNKWQNMN-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1c[nH]c2ccccc12	175319570	WMHWEWFCUHMGNR-VZUCSPMQSA-N	324.286	3.942	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1sccc1-n1cccc1	184305760	LLTGCRGMNRTZJC-UHFFFAOYSA-N	315.373	3.743	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2ccccc2F)s1	187074001	NWOCOCKAYHQOEX-UHFFFAOYSA-N	315.373	3.948	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(C(F)(F)F)c(F)c2)c1	189597026	FMBIAKTWCWLVEM-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc2c(cc1OC(F)F)OCO2	266017891	OBHXZTPSTAPJAN-VMDVGJCFSA-N	323.295	3.539	50	20	DHGD	
ClCCCOc1ccc(CN2CCC[C@@H]2c2ncc[nH]2)cc1	367960415	ZGVZVZUHKOGRNB-MRXNPFEDSA-N	319.836	3.755	50	20	DHGD	
O=C(/C=C/c1cccnc1)NNc1cc(Cl)ccc1Cl	493793402	QWHNOMRXEAGVRA-ZZXKWVIFSA-N	308.168	3.545	50	20	DHGD	
Cc1cc(OC(=O)Cn2c(C)cc3ccccc32)ccc1[N+](=O)[O-]	728189545	MSHRQTBOZOYLEH-UHFFFAOYSA-N	324.336	3.772	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CC[C@H](C)CC2)cc1	731022144	WTJPDWWEHUYEHH-VZDPKHFSSA-N	312.413	3.687	50	20	DHGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)C1CCCC1	731486585	PAZNMDMFMCWAFI-UHFFFAOYSA-N	316.735	3.582	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCCc2ccc(C)cc2)cc1	735396466	CZCYCUJAROMVHL-AQTBWJFISA-N	321.376	3.697	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1cnn(C)c1)=C/c1ccccc1	735411031	IBQWHYCQKMDQTR-XTUVWNMISA-N	324.428	3.800	50	20	DHGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1)c1ccc(O)cc1	735608433	ALJQSQWEMNDHKB-INIZCTEOSA-N	308.381	3.521	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ncccc1C(F)(F)F	740097221	KYOAHPOIVBUXNK-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
O=C(NN=CC1CCCCCC1)c1cccc(OC(F)F)c1	741841937	HHOJSHDICYTEFN-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1O	749260964	WXHNFMSNZPPHIL-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
CCc1ccc(CCOC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	754547262	SBTKGDGMJRVUNY-AQTBWJFISA-N	321.376	3.647	50	20	DHGD	
CN(N=C1CCC(c2cccc(C(F)(F)F)c2)CC1)C(N)=O	761828159	NJKSHGCLJFNBJB-UHFFFAOYSA-N	313.323	3.730	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(-c3ccc(F)cc3)s2)CC1	767159457	DIEPWMCOBRGEAL-UHFFFAOYSA-N	312.369	3.850	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2cccc(OC(F)F)c2)[C@@H]1C	781122187	LORQEASDKZRVPB-GHMZBOCLSA-N	310.344	3.830	50	20	DHGD	
Cc1sc(CC(=O)NNc2ccccc2Cl)nc1C(C)C	789996314	NOHLZAPARCCEKO-UHFFFAOYSA-N	323.849	3.914	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCC3(CC2)CC3)c1	792627173	JGNKZVBBYUGYTN-UHFFFAOYSA-N	300.402	3.509	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC=C(C)C2)c1C	798087535	KEXZPJVNNJANHS-WOJGMQOQSA-N	311.429	3.601	50	20	DHGD	
C[C@H](Cn1ccc2ccccc21)C(=O)NNc1cccc(F)c1	802825072	JONUOROZRNRWQD-CYBMUJFWSA-N	311.360	3.560	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(C(F)(F)F)s2)cc1	806787442	HBLQXNTZLKKXKN-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cncc(C(F)(F)F)c1	809731244	ROCQKKMQDROSRS-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
COc1ccc(O)c(C(=O)NNc2c(C)cccc2C(C)C)c1	812765672	QZSOKWBSVMVHNY-UHFFFAOYSA-N	314.385	3.590	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@@H](C)C2CCCCC2)cc1OC	814700588	XXLOLCVRDHACHR-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CC[C@@H]1C1CC1	814747640	CHPYDYDNCDFTDB-SCLBCKFNSA-N	322.408	3.899	50	20	DHGD	
CC[C@H]1CCC[C@H](C=NNC(=O)CSc2ccccc2O)C1	814968758	DKDHUPDQEQMKQG-KBPBESRZSA-N	320.458	3.803	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cccc(Cl)c2)cc1	814999527	ZUGDTLLKQWUDTN-UHFFFAOYSA-N	303.749	3.504	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(N)cc1C	815004758	MUCPDRKFOLHEDL-UHFFFAOYSA-N	316.792	3.776	50	20	DHGD	
C[C@H]1CCc2c(C(=O)N(C)CC(Cl)Cl)csc2C1	816629728	YMJOZEIEOQXPBW-QMMMGPOBSA-N	306.258	3.749	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(F)cc1	834421041	NWHVKOUUFKMROB-ZMTLZGASSA-N	311.360	3.748	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1CC[C@@H](C)C1	840547910	WYAXABXQKISIRU-MNOVXSKESA-N	310.829	3.523	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1cc(C#N)ccc1Br	855617242	SCXSTRZXVNIOGI-UHFFFAOYSA-N	324.222	3.590	50	20	DHGD	
CCc1cccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)c1	856811932	PJQCGGQEKCGIMY-TZMCWYRMSA-N	311.223	3.544	50	20	DHGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)CC(C)C)cc1OC	864366127	KWOKNGGNKBFMFQ-WUXMJOGZSA-N	307.777	3.879	50	20	DHGD	
CCc1onc(C)c1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	899339085	UVOKAYKHXSUQRY-ZROIWOOFSA-N	309.369	3.708	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C2[C@H]3CCC[C@H]23)C1	912579939	KMBUOZHMNLSEIT-RDBSUJKOSA-N	309.526	3.655	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)c1ccc(Cl)nc1	920375517	VMTAPOWTLZGFGP-UHFFFAOYSA-N	315.804	3.782	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccc2c(c1)oc1ccccc12	1322798774	CXPMCMVPAKGMPB-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(C(C)(C)C)nn1	1322918628	QQXBYXSTMNYYGS-UHFFFAOYSA-N	316.405	3.556	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cccn2C2CC2)n1	1326045157	FOWVBEMIMYDAER-FLIBITNWSA-N	313.382	3.520	50	20	DHGD	
C[C@H](OC1CCCCC1)C(=O)NNc1cccc(F)c1Cl	1329273955	MFXKXSGOCSDWJP-JTQLQIEISA-N	314.788	3.660	50	20	DHGD	
COCCN(Cc1ccc(C)o1)C(=O)c1cccc(CCl)c1	1338903119	RXDWUUXSLDCLGO-UHFFFAOYSA-N	321.804	3.616	50	20	DHGD	
Cc1ccc(/C=C/CC(=O)NNc2cccc(C(=O)O)c2C)cc1	1607767848	YUXWSYVXGYGQJI-HWKANZROSA-N	324.380	3.548	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)o1	1777477212	JMKAMTOPHYXNOQ-YMVJEYMASA-N	313.334	3.537	50	20	DHGD	
COc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1C	67980205	RZMMNEXSNUIEBR-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
Cc1ccc(-c2ccsc2C(=O)NNC(=O)C(C)(C)C)cc1	73558407	OKILPBJYEUZDPH-UHFFFAOYSA-N	316.426	3.531	50	20	DHGD	
O=C(CCCc1cccs1)NNc1ccnc2ccccc12	106923617	DUUFTLKYVINPQZ-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c1	116609286	UYKIIJCUCJSFGA-AUWJEWJLSA-N	309.296	3.653	50	20	DHGD	
O=C(CCc1ccoc1)NNc1c(Cl)cc(F)cc1Cl	124438307	FOEATGIKVCDURE-UHFFFAOYSA-N	317.147	3.801	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1)C(=O)c1cc2ccccc2o1	126327075	UDMKTWQLRPXQGX-DHDCSXOGSA-N	317.300	3.921	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)NNc1cc(C)cc(C)c1	126564663	KSMYWVLYZQPDGD-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc2c1CCC2	171568600	WXYUUEKHJOPQLN-UHFFFAOYSA-N	320.314	3.951	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)c1	175228891	NNEMWHZXODDCEZ-UYAOXDASSA-N	306.409	3.732	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	177611632	QASINFVQEKPJIM-UXBLZVDNSA-N	304.396	3.730	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ncc(Cc2ccccc2)s1	194748415	WBUMEUUXBOZKEX-UHFFFAOYSA-N	324.409	3.883	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)cc(C)c1	207710624	AHDCDKGOEPOWRD-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)cc1)NNc1ccc(F)cc1F	255439427	ANCVFEQBSMSCLM-BAQGIRSFSA-N	308.715	3.775	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	490842323	LCOYIIUISWRSSS-XDUBLRSXSA-N	324.355	3.619	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(CSC(F)F)o1	728431307	QGDVQELWSYTYQE-UHFFFAOYSA-N	304.362	3.622	50	20	DHGD	
Cc1cccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1C	731150984	KNRAMRNWJONYDO-KRWDZBQOSA-N	324.424	3.838	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1ccc(O)c(Cl)c1	734095955	CSIQKKJWIASIOJ-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)[C@@H](CC2CCCCC2)C(C)C)n1	734422409	VRQPUNWWRQRNBZ-INIZCTEOSA-N	318.465	3.779	50	20	DHGD	
C[C@@H](CNC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	734654516	WZGMOQWCIWFYSJ-JTQLQIEISA-N	323.318	3.534	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CCCCc2ccc(Cl)cc21	735229633	MHJUFWDWJMCQNB-UHFFFAOYSA-N	318.726	3.839	50	20	DHGD	
C=CCC(=NNC(=O)c1ccccc1OC)c1ccc(F)cc1	735615308	LLQMETNUPXYHAV-UHFFFAOYSA-N	312.344	3.545	50	20	DHGD	
CC[C@H](C)[C@](C)(O)CNC(=O)CCCC[C@@H]1CCSS1	743480471	GBCULMBVHQWOHX-GZBFAFLISA-N	319.536	3.614	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@@H]2CCCC[C@@H]2C)c(C)c1	743765207	YXQMHLWHEIEHBT-XJKSGUPXSA-N	304.434	3.650	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccc(Cl)nc1	743817848	HIMUJQFGFFTCJK-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(C)cc(C)c2)c(Cl)c1	748362408	KQORONJVFGMZSW-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1ccc(OC(F)F)cc1	748643759	OSNSPOXUIZWWGM-LLVKDONJSA-N	300.349	3.948	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1(C)CCC1	753176280	QQRDMMDRINGBAA-UHFFFAOYSA-N	311.223	3.645	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@H]1CCc2ccccc21	755697310	IOGRRJNBPAPKKE-GOSISDBHSA-N	306.409	3.841	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2cccc([N+](=O)[O-])c2)c(C)c1	769923419	MVUSJMPFTGTVGA-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
CC[C@@H](C(=O)OC[C@@H](C)CBr)c1ccc(F)cc1	770419817	XOMOOEWVFJJRQO-GXFFZTMASA-N	317.198	3.894	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)c(C(F)(F)F)o1	771123914	LLGOLLXNKDHTEZ-UHFFFAOYSA-N	302.227	3.503	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)c1cccc(C(F)(F)F)c1	782369122	KWJRQOMWRWEXRU-BJMVGYQFSA-N	308.284	3.952	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1cccc(C(F)(F)F)c1)C(F)F	789038083	UJXHZFPKZMRYTA-SNVBAGLBSA-N	320.261	3.710	50	20	DHGD	
Cc1csc(CC(=O)NN=C[C@@H](c2ccccc2)C(C)C)n1	794488546	OZVYNYBKMDBBOR-OAHLLOKOSA-N	315.442	3.536	50	20	DHGD	
CCCN(N=Cc1ccc(OC)c(F)c1)C(=O)OC(C)(C)C	794996576	IZUJHTQPKYYSSQ-UHFFFAOYSA-N	310.369	3.815	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1c(Cl)ccc2c1CCO2	797667224	AIVJKUAICOAVRO-UHFFFAOYSA-N	321.739	3.563	50	20	DHGD	
Cc1ccc2c(C(=O)NNc3cccc(F)n3)csc2c1	804768491	FPMVPJPMXRKGFI-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
Cc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2Cl)nc1	814996143	SXGWYMRZHSSDLA-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
O=C(CCCc1cccnc1)NNc1cccc(C(F)(F)F)c1	830762436	PKRDCUNXBORANZ-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
COc1cc(NNC(=O)[C@@H]2CCCCC2(F)F)ccc1Cl	830804272	YRQCTUIGCUKLPE-JTQLQIEISA-N	318.751	3.617	50	20	DHGD	
Cc1nc([C@H](C)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n[nH]1	844338043	WQVRHTSEPMDNOF-GXTWGEPZSA-N	324.545	3.660	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2nc3ccccc3n2C)cc1	848379470	JYRNOEQVYMLMKG-ZDUSSCGKSA-N	322.412	3.844	50	20	DHGD	
CCC[C@H](C(=O)NNc1cc(Cl)ccc1F)c1ccccn1	871271782	YSHWMYOSARDLDL-LBPRGKRZSA-N	321.783	3.901	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)Oc2ccc(Cl)cc2)cc1	912596469	LEEIDIQLSIXWBE-UHFFFAOYSA-N	318.804	3.949	50	20	DHGD	
Cc1ccccc1NCCC(=O)NNc1ccccc1Cl	912643169	FKKQLJGJSYJAGK-UHFFFAOYSA-N	303.793	3.594	50	20	DHGD	
COc1ccc(-c2nc(/C=C(/C#N)C(=O)C(C)C)cs2)cc1	915989954	HFMBIHWVOHLVMP-JYRVWZFOSA-N	312.394	3.951	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(c2cccnc2)CC1	1521293346	BJPYOFFEBHGJLY-UHFFFAOYSA-N	306.837	3.585	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)O)c(Cl)c1	1605010245	GXJDBPOUXDLSDR-GHXNOFRVSA-N	305.761	3.950	50	20	DHGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045230	HAJXUVGFTHXGNY-OLZOCXBDSA-N	317.389	3.709	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776751331	QJVVALUDJQWQSW-BVBCSLMJSA-N	307.296	3.575	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)c1C	13343501	KHJZTCODHYXNTR-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)c1	44023622	BKNLDTWFIVQXMO-RVDMUPIBSA-N	322.364	3.640	50	20	DHGD	
Cn1cccc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	68734857	SGSDJJHPOVQCJA-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
C[C@H](CC(=O)NNc1cccnc1Cl)c1cccc(F)c1	85681597	YJPBEDMBBIFSSB-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1ccc(Cl)cc1	120202811	SQSIPVZCAGELPB-UHFFFAOYSA-N	302.761	3.662	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1ncccc1Cl	131776038	LKGWKDMWRRZPFE-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc3c2CCCC3)cc(Cl)n1	132714623	LOUWUEBNFCMLEG-UHFFFAOYSA-N	315.804	3.679	50	20	DHGD	
Cc1cc(OC(F)F)c(C(=O)NNc2ccccc2F)s1	153276862	MTCITLUZXKDDAF-UHFFFAOYSA-N	316.304	3.554	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(F)cc1C(F)(F)F	154307739	HCIZYQKDYQECSM-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2ccc(C(F)(F)F)cc2)cc1	164845008	BPRPZSYFHGKPDH-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2ccc(Br)cc2)c1	175220133	KRAJJQQCAJTAOT-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnn(CC(C)C)c2)c1C	180712552	YDNHXBGCKCDURH-CAOOACKPSA-N	307.397	3.946	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2cc(F)ccc2o1	181077860	DNVKLVQETSEGJZ-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2c(C)cccc2CC)CCO1	281694178	GIHRSFRXUSJROM-HOTGVXAUSA-N	304.434	3.596	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(Cl)cc1F	490907562	HSCQIZVNULMDOV-XFFZJAGNSA-N	316.719	3.730	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1ccc(C(F)(F)F)cc1	492430727	YTMQWDRJJHBZQC-UQCOIBPSSA-N	321.302	3.565	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C	588470236	NDIHBLYYIFADCB-ZDSWQNORSA-N	312.413	3.506	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(C)c1	728786218	VJEYKQKCEPXPSF-XNTDXEJSSA-N	309.369	3.635	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(Br)cc1)C(C)C	729517917	ZNWRLJCUKOKTBG-LLVKDONJSA-N	313.239	3.965	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)c1ccc(CC)cc1	735244564	FWUQILLQHPAISL-OAHLLOKOSA-N	304.434	3.617	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)Cc2ccccc2F)ccc1[N+](=O)[O-]	737483380	JFTJBUYQZZDCTR-GFCCVEGCSA-N	317.316	3.827	50	20	DHGD	
O=C(NN=C(CC(F)(F)F)c1ccccc1)NC1CCCC1	743531164	HYCOZUAMSRJQDA-UHFFFAOYSA-N	313.323	3.585	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc2ccc(Cl)cc2[nH]1	743816322	PUZGWUPXUAYDPA-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NNc1cccc2c1CCCC2	748588364	KPBIDFMZGLIAQI-UHFFFAOYSA-N	319.408	3.663	50	20	DHGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@H]1C	750895487	ICOVSXLUKNWFIU-FLCBXXLXSA-N	300.377	3.736	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CC1	751529076	ONNPPDUELCYNMG-UHFFFAOYSA-N	324.428	3.948	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CC(C)C2)c(C)n1CC(C)C	752700467	BNJWNQKCBJURLW-MFOYZWKCSA-N	313.445	3.583	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1nc(C(C)C)n2ccccc12	755586992	PTWULCUNLVJHHS-UHFFFAOYSA-N	320.396	3.530	50	20	DHGD	
Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)c(O)n1	756237202	FCTBUWFXMJJWCY-LLVKDONJSA-N	312.460	3.748	50	20	DHGD	
N#C/C(=C/c1ccc(OCC(F)(F)F)c(F)c1)c1ccncn1	758910141	DSQBOOXHVZIRMK-WZUFQYTHSA-N	323.249	3.621	50	20	DHGD	
Cc1cc(C=NNC(=O)CCCc2ccccc2)c(C)s1	760249629	XZNKPMGYTNXTEW-UHFFFAOYSA-N	300.427	3.838	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NNc1cccc(Cl)c1	767027741	ZWUOVNMDMIUQHO-JTQLQIEISA-N	319.630	3.593	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1nc2ccccc2[nH]1	768499533	IRFDZOVRCPPDGB-UHFFFAOYSA-N	300.387	3.505	50	20	DHGD	
C[C@@H](CBr)CN1CCc2cc(F)ccc2[C@H]1C	770654191	PYCYLOIUXUUZKC-WDEREUQCSA-N	300.215	3.776	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)cc1C	771529784	JHYYYYNEBCWFKG-WJDWOHSUSA-N	319.360	3.865	50	20	DHGD	
Cc1cc(C)c(/C=C/C(=O)NNc2nccnc2C(C)C)cc1C	772817553	XNZMMJFKWUONIX-VOTSOKGWSA-N	324.428	3.682	50	20	DHGD	
CC[C@H](NC=C(C#N)C#N)c1cc(F)cc(Br)c1	776722209	NYCZQQSNLUWDLQ-ZDUSSCGKSA-N	308.154	3.560	50	20	DHGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)Nc1ccc(F)cc1	779220686	GQMGVUHGTIVHGN-YBEGLDIGSA-N	317.323	3.920	50	20	DHGD	
C=C(CBr)CN(C)[C@H](C)Cc1ccccc1OC	791469842	CMKGXGKWFPNTGN-CYBMUJFWSA-N	312.251	3.509	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CC[C@H](c2ccc(F)cc2)C1	792319938	GJGKTDKHVFEBFC-YOEHRIQHSA-N	313.376	3.788	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc(Br)cc1	795570067	QFQPEJQFDURPNI-AAIQCTMTSA-N	320.186	3.913	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](CC)c1ccc(F)cc1	795591238	KSZLDZZUMKDMGW-ZDUSSCGKSA-N	315.182	3.814	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC[C@H]3C[C@@H]23)cc1	800805354	WPTWDJGPLAIDNV-FUHWJXTLSA-N	321.424	4.000	50	20	DHGD	
CCc1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)ccc1F	804268233	LDYSRRDBKQUIPM-ZROIWOOFSA-N	310.328	3.639	50	20	DHGD	
CCCN(NC(=O)c1occc1C(C)C)C(=O)OC(C)(C)C	804593733	SJUOQXIILFELND-UHFFFAOYSA-N	310.394	3.695	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(COc2ccccc2)cc1	808129040	LICCIQSRMRLBOD-UHFFFAOYSA-N	324.207	3.799	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2ccc(F)cc2F)CCCC1	808130977	LFUFFVHTHOLBNJ-UHFFFAOYSA-N	322.182	3.697	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](C2CCOCC2)C1	808740125	JJRUXDSKIJGLRV-MRXNPFEDSA-N	313.558	3.757	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(N)nc(Cl)c1	812767565	KAFXUDFOIQMLQF-UHFFFAOYSA-N	318.808	3.506	50	20	DHGD	
O=C(COCc1ccccc1)NN=C1CC[C@H](c2ccccc2)C1	814855911	XZGRCBYQBYFLRA-SFHVURJKSA-N	322.408	3.643	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@@H](CC#N)c2ccccc2)cc1	817899622	NVMLGUPVTPPEJD-MRXNPFEDSA-N	323.396	3.616	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC[C@H](c2ccccc2)[C@H](CO)C1	852520843	PHCWQUSKMNXLPY-JYVBIHNMSA-N	318.420	3.649	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ccnc(Cl)c2)cc1	855468200	PAJAVJUSOQEWQN-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
C[C@@H](c1ccc(C(=O)NNc2ccccn2)cc1)C(F)(F)F	857482190	QBJIVXWAQWQDRO-JTQLQIEISA-N	309.291	3.504	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2cccc3ccccc23)c1	857831434	YVRJQAJVOBZLKO-UHFFFAOYSA-N	320.392	3.979	50	20	DHGD	
CCn1ncc(C(=O)NNc2ccc(C(C)C)cc2)c1C1CC1	880230746	OTADFUDTVYGZBD-UHFFFAOYSA-N	312.417	3.661	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	885127306	QHDHQXWWKQRDLN-YPMHNXCESA-N	322.836	3.733	50	20	DHGD	
Cc1ccc(NC(=O)[C@@]2(C)C[C@@H]2Br)c(Cl)c1	905047521	DYRALYFPGWLRBU-JQWIXIFHSA-N	302.599	3.760	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)c1cc2ccccc2o1	916130680	AJMAFMPEJTUCRZ-DHDCSXOGSA-N	317.300	3.921	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc(OC(C)C)cc1	916291124	OUNRJRMZFGDXLP-UHFFFAOYSA-N	314.360	3.767	50	20	DHGD	
CCC(C=NNC(=O)c1ccc(Br)s1)CC	916356833	MTURTOKQSZHQGQ-UHFFFAOYSA-N	303.225	3.662	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(SC(F)(F)F)cc1	920750599	DIPGFZVQSXILSV-UHFFFAOYSA-N	319.352	3.732	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(Cl)c(C)c2)c(C)n1	928339670	HITFBRLJYIAJPU-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2csc(C)c2)c1	1119350041	RJXPEFGFLIWAPJ-CHHVJCJISA-N	313.378	3.716	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)N(C)CC(Cl)Cl)sc2n1	1123791894	ZDLYOTZFBMIOOM-UHFFFAOYSA-N	317.241	3.789	50	20	DHGD	
Cc1c(NC(=O)C2CCC(Cl)CC2)cnn1-c1ccccc1	1263768629	AARRDZAWHGXCBB-UHFFFAOYSA-N	317.820	3.917	50	20	DHGD	
O=C(CCl)Nc1ccc2[nH]c(-c3ccc(F)cc3)nc2c1	1319784784	LQQFFBUOFDIROH-UHFFFAOYSA-N	303.724	3.546	50	20	DHGD	
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CCl)c(C)c1	1319785872	NEEWFJWBYDLDHW-UHFFFAOYSA-N	319.836	3.964	50	20	DHGD	
C#CCCOc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1	1324701117	CKDIKJJFVCKRNA-UHFFFAOYSA-N	322.408	3.771	50	20	DHGD	
C[C@H](Cl)C(=O)N[C@H](C)c1ccc(Oc2cccnc2)c(F)c1	1887504169	AXQRHMAKAPTSLT-WDEREUQCSA-N	322.767	3.818	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	5131309	VFTFNMOKHUOLDT-WOJGMQOQSA-N	320.392	3.697	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C)cc1	6595721	RNYQLSFBBRNDDJ-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)c1ccco1	8200737	FNCCXXNSXHAGPC-XBXARRHUSA-N	308.156	3.893	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@@H](C)CC#N)c1C	113694888	WECLYENSCHCADO-FMNVXAMXSA-N	313.401	3.657	50	20	DHGD	
CCn1nccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	152173323	HCHFUVZMPPHOGK-XFFZJAGNSA-N	324.771	3.828	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccccc1Cl	175487608	HOYFIKIZVJJFDT-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccnc(F)c3)s2)o1	183609190	PDMPHBKXZIXGSV-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
CCCCCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C(C)C	188242812	SJHLINNERDJUDG-VBKFSLOCSA-N	300.402	3.726	50	20	DHGD	
CC(C)CC1(CNS(=O)(=O)CCCCCl)CCCC1	228336545	NNEHACKNWXLRAP-UHFFFAOYSA-N	309.903	3.531	50	20	DHGD	
COc1ccccc1C[C@H](C)N(C)C[C@H](C)CBr	246480720	ADRAAKWQRCGDAE-OLZOCXBDSA-N	314.267	3.589	50	20	DHGD	
ClCCCOc1ccc(CN2CC[C@H]([C@H]3CCOC3)C2)cc1	365651761	RPTZOAKLEACEKA-IRXDYDNUSA-N	323.864	3.553	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)NC1CCCCC1	490701249	WPNNSKBDHCKIIF-UVTDQMKNSA-N	304.340	3.980	50	20	DHGD	
CC(=NN(C)C(=O)OC(C)(C)C)c1cnn(C(C)(C)C)c1C	492509755	NAUPPZBFZHRLPD-UHFFFAOYSA-N	308.426	3.537	50	20	DHGD	
CCCN(N=Cc1cccc(OCC#N)c1)C(=O)OC(C)(C)C	495745783	LOZACFDJANAMLL-UHFFFAOYSA-N	317.389	3.570	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1	732765278	LBLRVONHZZBGLG-XHDPSFHLSA-N	316.788	3.749	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1nccc2sccc12	734249996	MBVDKWLFRVWYJZ-RYUDHWBXSA-N	303.431	3.956	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccc(Cl)nc1	743818332	SXBBBPXOLDHVEC-ZDUSSCGKSA-N	321.833	3.749	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)O)c(C)n1-c1ccc2c(c1)CCC2	744834117	HJKZHMOMOUPFPR-MFOYZWKCSA-N	306.365	3.574	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)cc1	746893502	BPEDPDWMQZHBIH-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)c1ccc(C)o1	752781574	VKZOLPCCHQFWGK-KRWDZBQOSA-N	308.422	3.736	50	20	DHGD	
CC(C)O[C@H]1CC(=NNC(=O)c2cccc(Cl)c2)C1(C)C	764895060	SYYJOXCIAXUJEP-AWEZNQCLSA-N	308.809	3.649	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CC12CCCCC2	768385698	UXECUBXZTRUENI-GHMZBOCLSA-N	302.256	3.635	50	20	DHGD	
C[C@@H](CBr)CN1CCS[C@H](c2ccccc2)C1	770652237	GNBJXQDGQWLJGT-JSGCOSHPSA-N	314.292	3.808	50	20	DHGD	
Cc1ccc(C[C@@H](C)NC(=O)NNc2c(C)cccc2F)s1	771326771	CKEGQNIQBCYXBD-LLVKDONJSA-N	321.421	3.761	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H](C[C@H]2CCOC2)C1	773704062	GLLOMWXFPKKTKS-HQMBXYIKSA-N	314.404	3.829	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cc(F)ccc1Cl	775599754	XKAXCPVMLCVCJI-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	780991966	KLTRIYKZWQKSTI-KTKRTIGZSA-N	311.307	3.767	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccn1C)c1ccc(C(F)(F)F)cc1	788980825	NWYFPIPVFQEYEG-NSHDSACASA-N	323.318	3.563	50	20	DHGD	
Cc1csc(C(=O)NNc2cc(Cl)ccn2)c1Cl	790859743	UIYMWLULDPONEM-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](C)c1ccccc1C(F)(F)F	791219951	BRGIIIMETQLGMT-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1cc(F)ccc1F	799580229	JYGNZBSHTRXEOB-UHFFFAOYSA-N	319.355	3.662	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1csc(C2CC2)n1	799754107	BQUDGTJHCGEOQP-UHFFFAOYSA-N	301.415	3.648	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)ncn3C)cc1C	809160234	KHQSNBGZMSLLGV-MFOYZWKCSA-N	315.376	3.980	50	20	DHGD	
Cc1ccc(CC(=O)NNc2c(C)cccc2C(C)C)cc1O	812768710	CMLFXAWWSPPTAB-UHFFFAOYSA-N	312.413	3.818	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CCCc2ccc(C)cc21	813748073	IOVXSZYXRRAENP-CQSZACIVSA-N	310.488	3.683	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)[C@H](C)CCCCC(=O)O	814688251	QACZNKIYOWHYBB-LLVKDONJSA-N	324.808	3.727	50	20	DHGD	
Cc1ccccc1NNC(=O)C1(c2c(F)cccc2F)CCC1	817423987	DSAPMEPJGYOCSU-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCOc1ccc(NNC(=O)c2c(C)[nH]c3ccccc23)cc1	817889829	NCHBWKXWBMUOAL-UHFFFAOYSA-N	309.369	3.632	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)c(F)c2F)c(C(C)C)n1	827511634	WFJRKPIKYHSGGK-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)c1csnn1	836095281	HCWZFGLVOZVTSH-UWVGGRQHSA-N	318.489	3.856	50	20	DHGD	
CCC[C@H](NC(=O)NNC(=O)Nc1ccccc1C)C(C)(C)C	836577639	ZUAYBVVIGUUAES-AWEZNQCLSA-N	320.437	3.546	50	20	DHGD	
CCSCc1cc(C(=O)NNc2ccc(C(C)C)cc2)no1	837058456	NEJCETRTZFYSIA-UHFFFAOYSA-N	319.430	3.808	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H](C)c2cncc(F)c2)cc1	838543277	RPNSECQINJVUOB-LBPRGKRZSA-N	316.380	3.731	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2cccc(F)c2Cl)CCO1	862507091	UZOOJSWDEMLSEL-GHMZBOCLSA-N	314.788	3.518	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)Cc2ccc(Cl)cc2)n1	862519529	JCLCHUFMVTWMRM-UHFFFAOYSA-N	317.820	3.755	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)N2CCCC2)cc1	864365862	DQSTYVMLXNTQJX-GHRIWEEISA-N	324.424	3.835	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(F)cc2Cl)c1C	885136829	JHPZMJYCYZIQKK-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@H]1c2ccccc2CC12CCOCC2	894548847	LMSVIFMWDHJBNP-IEAZIUSSSA-N	305.849	3.544	50	20	DHGD	
CC[C@H](C)[C@H](C)NC(=O)NNc1ccccc1C(F)(F)F	920049371	QUNGDLTUIGNBGN-UWVGGRQHSA-N	303.328	3.766	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(-c2cnn(-c3ccccc3)c2C)cs1	1117392885	ZQPGANJIFBOYJB-KAMYIIQDSA-N	321.409	3.518	50	20	DHGD	
Cc1coc(C(=O)NNc2ccccc2OC(F)(F)F)c1C	1322101095	UBTRDXAXIYYKLS-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NOC(C)C)c(C)n1CCC(C)C	1324792254	QXQXNKTYOMXJEJ-YVLHZVERSA-N	317.433	3.514	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC(Cc2ccsc2)C1	1337349027	GNUNJZRTFORCKU-UHFFFAOYSA-N	305.830	3.802	50	20	DHGD	
Cc1ccccc1[C@@H](CO)N(C)C(=O)c1cccc(CCl)c1	1337409921	OKWNUGPIOSYXSQ-QGZVFWFLSA-N	317.816	3.539	50	20	DHGD	
CCC(=NNC(=O)c1cncn1-c1ccccc1)C1CCCCC1	1338175125	CERGGLMZYHWCCF-UHFFFAOYSA-N	324.428	3.948	50	20	DHGD	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C(=O)c1cccc(CCl)c1	1347061033	QSHQLNWUDQIYEP-SKDRFNHKSA-N	305.727	3.838	50	20	DHGD	
COc1ccc(Cl)c(NNC(=O)c2cc3c(o2)CCCC3)c1	1548673087	ZHRCMMRSSILZBW-UHFFFAOYSA-N	320.776	3.577	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cc(Cl)ccc1N(CC)CC	16721946	ROHQGNBMLFSHAV-VAWYXSNFSA-N	321.808	3.569	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])c(C)c1	58951873	VEHNTKSJLSVLNX-GDNBJRDFSA-N	321.336	3.757	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(F)c(C(F)(F)F)c1	67144428	FDAPBGMQHYHVLS-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(C)c(F)c2)c1	67427874	MQFDKRGVEIOMCJ-ZSOIEALJSA-N	310.328	3.688	50	20	DHGD	
O=C(CC[C@@H]1CCCO1)NN=C(c1ccccc1)c1ccccc1	71878319	GDYFRPADJAGXRS-SFHVURJKSA-N	322.408	3.514	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cc2ccccc2s1	85682853	YRCQMYZWTUXNFG-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	113006493	MSXORYFHBXTZGV-XFFZJAGNSA-N	314.282	3.668	50	20	DHGD	
Cc1cccc2c(CC(=O)NNc3ccc(Cl)cc3)c[nH]c12	120304981	BPBSBUFVZLNJNU-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2cccc(Cl)c2)cc1C	120371921	MNAVIJWBVRNSCL-UHFFFAOYSA-N	317.776	4.000	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2csc(-c3ccoc3)n2)c1	150813460	YALDFKNMCIQNKA-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
CC(C)Oc1ccccc1CC(=O)NNc1ccccc1Cl	158193317	DCXXKLKTCCNZEF-UHFFFAOYSA-N	318.804	3.813	50	20	DHGD	
CC[C@H](C)Oc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1	158308913	SYFDXKAUSCAESD-ZDUSSCGKSA-N	324.384	3.884	50	20	DHGD	
O=C(NNc1cccc2cnccc12)Nc1ccc(F)cc1F	171442517	KSWKINYJAAIVOH-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
CC[C@H](NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	177493722	XOLYDMMVRZRPEK-HNNXBMFYSA-N	306.768	3.865	50	20	DHGD	
O=C(NNc1ccccn1)Nc1cccc(OC2CCCC2)c1	180142757	DODVRIBXNBBVRE-UHFFFAOYSA-N	312.373	3.552	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCC2CCOCC2)cc1	181131996	UOEMTMTXGZIRRV-UHFFFAOYSA-N	304.434	3.634	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc2[nH]c(C)c(C)c2c1	184321550	BYTVMPAJCQKRAC-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	192097022	CKNTVVWZKFXYDF-XFXZXTDPSA-N	317.332	3.785	50	20	DHGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)Nc1nccs1	213363579	ZFTUNCPDPNPQJK-GDNBJRDFSA-N	305.362	3.842	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc2ccc(C)cc2nc1Cl	255397432	XNUGFICILRIYOL-ZROIWOOFSA-N	313.788	3.630	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)C(=O)CC(C)C)c2C)no1	255465202	YGDUJVWMYAJKNP-SXGWCWSVSA-N	311.385	3.913	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C(C)(C)C)on1	281735761	JRGFNPWLWXRFDR-UHFFFAOYSA-N	301.390	3.600	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	291574396	ORXOZICFLHLWNC-YRNVUSSQSA-N	306.291	3.942	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CC=C(c2cccc3ccccc23)C1	371595747	HVUWEGUTRZVSBN-SAPNQHFASA-N	318.376	3.509	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(F)c2cccnc12	490726056	NEFIPLZXJLIMTO-KAMYIIQDSA-N	311.360	3.587	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1ccc(F)cc1	588421196	VKVPAKZHQRXEEX-YFHOEESVSA-N	302.286	3.585	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)c2ccncc2)o1	734295103	AHCVVCXFOOTSLD-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C(=O)C(C)(C)C	748672343	FEARLILOBWWAMC-UHFFFAOYSA-N	318.442	3.938	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H]1CCC[C@H](C)C1	751165905	FWPGLMNNFHQNMY-RYUDHWBXSA-N	307.346	3.725	50	20	DHGD	
O=C(NCc1ccccc1)NNc1cc(Cl)ccc1Cl	751991442	FGBXCLBTLBXSFM-UHFFFAOYSA-N	310.184	3.820	50	20	DHGD	
COc1ccsc1C(=O)NNc1cc(Cl)ccc1Cl	752810190	GUBCZMOMFNBTKL-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H](C)c2ccc(Cl)c(Cl)c2)c1	755853841	JDFVMSIRBNULRC-SNVBAGLBSA-N	324.211	3.944	50	20	DHGD	
C=CCCC(C)=NNC(=O)c1ccc(COc2ccccc2)o1	758097951	ZBFXLIUWKMTAHQ-UHFFFAOYSA-N	312.369	3.931	50	20	DHGD	
O=C(NN=C(CCc1ccccc1)c1ccccc1)c1ccc[nH]1	762605769	ZBFGWVKAPFGUTQ-UHFFFAOYSA-N	317.392	3.782	50	20	DHGD	
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)c1ccccc1	765500366	REJIPJZJVBZQTP-FMIVXFBMSA-N	302.255	3.890	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@H]1CCc2ccccc21	770373884	HVKXGWQBROJPGV-DGCLKSJQSA-N	311.219	3.681	50	20	DHGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)Nc1ccccc1F	779221189	QKKMVMAVWNAFLO-MHWRWJLKSA-N	317.323	3.920	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1[N+](=O)[O-])C(=O)C1CCCC1	781555357	HPPNZTORYLLBRZ-GHXNOFRVSA-N	304.733	3.914	50	20	DHGD	
COc1ccc(NNC(=O)Nc2ccccc2C(C)(C)C)nc1	782007346	YDCHGXRCMSGWLW-UHFFFAOYSA-N	314.389	3.536	50	20	DHGD	
N#C/C(=C\c1ccsc1Cl)c1nnc2n1CCCCC2	790100768	IEPXXQMXHXQQCH-DHZHZOJOSA-N	304.806	3.784	50	20	DHGD	
Cc1cccnc1NNC(=O)c1c(C)[nH]c2ccc(Cl)cc12	791213808	OTYCQSYYKRVAPX-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
C=C(CBr)CN1CCc2c(F)cc(F)cc2[C@@H]1C	791472564	KAIQLCMLNCWWMH-JTQLQIEISA-N	316.189	3.835	50	20	DHGD	
COc1ccsc1C(=O)NNc1cc(Cl)cc(Cl)c1	791725893	ALWKVETYUGLZJO-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1ccc(F)cc1F	799564612	XAXYNBPSSZEVBX-UHFFFAOYSA-N	319.355	3.662	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1c[nH]c(C(F)(F)F)c1	807969430	QZXGXTHCMZRTBV-UHFFFAOYSA-N	323.318	3.507	50	20	DHGD	
CC1(C#N)CCN(Cc2ccc(OCCCCl)cc2)CC1	811488952	RAODZDJIPXUYIS-UHFFFAOYSA-N	306.837	3.820	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1[N+](=O)[O-])c1ccncn1	811694618	UUVZHSUXGSOVRB-OQFOIZHKSA-N	321.123	3.756	50	20	DHGD	
CC(C)Oc1ccccc1NC(=O)NNc1cccc(Cl)n1	814590110	CFBRPPFNUKSHOI-UHFFFAOYSA-N	320.780	3.671	50	20	DHGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)c2c[nH]c3ccccc23)CS1	814699122	IRFSHBBWJCAPKU-HNNXBMFYSA-N	315.442	3.805	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1cccc(C#N)c1	819409337	JLKSWTFILFMLKL-INIZCTEOSA-N	307.397	3.579	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(OC)cc2)c1	834438323	ODDZSJAGOYDXER-XNTDXEJSSA-N	323.396	3.793	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(O)nc(C(C)C)c2)c(Cl)c1	836937981	TWOYOYXOFYWGCX-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
CCC[C@@H](OC)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377169	ODXFDWMLQSDTSR-LLVKDONJSA-N	324.730	3.617	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccnn2CCC)c1C	853000504	CACIMFDWOVDUAU-FOWTUZBSSA-N	322.412	3.687	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ccnc(Cl)c1	855468836	JQGVTRLYAIPCDB-UHFFFAOYSA-N	318.808	3.704	50	20	DHGD	
CCCc1sc(C(=O)NNc2cccc(C)n2)cc1CC	862524708	RLSWVIURWBUXTB-UHFFFAOYSA-N	303.431	3.723	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)s1	915975528	DDBWVCUGJBJQMO-UHFFFAOYSA-N	308.406	3.903	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1cc(C)sc1C	916280432	CZIHIIZDKLKPDS-UHFFFAOYSA-N	315.442	3.585	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccc(F)cc1	916308907	YUCFHNBNGQVYNG-UHFFFAOYSA-N	314.404	3.882	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1OC	916663216	KCZRTCDVDODVRD-NTEUORMPSA-N	319.364	3.953	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)Cc2ccsc2)c(C)c1	919658624	VUAUQJYQDRSZOQ-AWEZNQCLSA-N	317.458	3.931	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3ccc(C)cc3)ccc2c1	1115832617	WJVCJJMVZGUOLM-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)c1cccc(CCl)c1	1120620648	CCSAQECHTKQPQL-HOTGVXAUSA-N	319.832	3.789	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnn(C3CCCCC3)c2)c1	1319370754	JCGUWYFHKDAYFL-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
COc1ccc2[nH]c(C)c(C(=O)NNc3cc(C)cc(C)c3)c2c1	1319596845	IDGKPYXGYNNVOK-UHFFFAOYSA-N	323.396	3.859	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cnc1Cl	1319640765	PQRIRXRRXRVCAX-GHXNOFRVSA-N	321.771	3.633	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1ccccc1C	1320082237	VHSDBAYSIXSDCD-SDNWHVSQSA-N	307.349	3.802	50	20	DHGD	
c1cc(Cc2nnc(CCCC[C@H]3CCSS3)o2)ccn1	1325780698	VLBNKBDMSJDNMA-ZDUSSCGKSA-N	321.471	3.922	50	20	DHGD	
C[C@H](NC(=O)c1cccc(CCl)c1)c1nc(C(C)(C)C)no1	1335799815	JOKJOQGNKBALSM-JTQLQIEISA-N	321.808	3.597	50	20	DHGD	
O=C(N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2)c1cccc(CCl)c1	1346934219	MUMQFHCCIRXHIU-ARFHVFGLSA-N	319.832	3.503	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1594959481	VQXJVUSUNHHRPA-LLVKDONJSA-N	323.345	3.805	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Cl)cc3cccnc23)c1	79141671	DNWHBUAWAQMCJS-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1c([C@@H](C)NC(=O)NNc2ccccn2)oc2ccccc12	79640931	XPRSZAUTWRVWOL-GFCCVEGCSA-N	310.357	3.524	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(CC(C)C)c2C(F)F)cc1	89485482	MOOBPKTXLQSWEL-UHFFFAOYSA-N	322.359	3.542	50	20	DHGD	
Cc1ccc(NC(=O)NNc2c(Cl)cccc2Cl)cn1	119411120	MFOKMFWEZUEVLU-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)c1cccc(F)c1	120248459	CCANIHDMTNMQNO-CYBMUJFWSA-N	312.388	3.951	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2ccc(F)cc2C)cc1	120480986	ONEGAJJWTRQZDL-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
CC(C(=O)NNc1cccc(Br)c1)=C1CCCC1	152207431	LFOWJPUGCLMZQG-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1ccc(F)cc1C	160692173	GOWHFNLLTWFBHY-GFCCVEGCSA-N	316.376	3.780	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)oc1C	171218371	SUBAIZVPMUEEON-RIYZIHGNSA-N	323.348	3.781	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2cccc(C)c2)cc1C	180363730	GKJPXEMGPDKIRM-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
O=C(Cc1cc2c(ccc3ccccc32)o1)NNc1ccncc1	180473666	OVINAXTUUWNIED-UHFFFAOYSA-N	317.348	3.667	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1scnc1C1CC1	491159195	HWRKAKYZGJGGKI-IBCIGOPUSA-N	315.442	3.622	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)c2ccc(C)cc2)cc1	725741155	PCYOPMGZNWMKGZ-LGMDPLHJSA-N	320.392	3.964	50	20	DHGD	
COc1ccc(NNC(=O)c2csc3c2CC[C@H](C)C3)cc1	729274085	NRPOZYNRNCZVRP-NSHDSACASA-N	316.426	3.638	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc(OC(F)(F)F)c1	730946042	YZIAGRSOWMCAHK-UHFFFAOYSA-N	318.295	3.834	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)C(C)(C)c2ccccc2)c1	731151279	TXGIUOVJVXPZSR-UHFFFAOYSA-N	324.424	3.902	50	20	DHGD	
CC(CCc1ccccc1F)=NNC(=O)c1ccc(C)cc1O	734093025	MPAVPTHWDFQZCC-UHFFFAOYSA-N	314.360	3.578	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)OC(C)(C)C)cc1	737763164	LMIVDHCTOCGPFY-CYBMUJFWSA-N	320.433	3.860	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(Cl)nc1	743819661	WXVANHYWIYGVON-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(OCC(F)(F)F)cc2)CC1	748694881	GGFPYDFLHMZVAB-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748730450	NVPHSKQPAHOGFQ-SNVBAGLBSA-N	313.785	3.764	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2nccc3sccc23)C1	756772640	NRLWQLBDRRJOTA-NSHDSACASA-N	303.431	3.956	50	20	DHGD	
CC(C)c1ccc(CC=NNC(=O)c2cccc(C#N)c2)cc1	760249343	PITUURRICUABGI-UHFFFAOYSA-N	305.381	3.640	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(C#N)s1	762450874	ZACBZXZWIRWVFV-UHFFFAOYSA-N	321.764	3.566	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccc(Br)c(C)c1	762805662	OBLYYDVNNXRTJK-CSKARUKUSA-N	311.223	3.947	50	20	DHGD	
CCc1nc(COC(=O)[C@@H](Br)C(C)(C)C)cs1	766748099	CFRJOIJWUOPVCV-SNVBAGLBSA-N	320.252	3.558	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C)ccc1F	768308312	XAGZIGSZEHNIGB-CZUORRHYSA-N	308.397	3.563	50	20	DHGD	
COc1cc(C(=O)OC[C@H](C)CBr)ccc1Cl	770411747	OFIPSBWQPPSWAN-MRVPVSSYSA-N	321.598	3.536	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc3c(s2)CCCCCC3)CCO1	773188528	DOOHVOCKZOPCHX-LBPRGKRZSA-N	320.458	3.692	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2ccc3ccccc3n2)c1	777465976	YVCDZJBHCPBLBQ-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
N#CC1=CCN([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC1	779588098	VYEBVRZNFLGIIU-IBGZPJMESA-N	317.392	3.522	50	20	DHGD	
CCCCCCC(=O)COC(=O)/C(C#N)=C/c1ccc(C)cc1	784191203	JSCKPUYQIFKOQA-SFQUDFHCSA-N	313.397	3.985	50	20	DHGD	
C[C@]1(C=NNC(=O)c2ccc(Cl)cc2Cl)CCCS1	792944406	RPZRNRRAIZUDCH-CYBMUJFWSA-N	317.241	3.995	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1cc(C)cc(C)c1	797946954	JTBAIFPVUVKXDF-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1C[C@H](c2ccccc2)C1	798023192	JSMAULLOKPKGKB-PRBYMVBFSA-N	320.367	3.795	50	20	DHGD	
CC(C)[C@H](NC(=O)NN(C)c1ccccc1)c1ccc(F)cc1	800047181	ITAKHCTUGREXBP-KRWDZBQOSA-N	315.392	3.873	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)nn1	806572686	MURYFGSISXGPHT-WDZFZDKYSA-N	301.419	3.677	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)oc1C	809147009	WIUFNDOYOPMASX-NVNXTCNLSA-N	323.348	3.781	50	20	DHGD	
CC(C)[C@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	811486703	HLMSZTKFQOXBBD-QGZVFWFLSA-N	311.853	3.551	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCCC12CCCC2	814718379	UNAHUOBKMNYCGJ-UHFFFAOYSA-N	324.428	3.863	50	20	DHGD	
COC(=O)c1cc(NNC(=O)CC2CCCCCC2)ccc1C	816688357	NVLPZIJEVKQTML-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1ccccc1Br	819409991	OSGMUWRFYIZWKU-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	825727750	WYGITYZBHRRETG-HZPDHXFCSA-N	316.445	3.544	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	827650542	ZKJAVCDQSVPZFJ-LBPRGKRZSA-N	308.813	3.512	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	830852162	REULCTLGKWCYKH-LLVKDONJSA-N	311.357	3.639	50	20	DHGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967935	DYTNHGPLPIJGQG-CMPLNLGQSA-N	315.339	3.760	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1c[nH]c(C(F)(F)F)c1	834412820	SNMXRIDPEXFNKJ-KPKJPENVSA-N	313.323	3.637	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](c2cccnc2)C(C)C)c(Cl)c1	836935937	WUEUBFMGFRLHQT-INIZCTEOSA-N	317.820	3.926	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cc1OC	837057862	HDWUKYXMRKCMMK-UHFFFAOYSA-N	314.385	3.584	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3cc(C#N)ccc32)C[C@H]1Br	857082688	QCWDQSVVSSVCQK-ARFHVFGLSA-N	319.246	3.699	50	20	DHGD	
C[C@]1(CNC(=O)c2csc3ccccc23)C[C@H]1Br	857400743	CKPXOIDBVSZEJM-TZMCWYRMSA-N	324.243	3.805	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NC[C@@]2(C)C[C@H]2Br)cc1	857401684	MHJVZHSRVIXAJF-SGIREYDYSA-N	324.262	3.642	50	20	DHGD	
Cc1ccccc1-n1c(C)cc(/C=C(/C#N)C(=O)N2CCC2)c1C	914751627	MQYRUGQFNODBHE-PDGQHHTCSA-N	319.408	3.542	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1cc(F)ccc1F	916254157	JGLDWSJAJCFOLD-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CC(C)C(=O)NN=C1C[C@@H](c2ccccc2)Oc2ccccc21	916327236	GNQWPMPPRGXFER-SFHVURJKSA-N	308.381	3.687	50	20	DHGD	
O=C(N[C@@H]1[C@H]2CCc3ccccc3[C@@H]21)C1CCC(Cl)CC1	1123670078	ZSMBKYGTVAJXAV-JXXHBXJDSA-N	303.833	3.629	50	20	DHGD	
O=C(CCl)Nc1ccccc1C(=O)Nc1cccc(Cl)c1	1320465911	RDIKPTRTSPAVPX-UHFFFAOYSA-N	323.179	3.770	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)CC1CCCCC1	1320841846	ITFKSULNYOAHFP-CYBMUJFWSA-N	304.438	3.650	50	20	DHGD	
CCCCn1cc(CNC(=O)c2cccc(CCl)c2)c(C)n1	1335879844	UTVOSIWRFDIUCC-UHFFFAOYSA-N	319.836	3.660	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	1358240193	ORTGXZCQQWUXNS-HOTGVXAUSA-N	319.832	3.599	50	20	DHGD	
O=C(O)CC1CCC(=NNC(=O)c2cccc3ccccc23)CC1	1601945882	IWSZGUXDBWOPGM-UHFFFAOYSA-N	324.380	3.591	50	20	DHGD	
O=C(O)c1cc2cc(NC(=O)C3CCC(Cl)CC3)ccc2o1	1608864700	LDXFTOKWKCYMBM-UHFFFAOYSA-N	321.760	3.867	50	20	DHGD	
CC(C)(C)[Si](C)(C)Oc1cccc(CNC2(C(=O)O)CC2)c1	1776270381	SIBLMWZVIYOQBW-UHFFFAOYSA-N	321.493	3.777	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	17700301	FMSDFAOZEMHYMN-DHZHZOJOSA-N	312.316	3.508	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)c2sccc2C)oc1C	55040733	RJWRHQWSAGUUFN-WDZFZDKYSA-N	315.350	3.534	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)c1C	112224861	HDYMUOICDDXDCA-ZSOIEALJSA-N	322.330	3.764	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1cccnc1Cl	128610855	PBLNFTFQDJUAKV-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccncc3Cl)csc2C1	154446903	HXUPTVDCAQHHFZ-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1cc(C)cc(C)c1	158629095	BXWMMHCVGPQVAH-MRXNPFEDSA-N	316.376	3.743	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C#N)cc2)ccc1OC(C)C	161034020	ITYOVTRIHOVOGL-UHFFFAOYSA-N	324.384	3.803	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(COC2CCCC2)cc1	172486710	XKGKZQCUVFTZOC-NTCAYCPXSA-N	314.385	3.528	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2ccccc2Cl)cc1C	180442377	ICHMGHVKNQEASA-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CC(C)CC=NNC(=O)c1ccc(Br)cc1Cl	728782877	WZHXKGKAMFOROP-UHFFFAOYSA-N	317.614	3.864	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1cc(C)sc1C	729935030	ISFGLVJJOISZCG-UHFFFAOYSA-N	316.426	3.544	50	20	DHGD	
O=C(CCc1ccccc1O)NN=Cc1cccc2ccccc12	729935230	OFUUHSGCHXIMOM-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NNc1nc(C)cc(C)n1	733253260	YKTMZVDGJOAWPW-MRXNPFEDSA-N	318.465	3.923	50	20	DHGD	
O=C(NNc1nccc2sccc12)C(F)(F)c1ccccc1	734246468	DKUMMBJEKVLENY-UHFFFAOYSA-N	319.336	3.531	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1ccc(Cl)c(F)c1	746695174	CFPCXIWYYJKOIC-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(F)c2)cc1Br	748098986	PBOACICCNKGNLL-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ccc(F)cc2C)cc1	748549536	ZZQIZWFRNIVCPI-ZDUSSCGKSA-N	300.377	3.943	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(OCC(F)(F)F)c2)cc1	749192836	HDUGWZQEKKCKBJ-UHFFFAOYSA-N	324.302	3.693	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C(C)=C(C)C	753167892	DNOWBBSBAWTZJW-UHFFFAOYSA-N	311.223	3.811	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1CC12CCCC2	754154403	ZTVNYSOGSJRANI-SNVBAGLBSA-N	316.298	3.868	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	756872460	JWKKQZAWYZQPLR-CYBMUJFWSA-N	321.355	3.893	50	20	DHGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2ccccc2)on1	766010336	MDPQWELDQMZZCK-GFCCVEGCSA-N	311.385	3.884	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2cccc3c2CCCC3)c1F	767084240	MYRGXFGQAISJHL-UHFFFAOYSA-N	316.351	3.909	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	775273592	LXBIBNBRGULSDT-MRVPVSSYSA-N	302.205	3.658	50	20	DHGD	
O=C(CCCc1ccc(Cl)cc1)NNc1cc(Cl)ccn1	778449776	DSFZQXNMXKUCSR-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1cccc2ncccc12	782229231	AKUGERGJYRFANP-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1cccc(Br)c1	786427031	NIZRWJJLKVDYSO-UHFFFAOYSA-N	323.190	3.922	50	20	DHGD	
COC1(C=NNC(=O)c2ccc(Cl)cc2Cl)CCCC1	790150443	XUZZSXXDWNXBOJ-UHFFFAOYSA-N	315.200	3.668	50	20	DHGD	
COc1cc(NNC(=O)c2ccc3[nH]ccc3c2)ccc1Cl	790180372	JEBFGEJLZWVLJK-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2cnn(-c3ccccc3)c2)C1	794511485	CUHTXKXBFQKAHE-HNNXBMFYSA-N	324.428	3.804	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)/C(C)=C\C(C)(C)C)cc1C	794657141	IVOUVEZFPZEBEQ-QBFSEMIESA-N	318.417	3.607	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	794870604	WBQOHMUANQQOHP-UKTHLTGXSA-N	304.353	3.735	50	20	DHGD	
Cc1ccccc1C(=O)NN=C/C=C\c1ccc(F)c(F)c1	794877729	AZSFHDCVJUNETE-VVPBXKMQSA-N	300.308	3.702	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1cccc(OC)c1	799756872	KOWSBBVMRLDGLN-UHFFFAOYSA-N	312.413	3.642	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OC2CCCCC2)c1F	800720720	GEUFIISVEWMAJM-JLHYYAGUSA-N	303.333	3.617	50	20	DHGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1ccsc1	802395159	BRKHBUMWSOEYIH-QMMMGPOBSA-N	313.785	3.928	50	20	DHGD	
CCOC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCCC1	803085669	ZARSVPNRAHLVIO-UHFFFAOYSA-N	304.434	3.777	50	20	DHGD	
CCCC(=NNC(=O)C(C)(C)c1ccccc1)c1ccccn1	814842040	PFUBJAICMOHMDT-UHFFFAOYSA-N	309.413	3.680	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1(Cc2ccccc2)CCC1	817007183	PTHWLWAQMLHXNN-UHFFFAOYSA-N	315.804	3.591	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCc2ccc(C#N)cc2)cc1	837055386	FOYFZXNQJHCXHQ-UHFFFAOYSA-N	307.397	3.758	50	20	DHGD	
CN(CCCc1ccncc1)CCO[Si](C)(C)C(C)(C)C	844344137	SUTBLZCLWIOKMJ-UHFFFAOYSA-N	308.542	3.968	50	20	DHGD	
CC(C)SCC(=O)NNc1ccccc1Cc1ccccc1	846464367	NGUOOIWUVFCIKR-UHFFFAOYSA-N	314.454	3.862	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)C1CC(c2ccc(F)cc2)C1	855466441	NRUGBZKDOITDGY-UHFFFAOYSA-N	319.767	3.511	50	20	DHGD	
C[C@]1(CNc2nc(C(F)(F)F)cs2)C[C@H]1Br	856787474	NWZBNRUSCNZZTP-SVGQVSJJSA-N	315.158	3.747	50	20	DHGD	
BrC[C@H](CN1CCC=C(c2ccccn2)C1)C1CC1	859315877	SAXQTTQMZYZEDK-OAHLLOKOSA-N	321.262	3.592	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2SC(C)C)n1	862523562	JBWWFLRQBLYIAX-UHFFFAOYSA-N	301.415	3.647	50	20	DHGD	
Cc1c(C(=O)NNc2c(F)cc(F)cc2F)ccn1C(C)C	885153217	DPPVUNYFZJAQGU-UHFFFAOYSA-N	311.307	3.552	50	20	DHGD	
CSc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	917368177	LCSQMNIBJXYIOF-UHFFFAOYSA-N	303.339	3.844	50	20	DHGD	
CCCCCCC(C)=NNC(=O)CSc1nc(C)cc(C)n1	917568066	MLASMPGOOQRMLN-UHFFFAOYSA-N	322.478	3.648	50	20	DHGD	
CC(C)(C)c1nc(C=NNC(=O)c2cccc(Cl)c2)cs1	920364644	HOCYKBGJJVNPJF-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
O=C(CCl)N[C@@H](c1cccc(F)c1)c1cccc(Cl)c1	1253968373	OWRVTPPDSHRNAG-OAHLLOKOSA-N	312.171	3.924	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)CC1CCCCC1	1320841847	ITFKSULNYOAHFP-ZDUSSCGKSA-N	304.438	3.650	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(C(C)(C)C)nn1	1323002015	QTYUXUIPPPGKAL-CYBMUJFWSA-N	318.465	3.824	50	20	DHGD	
O=C(NN=C1CCCCC12CCCC2)c1n[nH]c2c1CCCC2	1324254829	ZGCYCMSPLHMVCN-UHFFFAOYSA-N	314.433	3.509	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ccc(C)c(Cl)c1	1328177024	MHRYEOFDBTXPQO-HNNXBMFYSA-N	310.825	3.829	50	20	DHGD	
CC(C)(C)Oc1ccc(CNC(=O)C2CCC(Cl)CC2)cn1	1521308451	MXZWNGOATUIPSM-UHFFFAOYSA-N	324.852	3.673	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)Nc1ccc(-c2ccccc2)cc1	75409366	BAHUUMHQWRRHIL-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
CC(C)=CC(=O)NNc1ccc(Br)cc1Cl	154471380	AGOZSBSDILSIAG-UHFFFAOYSA-N	303.587	3.512	50	20	DHGD	
COc1cccc2cc(C(=O)NNc3cc(C)ccc3C)oc12	159275857	QRXMBHYLANWBSF-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2scnc2C)c(C)c1	172815000	AQFJEAMESYEZOK-VGOFMYFVSA-N	311.410	3.922	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2C)c2ccccc2n1	179008471	CIQYLHWCZMVNNV-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
N#C/C(=C/c1cccnc1Cl)C(=O)Nc1ccc(Cl)cc1	255172686	PUGWJVOVKLVOBP-FLIBITNWSA-N	318.163	3.934	50	20	DHGD	
N#C/C(=C\c1csnn1)c1nc2cc(Cl)ccc2s1	255755526	OPTJTUOUOXFWLP-XVNBXDOJSA-N	304.787	3.865	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC[C@@H]1C1CCC1	375103808	CYDQZMJGBWLTAT-NEPJUHHUSA-N	302.256	3.587	50	20	DHGD	
CSSCCNc1ncc(Br)cc1Cl	379653688	IIVNGGSAOWTOAZ-UHFFFAOYSA-N	313.673	3.921	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1F	728434376	XXAVGLDKTGLOOE-UHFFFAOYSA-N	322.286	3.581	50	20	DHGD	
CC(=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CCC1	747625022	AOHUQMRLXRUTIE-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
O=C(CSC(F)(F)F)NNc1ccc(Cl)cc1Cl	748009569	OMLBLZLENIPNDA-UHFFFAOYSA-N	319.135	3.690	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@@]12CCc1ccccc12	748302400	MDPYKVDQCCLDDS-KBXCAEBGSA-N	312.800	3.687	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@]12CCCc1ccccc12	748551178	AUOFCFSAMSABCQ-PXNSSMCTSA-N	324.399	3.871	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2ccc(C)cc2)cc1	752610952	ILWCWRIWYFRAGV-UHFFFAOYSA-N	300.427	3.793	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1cccc(Cl)c1	760335615	AMJVBZUFDKOLNT-OAHLLOKOSA-N	310.825	3.911	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1nc(C(F)(F)F)cs1	761582126	MHGQORWQWPAHTN-UHFFFAOYSA-N	309.357	3.821	50	20	DHGD	
CC(C)CCC[C@H](C)NC(=O)NNc1ncnc2ccsc12	765651470	SJQDQXDATQQMDO-NSHDSACASA-N	321.450	3.532	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1cccc(F)c1	766747988	VFCTXXWDRGDLIF-LLVKDONJSA-N	303.171	3.679	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1cccc(Br)c1	769605628	LYJHWZZWUGEYNU-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
CCCc1nc(C)c(C(=O)OC[C@H](C)CBr)s1	770341002	QEYHSFAUAOXQOO-MRVPVSSYSA-N	320.252	3.592	50	20	DHGD	
CN(NC(=O)[C@@H]1CCc2c(Cl)cccc21)c1ccccc1	776222564	IJJREHAMDAFNSL-OAHLLOKOSA-N	300.789	3.537	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1ccc(OC)cc1	777139349	XCOCWTIHOPHXOO-UHFFFAOYSA-N	314.410	3.730	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	779758177	JXKBPIADJWQLJG-ZDUSSCGKSA-N	310.401	3.763	50	20	DHGD	
CC(Cc1ccccc1F)=NNC(=O)c1cccc2ncccc12	780224358	CYVUWOLSYOOAGE-UHFFFAOYSA-N	321.355	3.722	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1cc(Br)cs1	782221982	PYRWJBWGQFEKGQ-UHFFFAOYSA-N	317.252	3.787	50	20	DHGD	
C#CCC1(C(=O)NNc2ccc(Cl)c(OC)c2)CCCCC1	790187254	OLWYSMGBLVHDRF-UHFFFAOYSA-N	320.820	3.766	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(C)c(Cl)c2F)cc1	790641500	BEONVRHBJZMITG-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)C1CCCC1	794874855	KGINIMGAHGSCDS-SDNWHVSQSA-N	309.344	3.678	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1nccnc1C1CCC1	805468343	PFOQDJAZVPDRII-UHFFFAOYSA-N	302.422	3.548	50	20	DHGD	
CC(C)c1ccc(C(=O)N(C)CC(Cl)Cl)cc1[N+](=O)[O-]	808247226	WFGXRCBYXSPLRL-UHFFFAOYSA-N	319.188	3.594	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CSc1ccncc1	812769856	WNRDQETWWCVZNI-UHFFFAOYSA-N	315.442	3.749	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OC(C)(C)C)cn2)c1	815853553	PZJXMTPXJDSMBZ-UHFFFAOYSA-N	313.401	3.633	50	20	DHGD	
O=C(CCc1ccc(Cl)c(Cl)c1)NCC(Cl)Cl	816605212	PMPQJZJZTZHJRF-UHFFFAOYSA-N	315.027	3.846	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=CCC(F)(F)F)c1	817321822	BQAKMRLFMWGGBQ-UHFFFAOYSA-N	316.323	3.552	50	20	DHGD	
CC(C)(CC(=O)NNc1cc(Cl)nc(Cl)c1)C1CC1	819748085	UPMCYIBUDAHRSS-UHFFFAOYSA-N	302.205	3.658	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)N2[C@@H](C)CC[C@H]2C)cc1	837055791	LPANWRGCOKXUMX-ZNMIVQPWSA-N	303.450	3.514	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CCCCS1	838348126	VTJOUBZPPHYLMK-SNVBAGLBSA-N	305.230	3.722	50	20	DHGD	
CC(C)O[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)C1	843414050	SQTOHRUATYHFJH-QGZVFWFLSA-N	311.853	3.694	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NC[C@@]1(C)C[C@@H]1Br	857397931	NOPZFCSZIDEVJQ-IVMMDQJWSA-N	324.262	3.778	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)C1(C(F)F)CCCC1	863082078	COZKBWIOIUQVFK-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
Cc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c(C)c1	916308268	BPQANBWDKASXHF-UHFFFAOYSA-N	310.441	3.970	50	20	DHGD	
Cc1ncc([C@H](C)NC(=O)NNc2ccc(Cl)c(C)c2)s1	923622961	UYOOKZPXGUKVCJ-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
CCc1cc(OCC(=O)NNc2cccc(F)c2)ccc1Cl	1116345065	CBVGKSPVEGJGRM-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
Cn1cc(NC(=O)C2CCC(Cl)CC2)c(-c2ccccc2)n1	1351730501	CMNKJNRBGKMTGR-UHFFFAOYSA-N	317.820	3.823	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H](c2ccncc2)C1	1352197779	DYWLDHLHOXJXNK-PCKAHOCUSA-N	306.837	3.585	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1ncccc1C	1528061603	RHKAHKQJXHGMSC-AWEZNQCLSA-N	312.417	3.648	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNc1cccc(C(=O)O)c1	1605266479	SHSWOOHWJNLYGB-CYBMUJFWSA-N	306.406	3.825	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)co1)C(=O)c1cc2ccccc2s1	1610619290	UJPACHKTNQPRRT-WZUFQYTHSA-N	323.329	3.982	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc(F)c(C(=O)O)c2)sc1C	1777489392	DEKXHWUWHYNEJE-VZUCSPMQSA-N	302.330	3.661	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)c1ccc([N+](=O)[O-])cc1	7905037	OKZOHKROUSPMFF-MHWRWJLKSA-N	316.320	3.845	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)cc1O	48417592	WCGFRKSXFOEEPK-RIYZIHGNSA-N	319.316	3.937	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccccc2C(F)(F)F)o1	112227597	JARLZFZTUFTREB-UHFFFAOYSA-N	316.304	3.777	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1CCC[C@H](C(F)(F)F)C1	128490098	UQAIOQJXYJBCBF-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3cccc(C#N)c3)oc2cc1C	152420579	OMEMGXVAMMOFMH-UHFFFAOYSA-N	305.337	3.678	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2c(C)c(C)ccc2[nH]1	160886602	ZZZAEXUBCOLSMO-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
CCCCC1CCC(C(=O)NNc2ccc(Cl)nn2)CC1	172441045	YYWVUSKJFOXVRK-UHFFFAOYSA-N	310.829	3.570	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC(CC)(CC)c1ccc(Cl)cc1	178963314	CXBWEUVCNIAGEU-OUKQBFOZSA-N	320.820	3.915	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	182258117	HVCRVDNIHYLZBQ-YRNVUSSQSA-N	318.279	3.683	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1	207691279	MQNPAJVLFLUXIG-UVTDQMKNSA-N	310.328	3.770	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1F)c1nnc2n1CCCCC2	268412617	PAAXMUAXZRXRLB-FMIVXFBMSA-N	316.767	3.861	50	20	DHGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNc2ccccc2Cl)CCO1	272887820	WLOMHRJVTJGSFG-DOMZBBRYSA-N	310.825	3.624	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1	272911550	YYUUUZSELYFOIJ-NVXWUHKLSA-N	304.434	3.588	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1ccccc1SC	284267554	QYOGEISHWDOXSK-UHFFFAOYSA-N	316.517	3.561	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1ccc2c(O)nccc2c1	285730559	OWYAPNKQYIJBGM-ZDUSSCGKSA-N	315.417	3.990	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)Nc1nccs1	588386576	JIHFVFUGTFTJHW-XFFZJAGNSA-N	317.801	3.959	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)c1cccc(F)c1	588598136	BLWPQLMRVWLFSW-LFIBNONCSA-N	317.323	3.801	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2cc3c(s2)CCC3)o1	732762953	ADXKFEKJBPMWQD-ZWNOBZJWSA-N	314.410	3.717	50	20	DHGD	
C[C@@H](CCC(C)(C)C)NC(=O)NNc1cc(F)c(F)cc1F	737061023	FUCYUOMSTVUFBL-VIFPVBQESA-N	317.355	3.945	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNC(=O)c1cccc2ccccc12	741576154	MLEXDAILMDNVIW-GOEBONIOSA-N	324.424	3.817	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C)nc3onc(C)c23)c(C)c1	743761337	AKDNYEKNQUHCHV-UHFFFAOYSA-N	324.384	3.522	50	20	DHGD	
CCO[C@@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743765671	XDCNICZCWWKLLH-GOSISDBHSA-N	312.413	3.833	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1nc(C)sc1C	749824226	ZWPHDCXXWMOXFC-UHFFFAOYSA-N	313.382	3.660	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCSc2ccccc2F)c1	760136969	JOZATFAKDHLIRU-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3ccccc3F)cc2s1	762136847	DUCJWXGZMQWXIK-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(C)cc1)OCO2	764891673	MVYHEKMJVIMLNI-CHHVJCJISA-N	321.332	3.522	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC(C)(C)C[C@@H]2C)cc1OC	766002877	QWAMBNRQUWYSFR-LBPRGKRZSA-N	318.417	3.636	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1C[C@@]1(C)c1ccccc1	768182734	BTEAEIXPUPGRDI-IOASZLSFSA-N	324.262	3.642	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	768192225	RBKZPXFCGJBCDQ-WUHRBBMRSA-N	316.283	3.881	50	20	DHGD	
Cc1ccc(Cl)c(OCC(=O)NNc2c(C)cccc2F)c1	771706677	IOTXNINIVSCTQG-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1ccnc2cc(Cl)ccc12	774262497	JWGZVHRUTBMMOE-JTQLQIEISA-N	323.849	3.863	50	20	DHGD	
C#CCOc1cccc(NC(=O)NNc2cccc(Cl)c2)c1	775608737	GYKGJSNKFHVWQB-UHFFFAOYSA-N	315.760	3.501	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(F)nc2)c1C	777884806	SNEHNUZFQCWHCK-OQLLNIDSSA-N	309.344	3.615	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)[C@H]1CCCOC1	779760996	FVLIOOSQRFESNN-AWEZNQCLSA-N	320.458	3.549	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)CC1	783685938	NZBZTCABABFODR-MGCOHNPYSA-N	300.324	3.763	50	20	DHGD	
CCCN(N=C(C)c1cccc([N+](=O)[O-])c1)C(=O)OC(C)(C)C	794992838	JZHGGDQEGTWMBI-UHFFFAOYSA-N	321.377	3.966	50	20	DHGD	
C=C(CBr)COC(=O)Cc1c[nH]c2c(C)cccc12	795518019	KYVSFBXXPVLLHA-UHFFFAOYSA-N	322.202	3.513	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cc(Cl)ccc1OCC1CC1	797401027	XQVVONLCKHMIFS-UHFFFAOYSA-N	308.809	3.625	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H](O)CC[C@@H](C)CC	799759642	VCZKZLMRNKOTMQ-BBRMVZONSA-N	306.450	3.578	50	20	DHGD	
CSSCCNC(=O)NC(C)(C)Cc1ccccc1C	806722433	XUJBICATUZJMMJ-UHFFFAOYSA-N	312.504	3.627	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccnc2OC(C)C)c(C)c1	806961035	JIBAWKCKJSBXQG-UHFFFAOYSA-N	313.401	3.551	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc(O)c2ccccc2c1	810683694	HYZRCOKBMAJNEO-UHFFFAOYSA-N	312.756	3.956	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)NNc1cccc(Cl)n1	814482161	MZNYDHFCJCAYKB-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C[C@@H](C)C1CCCCC1	814718147	KXAXPFSWGCWQIW-CYBMUJFWSA-N	312.417	3.575	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)CSc1ccccc1O	814968399	BNDLFLHKMKRCHR-UHFFFAOYSA-N	308.447	3.803	50	20	DHGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2c(C)cccc2C(C)C)C1	816782479	YOIPBIVGRDWYMY-HUUCEWRRSA-N	304.434	3.767	50	20	DHGD	
CCC[C@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C(C)C	832968503	MUAGJMHDRSAUFM-NSHDSACASA-N	303.328	3.616	50	20	DHGD	
CC(=C\c1cccc([N+](=O)[O-])c1)/C=C(\C#N)C(=O)C(C)(C)F	834447391	MKWUJPSOULOHKQ-ZHSLHGDYSA-N	302.305	3.765	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)[C@@H]1C[C@H]2CC[C@H]1O2	834963303	SZZKQOBCHBAMNQ-FHLIZLRMSA-N	308.381	3.513	50	20	DHGD	
CC(C)CCCCC(=O)NNc1cccc(Br)n1	837692136	HYMVWTPTJQGLPG-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
CC(C)Cc1c[nH]c(C(=O)NNc2c(F)cccc2Cl)c1	839729009	USMOJUMYGDPWDA-UHFFFAOYSA-N	309.772	3.763	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2ccnc(N)c2)C1	844338061	WWWNNISFIBEMFV-OAHLLOKOSA-N	321.541	3.650	50	20	DHGD	
C#CC[C@@H](NC[C@@H](CBr)C1CC1)c1ccccc1	859232933	NUQRYJBFCSPFHM-HZPDHXFCSA-N	306.247	3.762	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cccc(Cl)c1Br	872342875	DELNHPXSEUIYGS-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@@H](C)C2CC2)c1C	875158169	VRKUMIHUWHJGQP-DZBQEORWSA-N	313.445	3.679	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	885127563	USXXTWQYFXTIGR-CZUORRHYSA-N	324.852	3.933	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(F)cc2Cl)n1	885136878	KDOFUFUNYYTMSV-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	916141830	VCQDJDUNLBKVJO-SAPNQHFASA-N	312.413	3.785	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)c(C)c1	916341045	WFJMXZRWUYRZQJ-UHFFFAOYSA-N	319.408	3.868	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccccc3F)cc2C1	916353403	LXNQAURDJVHRCH-NSHDSACASA-N	316.401	3.776	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)c1ccccc1Cl	1251368968	HUTKKIXNYOVRJQ-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1cnc(-c2ccccc2)s1	1256104988	WPSHQPAVPQMROX-RIYZIHGNSA-N	310.378	3.713	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)o1	1318363748	XHQHUUPXUZYEBO-ZROIWOOFSA-N	309.321	3.777	50	20	DHGD	
CC(C)C[C@H]1C[C@@H](NC(=O)c2cccc(CCl)c2)CCO1	1337213411	WBOUQLCDHWHGDC-HOTGVXAUSA-N	309.837	3.749	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)c1ccccc1Cl)CC(C)(C)C	1337502398	FEOSXHNEIALQCE-LLVKDONJSA-N	310.825	3.563	50	20	DHGD	
CCN(CC)C1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	1342947969	QPFLQFPMUQSHLS-UHFFFAOYSA-N	314.590	3.814	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C)cc1OC	5131265	ZBYRDLJFLKMQAY-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc(OC(F)F)cc1	30609470	DZUPUXOLKFPFJX-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
CC(C)N(C)c1cccc(NC(=O)NNc2ccccc2F)c1	92761203	OJLFGKNQXURIAL-UHFFFAOYSA-N	316.380	3.819	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)Cc2cccc(F)c2)c1	159289350	GRVQTNIPFCAVBN-CQSZACIVSA-N	300.377	3.764	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Oc3ccccc3)ccn2)c1	174245446	SLPZIPDENUOSIK-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(-c2nc(C)cs2)cc1	178963030	LFQGOCIKKBKJDG-UKTHLTGXSA-N	313.382	3.501	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)c1ccsc1	193346397	KBNKJMJHZHLEAE-GDNBJRDFSA-N	305.362	3.724	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1F	212595157	NVVSSDQRRSDOIA-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	255046128	OJJIPCISBVJDKI-GDNBJRDFSA-N	317.348	3.990	50	20	DHGD	
C=C(CBr)CN[C@H](C)c1cccc(OC(F)F)c1	279700107	JIENDTCVXALDAU-SNVBAGLBSA-N	320.177	3.890	50	20	DHGD	
Cc1ccccc1C(=NNC(=O)c1cccc(N(C)C)c1)C1CC1	731924922	SPAGIDRHGYHVFO-UHFFFAOYSA-N	321.424	3.605	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)ccc1C)c1sccc1C	733746079	YDSLHPMGBNWUEW-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)cc1	734482479	BUTMERYNAWJCKM-ONRVGMAUSA-N	320.392	3.935	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2C[C@]23CCc2ccccc23)ccc1[N+](=O)[O-]	744036513	AUEZFKRXVMKLLE-APWZRJJASA-N	323.348	3.713	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc3c2CCCC3)c2n[nH]cc2c1	748589577	ZZKSBWMKKSNJKD-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1ccc2ccccc2n1	755464108	QNKBPCGJMBJMLL-IRXDYDNUSA-N	315.376	3.754	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@@H](CC)C2)c1C	755485552	JGRZOTOKEPQHCP-CJMVGXJBSA-N	313.445	3.680	50	20	DHGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1cccc(Br)c1	766024926	DQOBZNKJQUODGT-JTQLQIEISA-N	323.234	3.991	50	20	DHGD	
CC[C@H](C)[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768511702	BKEDLJTWBIEVAL-SUMWQHHRSA-N	322.412	3.836	50	20	DHGD	
CCc1ccc(NC(=O)NNc2nccnc2C(C)C)cc1C	770629798	LLBOMQXWPCNVJN-UHFFFAOYSA-N	313.405	3.619	50	20	DHGD	
COCc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1	774559829	JBWVTLQBCXDQBK-CXUHLZMHSA-N	324.336	3.814	50	20	DHGD	
CCCc1cnc(NC(=O)NNc2ccccc2Cl)s1	776488354	UEIGZRULBDUIML-UHFFFAOYSA-N	310.810	3.898	50	20	DHGD	
N#C/C(=C\c1cc(F)cc(Cl)c1)C(=O)NC1CCCCC1	776722612	UXJJZKKUMMILRZ-WUXMJOGZSA-N	306.768	3.835	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2ccccc2)cc1OC	781123328	UKTXVQKVBRANEF-AWEZNQCLSA-N	310.397	3.858	50	20	DHGD	
CCC1CCC(N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	786905734	WCHSBQIXVYBFFW-FOWTUZBSSA-N	312.413	3.726	50	20	DHGD	
Cc1cnc(Cl)c(NC(=O)NNc2ccccc2Cl)c1	787445147	IRWNHLREKXOAEW-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
COC[C@H](NCCO[Si](C)(C)C(C)(C)C)c1ccc(C)o1	788024210	QCDNQVICQRFMJM-AWEZNQCLSA-N	313.514	3.887	50	20	DHGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791733061	OZVZQGMAGPGLML-VIFPVBQESA-N	318.248	3.603	50	20	DHGD	
CCCn1ccc2ccc(NC(=O)NNc3ncccc3C)cc21	792315345	IWIWJQXIXDTYIM-UHFFFAOYSA-N	323.400	3.903	50	20	DHGD	
C=C(CBr)COC(=O)c1oc2ccccc2c1C	795308276	LAOWLWWKSOBXAX-UHFFFAOYSA-N	309.159	3.849	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	797334976	GVFCPKVMUQKTEQ-LCYFTJDESA-N	312.344	3.765	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc2cccnc12	799755131	TVGONSUMIROVAY-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CC1CCC(OC)CC1	799757955	QCPQPEHRRSOYCF-UHFFFAOYSA-N	304.434	3.596	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccc(-c2ccccc2)cc1	804772293	FEZRFWROPYDBGA-UHFFFAOYSA-N	307.328	3.645	50	20	DHGD	
CC(C)[C@H]1N(C(=O)[C@H](Br)C(C)(C)C)CC12CCC2	816800517	ZJMNHTJQZMGQBP-NWDGAFQWSA-N	316.283	3.833	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1CCC(F)(F)CC1	819746679	DATFBZURHOYILU-UHFFFAOYSA-N	324.158	3.657	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1CCCCO	844351959	ZPARDAREUFWLJX-HNNXBMFYSA-N	301.547	3.635	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1cccc(OCC#N)c1	853720684	HMUVYJBPQPQKSP-UHFFFAOYSA-N	307.466	3.990	50	20	DHGD	
CO[C@H](c1ccccc1)[C@H](C)NC[C@@]1(C)C[C@@H]1Br	857083458	WURDMASPURHSFZ-CYUUQNCZSA-N	312.251	3.526	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1ncc(Cl)cn1	857357211	KONSRHVNFJVDNX-GFCCVEGCSA-N	310.829	3.570	50	20	DHGD	
Cc1ccccc1-n1c(C)cc(/C=C(\C#N)C(=O)N2CCC2)c1C	914751626	MQYRUGQFNODBHE-LDADJPATSA-N	319.408	3.542	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc3ccccc3n2)cc1C	915931254	AKAZUWCPLXJTIE-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
Cc1cc(NNC(=O)Nc2ccnn2C(C)(C)C)ccc1Cl	930929107	WTQQHKFOZJKOTP-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
CC1(CCC(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CC1	935025329	JLXNAXGVAHQFKF-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
CC[C@H](C)n1nccc1C(=O)NNc1ccc(C)cc1Cl	1347026811	YFIKGQDXQRCKOI-NSHDSACASA-N	306.797	3.573	50	20	DHGD	
O=C(N[C@H]1CCCOc2ccccc21)C1CCC(Cl)CC1	1351111944	GOVLQDILHFFFTC-PIMMBPRGSA-N	307.821	3.814	50	20	DHGD	
CNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	42665832	XQDMNNCFWIMULR-NTMALXAHSA-N	302.786	3.721	50	20	DHGD	
N#Cc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	45225420	JOLVDCQLFFSZBC-HNNXBMFYSA-N	320.483	3.889	50	20	DHGD	
CCC[C@@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	113423042	GGIBGPNAOQWZOM-GFCCVEGCSA-N	307.463	3.564	50	20	DHGD	
O=C(CCc1ccccc1Cl)NNc1c(F)cccc1F	118514797	CMLPPBVBNNPUCN-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
COc1cccc(CCC(=O)NNc2cccc3c2CCCC3)c1	120219012	FLGMENSUTVBUIE-UHFFFAOYSA-N	324.424	3.650	50	20	DHGD	
Cc1ccc(NNC(=O)c2c(-c3ccccc3)noc2C)cc1	120403607	KSDIELWLEFEUHP-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc3c2CC[C@@H](C)C3)cc1	120441935	FLNNSIGUDDBMAF-GFCCVEGCSA-N	300.427	3.938	50	20	DHGD	
O=C(CCc1c[nH]c2ccccc12)NNc1ccccc1Cl	120764766	QNZQXXBEIYBUHM-UHFFFAOYSA-N	313.788	3.897	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1C(F)(F)F)c1ccccc1	122675683	XMPDOGDTYOLSAK-NSHDSACASA-N	308.303	3.952	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2)cccc1-c1ccccn1	123625001	KNDBGZVUFYFEGK-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc2[nH]c3c(c2c1)CCCC3	154158516	ZXEZDXAXLVEBNF-UHFFFAOYSA-N	323.371	3.943	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(Cl)c(C)c2)c1	157841971	XDRVKYJYUPVORE-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](C)OC	175627232	QWPCWPVCFGCIHL-NSHDSACASA-N	306.431	3.748	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC[C@H]1CCCCO1	181594546	MEQKAGFZKRAVIK-ZIAGYGMSSA-N	317.520	3.776	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)CC2CCCC2)cc1	194519150	FTXSIRLNEFEBHH-SFQUDFHCSA-N	312.413	3.641	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1cc(C)ccc1C	269580040	IYCAPECUIMOXDS-UHFFFAOYSA-N	312.413	3.733	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ncccc2Cl)CCC1	276626377	OTHXOCGKEHCJAP-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)[C@H]1CCCOC1	281191614	RIUVFYZTRUDHMP-ALFJJAPYSA-N	309.287	3.608	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1c(F)cccc1F	727689416	OZUYIODZOJRTID-UHFFFAOYSA-N	316.351	3.828	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)Cc1ccc(Cl)cc1	729636979	SSXLELGSTZTDJA-UHFFFAOYSA-N	312.866	3.906	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=S)Nc1cc(C)ccc1C)C(C)C	729687875	DSABNTUNNWCLAU-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
CCOCC(=O)NN=C(CCC(C)C)c1ccc(Cl)cc1	731153934	MAIODEQOFKBEEK-UHFFFAOYSA-N	310.825	3.633	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2cccc3ccccc23)C1(C)C	741462589	KNVAZODEAUPWSH-KRWDZBQOSA-N	310.397	3.761	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@H]2CCCC[C@@H]2C)c(C)c1	743765198	YXQMHLWHEIEHBT-BBRMVZONSA-N	304.434	3.650	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CCC2(C)C)c(C)n1CC(C)C	747400247	OTCRXZDKZHPENW-YVLHZVERSA-N	313.445	3.679	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	747588676	PHUSMWGGZSNDQX-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)CCOc2ccccc2)c1	748362446	KUMAOIGQHNTXOT-MRXNPFEDSA-N	312.413	3.852	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)CCC(C)(C)C)c1ccccc1	754262240	MFAXPFCRADOBQE-HOCLYGCPSA-N	318.461	3.790	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2c(C)cccc2C)cc1	755576511	NYUKOJQNWZNPQK-GZTJUZNOSA-N	311.406	3.950	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761485912	KRMKVULEDKJNRA-JXMROGBWSA-N	323.361	3.846	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCCC3(C)C)n[nH]2)c1	764790363	QTZBKEFWWFOFSE-UHFFFAOYSA-N	324.428	3.989	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)C1CCCCC1	767715538	XJDWOKGHOMEIHX-GHRIWEEISA-N	313.397	3.768	50	20	DHGD	
C[C@H](CBr)CN(C)[C@@H](C)c1cc(F)ccc1F	770648278	RAJXANWNIYYPEU-ZJUUUORDSA-N	306.194	3.989	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1c(C)cccc1F	771707174	KDCWUMLOPCUEQW-DZGCQCFKSA-N	308.397	3.563	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1OC(F)(F)F)c1ccccc1	779204628	VKQVSLYSHPHFNE-NSHDSACASA-N	324.302	3.832	50	20	DHGD	
CCOc1ccc(C=NNC(=O)c2ccc(CC)cc2)cc1F	782152121	OLPDXIZDUQXNSH-UHFFFAOYSA-N	314.360	3.551	50	20	DHGD	
CSSCCNC(=O)NCc1ccc(C2CCC2)cc1	790828866	CGAIPOWZYOGFMJ-UHFFFAOYSA-N	310.488	3.765	50	20	DHGD	
CCCCSCC(=O)NNc1cc(Cl)cc(Cl)c1	791714573	KKNVTTRKQNHIID-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccccc1Cl	794779510	LKBXWPUAHFQRPI-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
N#C/C(=C/c1ccccc1C#N)C(=O)c1ccc2ncccc2c1	794964541	DJJVSJDIJLGYFX-ZDLGFXPLSA-N	309.328	3.896	50	20	DHGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)c1ccoc1	798229493	CWLDBHOEBSOZTR-GHXNOFRVSA-N	307.227	3.968	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCSC2)cc1	807595258	QIFMWXUKOFIFCO-CYBMUJFWSA-N	321.490	3.753	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21	813443709	HZOPQYYVATZREZ-GIIHOQTISA-N	324.330	3.675	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2cccc(Cl)c2)cc1	814996753	AGKYDVHTLPNHNG-UHFFFAOYSA-N	317.776	3.894	50	20	DHGD	
O=C(NN=C1CCC2(CCCO2)CC1)Nc1ccc(Cl)cc1	815003401	RZUMEALSSBXHCX-UHFFFAOYSA-N	321.808	3.941	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C)nc2C(C)C)c(Cl)c1	836936851	RUADOSIWVFVMBH-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CC(C)(CC#N)CNC(=O)NNc1cc(Cl)ccc1Cl	838754049	UAEGYBFRSCCDRE-UHFFFAOYSA-N	315.204	3.559	50	20	DHGD	
COc1cncc(CN(C)CCO[Si](C)(C)C(C)(C)C)c1	844345159	OLOIPKDTAIHCEH-UHFFFAOYSA-N	310.514	3.544	50	20	DHGD	
C=CCCn1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)nn1	849248210	NFTOZYGSCLBJLM-XYOKQWHBSA-N	313.430	3.672	50	20	DHGD	
CSCCCCCCNC(=O)NNc1ccc(C)c(F)c1	853977074	FTJLMXWBFWGYJL-UHFFFAOYSA-N	313.442	3.684	50	20	DHGD	
CCCC[C@H](C(=O)NNc1ccc(F)c(C(=O)OC)c1)C(C)C	857282225	RIDCSIHKKAFPGY-ZDUSSCGKSA-N	324.396	3.518	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(CCC(F)(F)F)cc2)n1	862522057	HAKVCAHMKMULHV-UHFFFAOYSA-N	323.318	3.642	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Cl)c1)c1ccc(O)cc1	916278098	GKDRCVOUYJEMPW-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccccc1OCc1ccccc1	916328598	RKRBZUVQVHBOEF-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CCC(=NNC(=O)c1ccc(CC)cc1)c1ccc(OC)cc1	916329300	CUSUNUIMIHDACO-UHFFFAOYSA-N	310.397	3.802	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)[C@H](Br)C(C)(C)C)c(C)o1	1337488001	NXSFLJYACYOENW-CABZTGNLSA-N	316.239	3.883	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNc1cccc(F)c1C(=O)O	1595698305	QZJSQTBSZHKNCW-GFCCVEGCSA-N	324.396	3.964	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1cccc(C(=O)O)c1)c1ccccc1	1602855889	HOXPAWVINMBWFX-QGZVFWFLSA-N	324.380	3.578	50	20	DHGD	
Cc1ccc(/C=C\CC(=O)NNc2cccc(C(=O)O)c2C)cc1	1607767850	YUXWSYVXGYGQJI-HYXAFXHYSA-N	324.380	3.548	50	20	DHGD	
O=C(Nc1cccc(COc2cccc(F)c2)c1)[C@H](F)Cl	2088604355	GPGMZASRAVQXBB-AWEZNQCLSA-N	311.715	3.878	50	20	DHGD	
CC(=O)N(c1ccc(C)c(C)c1)c1nc(C=C(C#N)C#N)cs1	7155096	NBFCLCRBDDUMJQ-UHFFFAOYSA-N	322.393	3.875	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc3ccccc3o2)cc1	11292588	BSAFOIWADBXGRP-SDNWHVSQSA-N	318.332	3.987	50	20	DHGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)c1cc2ccccc2o1	43876321	WIPKRWZIPCLNDU-LBPRGKRZSA-N	320.352	3.692	50	20	DHGD	
C[C@H](Oc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F	45481133	FLPOKTFLNOQNKQ-NSHDSACASA-N	324.302	3.616	50	20	DHGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1ccccc1F	153126096	MXDDKWHBRDBINN-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2[nH]nnc2c1	153323015	QLUGNHBVFTXSBI-NSHDSACASA-N	322.459	3.611	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(F)c1)c1ccc(Cl)cc1	154617842	OBESOVOLGJKUEZ-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccc(C#N)cc2)cc1	155165067	QVDLNDHSOIDREF-UHFFFAOYSA-N	307.397	3.542	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CCCc2ccc(C(C)C)cc21	155722937	MBOUTMABPIGOBC-XSVZSIDJSA-N	312.413	3.748	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(-c3ccc(F)cc3)n2C)cc1	158678677	KWLDYJQJDJNDLG-UHFFFAOYSA-N	323.371	3.897	50	20	DHGD	
CC(=O)c1cccc(NC(=O)NNc2cccc(Cl)c2)c1	170698346	IGWISVMKOZTHMA-UHFFFAOYSA-N	303.749	3.691	50	20	DHGD	
Cc1cc(NNC(=O)CC2CCC(c3ccccc3)CC2)ncn1	172284199	LYCJBMRPUMKXGH-UHFFFAOYSA-N	324.428	3.592	50	20	DHGD	
O=C(NNc1ccncc1)C1(c2cccc(F)c2)CCCCC1	183009591	ALHRWMMXWOALQS-UHFFFAOYSA-N	313.376	3.566	50	20	DHGD	
O=C(/C=C/c1cccc(OC2CCCC2)c1)NNc1ccncc1	183013420	VPUSXFZZKMKBOU-CMDGGOBGSA-N	323.396	3.560	50	20	DHGD	
COCCC(C)(C)CNC(=O)NNc1ccc(C(C)(C)C)cc1	185141365	NPPHTFALFJERMX-UHFFFAOYSA-N	321.465	3.673	50	20	DHGD	
CCC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	210883555	OIALNFXWTKGKCP-BLMOFCDVSA-N	320.392	3.957	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(C(F)(F)F)cc1Cl	294612760	IOTHIJUYYDAWNK-UHFFFAOYSA-N	320.525	3.892	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@H](C2CC2)C1	737423858	YQYUKSZFTCJGMG-OCCSQVGLSA-N	318.392	3.665	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)s1	741574417	ZPNUJDKLMAJIHP-UHFFFAOYSA-N	324.405	3.539	50	20	DHGD	
O=C(NN=Cc1cc2cc(F)ccc2o1)c1c[nH]c2ccccc12	741756608	IGQOIVFWUOZNRE-UHFFFAOYSA-N	321.311	3.817	50	20	DHGD	
O=C(NN=Cc1ccccc1OC1CCCC1)NC1CCCC1	743531409	VXFHWBVZAGKTBM-UHFFFAOYSA-N	315.417	3.584	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2csc(C(C)C)n2)c(C)c1	743764302	KZLCZRZHTNYXBW-UHFFFAOYSA-N	303.431	3.949	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)[C@H](C)c1ccccc1	746369909	BEORSFUDYMIPIC-HNNXBMFYSA-N	310.397	3.670	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1cc(C)ccc1C	748413316	WIIHAFOVJGZHBV-SFHVURJKSA-N	312.413	3.913	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1C[C@H]1c1ccc(F)cc1	748589281	VXUSGOFYPULEAQ-ZWKOTPCHSA-N	324.399	3.951	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1cccc(Cl)c1	749745651	UYDNCBQJVJZQNW-UHFFFAOYSA-N	300.789	3.813	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)Cc2ccncc2)C[C@H](c2ccccc2)C1	749861179	HWGDHKMUABNCSQ-MAUKXSAKSA-N	321.424	3.700	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccc(C)o3)o2)cc1	752173405	CTQIYJJOKUXVNX-UHFFFAOYSA-N	308.337	3.920	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=CC(C)(C)CCC#N)cc2C1	755577922	YJPBXXANNDCBBW-LBPRGKRZSA-N	317.458	3.918	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(C#N)c1)C(=O)c1c[nH]c2ccccc12	756264052	XPFDPNIDRLAUDO-ZSOIEALJSA-N	315.307	3.969	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2ccncn2)ccc1Br	758911992	LCCIILFGZKXFLF-GHXNOFRVSA-N	300.159	3.612	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2cccc(C(F)(F)F)c2)C1	759195832	IUNKOEKEACRATQ-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
N#C/C=C/CSc1nnc2c(Cl)cc(C(F)(F)F)cn12	763297371	FFHGKWWWICLTCQ-OWOJBTEDSA-N	318.711	3.573	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1ccc(F)cc1C	768310487	CUUHPORTKXPWKJ-XJKSGUPXSA-N	308.397	3.563	50	20	DHGD	
COc1ccc2c(c1)CN(/C(=C/C#N)c1ccc(F)cc1)CC2	771796359	OWQWDWBXIGSADK-UFWORHAWSA-N	308.356	3.757	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1ccc(Cl)nc1	776230571	ILPGQZPLSRWFTH-ZDUSSCGKSA-N	317.820	3.837	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]2CCC[C@H]21	781093233	GLVUGTHYFWBGDM-IJLUTSLNSA-N	302.256	3.587	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1ccc2ccccc2n1	782097222	JFVGYWXIDUQYPF-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1CCCCS1	783591971	SSAFUOPVSILFMY-NSHDSACASA-N	322.327	3.573	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccsc1Cl)c1ccccc1	790161222	CSTUGEYQHXSSBI-UHFFFAOYSA-N	306.818	3.829	50	20	DHGD	
COc1cc(NNC(=O)c2cc3occc3s2)ccc1Cl	790180606	SCYVXBMATMERIB-UHFFFAOYSA-N	322.773	3.913	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1/C=C\c1ccccc1	790879916	VDNFRTZDJGOBSW-KVPUOBJLSA-N	322.499	3.885	50	20	DHGD	
Cc1cccc(C(=O)NN=C(CCc2ccccc2)C(C)C)n1	794564820	CKNMYGUIUNFOER-UHFFFAOYSA-N	309.413	3.765	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)c1cccc(F)c1	799758482	NHNIHFAGRJDRLS-ZDUSSCGKSA-N	300.377	3.943	50	20	DHGD	
Cc1ccc(NC(=O)NN=C2CCC23CCOCC3)c(Cl)c1	799882072	BPMZKWAMVNSABH-UHFFFAOYSA-N	321.808	3.717	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)Nc1ccccc1	801984705	JUGSRPBTRRVIRW-CQSZACIVSA-N	305.422	3.836	50	20	DHGD	
CSSCCNC(=O)c1c[nH]cc1-c1ccc(F)cc1	803474865	FJKWCLRZRJXCQX-UHFFFAOYSA-N	310.419	3.562	50	20	DHGD	
OC[C@H](NCc1ccc(OCCCCl)cc1)c1ccccc1	811480382	WBVCMBLDRUQBNP-SFHVURJKSA-N	319.832	3.518	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)N(C)C1CCCCC1	812243208	GQAVQIYXHRRZII-UVTDQMKNSA-N	316.376	3.532	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc2cccnc12	812243827	APMULKDWQNPUMC-OQLLNIDSSA-N	316.320	3.911	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)c1	814733502	REAZWYZGCLSXHM-MRXNPFEDSA-N	321.424	3.806	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@H](Cc2ccccc2)C1	814843312	ANVKQODIXVCGHG-MRXNPFEDSA-N	322.408	3.824	50	20	DHGD	
C=CCC(F)(F)C(=O)NNc1c(Cl)cc(F)cc1Cl	815904009	ORKZCRBSZOMKPB-UHFFFAOYSA-N	313.106	3.787	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)N(C)CC(Cl)Cl	816629556	ROKICAQRTQLAGD-SRVKXCTJSA-N	310.265	3.622	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3nccc(C)c3c2)cc1	817915626	QIUDWOJGUUGTGO-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
COCCCCN(C)C(=O)CCCC[C@H]1CCSS1	841468007	LTPTWPUSUHUQKF-ZDUSSCGKSA-N	305.509	3.586	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H]([C@H]2CCCCO2)C1	852594169	AGIQFUHAESTTDE-WWODHKBWSA-N	314.404	3.971	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2cccc(C#N)n2)C1	853897430	GRXHZWLLUKJXNJ-AWEZNQCLSA-N	303.482	3.554	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NC[C@]1(C)C[C@@H]1Br	857387882	NZRUQNKEMQMYQO-JSGCOSHPSA-N	314.223	3.615	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)N2CCCC2)cc1	864366240	NZDJCWNNGCYAAE-AQTBWJFISA-N	324.424	3.835	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	915843935	XJJCCXHPNYMGDQ-LGMDPLHJSA-N	316.360	3.553	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1cccc(Cl)c1	915921858	MTXBWSAJCFFFFC-UHFFFAOYSA-N	315.804	3.601	50	20	DHGD	
CO[C@H]1CCCCC1=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	915952933	ZOFJLTBMFAYYRE-FZMZJTMJSA-N	320.458	3.548	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OC/C=C\Cl)c(C)n1CC(C)C	916614575	SMAGVOLXIVZFBN-JMWGHLCNSA-N	320.820	3.964	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1321107403	XIWURVZYAFHNAK-SXGWCWSVSA-N	317.348	3.778	50	20	DHGD	
CCCn1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(C)n1	1337680910	ATURPUMZLQIJBX-GXDHUFHOSA-N	305.385	3.552	50	20	DHGD	
CCC(=NNC(=O)c1cncn1-c1ccccc1)C1CCCC1	1344439277	SHYZTNKLUGYPID-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CC1(C)CCC[C@@H](C=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045030	HLFWFSGZSORIRI-GFCCVEGCSA-N	317.389	3.709	50	20	DHGD	
O=C(OCc1ccccc1)N1CCC[C@H]1c1cc(CCl)[nH]n1	12506833	URQFCSNAHYTTNF-HNNXBMFYSA-N	319.792	3.622	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)C(=O)c2ccccc2)c1	71958054	LZSPLBODHVSBGE-ATVHPVEESA-N	307.349	3.502	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@H](c2ccccc2)C2CCC2)c1	105249378	CTAVVSCKQUZHQN-GOSISDBHSA-N	320.396	3.726	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1cc(F)c(F)cc1F	115717998	DTUSBUDFYRVNLI-LLVKDONJSA-N	320.314	3.667	50	20	DHGD	
O=C(NNc1nc(C(F)(F)F)cs1)C1CCCCCC1	152800056	HFTXKSJRAQKOTR-UHFFFAOYSA-N	307.341	3.575	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccccc2)nn1-c1ccccc1	154732272	SKKUZWNGJMZVLQ-UHFFFAOYSA-N	320.396	3.753	50	20	DHGD	
CC[C@@H](NNC(=O)c1cccc2ncccc12)c1ccc(F)cc1	160896112	SFMUNHWTLGQJDS-QGZVFWFLSA-N	323.371	3.760	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cnc2ccc(F)cc2c1	179431441	ZDWUWIJYGLEGPJ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)nc1)NNc1ccccc1Cl	179486415	PLQMXIKOWDEWMK-SOFGYWHQSA-N	308.168	3.545	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1	181142267	LPOKSLVGLDOHDA-UHFFFAOYSA-N	319.364	3.557	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OC(C)C)cc1Cl	188337253	IALGDAMXVQNNPO-PKNBQFBNSA-N	308.765	3.510	50	20	DHGD	
COc1cc(/C=C(\C#N)c2cnc3ccccc3n2)cc(OC)c1	191350629	ZWRGCXDGOOHYNO-VGOFMYFVSA-N	317.348	3.711	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ncc(C(C)C)s1	192399601	KZONBLFMKPHGOV-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)NCCc1ccccc1	206487370	JAIQZKLVUAMCKM-OAXNYFJGSA-N	302.377	3.509	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1	255144761	QPUMHFKATLGXID-WAPJZHGLSA-N	323.192	3.804	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	263706922	VLPCOYFXHXKDLT-ZMTLZGASSA-N	309.369	3.607	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCC2)cc2cccnc12	490841592	JADBARWZJJCJCI-WJDWOHSUSA-N	305.381	3.509	50	20	DHGD	
CCc1cc(O)ccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	491157914	BIAAUUWDUPMWEJ-NTEUORMPSA-N	310.328	3.639	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)NCCc1ccccc1	588600662	CAUBHXXQBSBJHI-JYRVWZFOSA-N	316.813	3.667	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(O)c(F)c1	728429768	PCFODUUJJCDFCO-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
COc1csc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)c1	747106522	VBGGJWFLAZIANR-UHFFFAOYSA-N	307.327	3.501	50	20	DHGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)c1ccccc1F	747743203	CRSDSIKUUWIOML-UHFFFAOYSA-N	319.339	3.652	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cnc2ccsc2c1	748773220	DDEFMZVRJVPGLV-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(F)cc2F)cc1	754056782	YCLBODBENPHQMW-OVCLIPMQSA-N	313.303	3.924	50	20	DHGD	
CN(C)c1ccccc1NC(=O)[C@H](Br)C(C)(C)C	767031093	SLCDBMCHLATMDN-LBPRGKRZSA-N	313.239	3.501	50	20	DHGD	
C[C@@H](CC(=O)N1CC=C(C#N)CC1)c1cccc(C(F)(F)F)c1	767177760	NAVLFAPHUBWVRC-LBPRGKRZSA-N	322.330	3.881	50	20	DHGD	
C[C@H]1CCC[C@@H](OCC(=O)NNc2c(F)cccc2Cl)C1	770198478	TVNLARYEKPVDNP-WDEREUQCSA-N	314.788	3.518	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)C[C@@H](C)CC(C)C)c1	779759909	KHRCEVOTGBYANZ-ZDUSSCGKSA-N	320.433	3.882	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc2cnccc2c1	780005655	VYPYWVFBMHETLR-PDGQHHTCSA-N	307.397	3.838	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	784448694	OLTUGBCLGWKVAG-UHFFFAOYSA-N	318.339	3.753	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNC(=S)Nc1cccc(C)c1	784591642	SBKLVVANELZEQY-CYBMUJFWSA-N	321.490	3.919	50	20	DHGD	
CCOc1ccccc1/C=C(\C#N)C(=O)NCc1cccc(C)c1	786049649	IXEZNWVJYFQIMB-LDADJPATSA-N	320.392	3.617	50	20	DHGD	
CSC1(C(=O)NNc2cc(Cl)ccc2Cl)CCC1	787459932	DKAYOYZAEAAOQY-UHFFFAOYSA-N	305.230	3.722	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccnc2Cl)c(F)c1Cl	790873828	OGKAMZFXCIZPOV-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccnn2C(C)C)c1C	794874331	XZMKISWTIXBHEM-WJDWOHSUSA-N	322.412	3.858	50	20	DHGD	
C=C(CBr)COC(=O)C[C@@H](C)c1ccc(F)cc1	795512155	MFUQPSLHQKYLBM-LLVKDONJSA-N	315.182	3.814	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc(Br)cc1	795570070	QFQPEJQFDURPNI-GARZTLJTSA-N	320.186	3.913	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)c(OC)c(C)c1	799757461	XTKBTXQPPIHJRS-UHFFFAOYSA-N	312.413	3.940	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)COCc2ccccc2)c1	800689097	WJKCAMJTWCDHNY-UHFFFAOYSA-N	312.413	3.681	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNc2ncccc2F)c1	806229977	BLUAGGFXMYFENA-LLVKDONJSA-N	318.352	3.547	50	20	DHGD	
COCCN(CCO[Si](C)(C)C(C)(C)C)Cc1ccccn1	808759086	LSUKDNPTTKNXNS-UHFFFAOYSA-N	324.541	3.552	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CCCSC1	810562625	LSMIPIHBFSPJEC-MRVPVSSYSA-N	305.230	3.580	50	20	DHGD	
Cc1ccc2sc(C(=O)NNc3ccc(C#N)cc3)cc2c1	810681406	IPMXKTPKTYFYIX-UHFFFAOYSA-N	307.378	3.838	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nc(Cl)cs1	812768329	OPUYNEVGAOTOST-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCC1	822556503	QAVVSGUIXRTPEC-UHFFFAOYSA-N	311.769	3.518	50	20	DHGD	
CCOC1CCC(=NNC(=O)[C@@H](CC)c2ccccc2)CC1	853306733	WUKLRCRAUCQYRE-DJNXLDHESA-N	302.418	3.632	50	20	DHGD	
CC[C@H](Oc1ccccc1C(C)C)C(=O)NCCCSC#N	854362091	AEESZTTYFFOYDS-HNNXBMFYSA-N	320.458	3.688	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2cc(F)cc(Cl)c2)c1C	855618874	USWBLABEKPHKSD-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
C[C@]1(CNC(=O)c2csc3ccccc23)C[C@@H]1Br	857400739	CKPXOIDBVSZEJM-GXTWGEPZSA-N	324.243	3.805	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)cnc1Cl	879869413	NTAWWSVPMOKPJE-UHFFFAOYSA-N	303.793	3.671	50	20	DHGD	
O=C(NN=Cc1cccs1)c1cc2c(s1)CCCCC2	916369366	CESVMMYSUZDZLP-UHFFFAOYSA-N	304.440	3.842	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)C(=O)c2ccccc2)cc1	916603705	GCLZZBGJBTVAGT-BRYHAGSVSA-N	319.360	3.717	50	20	DHGD	
CCC(=O)NN=C(CC)CCc1ccc(Br)cc1	921138739	AYKJNXPSDMFXKS-UHFFFAOYSA-N	311.223	3.674	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](OC2CCC2)CC1	1120684259	MNBCYDJIEBGJEX-KRWDZBQOSA-N	321.848	3.989	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1nccnc1C1CCC1	1342783719	KYKJCZUSBDEHAG-CYBMUJFWSA-N	316.449	3.794	50	20	DHGD	
Cc1oc(C(=O)O)cc1/C=C(\C#N)c1nc(C(C)C)cs1	1608036458	SAWSEVOBRXCAGD-NYYWCZLTSA-N	302.355	3.930	50	20	DHGD	
O=C(NNc1ccccc1)Nc1cc(C(=O)O)c2ccccc2c1	1608483334	WBQBTAFQCXCDNL-UHFFFAOYSA-N	321.336	3.687	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045099	PFJNVIRENPFMDO-NEPJUHHUSA-N	317.389	3.709	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1	17024063	IBWUYGNDKSALEP-UHFFFAOYSA-N	302.377	3.841	50	20	DHGD	
O=C(Cn1ccc2ccc(Cl)cc21)NNc1ccc(F)cc1	53323932	ROLCHXNYXBVPQI-UHFFFAOYSA-N	317.751	3.577	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc(F)c(F)c1F	78664483	RAYVPHAOPLFHPI-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
O=C(NNc1ccc(Br)cc1Cl)C1=CCCC1	127278022	UPSARZNNNIRTEH-UHFFFAOYSA-N	315.598	3.656	50	20	DHGD	
COc1cc(C)ccc1NC(=O)NNc1ccc2ccccc2n1	157883350	XGSJXGRGRMYJKC-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
I[C@H]1CCCCCC[C@@H]1OCC1CC1	158085450	ZBHRIBVGHPUBCJ-RYUDHWBXSA-N	308.203	3.939	50	20	DHGD	
O=C(COc1cc(Cl)cc(Cl)c1)NNc1ccccc1	175179495	SXPBHAKZVPIAOT-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1cccnc1	181405932	IRGICLQYGJZORJ-ZDUSSCGKSA-N	312.417	3.766	50	20	DHGD	
CCc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(O)cc1	194350993	NCCLGZTZZBVZKN-WJDWOHSUSA-N	306.365	3.809	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1cc2cc(C)c(C)cc2o1	255838126	LSCNCGJGSQDVOU-MGMWDDNKSA-N	313.353	3.535	50	20	DHGD	
COc1ccc(NNC(=O)C[C@@H](C)Cc2cccc(F)c2)cc1	267010281	OGKCJHJPXAVEDT-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C[C@H]1c1ccc2ccccc2c1	294672553	MGIFHOROUWQQKW-UONOGXRCSA-N	308.208	3.863	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	588559632	UOWFUXFZIHGDIQ-UVIKPUKZSA-N	305.761	3.950	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)CNc1ccc(C)cc1	727254076	NDXKBNIMWZDABX-OAHLLOKOSA-N	301.434	3.869	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC(C(C)C)CC2)cc1OC	729633412	MXYXXOLXDWUGCO-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2c(C)cccc2C)cc1	738581020	VMPMMSCWINIGII-GZTJUZNOSA-N	321.376	3.962	50	20	DHGD	
Cc1ccoc1C=NNC(=O)CC12CC3CC(CC(C3)C1)C2	743426567	SFQIUVFBFRLXEP-UHFFFAOYSA-N	300.402	3.645	50	20	DHGD	
O=C(CCCC1CCCCC1)NNC(=O)CCc1ccccc1	749803644	KPHXDCRQFNKKIS-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
CC(C)Cc1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1	755030673	CLSRASSTMPKPJE-GDNBJRDFSA-N	311.410	3.887	50	20	DHGD	
CC(C)n1ncc2cc(/C=C(/C#N)c3ccncn3)c(Cl)nc21	758913556	RUKQOVWTXHNHTD-XGICHPGQSA-N	324.775	3.520	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H](F)C(F)(F)F	764119187	QWNFQMHUUZJZMX-CYBMUJFWSA-N	312.266	3.756	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)CC2	767984094	VIQOOCJUPQPJOU-UONOGXRCSA-N	324.262	3.908	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1cccc(Cl)c1	771286662	LJOPBTBMVVOPLY-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
N#C/C(=C/c1nc(Cl)cs1)C(=O)c1cc(F)cc(F)c1	773172321	QINWPJGPYADVIZ-BAQGIRSFSA-N	310.712	3.865	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)c2csc3ccccc23)cc1	775223277	VDAOUGKGLZGSOY-UHFFFAOYSA-N	324.405	3.539	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)CC(C)C	777884547	PNRUGKHYTXNCPC-RAXLEYEMSA-N	301.773	3.874	50	20	DHGD	
C[C@H](CCc1ccccc1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	784980124	JXRWISPKCHJUPR-COYFKBPASA-N	322.383	3.870	50	20	DHGD	
Cc1cnn(CCCCCOC(=O)/C(C#N)=C/c2ccccc2)c1	785350502	ILMWAXZAQPRIEZ-LDADJPATSA-N	323.396	3.512	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ccc(C(=O)OCC)c(C)c1)CC	794648854	JERVFHILAXCZEY-OHIOQWIQSA-N	316.401	3.527	50	20	DHGD	
C=C[C@@](C)(CCOC)C(=O)NNc1c(C)cccc1C(C)C	794953851	PYDJXHKATZJLPS-SFHVURJKSA-N	304.434	3.790	50	20	DHGD	
C=C(CBr)COC(=O)CCSc1ccccc1	795337883	STEZYNFOMQSPFD-UHFFFAOYSA-N	315.232	3.663	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(C2CCC2)c1	798983723	YLULNAPMRQXCCM-UHFFFAOYSA-N	311.341	3.619	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1C#N	799704913	CAUPQKAMAANBBR-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C(C)(C)C1CC1	806756074	SJKIIXSVKAPVBS-UHFFFAOYSA-N	319.474	3.564	50	20	DHGD	
CC(C)N(C)C[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	811936889	MPCDUCRADCMMIW-KGLIPLIRSA-N	318.552	3.545	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2cc3ccccc3o2)cc1	814999657	IUYQIUJVALYFHZ-UHFFFAOYSA-N	323.352	3.987	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cnn(C2CCCC2)c1-c1ccccc1	817341349	GVNGIGXQGHWDFQ-PTNGSMBKSA-N	321.380	3.745	50	20	DHGD	
COc1ccc(CCCCCC(=O)NCC(Cl)Cl)cc1	837649119	NKQURKYJLYFOCX-UHFFFAOYSA-N	318.244	3.718	50	20	DHGD	
Cc1occc1/C=C(\C#N)C(=O)Nc1nc(C(C)(C)C)cs1	840732942	JKRDCHIUKQIHBM-KPKJPENVSA-N	315.398	3.888	50	20	DHGD	
C=CCCC(CC)=NNC(=O)CSc1ccccc1[N+](=O)[O-]	842566941	OTWMZARZNXAWBC-UHFFFAOYSA-N	321.402	3.535	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnccc1C(F)(F)F	848037299	VUFKGYITNKGRFH-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCc2ccccc21	855740671	ZPRMUDFENWKGNQ-CHWSQXEVSA-N	310.235	3.600	50	20	DHGD	
Cc1ccc(NNC(=O)CC[C@H]2CC2(Cl)Cl)cc1F	856233538	QNHWNFDWPNBMMN-VIFPVBQESA-N	305.180	3.551	50	20	DHGD	
C[C@@]1(CNCc2ccc(F)c3cccnc23)C[C@@H]1Br	856808523	ZXAYRRNCYNOBBE-ZFWWWQNUSA-N	323.209	3.637	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1cc(Cl)ccc1F	871271174	GEBFQVHHUZZSGC-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(C)C)c1C	912567666	NQUUOOLWDHOCPI-PDGQHHTCSA-N	315.461	3.974	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cc2c(s1)CCC2	916315003	CTTMLNRNZDWONM-RFGFWPKPSA-N	314.454	3.779	50	20	DHGD	
CC1=CC(=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)CC1	916335821	QPTZGXSHANTBHE-AWEZNQCLSA-N	308.381	3.819	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)Cc2ccc(F)cc2)cc1	916352328	ZZRPOVCVHXQMMT-UHFFFAOYSA-N	316.401	3.631	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1ccccc1O	917531941	JQMGOIPSRYEGPF-UHFFFAOYSA-N	310.397	3.767	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2c(F)cccc2F)n1	920386739	DVDKSADTJJEFFL-RMKNXTFCSA-N	320.320	3.662	50	20	DHGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)[C@H](c1ccccc1)N(C)C	1123691296	IUGJMPQOCQDXRJ-LHUBUQBQSA-N	322.880	3.592	50	20	DHGD	
CN(N=Cc1ccc(-c2cc(Cl)ccc2Cl)o1)C(N)=O	1324688055	SUGGOXOHCUCLPK-UHFFFAOYSA-N	312.156	3.598	50	20	DHGD	
O=C(N[C@H](C1CCC1)[C@H]1CCCO1)c1cccc(CCl)c1	1339118533	WMTSSEYKHOCNEX-HZPDHXFCSA-N	307.821	3.503	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776682910	MFYNUFZRJJAWCC-BJMVGYQFSA-N	307.296	3.575	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(OCC)cc1	5645640	GYSHCXQBQOLEHR-DTQAZKPQSA-N	300.402	3.689	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)cc2)cc1	5719398	ONXVBRXFDLULLG-FOWTUZBSSA-N	306.365	3.803	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1c(C(C)C)nn(C)c1Cl	44025849	STVPHCDRDMTTBF-YRNVUSSQSA-N	317.776	3.888	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)NC2CC2)o1	114991165	OJGMAUWWVKZGPF-XFXZXTDPSA-N	310.328	3.580	50	20	DHGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)NCc2ccccc2)c1	120836660	SXMYBIUEYCOFRC-WQRHYEAKSA-N	320.392	3.697	50	20	DHGD	
O=C(/C=C/c1ccco1)NNc1c(Cl)cc(F)cc1Cl	124182526	VBOJEFHDXJAZGU-ONEGZZNKSA-N	315.131	3.882	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)cc(C)c1F	126967868	NFYLOENLZJZOHC-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)cc2C)cc1	153975992	AEMZFAWMFDUNCF-PTNGSMBKSA-N	322.364	3.645	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CCCCO1	159356720	MZHMENVUWUAETE-JTQLQIEISA-N	323.607	3.659	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	161063391	MGIPZKWAHBXYQA-MNOVXSKESA-N	318.314	3.946	50	20	DHGD	
O=S(=O)(Nc1ccsc1)c1ccc(CCCCl)cc1	174252713	MSZKLJXXCIRMRG-UHFFFAOYSA-N	315.847	3.720	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccccc2OC(F)(F)F)c1	190176807	NGRILGQPTWSPLQ-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(N2CCCCC2)s1	254448113	CRDMYOUOPLENNR-UHFFFAOYSA-N	309.435	3.597	50	20	DHGD	
Cc1cc(C(=O)NN=C/C=C\c2ccccc2)c2ccccc2n1	254572138	DSUQRHXVZHLWQK-NGLDULLHSA-N	315.376	3.972	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC	280112798	VWRKVCNNLRENBL-RAXLEYEMSA-N	317.385	3.625	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ncccc1C(F)(F)F	281684624	FNFUVMMELHWNRH-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
Cc1ccccc1[C@H]1CC[C@@H](CI)OC1	536957910	LTSRRKKWTLZYNK-RYUDHWBXSA-N	316.182	3.693	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1nc(C)sc1C	727689545	SVROZXYQFHMBLS-UHFFFAOYSA-N	315.442	3.623	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)C[C@@H](C)CC(C)C)cc1C	727864639	RAZPJJDILGDTJE-LBPRGKRZSA-N	321.490	3.693	50	20	DHGD	
CCC[C@H](Cc1ccccc1)NC(=O)NNc1ccc(F)cc1	727946008	XURBAEOXONXHKQ-QGZVFWFLSA-N	315.392	3.863	50	20	DHGD	
CCC(C=NNC(=O)Cc1nc(-c2ccccc2)cs1)CC	730568608	RFEZJXSZRVQSTI-UHFFFAOYSA-N	315.442	3.891	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)C(C)(C)c1ccccc1	731150167	BHOFZHJBNOGUPD-UHFFFAOYSA-N	324.424	3.822	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cccc3ncccc23)s1	731153645	WQOLUWAMUOAYOF-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)c1ccc(CC)cc1	735244563	FWUQILLQHPAISL-HNNXBMFYSA-N	304.434	3.617	50	20	DHGD	
CN(NC(=O)NCC(C)(C)Cc1ccccc1)c1ccccc1	735325125	MCKRGMJJAFWVIW-UHFFFAOYSA-N	311.429	3.606	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1)c1cc(Cl)ccc1OC	736429542	WZCDEUQBTAQKPB-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1Br	743438576	NPMGOIVIBPKMHF-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c(F)c1	747589658	JPOZBSMVKVWDSK-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@H]1C(C)C	747752332	ZUQIRZLAWVQWON-LBPRGKRZSA-N	308.809	3.891	50	20	DHGD	
Cc1oc(-c2ccccc2)nc1C(=O)NNc1ccccc1F	748055825	PFXUTJYVSLBWAJ-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)c1c(C)nc2ccccn12	748245346	YAFHOARHXURHAL-LBPRGKRZSA-N	300.406	3.575	50	20	DHGD	
Cc1noc(C)c1N(C)C(=O)CCCC[C@@H]1CCSS1	748554569	RFYCQIWVKTXJGY-GFCCVEGCSA-N	314.476	3.968	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2ccc(N)cc2)C[C@H](c2ccccc2)C1	749853040	BGFIOFGHCYZZSB-WMLDXEAASA-N	321.424	3.958	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CC(C)C2)c1C	752450940	PKROXRTVMOOCBZ-BOPFTXTBSA-N	313.445	3.727	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C12CCC(CC1)C2	752634229	KLAUKHFIEKIVOL-UHFFFAOYSA-N	323.234	3.781	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(-c3ccccc3)nn2)C1	754467539	OEGXJLBNNNDJNV-LSDHHAIUSA-N	324.428	3.803	50	20	DHGD	
O=C(/C=C\c1cccnc1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421211	GOBUGLHZPAMTFH-YFHOEESVSA-N	320.304	3.762	50	20	DHGD	
Cc1cc(C(=O)NN=C[C@@H](C)CCC#N)c(C)n1-c1ccccc1	765993679	PZEADFSYQLNYSU-AWEZNQCLSA-N	322.412	3.750	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(C)c(Br)c1	767877510	FCYZFQRNOVYXSM-MDWZMJQESA-N	321.218	3.581	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2ccc(C)cc2C)c1	770983185	LDQBJLBJGVOEGX-VCHYOVAHSA-N	321.376	3.962	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC[C@@H](C)Cc1cccs1	771325768	FPXIAZXEKLWPKY-NSHDSACASA-N	321.421	3.701	50	20	DHGD	
CSc1cc(/C(C#N)=C\C2=Cc3ccccc3OC2)ncn1	773152489	XZPPTUMAZWUWBC-AUWJEWJLSA-N	307.378	3.581	50	20	DHGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)c1cccc2ncccc12	773208908	SQSAQZROMXFJBC-YOEHRIQHSA-N	307.397	3.943	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc2cc[nH]c2n1	779535643	CYXSLJPVRVXYOS-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCc2ccc(OC)cc21	799755513	MILFXVTXDYERSU-QGZVFWFLSA-N	324.424	3.739	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccsc1	801439601	AHXVESALURAXDG-KSSSLANASA-N	300.358	3.672	50	20	DHGD	
CC[C@H](CC(=O)NNc1nccnc1C1CCC1)c1ccccc1	805463166	LOSUAYBZLXOOBS-CQSZACIVSA-N	324.428	3.771	50	20	DHGD	
Cc1cnccc1CCNCc1ccc(OCCCCl)cc1	811485704	YDHZPRPVVSEZOW-UHFFFAOYSA-N	318.848	3.730	50	20	DHGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1ccccc1	814685910	QTCNENZMEPWFIP-HKUYNNGSSA-N	322.408	3.755	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1cc(C(F)(F)F)ccc1F	819428089	VEQHLHALMUQQPO-UHFFFAOYSA-N	304.287	3.890	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCC(C)(C)C1	840547299	KLCKZKXVIPGSOX-JTQLQIEISA-N	310.829	3.523	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)c1ccsc1	840548138	BUBHXPUMVVTKLM-VIFPVBQESA-N	324.837	3.562	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	841635751	PETVLJHQVBAVSS-CYBMUJFWSA-N	321.808	3.683	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3c(O)cccc32)C[C@@H]1Br	851978390	LNCRLKTUJOOSLQ-AEGPPILISA-N	310.235	3.533	50	20	DHGD	
C/C(=C/C(=O)NNc1nc2ccc(Cl)cc2s1)C1CC1	856234397	XDMCHGNTHFHEAV-VURMDHGXSA-N	307.806	3.749	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1nc2ccc(Cl)cc2s1	856234839	JDFGDVCGZUPPQG-UHFFFAOYSA-N	309.822	3.995	50	20	DHGD	
C[C@@H](NNC(=O)c1ccc(C2CCCCC2)cc1)C(F)(F)F	862305472	OFUDHFMZZNJACB-LLVKDONJSA-N	314.351	3.920	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1cccc(F)c1Cl	869388319	GTUUSRAUSOVZMP-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cncn2CC)cc1	901426291	FUMLEVUSBKAGEE-FBKCMUNRSA-N	322.412	3.962	50	20	DHGD	
Cc1cc(O)nc(NC(=O)CCCC[C@@H]2CCSS2)c1	910598602	YKQKBKIMUUCIOQ-LLVKDONJSA-N	312.460	3.748	50	20	DHGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1nc(-c2ccccc2)no1	916132151	VZPWNTKJCRAJQY-UVTDQMKNSA-N	318.292	3.709	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCc2cc3ccccc3s2)c1	920811026	AMKUVGBRFXFURE-UHFFFAOYSA-N	322.393	3.599	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc(N3CCCC3)cc2)ncn1	1320847913	KEWALIVODXTEMI-XNTDXEJSSA-N	322.437	3.863	50	20	DHGD	
CC(C)c1ocnc1COC(=O)[C@@H](Br)C(C)(C)C	1323988305	IYFYQKFJDUPBPA-LLVKDONJSA-N	318.211	3.651	50	20	DHGD	
Cc1ccnc(NNC(=O)Nc2cc(Cl)ccc2Cl)c1	88561266	XKVZIGPIIMFFMI-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)c(C)c1	111677316	INMSXRFESRSIIQ-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1c(F)cccc1F)C1CCCCC1	112224684	PJXORCZSXMDYGW-BENRWUELSA-N	304.340	3.663	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc2cc(F)ccc2[nH]1	120289228	FWXSKZKNPWSUEC-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@@H]1CC1(Cl)Cl	133190066	VSFYXWWAIFJAJW-YFKPBYRVSA-N	313.999	3.630	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(F)cc(F)c1	158718266	LPOLCCZVNAOHQC-WUXMJOGZSA-N	314.291	3.519	50	20	DHGD	
N#CCCCCNC(=O)NN(Cc1ccccc1)c1ccccc1	171449633	LXDHIKODWXZRSC-UHFFFAOYSA-N	322.412	3.601	50	20	DHGD	
CC[C@@H](NNC(=O)c1cccc(Cl)c1)c1ccc(F)cc1	172618387	MAGLTFDFWOBQKA-OAHLLOKOSA-N	306.768	3.865	50	20	DHGD	
CS[C@H](C(=O)NNc1ccc(Cl)cc1)c1ccccc1	178846892	ALMWONOSKFYBSQ-AWEZNQCLSA-N	306.818	3.887	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](CC1CCCC1)c1ccccc1	178891014	RRZHJYDRGHMVBH-UMADGWCESA-N	312.413	3.868	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1	193257342	ZRHKTPBESRXRCP-DTQAZKPQSA-N	312.413	3.783	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1	254595019	GVKMEWYDSODFQM-UHFFFAOYSA-N	304.321	3.944	50	20	DHGD	
CC[C@H](C(=O)N1CC=C(C#N)CC1)c1cccc(C(F)(F)F)c1	271104885	KYIXQMUXNOSXNU-HNNXBMFYSA-N	322.330	3.881	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2cccc(Cl)c2)c1CC	277133465	UNISKFFKLQJOAH-UHFFFAOYSA-N	320.824	3.656	50	20	DHGD	
CCCn1nc(C)c(C(=O)NNc2c(C)cccc2CC)c1C	281849283	UHYCISXPMJQJGC-UHFFFAOYSA-N	314.433	3.538	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCC(=O)c2ccccc21	286056193	UJUKRKAZIAIPNL-QGZVFWFLSA-N	322.408	3.761	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(Cl)c(Cl)c1O	727651241	OPXAQRRNOCCCLR-UHFFFAOYSA-N	303.189	3.585	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ccc(OC)cc2)cc1	729273873	IVDJQURNJVWMHZ-UHFFFAOYSA-N	316.426	3.705	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C[C@H](C)CC(C)(C)C)c1ccccc1	731998941	IGIGPQNKNJYQQY-GOEBONIOSA-N	318.461	3.790	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)c1ccccc1F	742472731	QDNKLGNIYRCHBX-GOSISDBHSA-N	322.424	3.973	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2cccc(Cl)c2)c(C)c1	743764896	UFIOAOUDFALGQZ-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
CCCC[C@@H](CCC)NC(=O)NNC(=O)c1ccc(CC)cc1	748979928	ZYJWPKWKUYEPEM-MRXNPFEDSA-N	319.449	3.552	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)C(F)(F)F	761766611	LLIIFNOEKLJINR-JTQLQIEISA-N	324.302	3.662	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1ccnc(Cl)c1	766747299	XBLUGMZBRZNANE-SNVBAGLBSA-N	320.614	3.588	50	20	DHGD	
C[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1(C)C	768451565	TYMIQTAAXQNUQK-GHMZBOCLSA-N	304.272	3.691	50	20	DHGD	
Cc1oc2ccccc2c1CNC(=O)NNc1ccc(F)cc1	768529225	PTYZWVHCAZHXNG-UHFFFAOYSA-N	313.332	3.707	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)c1c(F)cccc1F	770406999	HKCHAQWXPWXVEO-DTWKUNHWSA-N	321.161	3.643	50	20	DHGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	775884161	JOHMLKLPSOVPHZ-JSGCOSHPSA-N	316.323	3.711	50	20	DHGD	
Cc1cc(OC(=O)CCc2ccc3[nH]ccc3c2)ccc1[N+](=O)[O-]	776080374	IKXZUFXULXFUAT-UHFFFAOYSA-N	324.336	3.923	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2ccsc2[nH]1	777477217	HFYHDFRQSSVWGZ-UHFFFAOYSA-N	322.393	3.843	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)OC1CCCCC1	777872357	RMOFIASCMDOMDZ-WQLSENKSSA-N	318.304	3.517	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccccc1OC(F)(F)F	779201705	USSQVQVGMHNZQT-KTKRTIGZSA-N	302.296	3.775	50	20	DHGD	
N#CC1=CCN(C(=O)c2sccc2-c2ccc(F)cc2)CC1	780690663	ZIXAITNXPRBSDV-UHFFFAOYSA-N	312.369	3.850	50	20	DHGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	787017097	ZPYVKAMERGQCID-BPKRLAOOSA-N	324.424	3.726	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)c1cnc2ccccc2n1	790231355	QHBXEYVKWZKHCK-KPKJPENVSA-N	320.283	3.741	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)C1CCC1	790436409	AJTUJLYAJSOCKK-MRVPVSSYSA-N	302.205	3.808	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(OC)cc1Cl	797328046	JRPUOTUVKKAESC-GXDHUFHOSA-N	320.820	3.952	50	20	DHGD	
CN(CCOC(C)(C)C)Cc1ccc(OCCCCl)cc1	811464343	DTSPPOCHMYYESI-UHFFFAOYSA-N	313.869	3.941	50	20	DHGD	
Cc1cc(CCNC(=O)NN(C)c2ccccc2)ccc1Cl	812916729	ZQCNUZBTLAYXCH-UHFFFAOYSA-N	317.820	3.542	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1c(C)noc1C	813045740	CJKGCDAMTZROFE-UHFFFAOYSA-N	316.405	3.550	50	20	DHGD	
Cc1ccoc1CNC(=O)NNc1ccc(Cl)cc1Cl	813841199	JECDBKZIVLAVGB-UHFFFAOYSA-N	314.172	3.721	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(C)nc1C	815005383	YLSRJDUDBONMDA-UHFFFAOYSA-N	316.792	3.898	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc(F)ccc1Cl	815856158	YYOFNUDCJBBZLK-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	817007213	QXNAYRGHTUYODA-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc3oncc3c2)cc1	821028505	SWSKXGFTFBQHNS-ZSOIEALJSA-N	303.321	3.682	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1nc2c(C)cccc2s1	828362772	PXBFAMHHRFFVIY-JTQLQIEISA-N	309.460	3.580	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CCO[C@@H](C(C)C)C2)ccc1Cl	830095580	AMYDCZOKLZSBFR-SWLSCSKDSA-N	310.825	3.543	50	20	DHGD	
C=CCC1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCCCC1	830850829	FLBAUFMBZJNJMM-UHFFFAOYSA-N	321.352	3.704	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@](C)(O)c2ccccc2)cc1	837053544	UJPOKBSXDORMBY-IBGZPJMESA-N	312.413	3.551	50	20	DHGD	
C[C@@H](CN(C)/C(=C/C#N)c1ccc(F)cc1)C(=O)OC(C)(C)C	839200628	XYVCFJVEXVTVJF-RKPNYOAGSA-N	318.392	3.600	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)C12CC3CC(CC(C3)C1)C2	853268028	LTZULTSYCPAFCD-UHFFFAOYSA-N	301.434	3.635	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cc2cc(Br)ccc2o1	853290973	RBQIQNOZGGDBOL-UHFFFAOYSA-N	323.190	3.692	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(C)c(F)c2)CCCC1	856230403	OMYAISNJWLLTHU-UHFFFAOYSA-N	308.397	3.564	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)CC(C)(C)O3)cc1F	856232538	UUDMDLGTXKFTQD-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
CC[C@](C)(NC[C@H](CBr)C1CC1)c1nccs1	859194457	GSHALJCJNZISQI-AAEUAGOBSA-N	317.296	3.779	50	20	DHGD	
CC(C)CC=NNC(=O)COc1ccccc1Cc1ccccc1	863965129	HFAHNBBSQFEBJL-UHFFFAOYSA-N	324.424	3.804	50	20	DHGD	
N#CC1=CCN(C(=O)/C(F)=C\c2ccc(C(F)(F)F)cc2)CC1	901264839	CETBXBKTLZAHNK-NTEUORMPSA-N	324.277	3.698	50	20	DHGD	
CCCSCC(C)=NNC(=O)c1nc2ccccc2s1	901276301	KQOBVDYUNQPNEA-UHFFFAOYSA-N	307.444	3.545	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC2CCCC2)c1C	912716165	LSLVRJFFHZWEKR-ATVHPVEESA-N	313.445	3.871	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CCC(=O)[C@H](C)C2(C)C)ccc1Cl	928340061	QFBIFJLERDOLFK-WCQYABFASA-N	322.836	3.733	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1319144227	ABYDLSACXHMRND-KABGHOERSA-N	308.425	3.777	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)ncn2C	1319556146	DBTYFFUKIVBLFN-DHDCSXOGSA-N	301.349	3.672	50	20	DHGD	
CC(C)n1cc2c(n1)[C@@H](NC(=O)C1CCC(Cl)CC1)CCC2	1348213198	QQSADDRFMLLGNH-ZALBZXLWSA-N	323.868	3.755	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cccc(C(=O)O)c1F	1777465306	LXZUYSVXRYVOPT-UKTHLTGXSA-N	309.296	3.622	50	20	DHGD	
N#CC(C#N)=CNC[C@H](c1ccccc1)c1c[nH]c2ccccc12	13142949	QQYGUWMNPHVTKI-GOSISDBHSA-N	312.376	3.820	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccco1	16881043	AMFQYLZGJPESPU-JLHYYAGUSA-N	320.348	3.812	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)c2cccc(OC)c2)c1	44025820	YRYCFWLKEAMKET-YBEGLDIGSA-N	307.349	3.884	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2cccc3c2CCCC3)c1C	120204480	QEBJHUSKBUEALP-UHFFFAOYSA-N	311.429	3.761	50	20	DHGD	
CC(C)(C)Sc1ccc(NC(=O)NNc2ncccn2)cc1	159186557	VHNNWWJHXUDRFI-UHFFFAOYSA-N	317.418	3.516	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3ncccc3Cl)oc2cc1C	173601630	BZYYNGIZPFPIIA-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
COc1ccccc1C(=O)NNc1ccc(Cl)cc1Cl	178875286	ITHZGAMJWWOJKF-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC(C)n1cccc1C(=O)NNc1ccc(Br)cc1	179396536	HSTAJRSMNNFLED-UHFFFAOYSA-N	322.206	3.588	50	20	DHGD	
O=C(CCCc1ccc2ccccc2c1)NNc1ccccn1	181249889	CKOWJZLMAWBYJU-UHFFFAOYSA-N	305.381	3.701	50	20	DHGD	
O=C(/C=C/c1ccc[nH]1)NN(c1ccccc1)c1ccccc1	189716745	XVMASXGMJKBDQX-BUHFOSPRSA-N	303.365	3.897	50	20	DHGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccccc1-c1cccs1	273282322	AOVOOLZSVAVSFS-LLVKDONJSA-N	317.414	3.614	50	20	DHGD	
CN(c1ccc2ccccc2c1)S(=O)(=O)CCCCCl	276188246	GNOZQKPXSDITOS-UHFFFAOYSA-N	311.834	3.625	50	20	DHGD	
CCCn1c(C=NN(C)C(=O)OC(C)(C)C)nc2ccccc21	490788574	WRVVPTCEAJGMSC-UHFFFAOYSA-N	316.405	3.647	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1ccc(OCCC)c(OC)c1	727776638	ACNJIOKIFIVQAZ-CYBMUJFWSA-N	318.417	3.802	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1ccc(SC(C)C)cc1	728428961	CZQHINMBKPNSGZ-UHFFFAOYSA-N	313.426	3.736	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1	728752207	CZFCHRHJIHNYGW-UHFFFAOYSA-N	319.355	3.569	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ncccc3Cl)oc12	734246147	WUGYPWODGWVPKH-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
N#C/C(=C/c1occc1Br)C(=O)OC1CCCCC1	735304024	DBAQXNFBYBJKEW-NTMALXAHSA-N	324.174	3.825	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(O)cc1F	741462944	SPKVRXSQNCKUIN-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)c1ccc(C#N)cc1	747049403	PPXKDYXWKUYPHM-UHFFFAOYSA-N	305.381	3.605	50	20	DHGD	
CC(C)(C)c1nc(C=NNC(=O)CCc2ccccc2)cs1	749740418	NSICPSJGMKEHTB-UHFFFAOYSA-N	315.442	3.524	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H](C)C2)c1C	750776623	NMGBYIMNVXSDPV-XWAFYUISSA-N	313.445	3.680	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cc(Cl)cs1	760838349	VKZAPQKJDLCPQD-UHFFFAOYSA-N	309.803	3.768	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)C1Cc2ccccc2C1	762075890	SJIMUGIIFODYTR-UHFFFAOYSA-N	321.207	3.852	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](Br)C(C)(C)C)c1	768310423	BOWAYWCCDMCMLH-GFCCVEGCSA-N	313.239	3.556	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCc2c(Cl)cccc21	771688606	GNGZRUDYIRKTQK-CYBMUJFWSA-N	318.779	3.961	50	20	DHGD	
N#C/C(=C/c1nc2c(s1)CCCC2)c1nc2ccccc2[nH]1	776264192	WPLKXNLVOSMQKC-LUAWRHEFSA-N	306.394	3.962	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CC[C@H](C)C2)ccc1Br	776475050	FVZNAAJHANAZLP-ONGXEEELSA-N	311.223	3.637	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])cc1F	777872405	SXACLLOBKKWPEC-IZZDOVSWSA-N	316.313	3.894	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)o1	785359539	UTUIUHAGIHFQRU-FNQHXBGSSA-N	324.355	3.765	50	20	DHGD	
CC(=O)c1c(C)cc(C)c(COC(=O)/C(C#N)=C\C2CC2)c1C	786671807	XCDRIYFHHJZRFG-PXNMLYILSA-N	311.381	3.718	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@H](C)c1cccc(F)c1	788188367	INACDZTZAGJMSG-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
C/C=C(\CC)C(=O)NNc1ccc(Br)cc1CC	789849394	HTVKCQWLGKJBFL-ONNFQVAWSA-N	311.223	3.811	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)c(C)cc1Cl	793704039	BFGQUUBUTUJNAF-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(CO)c(F)c1	794953066	KMWKDXMNNPLZME-UHFFFAOYSA-N	316.376	3.507	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)c1ccc(Cl)s1	795537655	HZDUVLJUQBIXMG-MRVPVSSYSA-N	323.639	3.999	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)c1c(F)cccc1F	795573874	PEOQYDGPXRYNOJ-SECBINFHSA-N	319.145	3.563	50	20	DHGD	
C[C@@H]1C[C@H](c2ccccc2)N(CCI)C1	796622123	XZYHWELNZAHHKM-DGCLKSJQSA-N	315.198	3.505	50	20	DHGD	
CSSCCNC(=O)N[C@@H](c1ccccc1)C(F)(F)F	806427438	HPRNKXIUOLGMSV-JTQLQIEISA-N	324.393	3.600	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2C(F)F)cc1C	812242614	SITDKELTNBIETJ-QPEQYQDCSA-N	315.323	3.764	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc3c(C)c(C)[nH]c23)cc1	817896321	UJAUHEKYTPLMDH-UHFFFAOYSA-N	323.396	3.940	50	20	DHGD	
CSSCCNC(=O)NC1(c2ccccc2Cl)CC1	827057863	JSUPIHDBJPTKAE-UHFFFAOYSA-N	316.879	3.640	50	20	DHGD	
COc1cccc(C)c1/C=C(/C#N)C(=O)N(C)C1CCCCC1	834425125	IPHBRAOYNZOAFR-QINSGFPZSA-N	312.413	3.702	50	20	DHGD	
CC[C@@H](CNC(=O)NNc1c(C)cccc1F)CC(F)(F)F	840434006	XGULKIPYRABBMX-SNVBAGLBSA-N	321.318	3.739	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCc1c(F)cccc1F	848085174	QDGKRVGPGLRCGO-UHFFFAOYSA-N	310.171	3.550	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ncccc1F)c1cccc(Cl)c1	861662254	RBMXLCWOZXLVLC-CYBMUJFWSA-N	321.783	3.901	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1Cl	864366090	KAGGOGWNVKAJLN-PQTFEYQYSA-N	307.777	3.879	50	20	DHGD	
O=C(NN=C1CCOc2ccccc21)c1ccc2ccccc2c1	917546762	GYYQXSOUPXTWJS-UHFFFAOYSA-N	316.360	3.756	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)NCCc1cccs1	920831464	MGQLEIQPFDUMGZ-UHFFFAOYSA-N	315.442	3.599	50	20	DHGD	
CO[C@H]1Cc2ccc(NC(=O)C3CCC(Cl)CC3)cc2C1	1123783034	MDGHNCFCNQJABH-INORYPFCSA-N	307.821	3.536	50	20	DHGD	
O=C(NC[C@@H]1CCC2(CCC2)CO1)c1cccc(CCl)c1	1339149557	RZGFRHGLLJGWMB-HNNXBMFYSA-N	307.821	3.505	50	20	DHGD	
O=C(NNc1nccc2sccc12)C1C[C@H]2CCC[C@H](C1)C2	1339195792	VSNOCRFMSZSTIV-RYUDHWBXSA-N	315.442	3.956	50	20	DHGD	
CC/C(=C/C(=O)NNc1ccccc1C(=O)O)c1ccc(C)cc1	1594690610	DWWKGNRCHTUZLL-OWBHPGMISA-N	324.380	3.630	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc2ccc(C)cc2nc1Cl	33313762	PKDLTYMXGRAXEU-JYRVWZFOSA-N	300.745	3.667	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccco1	55037328	GDAQVYAJOOFUCL-NYYWCZLTSA-N	321.163	3.810	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(F)cc1F)c1ccc(F)cc1	113430642	FERXDTMTONGOKD-NTMALXAHSA-N	306.287	3.651	50	20	DHGD	
C[C@@H](CC(=O)NNc1ncccc1Cl)c1ccccc1F	114883013	CCANCLRHJBDADW-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2ccc(Cl)cc2)cc1	120144376	GUDHNSWWCGAYJT-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
O=C(CCSc1ccccc1)NNc1ccc(F)cc1F	122422064	KQINOPLNICZYAH-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cn1)C1CCCC1	132210491	IMKQJQOLXCVKPR-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
COc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1C	153660895	UHKJCQSAYFNPOW-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(F)cc(C(F)(F)F)c1	176310947	FDFDYVNHYOUJNP-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CC(C)c1nc(C(=O)NNc2cccc3cnccc23)cs1	178487441	BJSNQRJJJXYMFG-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)C1(c2cccc(F)c2)CC1	181156817	FFQRLCCNKUMXGS-UHFFFAOYSA-N	321.355	3.549	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1	213118634	CQFDETBFMQGVOP-VBKFSLOCSA-N	306.365	3.803	50	20	DHGD	
N#CC1=CCN(Cc2cc(Cl)ccc2OCC2CC2)CC1	280321038	YGOGAXFPZNFHCV-UHFFFAOYSA-N	302.805	3.784	50	20	DHGD	
CC1(C)Cc2cc(/C=C(\C#N)C(=O)NC3CCCCC3)ccc2O1	729149173	GHLCMEXUIKZJOC-LFIBNONCSA-N	324.424	3.756	50	20	DHGD	
CC(C)(C(=O)NN=Cc1c[nH]c2ccccc12)c1ccccc1	731153339	HPBCKUZPRULVHL-UHFFFAOYSA-N	305.381	3.596	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1ccc2c(c1)CCCC2	734264911	YXCDTLDPOSHDQN-AWEZNQCLSA-N	309.413	3.953	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2cc(F)c(F)cc2F)C1	734552390	VTPYBDRYHOKKEA-UWVGGRQHSA-N	300.324	3.763	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)c1OC	735620043	TWUDSVOWFHDTTJ-GXDHUFHOSA-N	319.364	3.953	50	20	DHGD	
O=C(NN=C1CCc2ccccc21)c1cccc2ccccc12	741465958	ZTIMSTFBOWLVDS-UHFFFAOYSA-N	300.361	3.920	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCSc2ccccc21	743455615	PELUDBQGXMOTEH-NSHDSACASA-N	320.364	3.688	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1F	747137213	MEUOYTQAKHXOIC-ZROIWOOFSA-N	321.311	3.948	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2cccc(Br)c2)C1	748030443	SGSIROIJEUVGSD-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
N#CCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	759658904	WBPQVJZIUQHLLS-UHFFFAOYSA-N	319.286	3.528	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ccc(Br)cc2)C1	762794398	FAFAWVDJNIMUIX-OYVNLZQHSA-N	309.207	3.639	50	20	DHGD	
CC(C)CCN(C(=O)[C@@H](Br)C(C)(C)C)C1CC1	767028549	CNPIDHVNVVPGFP-GFCCVEGCSA-N	304.272	3.833	50	20	DHGD	
Cc1cccc2c(CC(=O)OC[C@@H](C)CBr)c[nH]c12	770383856	LTFSDWBXTAGVRZ-JTQLQIEISA-N	324.218	3.593	50	20	DHGD	
COc1cccc([C@@H](C)NC(=O)NNc2c(C)cccc2F)c1	771298646	AXUYGNZQESTQKG-GFCCVEGCSA-N	317.364	3.530	50	20	DHGD	
Cn1ccc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)n1	773149614	IIXVTACMOPWFME-RMKNXTFCSA-N	300.774	3.747	50	20	DHGD	
O=C(NN=CCSCc1ccccc1)NC1CCCCC1	774319944	JAJJZDZIDNLHAR-UHFFFAOYSA-N	305.447	3.538	50	20	DHGD	
COc1ccc2nc(NNC(=O)CCC(C)(C)C)c(C)cc2c1	778476500	PEVCJWLMQAJGGK-UHFFFAOYSA-N	315.417	3.821	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccccc1OC(F)(F)F	779201707	USSQVQVGMHNZQT-MDZDMXLPSA-N	302.296	3.775	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1sccc1Cl	782168943	NADIXFOCGPHFNT-UHFFFAOYSA-N	313.209	3.748	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1ccc(Cl)c(Cl)c1Cl	782237420	KNKRUXXRDDNJTQ-UHFFFAOYSA-N	315.534	3.752	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(OC(F)F)c2)[C@@H](C)C1	783844482	AEDNYVVQYBYSIZ-QWRGUYRKSA-N	310.344	3.830	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC(C2CCCC2)CC1	787395182	ISUROFMYPAYDGV-QGOAFFKASA-N	324.424	3.728	50	20	DHGD	
COc1cc(NNC(=O)[C@H](F)c2ccccc2)ccc1Cl	790173990	AEVWBLKAYVFINW-CQSZACIVSA-N	308.740	3.503	50	20	DHGD	
O=C(NN=C1CCC2(CC1)CC2)c1cc2ccccc2cc1O	792631705	KVQYUOCZRAGJGX-UHFFFAOYSA-N	308.381	3.985	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(C)nn(C)c1Cl	794953058	HXMZOBIKQWJTLS-UHFFFAOYSA-N	320.824	3.571	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccc(OC(F)(F)F)cc1	800520777	NXZIDUKMMYIILY-SNVBAGLBSA-N	304.312	3.855	50	20	DHGD	
CCCN(NC(=O)c1ccccc1Cl)C(=O)OC(C)(C)C	804594340	WCKZBTXNBMZTOK-UHFFFAOYSA-N	312.797	3.632	50	20	DHGD	
C=CC[C@@H]1N(C(=O)NCCSSC)CCCC1(C)C	807234508	JZODLWCFONKCCB-LBPRGKRZSA-N	302.509	3.774	50	20	DHGD	
COC[C@H]1CCCCN(CCO[Si](C)(C)C(C)(C)C)C1	808747866	VNVYQLFPTBYANL-HNNXBMFYSA-N	301.547	3.757	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)/C=C(/C)C(C)(C)C)cc1C	812720303	BIFXURUKJMBGFC-QBFSEMIESA-N	318.417	3.607	50	20	DHGD	
CC(C)(CC(=O)NNc1ncc(Cl)cc1Cl)C1CC1	816172947	KVMXBYXFVOJPBY-UHFFFAOYSA-N	302.205	3.658	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(C(C)C)cc1)c1ccncc1	838489936	FRPFJKLKDMYCOR-KRWDZBQOSA-N	312.417	3.982	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(C(C)C)cc1)C1CCOCC1	838501171	DBAGBICAWFXMEW-QGZVFWFLSA-N	319.449	3.641	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccnn2CC(C)C)c1	843265884	QHZADWPKCMYUAP-LICLKQGHSA-N	307.397	3.946	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C1CC2(CCC2)C1	843833779	XGBAAOGLXARDJC-UHFFFAOYSA-N	323.234	3.781	50	20	DHGD	
CCCC(C)(C)C(=O)NNC(=S)Nc1ccccc1C(C)C	846047720	QFMIWOIAYJRFMO-UHFFFAOYSA-N	321.490	3.954	50	20	DHGD	
Cc1csc(C(=O)NC[C@]2(C)C[C@H]2Br)c1Cl	857391418	PQVIXWDKGZUQQH-HQJQHLMTSA-N	322.655	3.613	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	885112843	FZGQTPBWERHAAN-QQJLWGBUSA-N	324.346	3.716	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(F)cc(F)cc2F)c(C(C)C)n1	885154194	ZHAWFCWKNMTVHW-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
CC[C@@H]1c2ccccc2CN1C(=O)[C@]1(C)C[C@H]1Br	890612749	AHRNXRVMBMLFIC-UMVBOHGHSA-N	308.219	3.653	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(F)cc2F)cc1	916327940	NYKQQRMZHHVUJN-UHFFFAOYSA-N	302.324	3.681	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1ccc(C)s1	917027373	HZENJIPGXKLBLW-GFCCVEGCSA-N	320.389	3.503	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1ccc(C(=O)O)cc1	1776098770	XSKNTYQXWACLSP-AWEZNQCLSA-N	316.401	3.873	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc2ccc(Cl)cc2n1	84260224	IFIIVNXYLALRJJ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)c1	112224752	OOHOUBLXWKJEIK-ZSOIEALJSA-N	322.330	3.764	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1c(F)cccc1F	118511149	FVQJZNLXWZXNAC-GFCCVEGCSA-N	302.324	3.528	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2ccc(Cl)cc2)c1	120336435	AKJTYIRQRBCHIX-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2ccc(OC(F)F)cc2)c1	123165395	BWNDXVQNAQNSMZ-LBPRGKRZSA-N	320.339	3.843	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1ccc(Cl)c(F)c1	130720256	KXISCJTVMRBUTH-UHFFFAOYSA-N	316.804	3.644	50	20	DHGD	
CC(C)(C(=O)NNc1c(F)cccc1F)c1cccc(F)c1	152408066	ZEFCWNQBRIXDKX-UHFFFAOYSA-N	308.303	3.525	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2ccccc2Cl)cs1	158268812	WHDCPFRFLCWPKK-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
Fc1ccccc1CO[C@H]1CCC[C@H]1I	158420109	GRKZAKPHWVFBSO-NEPJUHHUSA-N	320.145	3.698	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ncoc2-c2ccccc2)c1	158856446	WGEVPTLLZAEJLW-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2c[nH]c3cc(F)ccc23)c1	159162007	YGJWPENOWXBDOG-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)n2c1	178765528	LSUVOZLMEMEZNM-RIYZIHGNSA-N	304.309	3.615	50	20	DHGD	
CCC1(C(=O)NNc2ccc(Cl)cc2Cl)CCOCC1	272270442	DAOWTDWMBMCPOX-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
CCC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCOCC1	276921566	WMTVUQMHWUEVHJ-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1c[nH]c2ccc(F)cc12)c1ccccc1	731930696	IGFPSAWAXWPMLQ-MRXNPFEDSA-N	323.371	3.951	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](CC(C)C)c1ccccc1C	732747555	QPMVFENMWWDDAA-KSVUCXBSSA-N	300.402	3.642	50	20	DHGD	
CC(=NNC(=O)c1cn(C)c2ccccc12)c1cc(C)oc1C	744782124	MONOUJXSMOGOPH-UHFFFAOYSA-N	309.369	3.542	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CC[C@H]2CCCC[C@H]2C1	747051688	RMCGGYOVAVRQPL-CVEARBPZSA-N	314.429	3.918	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2cccc(Cl)c2C)c1	748381253	WFUNCIHWUCZWOL-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(Cl)cc2)c(O)c1	749274670	XGHRJXLWIWRVCV-UHFFFAOYSA-N	304.777	3.926	50	20	DHGD	
CC[C@H](C)Oc1cc(C=NNC(=O)C2CCCC2)ccc1OC	749447910	YLAXIYSGKLBASO-ZDUSSCGKSA-N	318.417	3.513	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)CCc3ccccc3)c[nH]c2c1	749739412	CGZOFUFJXZIURV-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)c2ccc(Cl)s2)cc1	750237706	BHOKYNZJPLYCGO-VIFPVBQESA-N	310.806	3.657	50	20	DHGD	
CCc1ncc(C=NNC(=O)c2cccc3ccccc23)s1	752164907	DLACEZNMECDPNF-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
COc1ccccc1CC(=NNC(=O)c1ccc(C)o1)C(C)C	752173932	IAGHTWJXJSWMJO-UHFFFAOYSA-N	314.385	3.581	50	20	DHGD	
CC[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	752408796	QIJXUHIPLSLGJL-QXPQOBGOSA-N	300.377	3.771	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cnnc3ccccc23)cc1	755804334	OTDVGLMLGUOXTG-CYBMUJFWSA-N	320.396	3.900	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cccc(C#N)c1	759659771	QFMITANJZHFQNL-WQLSENKSSA-N	311.772	3.758	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)c1	760140630	JFPRGMGJMCPBQB-TZMCWYRMSA-N	316.376	3.926	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2cccc(Cl)c2)o1	764417888	PQOKEENNTAGVLG-XYOKQWHBSA-N	301.729	3.869	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	769605137	IYHKTKXYGSVXHM-UWVGGRQHSA-N	311.769	3.518	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccnc(Br)c1	771532170	KPSWAPYLICAQBN-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccc(Br)n1	777919053	QHLYMOGFWVWMOS-NGPGYTDTSA-N	307.191	3.756	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCC(F)(F)C2)cc1	780840283	CMTLTMNBFIGBRS-ZDUSSCGKSA-N	311.376	3.798	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccsc2Cl)cc1	790168239	PFUWNQNMZYCVDF-UHFFFAOYSA-N	322.821	3.623	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791729587	MLXLNSIUVVAQDK-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
CSc1c(F)cc(NC(=O)NNc2ncccc2C)cc1F	792359986	MPWLLVAQFSJTLE-UHFFFAOYSA-N	324.356	3.539	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cccc(Cl)c1	794785917	MZACLUVZQQRUNI-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)c1ccc(CC)cc1	795493425	NDUYXXDIJSNVKP-LBPRGKRZSA-N	311.219	3.847	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc(O)c(Cl)c1	797402531	FVKVYZOAFXWMGU-MNOVXSKESA-N	308.809	3.978	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@@H]21	803226501	XPUHNWDPTFEYIS-QLFBSQMISA-N	316.449	3.650	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)cc1C	809146655	RGRIZLTWHQCMSN-LICLKQGHSA-N	319.360	3.865	50	20	DHGD	
Cc1cc(OC(=O)c2ncsc2C(C)C)ccc1[N+](=O)[O-]	810534088	FVXHQBGJWGTXPE-UHFFFAOYSA-N	306.343	3.702	50	20	DHGD	
CCCN1CC[C@H](CNCc2ccc(OCCCCl)cc2)C1	811476167	ZHIQMSNZPKQILU-QGZVFWFLSA-N	324.896	3.516	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OCCCCl)cc1	811687634	QCNBEHVIJLAYFR-NTCAYCPXSA-N	321.804	3.945	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812245076	MYTWWYZDWKVGRB-KPKJPENVSA-N	301.252	3.992	50	20	DHGD	
CC[C@H]1C[C@H](C(=O)NNc2c(C)cccc2C(C)C)CCO1	812766567	RVKVCLISIOYHDD-CABCVRRESA-N	304.434	3.767	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(Cl)c2F)cc1	817908247	AZEQKEGLNMRKJW-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
C=CCC1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCCC1	819748014	RCLZQKYPPQTQHT-UHFFFAOYSA-N	314.216	3.968	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2nc(C(F)(F)F)cs2)C[C@H]1C	826800423	UWPAHWDOSWYDNQ-IWSPIJDZSA-N	321.368	3.677	50	20	DHGD	
COCc1csc(C(=O)NNc2c(C)cc(C)cc2C)c1	830792661	ZNZSCGZVTHCHDM-UHFFFAOYSA-N	304.415	3.577	50	20	DHGD	
CCSc1cccnc1C(=O)NNc1c(C)cccc1CC	831242946	FGIJAISCOYZOIS-UHFFFAOYSA-N	315.442	3.821	50	20	DHGD	
Cc1ccncc1CNC(=O)CCCC[C@@H]1CCSS1	834349777	MJULXHXIWVLPHF-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccc(C#N)c2)c1C	834717911	NQRJDFAYYZCDFX-WQRHYEAKSA-N	315.376	3.953	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837055848	UOLAUVYSWRHLRF-GFCCVEGCSA-N	324.396	3.518	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)C1CCSCC1	838347608	ZUYOEQCVAHGMPI-UHFFFAOYSA-N	305.230	3.580	50	20	DHGD	
CS[C@H]1CC[C@H](NC(=O)NNc2ccc(C(C)C)cc2)C1	838495106	MMNMGSJDNAVTAZ-GJZGRUSLSA-N	307.463	3.720	50	20	DHGD	
O=C(/C=C\C1CCCC1)NNc1cc(Cl)nc(Cl)c1	843912536	XWPWNSFTTLPPDR-WAYWQWQTSA-N	300.189	3.578	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OC[C@@H]2CC2(Cl)Cl)cc1	844266109	KPFANURGDCWDIS-TZQNSNDFSA-N	310.180	3.639	50	20	DHGD	
O=C(NN=C1CCC(=C2CCC2)CC1)c1cccc([N+](=O)[O-])c1	853254704	CVXJSVKVODTICQ-UHFFFAOYSA-N	313.357	3.735	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1)OCC(F)(F)F	853427785	QMMSPSUKVVJKCQ-SFYZADRCSA-N	320.233	3.629	50	20	DHGD	
CCc1nc([C@H](C)NC[C@H](CBr)C2CC2)cs1	859250666	MXJVGWSTJHZEGP-ONGXEEELSA-N	317.296	3.777	50	20	DHGD	
CC(C)CC[C@H](CO)NC(=O)CCCC[C@@H]1CCSS1	862777521	KBIVFLIWEMCXRL-ZIAGYGMSSA-N	319.536	3.614	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cnc(C(C)C)nc1C	885128660	YPFWEDVAPNSJKG-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CCCS2)C1	912579600	CLBZRIQUWVOEMK-CHWSQXEVSA-N	315.555	3.505	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccccc2OC(F)F)cc1	916329499	LZUDKGMLEQJBLF-UHFFFAOYSA-N	318.323	3.614	50	20	DHGD	
C[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)[C@@H]1C	916650318	CQHBQHZYURFEKN-HCDWPGPFSA-N	300.377	3.674	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C1CCOc2c1ccc(Cl)c2Cl	920374986	NYOBPPVXXQDXEU-MRVPVSSYSA-N	315.200	3.642	50	20	DHGD	
O=C(Nc1ccc(O[C@H]2CCOC2)cc1)C1CCC(Cl)CC1	1123597411	SJSSXZBJKQNTTP-ZUEPYMLJSA-N	323.820	3.590	50	20	DHGD	
COCCC1(C(=O)NNc2ccc(C)c(Cl)c2)CCCC1	1319654222	CFVFSOPJKRYTHS-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccc2c(c1)oc1ccccc12	1321862038	MTOLJCIVZQUEIX-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
CC(F)(F)C1(C(=O)NNc2cccc(Cl)c2Cl)CC1	1330864284	YRXMUUZFFRAFDO-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CC[C@H](c2ccccc2)C1	1552661184	DGOZZLNIIJWQNO-QWHCGFSZSA-N	300.229	3.832	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1sccc1-c1ccccc1	103199371	IJISZZDTEICPGS-UHFFFAOYSA-N	316.426	3.612	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNc2cccc(C#N)c2)c1	107394501	IOSZRQWKLIHVRM-CQSZACIVSA-N	308.385	3.562	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C[C@H](C)c1ccccc1)c1ccccc1	110344985	LUIVXYMZJDIOHG-MAUKXSAKSA-N	324.424	3.521	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(OC(F)F)cc2)C1	121688866	QYLSIDNCBAFZKM-NWDGAFQWSA-N	312.360	3.948	50	20	DHGD	
CCC1(C(=O)NNc2ccc(OCC(F)(F)F)cc2)CCC1	124682194	HKMHUBQQFYVXLX-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
C[C@@H](CBr)CN(C)Cc1ccc(OC(F)F)cc1	133534272	OTKHHMRMDLWYSN-JTQLQIEISA-N	322.193	3.751	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c1C	153131733	FYHWVKQYEYNIKO-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(CC)o1	155156848	TWAPLWXUXVJNIB-ACCUITESSA-N	310.353	3.786	50	20	DHGD	
Cc1cccc2c(CC(=O)NNc3ccccc3Cl)c[nH]c12	158251156	GHBUHUXIJNDLBJ-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(-c2csc(C)n2)cc1	158662969	KRDQVPHJPHPERN-LCYFTJDESA-N	313.382	3.501	50	20	DHGD	
CC(C)(C)C(=O)NNC(=O)Nc1cccc(-c2cccs2)c1	179817259	PCEYIZZBQDAVFL-UHFFFAOYSA-N	317.414	3.614	50	20	DHGD	
COc1ccc(C(=O)NNc2ccncc2)cc1-c1ccccc1	180528015	ITXWFSAPMGZDEV-UHFFFAOYSA-N	319.364	3.514	50	20	DHGD	
CN(C)c1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1	181152905	KHWHVAYNWCUJGG-UHFFFAOYSA-N	311.429	3.807	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccc3c2OCO3)c1C	207695573	WPUVTIPNSQWEOZ-DHDCSXOGSA-N	320.348	3.578	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(Cl)cc2)c1C	211340086	JHMMNXAVEYGORO-ZROIWOOFSA-N	314.772	3.828	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(-c2ccccc2F)o1	728430896	IEFMCJUYWHHOFI-UHFFFAOYSA-N	302.349	3.972	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cc3c(s2)CCC3)o1	732762951	ADXKFEKJBPMWQD-MFKMUULPSA-N	314.410	3.717	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1nccc2sccc12	734249169	MLOCEDBZGKIKCE-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC(C)CO[C@@H]1CC(=NNC(=O)c2cccc(Cl)c2)C1(C)C	737421032	OHEFSKNNXCLBSR-OAHLLOKOSA-N	322.836	3.897	50	20	DHGD	
C=CCOCCCC(=O)NN(c1ccccc1)c1ccccc1	742519446	LYDPGMKQBRCSSP-UHFFFAOYSA-N	310.397	3.839	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(C(F)(F)F)cn2)c(C)c1	743764407	HEUKNEOVPGLITQ-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1cccc(-c2ccccc2)c1	746485551	YNCFRCIVPFNRQI-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2ccc(Cl)c(F)c2)C1	746696942	FESJHRZIFNUXFQ-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc2cccc(Cl)c2o1	753344791	XKOFATHSUDOHPF-UHFFFAOYSA-N	322.151	3.892	50	20	DHGD	
Cc1cc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)c(C)s1	754546860	QMGXBPNOWAZPGJ-RIYZIHGNSA-N	313.378	3.721	50	20	DHGD	
O=C(COC1CCCC1)Oc1ccc([N+](=O)[O-])c2ccccc12	757426061	VPZBMHGWKNZSLG-UHFFFAOYSA-N	315.325	3.613	50	20	DHGD	
C[C@H](C=NNC(=O)c1cc2c(s1)CCCCC2)CCC#N	766000952	BSIMYMZOAHBGSI-LBPRGKRZSA-N	303.431	3.672	50	20	DHGD	
C[C@@H]1CCC[C@@H](N(C)C(=O)[C@H](Br)C(C)(C)C)C1	767028441	BOXUASNBMYZULT-UTUOFQBUSA-N	304.272	3.833	50	20	DHGD	
C[C@H]1CCCC[C@@H]1OCC(=O)NNc1c(F)cccc1Cl	770203829	TZBOFVIGCFLORO-GWCFXTLKSA-N	314.788	3.518	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCc2c(Cl)cccc21	771688607	GNGZRUDYIRKTQK-ZDUSSCGKSA-N	318.779	3.961	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc2cc[nH]c12	775286478	UJWIGXKDHACNDW-LBPRGKRZSA-N	309.207	3.916	50	20	DHGD	
CCC(CC)N(CC(C)C)C(=O)/C(C#N)=C/c1ccc(O)cc1	776669239	MSNZNIROASVEOW-LFIBNONCSA-N	314.429	3.972	50	20	DHGD	
CCc1ccc(O)c(NC(=O)[C@@H](Br)C(C)(C)C)c1	781098485	TZQOZUSKMVYLFN-GFCCVEGCSA-N	314.223	3.703	50	20	DHGD	
O=C(NN=Cc1ccc(SCc2ccccc2)cc1)C(F)F	782233830	HZVDDEZQWXSMFI-UHFFFAOYSA-N	320.364	3.694	50	20	DHGD	
CC[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)c1ccccc1	785344907	NSAQKCZPURHDGI-KJCUYJGMSA-N	319.360	3.798	50	20	DHGD	
Cc1nc2c(C(=O)NNc3ccc(Cl)c(F)c3)cccc2o1	792266625	KQDZOEMSRYXBEF-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@@H]1Cc2ccc(F)cc21	792941531	HVCRXIRPQJIAAS-GFCCVEGCSA-N	324.277	3.628	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(F)cc1C#N	799405475	RPPXGCHYIYERAT-UHFFFAOYSA-N	312.348	3.717	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1coc2ccccc12	803722750	BUEOGKZKCRWZEF-SNVBAGLBSA-N	311.175	3.550	50	20	DHGD	
O=C(CCOc1ccc2ccccc2c1)NNc1cccc(F)c1	813493952	RXXOMLJGRDRBQI-UHFFFAOYSA-N	324.355	3.891	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(c3cccc(C)c3)CCC2)cc1	817915574	OMIZOMFHSMAEDI-UHFFFAOYSA-N	324.424	3.959	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C)c(-n3cccc3)c2)cc1	821698041	GZSVFICKVZGOQE-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	827650538	ZKJAVCDQSVPZFJ-GFCCVEGCSA-N	308.813	3.512	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ncc(Cl)cc1Cl	829748629	SVMJRTVPTOMCIQ-ISVAXAHUSA-N	302.205	3.658	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1coc(C2CCC2)n1	836935985	DTPMZSBVQITJPI-UHFFFAOYSA-N	305.765	3.661	50	20	DHGD	
CC[C@@H](C)[C@@H](C(=O)NNc1ncc(F)cc1F)c1ccccc1	837206944	QATVXAVSMKSMBJ-IAQYHMDHSA-N	319.355	3.633	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2ccncc2C#N)C1	853896580	DTEZTSIFIYCKOI-OAHLLOKOSA-N	317.509	3.944	50	20	DHGD	
BrC[C@@H](CN1CCC[C@@H]1c1ccncc1)C1CC1	859210629	LZBCNAWXHFTHMO-LSDHHAIUSA-N	309.251	3.640	50	20	DHGD	
CC(C)n1cc([C@@H](C)NC[C@H](CBr)C2CC2)cn1	859250577	LENHWUBNCGAVMZ-YPMHNXCESA-N	314.271	3.536	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@H]1CN[C@@H]1c2ccccc2CC12CCOCC2	894548849	LMSVIFMWDHJBNP-OSMBCOQSSA-N	305.849	3.544	50	20	DHGD	
Cc1cccc(-n2c(C)cc(/C=C(\C#N)C(=O)NC3CC3)c2C)c1	912706279	VAADUUKXVWDEJA-GZTJUZNOSA-N	319.408	3.588	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)c1ccc(C2CCCCC2)cc1	914842422	DGLDPYHBVRVCKH-UHFFFAOYSA-N	314.429	3.686	50	20	DHGD	
CCN(CC)C[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	921079318	UYNMQDQVGUBWDS-ZIAGYGMSSA-N	318.552	3.547	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1	1320365932	VQCFZIDAZBFPRA-HNNXBMFYSA-N	305.328	3.742	50	20	DHGD	
COc1ccc(CCN(Cc2ccccc2)C(=O)CCl)cc1	1320466997	YQNFOGUPVHUSKO-UHFFFAOYSA-N	317.816	3.505	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H](C)CC1CCCCC1	1321623913	BHNNRCXAMUEQQJ-CQSZACIVSA-N	317.433	3.754	50	20	DHGD	
Cc1cc(Oc2ccc(C#N)cc2)ccc1NC(=O)CCl	1336909853	HFJYQDKYONXMKR-UHFFFAOYSA-N	300.745	3.836	50	20	DHGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccccc1-c1nn[nH]n1	1592794257	LVIZMOSAQWAPRB-CMDGGOBGSA-N	324.771	3.502	50	20	DHGD	
Cc1ccc(NNC(=O)CC/C=C/c2ccccc2)cc1C(=O)O	1610509684	PEMPAXBRXAQMAD-WEVVVXLNSA-N	324.380	3.630	50	20	DHGD	
CCC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(=O)O)c2)s1	1776676025	WOGJAABQBHJRRU-UKTHLTGXSA-N	311.362	3.999	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc(Cl)s1	57737251	XZCYSYYIBBMSLE-OWOJBTEDSA-N	301.198	3.733	50	20	DHGD	
CCSc1ccc(Cl)cc1C(=O)NNc1cc(C)ccn1	88421943	PIDQXPPDFWFMHG-UHFFFAOYSA-N	321.833	3.912	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1-c1cccc2ccccc12	97990450	LISVYVLJUIMUNM-BOPFTXTBSA-N	315.376	3.640	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc2c1CCCC2)c1ccncc1	120259078	JDUOAXAYNJHXKT-AWEZNQCLSA-N	309.413	3.597	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(CC(F)(F)F)cc1	120697963	SASKQURKUSPVOQ-UHFFFAOYSA-N	309.291	3.940	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2c(s1)CCC2	122363677	JZUZPRFBFSALLL-UHFFFAOYSA-N	324.352	3.595	50	20	DHGD	
N#Cc1cccc(NNC(=O)C2(c3cccc(F)c3)CCCC2)c1	152700499	JAHFDMOJVNDNLZ-UHFFFAOYSA-N	323.371	3.652	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Cc2ccccc2F)c1	158767853	SOXVXSCQPHMVAO-CQSZACIVSA-N	300.377	3.764	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1cccc2cnccc12	178484735	MJXHDTQAYXCJPX-UHFFFAOYSA-N	319.364	3.557	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC1CCCC1)c1ccccc1	178891023	RRZHJYDRGHMVBH-UWXVCKHVSA-N	312.413	3.868	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1c(Cl)cccc1Cl	191761375	QADYAAPXYUQBEC-VQHVLOKHSA-N	304.198	3.683	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Cl)cc1C(F)(F)F	220608812	SEMBUKFEIQQWJO-FPLPWBNLSA-N	318.682	3.741	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C(C)C)cc2)c(C)c1	257353826	UEJIBPFRQUWARM-UHFFFAOYSA-N	323.440	3.989	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cccc2c1ccn2CC(C)C	278113003	CIWBQPBBCUIZNH-UHFFFAOYSA-N	322.412	3.758	50	20	DHGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)NC1CCCCC1	490727041	XFSNWGOTYOKBAG-SDNWHVSQSA-N	323.371	3.730	50	20	DHGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@H](C)CC(C)C)c1	727864354	HPQATCLGFNLGBL-CYBMUJFWSA-N	321.490	3.693	50	20	DHGD	
Cc1cc(OC(=O)Cc2c[nH]c3cccc(C)c23)ccc1[N+](=O)[O-]	728804854	CJYCYFNRTCTRHP-UHFFFAOYSA-N	324.336	3.841	50	20	DHGD	
CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1nccs1	732622203	NMLLCZFOTILWDX-UHFFFAOYSA-N	317.458	3.590	50	20	DHGD	
CCCCC(CC)=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	732923420	AUVZUOYOCFNZCE-CQSZACIVSA-N	320.433	3.925	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)[C@H](CC)c1ccccc1	742661870	UQENFDZSBHNFKX-DOTOQJQBSA-N	318.461	3.934	50	20	DHGD	
CCOc1cccc(C(C)=NNC(=O)c2ccc(Cl)cc2)c1	743526839	WEDKRZUQKLVIJT-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2	747694684	BLLRDVOVJGUKKE-JSAOQESESA-N	321.307	3.900	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2c[nH]c3cc(C)ccc23)cc1	749200337	AOGVWZGZEGPHGJ-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)C[C@@H]2C[C@@H](C)c3c(C)cccc32)n1	754174714	UFOYJKHIVCQQGA-DOMZBBRYSA-N	324.428	3.526	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1nc(-c2ccccc2)cs1	755685037	MIOYAVDRBDYAFH-UHFFFAOYSA-N	313.426	3.841	50	20	DHGD	
CCN(CCI)[C@H](C)c1ccc(F)cc1	759340882	BXSJNQDOEFCOJK-SNVBAGLBSA-N	321.177	3.644	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)CCc2ccccc2F)c1	760137026	NUCYJHUGAOCWKW-ZDUSSCGKSA-N	318.367	3.985	50	20	DHGD	
Cc1cnc(C2CCN(C[C@@H](C)CBr)CC2)s1	763970945	JETMPNVXBRSTKM-JTQLQIEISA-N	317.296	3.662	50	20	DHGD	
CCC[C@@H](C(=O)NNc1nccnc1C(C)C)c1ccccc1	772815948	OWUJSEZSSIJURX-OAHLLOKOSA-N	312.417	3.627	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2nc3c(s2)CCCC3)c1	776267364	YAVVCLGBYRCGNM-JLHYYAGUSA-N	323.421	3.876	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H](F)Cc1ccccc1	777927695	FOZDTGJENBEALW-AWEZNQCLSA-N	317.316	3.698	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cc1F	780004354	MATZKNSWXFHFGS-PTNGSMBKSA-N	324.355	3.794	50	20	DHGD	
CC(CCCCN(C)C)=NNC(=O)c1cccc2ccccc12	781128001	SKWCXZXIEBDPIR-UHFFFAOYSA-N	311.429	3.677	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2cccc3cc[nH]c23)c(C)c1	786258856	HVRRRTIQZMLIHI-UHFFFAOYSA-N	322.412	3.919	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(OC(C)C)c(Cl)c1	788980249	FPZZNTFUCPEQDM-UHFFFAOYSA-N	319.792	3.609	50	20	DHGD	
Cc1cccnc1NNC(=O)C(C)(C)Cc1cccc(Cl)c1	791216719	DTEOMTNGLHNNSQ-UHFFFAOYSA-N	317.820	3.755	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)NCCCCCC)c1	797326269	LRDUDZLXXINMHZ-GHRIWEEISA-N	312.413	3.855	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCOc1ccc(F)cc1	799756874	NLBPHWKOLXUGDV-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(Cl)c2ncccc12	801114548	BNZPBBFYLJZSAJ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802014715	VVWNUNFWPFQTEK-BXUZGUMPSA-N	323.824	3.709	50	20	DHGD	
COc1cc(NNC(=O)c2sccc2Cl)ccc1Cl	803260894	ARFQANJHZHQFNP-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
CSSCCNC(=O)c1cc2ccc(Cl)cc2[nH]1	803474613	HWASJSDAZHXVLX-UHFFFAOYSA-N	300.836	3.562	50	20	DHGD	
CCCN(NC(=O)c1sccc1CC)C(=O)OC(C)(C)C	804591679	BPNBZACGUBHNSK-UHFFFAOYSA-N	312.435	3.602	50	20	DHGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccccc1	806372222	FEGSFEFXBPVWRK-CQSZACIVSA-N	305.381	3.557	50	20	DHGD	
FC(F)CC1CN(Cc2ccc(OCCCCl)cc2)C1	822520858	QFPGFFGQAJBNFI-UHFFFAOYSA-N	303.780	3.781	50	20	DHGD	
CO[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)C[C@H]1C	824821342	YNSHJTOUDUIRKX-RHSMWYFYSA-N	311.853	3.551	50	20	DHGD	
COc1ccc([C@@H]2C[C@H]2C(=O)NNc2cc(C)ccc2C)cc1	830792363	WZPJXLHRRKFVEX-DLBZAZTESA-N	310.397	3.559	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	834437884	DBQARWMUXUOVAU-LTKMBJGESA-N	321.376	3.751	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccc(C(C)C)nc1	836933028	HHCDZAWRLNRKOT-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CN(CCN)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841189621	IHHJWNQQWDSYFT-UHFFFAOYSA-N	319.299	3.766	50	20	DHGD	
COC[C@@H](C)Oc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1	853000385	AMSICOPMMGZUQU-NWFCWYBLSA-N	301.386	3.622	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@H]1CCCc2occc21	853398472	DXEZEEAGLPHNOC-ZDUSSCGKSA-N	323.755	3.776	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccc3occc3c2)C[C@H]1Br	861543977	HOUXRUWTTBDKOJ-OCCSQVGLSA-N	323.190	3.728	50	20	DHGD	
CCn1cc(C(=O)NNc2ccc(C(C)C)cc2)c(C2CC2)n1	868781055	HSZOHTYDHGINOJ-UHFFFAOYSA-N	312.417	3.661	50	20	DHGD	
C=CCN(CC=C)C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	885316509	XJSNHCJVXURYJG-AQTBWJFISA-N	311.429	3.623	50	20	DHGD	
CSc1cccc(N(C)C(=O)[C@]2(C)C[C@@H]2Br)c1	906504506	IJFVBAOUAYCQHI-WCQYABFASA-N	314.248	3.545	50	20	DHGD	
Cc1cc[nH]c1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912582430	OGHWRPJELTYZNL-CYBMUJFWSA-N	308.498	3.559	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2nc1Cl)C1CCCC1	914836157	BZAGTVDQPPARRM-UHFFFAOYSA-N	301.777	3.529	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccc(N)cc1	915935223	LZIHVPYBPZSGLO-UHFFFAOYSA-N	309.413	3.742	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1	916265015	GGXUGGWFZSXUEL-UHFFFAOYSA-N	315.804	3.856	50	20	DHGD	
N#C/C(=C/c1ccccc1-c1ccccc1)C(=O)N1CCCC1	917516011	HCJMIERLQWDLOT-JXAWBTAJSA-N	302.377	3.883	50	20	DHGD	
CCCn1cccc1C=NNC(=O)c1ccc(Cl)cc1Cl	918151921	BJCFKZYUQRYEKQ-UHFFFAOYSA-N	324.211	3.969	50	20	DHGD	
O=C(NN=Cc1ccc(O)c(Cl)c1)c1ccc2ccccc2c1	921258638	YNJMWKFFTALXMW-UHFFFAOYSA-N	324.767	3.963	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc2c(c1)CCC2)c1ccccc1	1116148906	VDERUCUZSDMWBK-AQTBWJFISA-N	302.377	3.745	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1ccccc1C	1320082235	VHSDBAYSIXSDCD-KAMYIIQDSA-N	307.349	3.802	50	20	DHGD	
O=C(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2)c1cccc(CCl)c1	1346934222	MUMQFHCCIRXHIU-XHSDSOJGSA-N	319.832	3.503	50	20	DHGD	
CC(=O)c1ccccc1C(=O)NNc1ccccc1C(F)(F)F	81244689	COQQLNVTSJEMGJ-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
Cc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)c(C)c1	114111556	HHJFOCIKUUHVJS-UHFFFAOYSA-N	305.809	3.608	50	20	DHGD	
C[C@H](CBr)CN[C@H](C)c1cccc(-n2cccn2)c1	152789707	HBCHLKHENXNHGN-CHWSQXEVSA-N	322.250	3.554	50	20	DHGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccccc1F	153216997	LAFHIHKONBOVGK-UHFFFAOYSA-N	323.371	3.677	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccc(C#N)cc3)CCCC2)c1	155619202	PTGXDKRLGKQFDS-UHFFFAOYSA-N	319.408	3.822	50	20	DHGD	
CC(C)OCc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	158454901	RSMPNGPAOUYABC-UHFFFAOYSA-N	324.384	3.632	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(F)cc(F)c2)c1	158667041	AOFNQGLKUUDKDL-LFYBBSHMSA-N	314.291	3.519	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccnc1Cl)c1ccccc1	171349842	PTZLZJSVFQORMR-DYTQJMLRSA-N	311.772	3.519	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)CC(C)C)c(OC(F)F)c1	172092575	HUGHBTITQKZIGQ-GHXNOFRVSA-N	309.312	3.819	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C/SCc1ccco1	184330612	YCOYDZQDYKGGLY-VQHVLOKHSA-N	306.362	3.617	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccccc2OC(F)(F)F)c1	190158702	ORRGJHWGBMNLOK-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
COc1cccc(C)c1NC(=O)NNc1ccccc1Cl	194987655	SYBRFJNPQCYUKA-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccccc1C(F)(F)F	213204462	GALCKZNXBXAESE-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1Cc1ccccc1	220609867	HTECHSIMVLTEQH-VKAVYKQESA-N	306.365	3.660	50	20	DHGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)Nc1ccccc1F	490549205	CBUUIIJBVHCRBD-RVDMUPIBSA-N	317.323	3.920	50	20	DHGD	
CCc1ccsc1C(=O)NNC(=O)c1cccc2ccccc12	741575838	OTWMHVZUQRJVKV-UHFFFAOYSA-N	324.405	3.539	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2cc(F)c(F)c(F)c2)C1	746701047	GCXAFEXWYABQBC-UWVGGRQHSA-N	300.324	3.763	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2C[C@@H](C)C[C@@H](C)C2)cc1OC	747741041	MASAZOMEYHZWCJ-BETUJISGSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(Br)cc2)cc1	747831657	XHGRUPLDVSHIRA-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc2ccc(F)cc2s1	748055816	OMHFFIDWZDPPSP-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(C#N)cs2)c1C	748438733	FBUIWWHYTLUQAH-AUWJEWJLSA-N	307.378	3.782	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCCOc1ccccc1C	748552135	ZKRJSAKSZYORLV-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCOc2cc(C)ccc2C)c1	748785205	MGIRTXHTZCFAIR-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)[C@H](C)c1nc2ccccc2s1	748786513	SVQZGXXWDCGKBL-JTQLQIEISA-N	303.431	3.938	50	20	DHGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1ccc(Cl)cc1	749270901	COAOGRJDGTYBFS-AWEZNQCLSA-N	322.767	3.780	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1cccc(Cl)c1	750664698	WTJKZTJFPSNNIL-ZSOIEALJSA-N	313.740	3.696	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	753289215	SQVWFGBPERZZEF-UHFFFAOYSA-N	313.785	3.764	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc(-c2ccccc2)nn1	754470835	SBNUQSKPXNSIFC-CQSZACIVSA-N	324.428	3.803	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2ccncn2)cc1Br	758913828	CVFOXNPAUKGIOP-WUXMJOGZSA-N	300.159	3.612	50	20	DHGD	
COc1cc(C)ccc1NC(=O)[C@H](Br)C(C)(C)C	767307260	WMOOGZGINKHKHQ-LBPRGKRZSA-N	314.223	3.752	50	20	DHGD	
CC/C(=C/C(=O)NNc1nccnc1C(C)C)c1ccc(C)cc1	772859621	FNMYEOPFYSGLRS-QINSGFPZSA-N	324.428	3.845	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2cnc(Cl)c(C)c2)ncn1	773149861	LECDKXWTIFOZHU-NYYWCZLTSA-N	302.790	3.620	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1ccc(Cl)cc1	777523673	PEJVNPNPCGRVTP-UHFFFAOYSA-N	306.818	3.748	50	20	DHGD	
CCc1ccccc1COC(=O)/C(C#N)=C\c1ccc(O)cc1	782279631	APSFLRSAHFGAAO-BOPFTXTBSA-N	307.349	3.605	50	20	DHGD	
Cc1cc(COC(=O)/C(C#N)=C\c2ccccc2)ccc1C#N	785343362	DOQZNLQSMYELQY-ZDLGFXPLSA-N	302.333	3.517	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cc2ccccc2[nH]1	788421059	OWEFCGUFZJRRNK-UHFFFAOYSA-N	311.772	3.514	50	20	DHGD	
O=C(CC1CCSCC1)NNc1cc(Cl)cc(Cl)c1	791718485	CKBAEYMGPNOOFI-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
CCc1occc1C(=O)NNc1ccnc2cc(Cl)ccc12	798106833	QTHJSZQFANJFKJ-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1ccc(C#N)cc1	799390916	FMGBOFPQCCWQPG-AWEZNQCLSA-N	322.412	3.816	50	20	DHGD	
CCCCC[C@H](C(=O)NNC(=O)Nc1ccccc1)C(C)C	801985695	DOIQWQTXRJSLNG-HNNXBMFYSA-N	305.422	3.692	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(F)(F)F	807895632	JWRVFHBYGBVUMP-DTWKUNHWSA-N	301.399	3.768	50	20	DHGD	
N#C/C(=C/c1cnccn1)c1nc(-c2ccc(C#N)cc2)cs1	809155158	PUZRSMUFLFWSTR-AUWJEWJLSA-N	315.361	3.536	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)cs1)c1cc(C(F)(F)F)ccn1	812246023	BAFWJWHLCQFNTA-BAQGIRSFSA-N	324.283	3.924	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CC1(O)CCCCC1	812766371	FVUKNKMMIAVIJN-UHFFFAOYSA-N	304.434	3.647	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1	814598113	OEQFPTMESKLNGM-UHFFFAOYSA-N	320.780	3.671	50	20	DHGD	
Cc1sccc1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	814728020	ISEUDQFXUSDKRD-UHFFFAOYSA-N	302.443	3.723	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(F)ccc1Cl	815857035	MNPRQAPWQURVIC-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
COc1ccc(NNC(=O)c2ccsc2)c(C(F)(F)F)c1	816703775	SLYQHKCLMBIIIR-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1cc(C(F)(F)F)ccn1	832962789	LCEWGIDJLSOJNR-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccc(C)cc2Cl)C1(C)C	836936250	FBBZOOYZLNKSCK-OLZOCXBDSA-N	322.836	3.733	50	20	DHGD	
Cc1ccc(NNC(=O)c2c(C)noc2C(C)C)c(Cl)c1	836938200	HIBFYMLTFMZOGD-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(C(C)C)cc2)C1	837059784	YFAJYUQJGFMVKG-YOEHRIQHSA-N	304.434	3.848	50	20	DHGD	
O=C(NN=CC1CCC(C(F)(F)F)CC1)OCC(F)(F)F	853429323	ICVBNXQNCZNOAY-UHFFFAOYSA-N	320.233	3.629	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ncc(Cl)cn2)C1	853897288	CEZKPOITGGPDFH-GFCCVEGCSA-N	313.905	3.731	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCC[C@@H]1c1ccccc1	856092058	NCATZGOUSYTWKH-CABCVRRESA-N	315.804	3.762	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@H]1Br	856808590	AUIKXYFKNJVPHH-GWOFURMSSA-N	314.189	3.871	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)cc1F)c1cccnc1	885107128	TUFDBMSEYBPKFU-OAHLLOKOSA-N	321.783	3.757	50	20	DHGD	
Cc1ncccc1CCNC(=O)CCCC[C@H]1CCSS1	890837187	PDVMZHIPDTYPAC-HNNXBMFYSA-N	324.515	3.763	50	20	DHGD	
Cc1ccsc1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	916308354	GNLFWYYULUDWQX-UHFFFAOYSA-N	302.443	3.723	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)CC(C)C)c(OCCC)c1	916342473	AANNOQXWRSODJY-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	917560366	WWUHENOLNKLARF-LCYFTJDESA-N	314.385	3.987	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2ccc3ccccc3n2)c1	921253523	MCMBHMKPFQFZGL-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1	921257134	OCWJHQBONPNDJY-QGZVFWFLSA-N	324.424	3.838	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(c2ccncc2)CC1	1123850566	UWOOPIZNSKQGLY-UHFFFAOYSA-N	306.837	3.585	50	20	DHGD	
N#C/C(=C/c1ccccc1Cl)c1nc(N)c2ccccc2n1	1321612652	STYXRLDFENWKOV-XFXZXTDPSA-N	306.756	3.930	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccc(OC)cc1	1343496570	MQVRVOKOFIELHN-UHFFFAOYSA-N	316.788	3.675	50	20	DHGD	
O=C(N[C@H]1CCOc2ccc(F)cc21)C1CCC(Cl)CC1	1351611541	DLXCRSQCQAPGDN-MGULZYLOSA-N	311.784	3.563	50	20	DHGD	
CC1(C)CC(C(=O)NNc2cccc(C(=O)O)c2)CC(C)(C)C1	1593847947	BGYWQUMUHASLDR-UHFFFAOYSA-N	318.417	3.680	50	20	DHGD	
CCCC[C@H](CCC)NC(=O)NNc1cccc(C(=O)O)c1C	1595633487	LRJVHOGOCOHDDS-ZDUSSCGKSA-N	321.421	3.678	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)s1	6958760	IKNKZPFARKSJSH-XNTDXEJSSA-N	310.422	3.842	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1occc1-c1ccccc1	73563232	OVGUCFMCHNEWTP-UHFFFAOYSA-N	323.308	3.612	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)cc1	108207627	MUZDMOFMZOXKGK-RAXLEYEMSA-N	312.756	3.894	50	20	DHGD	
Cc1cc(OC(=O)CCc2c[nH]c3ccccc23)ccc1[N+](=O)[O-]	113195662	IAWHKUIUXLVLSO-UHFFFAOYSA-N	324.336	3.923	50	20	DHGD	
O=C(CCCn1cccc1)NNc1ccc(Cl)cc1Cl	119893618	LRZRTIPGFBZTNA-UHFFFAOYSA-N	312.200	3.718	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCCC[C@@H]2C(F)(F)F)c1	127683846	SYRZLGJQOHBSDI-QWRGUYRKSA-N	318.314	3.946	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1	128694790	BMUSYLXIXKADIW-WDZFZDKYSA-N	302.255	3.650	50	20	DHGD	
Cn1cc(C(=O)NNc2ccc(Cl)c(F)c2)c2ccccc21	130547867	JXDNXTNSDDHYCV-UHFFFAOYSA-N	317.751	3.728	50	20	DHGD	
COc1c(F)ccc(F)c1C(=O)NNc1c(C)cc(C)cc1C	151042204	BQJBXQAHTRTSHX-UHFFFAOYSA-N	320.339	3.656	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(CCC(F)(F)F)cc1	152688521	CFMOEGXYQGPSSO-UHFFFAOYSA-N	308.303	3.938	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H](C)c1ccccc1	156233980	GVAPRLFCLQATOS-GFCCVEGCSA-N	315.325	3.703	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@H](C)c2c(C)noc2C)c(C)c1	161129815	UQPJEQJWWKSBEL-NSHDSACASA-N	315.417	3.854	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)c1C	170869707	QMEXLKHLXYTAOE-LZYBPNLTSA-N	322.364	3.643	50	20	DHGD	
CC(=O)c1csc(C(=O)NNc2ccc(Cl)c(F)c2)c1	175434347	CXFOOGMCPUNCOA-UHFFFAOYSA-N	312.753	3.500	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2ccccc2o1	175452320	JSHLVJAWKPMAOI-UHFFFAOYSA-N	304.708	3.982	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc3ccccc3c(Cl)n2)cc1	178938732	YESUMKFWEUPJBT-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
Cc1cnc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)s1	181611693	VGDMEQVNMPABLZ-UHFFFAOYSA-N	318.446	3.575	50	20	DHGD	
O=C(NN=Cc1ccccc1OC(F)F)c1ccc(Cl)cc1	245284199	QPDAEDFDKPMYEE-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
Cc1cc(NNC(=O)/C=C\c2ccco2)ccc1Br	255549325	NXMJDFTZUVCBGC-ALCCZGGFSA-N	321.174	3.507	50	20	DHGD	
O=C(/C=C\c1ccccc1OC(F)(F)F)NNc1ccccc1	255908425	VKRAUCOWBSFKIW-KHPPLWFESA-N	322.286	3.742	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c(C)n1CC(C)C	280959955	KLGCVCFEDNKOTH-TWIVVOHQSA-N	314.429	3.664	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1sc(-c2ccccc2)nc1C	490845953	UJAWMRGWXNWTTO-RAXLEYEMSA-N	313.382	3.501	50	20	DHGD	
Cc1c(NNC(=O)N[C@H](C)CCCC(C)C)cccc1[N+](=O)[O-]	728126253	TVNOUPAQEMNPKQ-GFCCVEGCSA-N	322.409	3.744	50	20	DHGD	
O=C(NC[C@@H]1CCc2ccccc21)NNc1ccccc1Cl	732469028	VLVZZKGCWJTWBA-ZDUSSCGKSA-N	315.804	3.696	50	20	DHGD	
CCC(=NNC(=O)CNc1ccccc1)c1ccc(Cl)s1	733201591	VXGHDSOBQAWWCH-UHFFFAOYSA-N	321.833	3.744	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NN=c1cc[nH]c2ccccc12	734865389	RICWOHIKSLHRHI-OAHLLOKOSA-N	319.408	3.602	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748730448	NVPHSKQPAHOGFQ-JTQLQIEISA-N	313.785	3.764	50	20	DHGD	
CCC(=NNC(=O)Cc1ccccc1OC)C1CCCCC1	750936929	ZJRGWGZZTVGHOJ-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
C[C@@H](CC(=O)NNc1cc(C(F)(F)F)ccc1F)C1CC1	754149153	SZGVKNGFUSRQOH-QMMMGPOBSA-N	304.287	3.724	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1	756011537	APYGELHWELUJDG-MELADBBJSA-N	320.408	3.884	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2cc(F)ccc2C1	768816760	QUVOXCPVRWORFX-FXBPXSCXSA-N	323.327	3.657	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(-c2cnco2)cc1	771712385	FJRRNUFAJLZSKL-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CCCc1ccccc1NC(=O)NNc1ccccc1[N+](=O)[O-]	775475917	RCSDSUOTTNSVDS-UHFFFAOYSA-N	314.345	3.696	50	20	DHGD	
Cc1ccc(C(C)C)cc1OS(=O)(=O)CCCCCl	780665262	NVCYAOKIAMZVAP-UHFFFAOYSA-N	304.839	3.846	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC(C2CC2)C2CC2)cc1	780816686	GLOVXFHNXZNDCI-UHFFFAOYSA-N	301.434	3.799	50	20	DHGD	
CCCCC/C(C=NNC(=O)C(C)(C)O)=C/c1ccccc1	785462369	DJTBMHXCHIBGTG-PVDHPUTMSA-N	302.418	3.523	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccccc1OC	788713745	IARCKZFTSBSOKN-UHFFFAOYSA-N	316.788	3.675	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)cc1	789131352	XMZDINIZBKABRP-MHWRWJLKSA-N	317.797	3.916	50	20	DHGD	
COc1cc(NNC(=O)[C@H](C)c2ccsc2)ccc1Cl	790170900	PTIFQTXGILTECP-SECBINFHSA-N	310.806	3.657	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ccc(C(=O)OCC)c(C)c1)CC	794648853	JERVFHILAXCZEY-AYEHRXMBSA-N	316.401	3.527	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1nccnc1C1CCC1	805464697	DMHRNZOMOLKQTG-AWEZNQCLSA-N	324.428	3.689	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1nccnc1C1CCC1	805466121	XBHXFMMKAOPJAM-CYBMUJFWSA-N	304.438	3.794	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@@H]2CCCSC2)cc1	807595260	QIFMWXUKOFIFCO-ZDUSSCGKSA-N	321.490	3.753	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1cccc(Cl)n1	817005705	DQVNRJSKNMVBLR-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(Cl)cc(OC)c2)cc1	817880134	WYTNZRMRJJJXTQ-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1cc(F)cc(Cl)c1	822589407	UVSBLZJFPDRTRE-UHFFFAOYSA-N	324.743	3.802	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)CC[C@H]1C	825997825	QARQWSPXRRCPQY-OUAUKWLOSA-N	315.339	3.616	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1CC2(CC2)C1	832074326	ZMQNBVHRDNDYNJ-UHFFFAOYSA-N	323.234	3.645	50	20	DHGD	
CCN(Cc1occc1C)C(=O)[C@@H](Br)C(C)(C)C	840532900	BGNBFGWHTINYRA-GFCCVEGCSA-N	316.239	3.746	50	20	DHGD	
Cc1nccc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	844335202	CBYLOVDMIKQYEZ-MRXNPFEDSA-N	321.541	3.771	50	20	DHGD	
CC(C)[C@H](F)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378666	JKUHZTORCXXFIJ-JTQLQIEISA-N	312.694	3.796	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2ccc(CO)cc2)C1	852524321	JGOFDCPDVSJUDR-QGZVFWFLSA-N	321.537	3.775	50	20	DHGD	
C[C@@]1(CNC(=O)CCCC2CCCC2)C[C@H]1Br	857396765	GGUIPNCUFIXCQK-OCCSQVGLSA-N	302.256	3.637	50	20	DHGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1cccnc1	869461279	CZQONHDFKOGXTK-NDPMZMCLSA-N	324.218	3.640	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Oc2ccc3c(c2)CCC3)c1	915295161	MGRZAIPOVNURPI-OAHLLOKOSA-N	324.424	3.703	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)C12CC3CC(CC(C3)C1)C2	916270230	WXVUZKGXSQFCAO-UHFFFAOYSA-N	312.413	3.714	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1Cl)NC1CCCCC1	916299608	QOMCNYAPYJLVTG-UHFFFAOYSA-N	314.216	3.959	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cccc(OCC#N)c1	917622899	YXCBTXLMUITIQP-ZROIWOOFSA-N	308.362	3.749	50	20	DHGD	
CSc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1	1317823286	XDYVZILBSBPXEY-RAXLEYEMSA-N	318.405	3.998	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1	1334937421	SPVSNLMDEVYXSA-LBPRGKRZSA-N	304.340	3.828	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(C(=O)O)s1	1777477162	BXDOULUEXNILQX-TWGQIWQCSA-N	303.364	3.606	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cc(C(=O)O)ccc2F)sc1C	1777489234	KHLNNTLIVAHDKL-SDQBBNPISA-N	302.330	3.661	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	32789267	VVIZSVFBVNNCKU-SDNWHVSQSA-N	312.344	3.909	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	40889057	VKFPDINCISKKRE-ATVHPVEESA-N	307.349	3.736	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	91540913	MMRCCDIDYMXGTI-RIYZIHGNSA-N	309.281	3.876	50	20	DHGD	
ClCc1nnc(Nc2ccc(Br)cc2)s1	98179194	CBMOTGKKSOIKPZ-UHFFFAOYSA-N	304.600	3.783	50	20	DHGD	
CCc1c(C(=O)NNc2ccccc2)cnn1-c1ccc(C)cc1	111552833	PLZKHYKDGWYGCO-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc(F)c(F)cc1Cl	118514041	BXYCALQHUVQQQR-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Br)c(C)c2)c1	123580670	SRIGZTZCJLANGQ-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1C[C@]12CCCc1ccccc12	152998381	CMCSDWXYEGTXBL-BEFAXECRSA-N	310.372	3.563	50	20	DHGD	
C=CCCC[C@@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	181111033	JXOLQZGGOZYQSD-LLVKDONJSA-N	313.348	3.659	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCCc2occc21	182058261	UJWOCOHLCOLQDT-ISBHARSQSA-N	310.328	3.519	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc2occc2c1	491084144	NGRAIQJOAWWYKH-RVDMUPIBSA-N	318.332	3.987	50	20	DHGD	
CCc1ccc(O)c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	588431686	LGOKPMZGJUOMMU-NTEUORMPSA-N	310.328	3.639	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)C(C)(C)C)o1	734298533	GIWCAVGZGPHKNS-UHFFFAOYSA-N	302.349	3.890	50	20	DHGD	
CC(Cc1ccccc1C)=NNC(=O)Cc1c[nH]c2ccccc12	743428160	MWLHGTFGSFCPRP-UHFFFAOYSA-N	319.408	3.754	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@H]2CCC[C@H]2C1	745874702	COTKXXBAHMAABO-GRYCIOLGSA-N	309.360	3.560	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Cl)nc1	748781424	ZDANHGRTNBGPTF-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cnc2cccc(C)n12	748999038	UYYPNKIDBZDQDF-MDWZMJQESA-N	307.378	3.803	50	20	DHGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)c1cnccn1	751155145	APLXESNTYJIUFE-NEPJUHHUSA-N	312.460	3.795	50	20	DHGD	
Cc1occc1CNC(=O)NNc1cc(Cl)ccc1Cl	752907785	LMJZELBNRKNQGS-UHFFFAOYSA-N	314.172	3.721	50	20	DHGD	
C[C@@H](C=NNC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1	756889390	JKKGVGDFRTXTOU-AWEZNQCLSA-N	323.371	3.686	50	20	DHGD	
CN(CCOCc1ccccc1)/C(=C\C#N)c1ccc(F)cc1	756899469	HVPJSHLPQCHCNX-ODLFYWEKSA-N	310.372	3.839	50	20	DHGD	
N#CCc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	759456631	BWYNRSWVTHILGC-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
CCc1ccc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)o1	760260855	WDDOZFBGXAOQGE-UHFFFAOYSA-N	323.299	3.599	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNC(=O)OC(C)(C)C)c(Cl)c1	765112110	MGJNHRVXKSTCRV-UHFFFAOYSA-N	313.785	3.518	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2Nc2ccccc2)CC1	767159351	CCKJDOCIXFRHFP-UHFFFAOYSA-N	303.365	3.726	50	20	DHGD	
CCCN(CC(F)(F)F)C(=O)[C@@H](Br)C(C)(C)C	767918660	VPZBLKVKAILXLP-MRVPVSSYSA-N	318.177	3.597	50	20	DHGD	
C[C@H](CBr)COC(=O)C1(c2ccccc2)CCC1	770320274	ZOCJXFRVRIQKDI-GFCCVEGCSA-N	311.219	3.683	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2nc3c(s2)CCCC3)ncn1	773171789	KNLUWULMMSQVDB-POHAHGRESA-N	314.439	3.598	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc(O)c(Cl)c2)ncn1	773173689	TZIWIIGDWYAHJV-ONNFQVAWSA-N	303.774	3.622	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cccnc2Cl)ccc1[N+](=O)[O-]	774559133	DXCSFQIYRKKNKY-GHXNOFRVSA-N	315.716	3.716	50	20	DHGD	
COc1ccc(CCC=NNC(=O)NC2CCCCC2)c(C)c1	777421960	BDNLQEXMGIIFBE-UHFFFAOYSA-N	317.433	3.554	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)c1cccc(C(F)(F)F)c1	780375749	ZHXLQBAQVXEUMH-YRNVUSSQSA-N	316.238	3.960	50	20	DHGD	
CN(C)c1ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc1	781068838	QJNPSDQYEULSOM-GFCCVEGCSA-N	313.239	3.501	50	20	DHGD	
Cc1ccc(F)c(NC(=O)[C@H](Br)C(C)(C)C)c1	781070622	NLXCITXTKVVHIW-NSHDSACASA-N	302.187	3.882	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1cccc(C#N)c1	785352707	ZECGEURHLPZCTC-FNHQQPGVSA-N	302.333	3.770	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@@H]1CCCSC1	790421848	ZYXRPXYGEXPRDH-SNVBAGLBSA-N	320.245	3.515	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cc(Cl)cc(Cl)c2)n1	790603350	ACYJIWVPVLQMQX-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Oc1cc(C)ccc1Cl	791153607	XTWSESKKVWSHSQ-JTQLQIEISA-N	319.879	3.543	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)C1CCOCC1	794957141	CRRSGPRXCLACNG-FOWTUZBSSA-N	307.349	3.849	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)c1cccc(Cl)c1	795523223	CCSRDYOHULHBJM-JTQLQIEISA-N	317.610	3.938	50	20	DHGD	
C=CCN1C(=O)/C(=C\c2cccc(CCl)c2)SC1=S	799888646	IEJNROSWRKTODX-XYOKQWHBSA-N	309.843	3.813	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCCF)c1cccc2ncccc12	800812982	OQOWIYQDMXVIAY-ZDUSSCGKSA-N	313.376	3.870	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C=C2CCCCC2)c(Cl)c1	802048483	ROJOIJUBVLGCGT-UHFFFAOYSA-N	321.808	3.692	50	20	DHGD	
CC(C)(CCCc1ccccc1)C(=O)NNc1cccc(F)n1	804767205	CTXCCUBZGLYLLD-UHFFFAOYSA-N	315.392	3.713	50	20	DHGD	
CCCCOc1ccc(C(C)=NNC(=O)CC2CC2)cc1OC	814986679	DFJWEPOAAAFCAF-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1	815007079	MSHOSVHLTMSPDG-WBMJQRKESA-N	315.323	3.876	50	20	DHGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	819502479	UXMUQQGQDFKANM-PSASIEDQSA-N	302.205	3.658	50	20	DHGD	
C[C@H](c1ccc(-c2ccccc2)cc1)N(C)S(=O)(=O)CCl	830734689	VZTUIANTZUTLGM-CYBMUJFWSA-N	323.845	3.873	50	20	DHGD	
N#C/C(=C/c1c[nH]c(C(=O)O)c1)c1nc2cc(F)ccc2s1	833064845	XCLZXXAIDATPTP-OQFOIZHKSA-N	313.313	3.526	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	833774540	WIZJYFAZNJPANV-SNVBAGLBSA-N	311.769	3.518	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2nnc(C3CC3)s2)cc1	836205720	PYARZAILVVMVNR-UHFFFAOYSA-N	317.418	3.688	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cnc(C3CC3)nc2)cc1	836374659	XBZSXNMEADZPNB-UHFFFAOYSA-N	311.389	3.626	50	20	DHGD	
C[C@@]1(CNC(=O)NNc2ccccc2Cl)CC1(Cl)Cl	838669738	YWUDTABJFQOVSR-NSHDSACASA-N	322.623	3.550	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)C(C)(C)F	840735243	OFRFJBJZWGNBQT-PKNBQFBNSA-N	305.736	3.576	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2nc(C3CC3)cs2)cc1F	853864714	KKNPSZWLMSBOLK-UHFFFAOYSA-N	306.366	3.617	50	20	DHGD	
C[C@]1(CNCc2cccc(OC(F)F)c2)C[C@H]1Br	856806954	JJTUDIFUVRCUBK-DGCLKSJQSA-N	320.177	3.551	50	20	DHGD	
CCC[C@@H](OCC)C(=O)NNc1ccc(Cl)cc1Cl	860313457	GYVWADMEICATIJ-GFCCVEGCSA-N	305.205	3.642	50	20	DHGD	
Cc1ccc(CO[C@H](C)C(=O)NNc2cc(C)ccc2C)cc1	860317769	GKRAUEHTOLJPPK-MRXNPFEDSA-N	312.413	3.660	50	20	DHGD	
C[C@@]1(C(=O)NNc2nccc3sccc23)C[C@H]2CC[C@H]1C2	863874826	AZUGGPOOVGAPEQ-XMZIXOGTSA-N	301.415	3.566	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCO2)c1nc(-c2ccccc2)no1	915984585	AISIQQMUGKOXHI-ZROIWOOFSA-N	317.304	3.529	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)c2cccc(N(C)C)c2)cc1	916280609	HQPZDCLSCGWZQW-UHFFFAOYSA-N	309.413	3.640	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1cccs1	916336952	UNHCNTWTMSDASY-CQSZACIVSA-N	316.426	3.673	50	20	DHGD	
O=C(N[C@H](C1CC1)[C@H]1CCCCO1)c1cccc(CCl)c1	1337333767	JNICAABDXMCONN-HZPDHXFCSA-N	307.821	3.503	50	20	DHGD	
Cc1c([C@H](C)NCc2ccc(OCCCCl)cc2)cnn1C	1343552175	KICDMDYVYSWLRK-ZDUSSCGKSA-N	321.852	3.587	50	20	DHGD	
C[C@H](CCc1ccc(O)cc1)NC(=O)C1CCC(Cl)CC1	1349332533	ZEQHJNQVPRFSJQ-LRVUVFPRSA-N	309.837	3.627	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H](c2ccncc2)C1	1352197778	DYWLDHLHOXJXNK-HWOWSKLDSA-N	306.837	3.585	50	20	DHGD	
Cc1nnc([C@H](C)OC(=O)CCCC[C@H]2CCSS2)o1	68507334	UHDQCJVHFHZHLE-ONGXEEELSA-N	316.448	3.696	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1F	128932837	RIFIMBGKEMCLSH-GDNBJRDFSA-N	300.377	3.948	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(Cl)s1	132517371	ZGUWDVHFHCNEFS-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2cc(Cl)ccc2Cl)cc1	158748709	PPXONNJMOQRIHJ-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1ccc2ccccc2n1	181153958	GPSHKNOVQDMAID-UHFFFAOYSA-N	321.380	3.537	50	20	DHGD	
O=C(CCCc1ccc2ccccc2c1)NNc1ccnc(F)c1	182423560	MKBPTTSNJJBGPX-UHFFFAOYSA-N	323.371	3.840	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2cc(F)ccc2o1	184390392	JSBBQQMBIRBKBI-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2ccccn2)c1C	189019588	CBAZCEQUVVKMEV-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
C=CCSCCNC(=O)CCCC[C@@H]1CCSS1	194499355	VZXDBPWUZTUESY-GFCCVEGCSA-N	305.534	3.736	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	254968353	CNSCTKYFMBOEOA-SDQBBNPISA-N	316.282	3.958	50	20	DHGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1ccc(Cl)cc1	490782939	MRENGEIXDUBXSA-VMPITWQZSA-N	324.192	3.996	50	20	DHGD	
CCOc1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1OCC	490808408	LBMJNGJEDZPUCT-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
CN(C[C@@H](CBr)C1CC1)C1CCC(F)(F)CC1	701842249	CMMJZEUXEZPLTB-LLVKDONJSA-N	310.226	3.917	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(O)c(Cl)c1)c1ccccc1	731932097	YQRQMWYUHBVIRU-AWEZNQCLSA-N	316.788	3.690	50	20	DHGD	
COc1ccc([C@H]2CCCCC2=NNC(=O)C(C)C)cc1F	732711670	RMTKFZOMUAWYTF-CYBMUJFWSA-N	306.381	3.620	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc3c(F)cccc3s2)cc1	748118026	VZQYTIRPBWJRDZ-UHFFFAOYSA-N	311.341	3.669	50	20	DHGD	
COc1ccccc1C1(C(=O)NNc2ccccc2Cl)CC1	748318789	POVKNWSKBJBVCD-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2ccccc2)nn1	754472130	PDSFNQGMFRSFLP-GDBMZVCRSA-N	324.428	3.803	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1ncnc2ccsc12	755515479	BVBLLTXLJVMLFC-JTQLQIEISA-N	306.435	3.597	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cccc([N+](=O)[O-])c2C)c(C)c1	762002894	GJYMEKAHLZPOQI-UHFFFAOYSA-N	313.357	3.585	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(N(C)C)c(F)c2)cc1	764892236	UJHYBBTWXHVXJT-MHWRWJLKSA-N	308.356	3.990	50	20	DHGD	
O=C(NN=C1CC[C@H]1c1ccccc1)c1ccc(O)c(Cl)c1	769789928	IMEUBCBSBXDXKR-ZDUSSCGKSA-N	314.772	3.709	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1cc(Cl)cs1	771689143	UJSUBSGRYUCXKY-UHFFFAOYSA-N	312.797	3.925	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)COc1ccc2ccccc2c1	771707058	NWMKTXGFQQOCKG-UHFFFAOYSA-N	324.355	3.809	50	20	DHGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccccc1C(F)(F)F	775776616	IQNLMLFOSBZXQM-SMDDNHRTSA-N	300.324	3.831	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1nc2ccccc2cc1C	777477734	IXXLOEFKCAARNE-CYBMUJFWSA-N	317.458	3.908	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc2ncccc2c1	781075604	USDRKJYNZDAXQN-ZDUSSCGKSA-N	321.218	3.983	50	20	DHGD	
O=C(NN=Cc1ccc(SC(F)F)cc1)c1ccccc1	781575242	QNGUSUWXWQCLCG-UHFFFAOYSA-N	306.337	3.765	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ncc(C(C)(C)C)s1	790603017	IJYVVXGWUSIFRZ-XFXZXTDPSA-N	305.447	3.654	50	20	DHGD	
Cc1cccnc1NNC(=O)CCCCCc1cccs1	791221553	XNBCOTLQOMOLSC-UHFFFAOYSA-N	303.431	3.698	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC2(C)CC2)c1C	791814012	YVPXKMIMKRAUOU-ATVHPVEESA-N	313.445	3.728	50	20	DHGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)C1CCOCC1	794958935	PSKWMWMSKBESNM-LCYFTJDESA-N	309.287	3.608	50	20	DHGD	
C=C(CBr)COC(=O)CCc1ccc(Cl)s1	795453068	WMWGITMYUPUHJG-UHFFFAOYSA-N	323.639	3.828	50	20	DHGD	
CC(C)n1cnc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	799000783	LEQUIMGWJRZUDT-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC34CCC4)n[nH]2)c1	799883123	QMSTXDKDPASVSV-UHFFFAOYSA-N	322.412	3.743	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc3ccccn23)cc1C	809160326	MTFBPKSTZIBBTI-MHWRWJLKSA-N	301.349	3.741	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2sccc2Cl)cc1	814997709	APYLKZWCOGLAMQ-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
CCCc1ccc(C(=O)CCC(=O)NCC(Cl)Cl)cc1	837650973	FSOKLTOCDZTDFP-UHFFFAOYSA-N	316.228	3.522	50	20	DHGD	
CCOc1ccc(C[C@H](C)C(=O)NNc2ccc(F)cc2)cc1	839489049	XMHBGLJXTWBIIX-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)NNc2cccc(Cl)c2Cl)CS1	840414105	PFXZITMGJRGCRE-YUMQZZPRSA-N	320.245	3.514	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)CC1	843832607	CMCSOJADPPFRPA-LBPRGKRZSA-N	310.344	3.868	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccnc(Cl)c1	855467859	HXFCHUGRLSGDGK-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
C=CC[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)c1ccccc1	857392034	XSAMFKYYOAFQBZ-DZKIICNBSA-N	322.246	3.636	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2cc(C)cc(C)c2)cc1	857500452	RRLYHKALAUROSL-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)s1	873947795	BXZFPGRDIJHDBZ-FLIBITNWSA-N	323.826	3.978	50	20	DHGD	
CCc1nc(COC(=O)/C(C#N)=C/c2ccc(C)cc2)cs1	913228460	JXWXBFAJGNHMON-RIYZIHGNSA-N	312.394	3.664	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	916223731	PFHUVYHQFZHSGX-XJKCOSOUSA-N	305.397	3.811	50	20	DHGD	
N#C[C@@H](NC(=O)CCCC[C@H]1CCSS1)C1CCCC1	921539196	YTWJMYKSWZZKKY-UONOGXRCSA-N	312.504	3.899	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(Sc2ccccc2)CC1	1116361227	LEGHEAXONWXESL-UHFFFAOYSA-N	302.374	3.594	50	20	DHGD	
Cc1cc(OC(=O)C(C)(C)Oc2ccccc2)ccc1[N+](=O)[O-]	1122497925	HVNLPYMASRYDKL-UHFFFAOYSA-N	315.325	3.666	50	20	DHGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1ccccc1Cl	1320646173	KTMQBBNPVPCSIW-UHFFFAOYSA-N	306.793	3.549	50	20	DHGD	
CN(Cc1nccs1)C(=O)CCCC[C@@H]1CCSS1	74548196	MKFCIYJUZBGNBW-LLVKDONJSA-N	316.517	3.816	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc2ccccc2s1	78386910	PXFIFWVVNLWGDD-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
CSc1ccc(NC(=O)NNc2ncccc2Cl)cc1	92224938	BMVYLEIRNREKIE-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1nc2ccccc2s1	103250320	QFHKUBQPTIFSDQ-AATRIKPKSA-N	317.801	3.628	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)cc1)c1ccc(F)cc1	120402139	KXLHFHIWBLEVNL-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cc(Br)ccc1Cl	128665803	WABMSWKWXXQGPN-WEVVVXLNSA-N	314.566	3.573	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1CCC[C@@H](C(F)(F)F)C1	153156789	FZQWGIXNMVLIPJ-NXEZZACHSA-N	304.287	3.638	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2ccc(C(F)(F)F)cc2)c1C	153618235	UUFAOKXYIJYCLD-UHFFFAOYSA-N	312.291	3.981	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cc2ccc(Cl)cc2[nH]1	154576897	SOYPBBOPZWNTHV-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)c2ccc(F)cc2F)cc1	161798070	HDWDZDOSVQDZBT-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
Cc1c(C(=O)NNc2cc(F)c(F)c(F)c2)oc2ccccc12	175480545	FUAXOLHYJZDBSG-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
N#C/C(=C\c1sccc1Cl)c1nnc2n1CCCCC2	195222941	HUPQLIVRSZCPRU-CSKARUKUSA-N	304.806	3.784	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(/C#N)c3ccccn3)c2C)no1	206430004	XILWMFPPTOIBIO-YBEGLDIGSA-N	304.353	3.850	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(F)ccc2F)c1	207692054	CQZWZMKLIUFMKM-GHXNOFRVSA-N	314.291	3.519	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(Oc2cccnc2)c(C)c1	255232433	YLVDFGHAHIBTOE-XNTDXEJSSA-N	308.337	3.652	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cccc(F)c2C#N)c1	491107800	WOAINUZBFNVSEZ-NTEUORMPSA-N	305.312	3.551	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)C(c1ccccc1)c1ccccc1	725854558	STZLYXGRTORPCE-UHFFFAOYSA-N	317.392	3.953	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	728694917	NELNGUPMWZYRJQ-SWEABUAFSA-N	302.333	3.767	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)[C@@H](C)Oc2ccccc2F)C1	734978000	PMIWLZNSTZAKOY-OLZOCXBDSA-N	306.381	3.665	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)NC1CCCC1	742591955	WRSDKURGZJOSKL-QGZVFWFLSA-N	311.470	3.646	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1ccccc1Cl	748332669	NEWMCNMKLLLEDU-OAHLLOKOSA-N	310.825	3.911	50	20	DHGD	
C[C@@H](C=NNC(=O)CCc1ccccc1O)CCc1ccccc1	749164664	KILDSGZTAFWIIX-MRXNPFEDSA-N	324.424	3.696	50	20	DHGD	
Cc1cc(C)cc(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	752437166	CGYIKEIVBBROCI-PDGQHHTCSA-N	322.383	3.708	50	20	DHGD	
O=C(COc1ccccc1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421322	IJDWVSFOAPZPOY-UHFFFAOYSA-N	323.304	3.732	50	20	DHGD	
CCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OCC(C)C	758910690	FRCCASZBOZCEEB-CXUHLZMHSA-N	323.396	3.974	50	20	DHGD	
CC(C)OCc1c(C(=O)N2CC=C(C#N)CC2)oc2ccccc12	760003668	NVZAWDPJRWKFHI-UHFFFAOYSA-N	324.380	3.654	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	762247060	DILKFBSMGPTXKZ-SECBINFHSA-N	303.328	3.616	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@H]3C)n[nH]2)c1	764791005	YJFMWGIWVALJQC-CYBMUJFWSA-N	310.401	3.599	50	20	DHGD	
CC1(OCC(=O)NNc2c(Cl)cc(F)cc2Cl)CCC1	768010937	GFKCAWQMDCJEGU-UHFFFAOYSA-N	321.179	3.535	50	20	DHGD	
Cc1nc(C)c(NC(=O)NNc2nc3ccccc3s2)s1	770057600	OGVDICZPHCAUNR-UHFFFAOYSA-N	319.415	3.518	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cnc(C2CC2)s1	770197784	UZLPFHJJCFREBU-UHFFFAOYSA-N	311.769	3.570	50	20	DHGD	
CN(NC(=O)c1csc(-c2cccs2)n1)c1ccccc1	770261621	YNYUTBKWGRMUHI-UHFFFAOYSA-N	315.423	3.653	50	20	DHGD	
C=C(CBr)CN1CC[C@H](Cc2ccccc2)[C@@H]1C	791472893	IKBVQAGYNSBGHA-GOEBONIOSA-N	308.263	3.891	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(OCCOC)c1	794876048	AUQJAKNXPWXCOJ-RVDMUPIBSA-N	301.386	3.624	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1cc(Cl)cc(Cl)c1	796641345	WUFRJCNVAOQHPR-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)C(C1CCC1)C1CCC1	802831717	XHPWMBKFAXOBFC-UHFFFAOYSA-N	312.335	3.763	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(-c2cccc(OC(F)F)c2)cs1	806553738	XNVHGZATHCCUHC-DHZHZOJOSA-N	307.325	3.625	50	20	DHGD	
CCNc1ncc(C(=O)NNc2c(C)cccc2C(C)C)s1	812770087	GGXCVRHSMLHSQB-UHFFFAOYSA-N	318.446	3.764	50	20	DHGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)C1CCCC1	814219107	VIIJDHPLLRPXSV-XHOSPMEYSA-N	300.402	3.529	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2cccc(Cl)n2)cc1	817011232	LADPEIILQJVDJZ-UHFFFAOYSA-N	317.820	3.619	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1ccn(C(C)C)n1	836588605	QPBYKXQRLRZARQ-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CCCC2(F)F)c(C)c1	838674798	WQPINJPGPYLCRC-ZDUSSCGKSA-N	311.376	3.673	50	20	DHGD	
CC(C)(C)c1cnc(CNC[C@@]2(C)C[C@@H]2Br)s1	856809116	JOCCLDGRPPNOBL-TVQRCGJNSA-N	317.296	3.704	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NC[C@]1(C)C[C@H]1Br	857394239	LLYABCMTYVDBII-GYSYKLTISA-N	304.272	3.739	50	20	DHGD	
CC[C@H](Cl)c1nc(=O)c2cc(Br)c(C)cc2[nH]1	864356747	YJVGVQGDEXHQQS-VIFPVBQESA-N	315.598	3.684	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccc(Cl)nc2)s1	895884028	LCGHZERXDXUEIY-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
CCn1cncc1/C=C(\C#N)n1c(C(C)C)nc2ccccc21	901517905	JEYWJWBXLMSLAV-NTEUORMPSA-N	305.385	3.898	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1sc(C(C)(C)C)nc1C	915109693	FPCOYOJDMPOCSF-UHFFFAOYSA-N	311.451	3.998	50	20	DHGD	
CCn1nc(C)c(NC(=O)NNc2ccc(Cl)cc2C)c1C	930670541	LCOMYYRVFZUWPW-UHFFFAOYSA-N	321.812	3.630	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(CSc2ccc(C)cc2)o1	1326049771	MFFLXFZZBRLRFN-FMIVXFBMSA-N	301.371	3.571	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)c1ccc(OC)cc1	1335347339	OSYGOPAOORDJSW-UHFFFAOYSA-N	310.397	3.824	50	20	DHGD	
CCCC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@H]1CC1(C)C	1776045941	UCJVJZGUPZIADY-CYBMUJFWSA-N	317.389	3.709	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	1776682883	DFSOTXAGLFEDQT-FLIBITNWSA-N	305.761	3.950	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1F	43079623	VZHISHPEERNWGM-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	66326018	FGTMUXKBHQUCLE-AWEZNQCLSA-N	304.340	3.992	50	20	DHGD	
COc1ccc2cc(CNC(=O)NNc3ccccc3)ccc2c1	79602326	WKUJNKMFFIDGCF-UHFFFAOYSA-N	321.380	3.675	50	20	DHGD	
O=C(NCCCSc1ccc(F)cc1)NNc1ccccc1	114911594	ZBGVEZSRBAWFCW-UHFFFAOYSA-N	319.405	3.634	50	20	DHGD	
CCc1ccsc1C(=O)NNc1cccc2c1CCCC2	119975895	SZEBXTDBKYBDLV-UHFFFAOYSA-N	300.427	3.946	50	20	DHGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1ccc(F)cc1F	131242627	GBPGJJLETWVEIK-NSHDSACASA-N	312.360	3.536	50	20	DHGD	
C[C@H](CSCc1ccccc1)C(=O)NNc1ccccc1	151249278	AAOIVHBXXQUENM-CQSZACIVSA-N	300.427	3.699	50	20	DHGD	
CCn1nccc1/C=C(/C#N)C(=O)Nc1cccc2ccccc12	152140092	RCYDBHTVMDYJFR-QINSGFPZSA-N	316.364	3.602	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2cccc(Br)c2)c1	152215985	GDARBENAKZKYKU-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2cccc(C#N)c2)cc1	152285193	SYXIDTBPAVFNKX-CQSZACIVSA-N	307.397	3.758	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccncc1Cl)c1ccccc1	154673882	ZDFXODSOCNHEKS-CYBMUJFWSA-N	303.793	3.762	50	20	DHGD	
CO[C@](C)(C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	159437462	NKTVCHRBBZAUNV-IBGZPJMESA-N	312.413	3.617	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c1	174054093	HXAJFMCGPUTOJV-WOJGMQOQSA-N	320.392	3.996	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1C[C@H]1c1cccc(F)c1	182438073	YIFONHPPISJRBT-MLCXVWHNSA-N	324.330	3.544	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)c1ccccc1OC(F)F	183402030	NPAINJJRKWGBIA-FMIVXFBMSA-N	315.275	3.783	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2cc(C)cc(C)c2)s1	193193827	RXJHJNLBVNNKPC-UHFFFAOYSA-N	303.431	3.778	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(O)cc3)c[nH]c2c1	255064321	LZHIPYXMNWFJQL-NTEUORMPSA-N	302.333	3.972	50	20	DHGD	
N#C[C@]1(C(=O)NNc2ccc(Cl)cc2Cl)CC12CCCC2	295600501	YBIFYXYWRPDZEB-HNNXBMFYSA-N	324.211	3.911	50	20	DHGD	
N#C/C(=C\c1nc(Cl)cs1)C(=O)Nc1ccccc1Cl	490781860	FQHNECZNKVEAMZ-VMPITWQZSA-N	324.192	3.996	50	20	DHGD	
C[C@H](CBr)CN(C)Cc1ccc(Cl)c(F)c1	688925691	MGCCUZZAGMAELA-SECBINFHSA-N	308.622	3.942	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cccc3ncccc23)cc1	730147339	STWXBHQWJGFZGW-UHFFFAOYSA-N	321.405	3.721	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C[C@H](C)CC)c1C	731998279	SGSYESQJYYCXMH-XWAFYUISSA-N	315.461	3.926	50	20	DHGD	
CCC1CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CC1	733077303	RJHPYDPXMDMWFD-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)c2cccc(OC(F)F)c2)C1	734979535	RQJIEIMVRSXTIY-LLVKDONJSA-N	310.344	3.974	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)ccc2F)n1	734981663	TXIDQGUMUZHLHZ-GHXNOFRVSA-N	316.357	3.832	50	20	DHGD	
C=CC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	735066912	ZIUSVRFGXVRYSC-HIXWQLQUSA-N	313.445	3.893	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc(OC)c1	735618541	BLJGWFWXCKMGQC-VGOFMYFVSA-N	319.364	3.953	50	20	DHGD	
Cc1cc(C)cc(C[C@@H](C)NC(=O)NN(C)c2ccccc2)c1	743669739	DLAFVKGNFJBJSW-MRXNPFEDSA-N	311.429	3.585	50	20	DHGD	
CCCCSCCC(=O)NNc1ccc(Cl)c(F)c1	746697053	HYYNAKPXSYVPJZ-UHFFFAOYSA-N	304.818	3.846	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc(Cl)cc1	748571617	KHIRKPWZQCVZKS-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H]2CCC[C@H](C)C2)cccc1[N+](=O)[O-]	748669876	JWFZSRASDBXZOW-WCQYABFASA-N	305.378	3.563	50	20	DHGD	
Cc1c(NNC(=O)CCCC2CCCC2)cccc1[N+](=O)[O-]	748684898	FFNOWXAMINDWDK-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
Cc1ccc(C=NNC(=O)OC(C)(C)C)c(Br)c1	753693155	PVTSCHBIJLZJMT-UHFFFAOYSA-N	313.195	3.616	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)CNc1ccc(C)cc1	764896200	NQQQRKZVVMNFLH-UHFFFAOYSA-N	315.442	3.593	50	20	DHGD	
CC[C@]1(C)CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768198740	JNNOIICWQUDIIL-BXUZGUMPSA-N	304.272	3.835	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3ccccc3F)n2c1	771847252	GJPXCUZPNMZELT-JYRVWZFOSA-N	305.312	3.572	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)CC[C@@H](C)c1ccccc1	772845968	WSTZXLMZHNFPHC-CQSZACIVSA-N	312.417	3.627	50	20	DHGD	
CSCc1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	775613924	VYYUARRUTOZWBT-UHFFFAOYSA-N	312.398	3.570	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccccc2)nc1)C(=O)C1CCCC1	781555487	JVBPBEAPJUKAJN-LICLKQGHSA-N	303.365	3.810	50	20	DHGD	
Cc1ccc(N2CCN(/C(=C/C#N)c3ccccc3)CC2)cc1	784395294	XRDGYLFPVHZDBZ-RGVLZGJSSA-N	303.409	3.682	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C)c(Cl)c1F	790000414	GBLPCPQSYQZEBM-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1ccc(Cl)c(OC)c1	790188503	FBSYYSOXHPZOGT-SNVBAGLBSA-N	316.854	3.714	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Sc1ccc(Cl)cc1	791113865	OIYAMUJLOHPYGK-VIFPVBQESA-N	321.920	3.948	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(C2CC2)cnc1Cl	793708406	CHFZDTQJINZZEQ-UHFFFAOYSA-N	305.740	3.508	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)C(C)(C)c1ccc(F)cc1	794568079	OHMKCINHJUFLQH-UHFFFAOYSA-N	313.376	3.613	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)c1ccc(C(F)(F)F)cc1	799000496	JCIHWCDHCNWKJM-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
O=C1N=C(N2CCCCC2)S/C1=C\c1cccc(CCl)c1	799890272	FUOYWCBATYJARE-UVTDQMKNSA-N	320.845	3.882	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ccc(Cl)nc1	802553568	PDMROZQWKHZFOL-LSDHHAIUSA-N	315.804	3.544	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H]1C1CCOCC1	808745337	QYPHSVVGVBJATQ-INIZCTEOSA-N	313.558	3.899	50	20	DHGD	
CN(NC(=O)NC[C@@H](c1ccccc1)C1CC1)c1ccccc1	814419976	GMPXIPXHZNIONQ-SFHVURJKSA-N	309.413	3.531	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(C)nc1C	814732703	UKCCCDBIAXNIKM-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ncccc1Cl	815853401	IXPVRFUHBKRHLG-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CN(NC(=O)c1cc(C2CC2)nc2ccc(Cl)cc12)C1CC1	819648620	LONDKUUUDZYKKA-UHFFFAOYSA-N	315.804	3.505	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cnn(CC(C)C)c2)c(Cl)c1	836435894	JMPJPERYCLDECA-UHFFFAOYSA-N	321.812	3.650	50	20	DHGD	
CCCn1c(SC/C=C\C#N)nc2cc(Cl)ccc2c1=O	839974502	UJACXBMEPRNXKU-ARJAWSKDSA-N	319.817	3.632	50	20	DHGD	
CC1(CC(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CC1	846378682	KDIGQYWEVHAYLF-UHFFFAOYSA-N	306.715	3.992	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)N(C)CC(Cl)Cl	848085173	PYUIGQAJSDSOAV-LBPRGKRZSA-N	302.245	3.826	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)C1CCC(F)(F)CC1	852219899	ZCQFICZZHUWXCS-DLOVCJGASA-N	310.226	3.964	50	20	DHGD	
CCCC[C@H](C(=O)NNc1ncnc2ccsc12)C(C)C	857156797	XKYTYXFGQWXSDJ-NSHDSACASA-N	306.435	3.597	50	20	DHGD	
CC(C)Nc1cccc(-c2cn(/C=C\CBr)nn2)c1	881295661	SHAUAKPYHVFPPB-YWEYNIOJSA-N	321.222	3.631	50	20	DHGD	
CCCN(N=Cc1cc(C)cc(OC)c1O)C(=O)OC(C)(C)C	884465210	SAOCFRQJSKNFOR-UHFFFAOYSA-N	322.405	3.690	50	20	DHGD	
CC1(O)CN(Cc2cccc(S(F)(F)(F)(F)F)c2)C1	894831656	YHOSHWFAKOJPNX-UHFFFAOYSA-N	303.296	3.911	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)o1	899345957	ZAJAWLRRBVNOHB-WQLSENKSSA-N	316.382	3.703	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccccc2OC(C)C)cc1	916329250	ASPDCYFKQUFBLJ-UHFFFAOYSA-N	310.397	3.800	50	20	DHGD	
C=C(Cl)COC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	916609586	ZQXRZPZEUUQUOA-OVCLIPMQSA-N	306.793	3.718	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)CC(F)(F)F)c2ccccc12	917551541	RBKKIEHSYAHAGZ-UHFFFAOYSA-N	324.302	3.641	50	20	DHGD	
Cc1cc(C=NN(C)C(=O)OC(C)(C)C)c(C)n1CC(C)C	920381461	SCWGMZXUAMJJRL-UHFFFAOYSA-N	307.438	3.962	50	20	DHGD	
CCN(Cc1ccc(OC)cc1)C(=O)C1CCC(Cl)CC1	1263705590	BOSJBTTVPLKYHS-UHFFFAOYSA-N	309.837	3.841	50	20	DHGD	
CS[C@@H]1CC[C@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)C1	1325600924	OBAUAFHKLZKURN-HBNTYKKESA-N	322.312	3.539	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc(F)c1	72085918	SHLCSHOGHHIHGS-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)NC2CCCCC2)s1	78007632	LMJBOFPOMBQAFA-XFXZXTDPSA-N	317.458	3.796	50	20	DHGD	
O=C(NNc1cnccn1)c1cc(-c2ccccc2)ccc1Cl	114881777	PJABJVWPGREIND-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2c(Cl)cccc2Cl)cc1	155543366	PIJWCDLYGTWEIH-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCC[C@@H]1C(F)(F)F	158113916	LPHXKBXIBAHJJY-UWVGGRQHSA-N	322.277	3.777	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cnc3ccccn23)ccc1[N+](=O)[O-]	180572288	VXISGVAJLDHGQK-NTEUORMPSA-N	304.309	3.615	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)nn1C	181143343	VQWJIGJMBQRIIJ-UHFFFAOYSA-N	314.433	3.598	50	20	DHGD	
N#C/C(=C/c1ccccc1Br)C(=O)c1ccco1	212649165	WWJCYUAHQRAGHN-FLIBITNWSA-N	302.127	3.832	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)c2ccccc2Cl)cc1	254372396	JCMXXBSNOYCBOU-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CC[C@@H](CC(F)(F)F)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490878403	ODGDEJUCEXNZST-HJTPGIPUSA-N	314.282	3.580	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c(C)c1	491012587	ROTPTHRTPPZBMH-RVDMUPIBSA-N	322.364	3.645	50	20	DHGD	
Fc1ccc([C@H]2CC[C@@H](CI)OC2)cc1	536958969	UVLSETQZYMMJEX-JQWIXIFHSA-N	320.145	3.523	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)Nc1ccc(F)c(Cl)c1	588523754	SSDYDQQLQRNKEF-YHYXMXQVSA-N	319.698	3.559	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)C1CCCC1	733076927	YYJDDECBJHMWCB-HNNXBMFYSA-N	302.418	3.753	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccnc(Oc2ccccc2)c1	748089839	VYFWIBPTQYWLLH-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1cccc(C)c1	748840330	DWPDGCVPCYLHQU-OAHLLOKOSA-N	318.804	3.949	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)[C@H](C)Oc1ccccc1F	749157752	CZYBAGBOPVIAHW-AWEZNQCLSA-N	306.381	3.832	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)Oc2cccc(Cl)c2)cc1	749200388	FKHMTIRPPHSSBB-UHFFFAOYSA-N	318.804	3.949	50	20	DHGD	
Cc1ccc(O)c(NC(=O)CCCC[C@@H]2CCSS2)n1	753471260	UNKGLVFTUORUQW-LLVKDONJSA-N	312.460	3.748	50	20	DHGD	
COC1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCCC1	754280967	KLTCRQDXBAOVAQ-UHFFFAOYSA-N	321.179	3.535	50	20	DHGD	
C=CCCC(C)=NNC(=O)c1ccc(OCCCC)c(OC)c1	758082337	CEAHCYIPTJDEGQ-UHFFFAOYSA-N	318.417	3.946	50	20	DHGD	
CCCOc1c(/C=C(\C#N)c2ccncn2)cccc1OCC	758912555	NRVBVIOPLDRKJG-RVDMUPIBSA-N	309.369	3.728	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-c2cc[nH]n2)s1	761446896	IALCKIASFZXMJA-UHFFFAOYSA-N	318.789	3.549	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cccc(F)c12)c1cccc(Cl)c1	763346400	PJLULGQDLFETKQ-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(O)cs1	764329574	WYEILZRWPZLGGJ-UHFFFAOYSA-N	303.170	3.517	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)C1CCCCC1	768249933	FFIJHTGSMWVBJF-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1cc(C)ccc1C	768311997	RVMVLNCTMBLTCY-NVXWUHKLSA-N	304.434	3.732	50	20	DHGD	
O=C(Cc1ccc2c(c1)CCC2)NNc1c(F)cccc1Cl	770198264	NWYLJVUVWDVAJA-UHFFFAOYSA-N	318.779	3.654	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cnccc1C	771549460	DHJJNSHSWIFHLP-UHFFFAOYSA-N	322.195	3.851	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(Oc2ccccc2)o1	779708354	ULODRDLEEUGKHS-WYMLVPIESA-N	310.353	3.895	50	20	DHGD	
CCN(C(=O)[C@H](Br)C(C)(C)C)c1ccc(F)cc1	781068865	QXRUMSGGIDIRLX-LBPRGKRZSA-N	316.214	3.988	50	20	DHGD	
CCS[C@@H]1CCC[C@@H]1NC(=O)[C@@H](Br)C(C)(C)C	781095987	DJSDPSHZBRRXBK-HBNTYKKESA-N	322.312	3.586	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@H](C)C[C@@H]2C)cc1	783831406	KQTKRPJWZPZHGF-KBPBESRZSA-N	302.418	3.556	50	20	DHGD	
Cc1ccc2c(c1)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)CCC2	787347699	XDCZATPWIFPZRZ-ATVHPVEESA-N	318.376	3.587	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cn1	790098408	ALUHSDCNAWZGRE-GDNBJRDFSA-N	323.371	3.855	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@H]1CCCSC1	790421842	ZYXRPXYGEXPRDH-JTQLQIEISA-N	320.245	3.515	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791071117	WXPNFAQKOPGTGZ-JTQLQIEISA-N	311.357	3.639	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CCCc2occc21	799545976	HDBPYGKFLUMXEC-HNNXBMFYSA-N	313.401	3.854	50	20	DHGD	
CC[C@@H](C)n1ncc(C(=O)N(C)CC(Cl)Cl)c1C1CC1	808247431	ZIHZXNIQDJCSIM-SECBINFHSA-N	318.248	3.607	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2C#N)cc1	811685806	CUVJZLMFGXZVPJ-GDNBJRDFSA-N	319.339	3.805	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cccc(F)c2C#N)nc2ccccc21	811685934	IBCULDBTISNWDA-LCYFTJDESA-N	302.312	3.648	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C(C)C)nc1C	815350362	OPJBULMXQWGCML-UHFFFAOYSA-N	312.207	3.621	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(C)n(Cc2ccccc2)c1C	819806732	ZHKHCBBPCGTEHF-AWEZNQCLSA-N	311.429	3.649	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2oncc2c1	821028103	OHGYWCTUTHUBBS-RIYZIHGNSA-N	303.321	3.682	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCc3cc(F)ccc32)c(C)c1	830791122	BCFONKHBOXNTEE-KRWDZBQOSA-N	312.388	3.924	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(C)cc1Cl)c1ccncc1	838491807	UXFLLVJNAIDMNU-AWEZNQCLSA-N	318.808	3.821	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H]2CCCC(F)(F)C2)c(Cl)c1	838522301	FNFNDZBXSYASAK-JTQLQIEISA-N	317.767	3.852	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCN2CCCCC2)C1	852521732	ALOCEVKZSGNAGO-MRXNPFEDSA-N	312.574	3.568	50	20	DHGD	
N#CSCCCNC(=O)CC1(CSc2ccccc2)CC1	854361242	SBDNQTJLHWFQDJ-UHFFFAOYSA-N	320.483	3.670	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C1=CCCCC1	856234982	OBLAXHQZTKPOFD-UHFFFAOYSA-N	307.806	3.893	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2cc(Cl)ccc2F)cc1C	871271218	HPQHSQUNVKIODZ-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H](F)CC2CCCCC2)nn1	1116877020	KBOIJOOHFWXEDB-ZDUSSCGKSA-N	322.428	3.526	50	20	DHGD	
C[C@]1(CNCc2ccccc2N2CCCC2)C[C@H]1Br	1118752943	VCZHLZPLZQTHJQ-HZPDHXFCSA-N	323.278	3.550	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(CC(=O)O)cc2)c1C	1777443778	ZWISTXWZPGQEEL-LICLKQGHSA-N	319.360	3.720	50	20	DHGD	
CCCCOc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OC	43080312	OHNJPSWTMTYMQZ-GDNBJRDFSA-N	317.385	3.733	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccccc1OC(F)F	91987432	FHCSTOVCPYAMSJ-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H](c1ccccc1)c1nccs1	114958337	HUIRAEWTEVEDEB-HNNXBMFYSA-N	324.409	3.559	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)c1	158680203	MRFHRPWTQOBZBN-HVTDRFSQSA-N	322.339	3.936	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2Cl)oc2c1C(=O)CCC2	178979370	HHDLUDAUDNOGGP-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H](c1ccccc1)C1CC1	179270143	GZUGVJVHQPFSNW-INIZCTEOSA-N	320.314	3.741	50	20	DHGD	
C[C@H](Br)c1nc2sc(C(C)(C)C)cc2c(=O)[nH]1	184761195	HTQQMVYWUPSCLU-LURJTMIESA-N	315.236	3.738	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2sccc2-n2cccc2)c1	193230952	AYDXDCXBDPNWRJ-UHFFFAOYSA-N	311.410	3.913	50	20	DHGD	
Nc1cccc(C(=O)NN(c2ccccc2)c2ccccc2)c1	195279312	ITABYXMGTSFGMW-UHFFFAOYSA-N	303.365	3.752	50	20	DHGD	
CCc1cc(NC(=O)CCCC[C@H]2CCSS2)n(C)n1	265354126	KUKPWDYOCMBEMZ-LBPRGKRZSA-N	313.492	3.635	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccc2c(O)nccc2c1	285788366	TXWOSSCMUNMWAT-ZDUSSCGKSA-N	315.417	3.990	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1sc2ccccc2c1Cl	588555079	DYWSYQSQAKWZHE-VQHVLOKHSA-N	311.815	3.854	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2C=C(C)CCC2)cc1OC	727257096	UDYSOPUNVXVOAQ-UHFFFAOYSA-N	316.401	3.700	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)NC1CCCCC1	733947760	GQTANHDCCAZOFM-OAHLLOKOSA-N	323.481	3.646	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	735669255	CIGVXPVTHSVXCL-FOWTUZBSSA-N	313.360	3.948	50	20	DHGD	
CCc1cc(CNC(=O)CCCC[C@H]2CCSS2)on1	741217481	UHXDPWMAHOGTRJ-ZDUSSCGKSA-N	314.476	3.567	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cc3ccccc3c(Cl)n2)c1	748041350	OTAGQMHFAVTDKM-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1Br)C1CCCC1	748070396	NVBXXCJWUDGIRH-JTQLQIEISA-N	311.223	3.719	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc2c(F)cccc2s1	748099267	XKWWNFWZINFMLY-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
Cc1cccc(OCCCC(=O)NNc2ccc(F)cc2C)c1	748550044	XEQGYCWWNKQJDK-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
O=C(NN=Cc1ccnc2ccccc12)c1cc2ccccc2o1	749823671	OANAPZBDGKXOJA-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(CC)CCC2)cc1	752793342	WNOQYWPSGJUFDR-FOWTUZBSSA-N	312.413	3.689	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2ccc(C#N)c(Cl)c2)C[C@H](C)C1	753306478	NTUHGCNBPCHQMH-GHMZBOCLSA-N	305.809	3.727	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3c(C)cccc3F)cc2s1	762275920	IJEJPOQVOFDCGY-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)C1	762817477	IHDBWJCCSOINCX-VUBLIPMDSA-N	323.318	3.767	50	20	DHGD	
CC1CCC(=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)CC1	764811459	TVZBRIHUSBBYLS-UHFFFAOYSA-N	314.364	3.512	50	20	DHGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	765993411	NBNLMJSIHJSOPX-GFCCVEGCSA-N	310.401	3.619	50	20	DHGD	
CCC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)C(C)(C)C	766696273	PQMIFLVRNYKWRO-UHFFFAOYSA-N	323.418	3.615	50	20	DHGD	
CCCCOc1ccccc1C=NNC(=O)c1ccc(C#N)cc1	767379581	KGWCORVFMFDGDY-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H]1Cc1ccccc1	768222813	KVFJIUVSAPGJQY-UONOGXRCSA-N	324.262	3.640	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc2cc(F)ccc2o1	770375525	QRCGXIIOINUMDT-QMMMGPOBSA-N	315.138	3.760	50	20	DHGD	
Cc1cccc2ncc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)n12	773173881	ZIDDYTPLUNXYKL-QPEQYQDCSA-N	323.302	3.711	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CC[C@@H](Cc2ccccc2)C1	783022575	GJISSCQHJIEWDJ-WMZOPIPTSA-N	309.413	3.724	50	20	DHGD	
CC(C)[C@H](F)C(=O)NNc1ccc(Br)cc1Cl	784449075	UDARXSZPFDMJRX-JTQLQIEISA-N	323.593	3.540	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	784685015	WLIBOFKDXMPBQD-LBPRGKRZSA-N	323.393	3.653	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1)c1c[nH]c2ccccc12	786826881	AHGFTVISDZXTQL-LBPRGKRZSA-N	311.360	3.944	50	20	DHGD	
CC(C)(C)CCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	787318865	NHCZXJKARYIGQK-QINSGFPZSA-N	300.402	3.632	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccccc2C)ccc1Cl	788541567	UYMMYHDHGCSENM-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
CSSCCNC(=O)c1cc2cc(F)ccc2s1	791100710	UVTNHNXMYMOSIG-UHFFFAOYSA-N	301.433	3.781	50	20	DHGD	
COCCC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCC1	791731652	RWGJSJASUAKIQT-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
CCCc1nc(C)c(NC(=O)NCCSSC)s1	794302318	QOJXIVUANKWUKG-UHFFFAOYSA-N	305.494	3.537	50	20	DHGD	
CC(C)SCCNC(=O)CCCC[C@@H]1CCSS1	805225829	UOKAWGGWUWPFCI-GFCCVEGCSA-N	307.550	3.958	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCCc1cncs1	811128579	WQXMWFLEGPWWBU-NSHDSACASA-N	317.501	3.943	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)Nc2cc(F)cc(F)c2)cc1	815007121	OWIRWYHEAJSFHX-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3ncccc3Cl)CCC2)cc1	819878754	IVKBUDGVDAGCEB-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3c(c2)CCOC3)cc1	831899692	JFTIFUHHBIDBOL-UHFFFAOYSA-N	324.424	3.814	50	20	DHGD	
CCC(=NNC(=O)[C@@H]1CCO[C@@H]1C)C12CC3CC(CC(C3)C1)C2	842561296	PWUMGZUKQDHRRW-KZUMUSTHSA-N	318.461	3.510	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2csnn2)C1	844338115	YBZMGSYIDPLGMH-ZDUSSCGKSA-N	313.543	3.524	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855469646	MMXWHNYRNYRTGR-UHFFFAOYSA-N	303.793	3.835	50	20	DHGD	
CCc1ccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)cc1	856809753	FONUAZQZDRGAOQ-GXTWGEPZSA-N	311.223	3.544	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2C(F)(F)F)C[C@H]2CC[C@H]1C2	858278530	BOUOWHRHUPDLLV-ZIBATOQPSA-N	312.335	3.975	50	20	DHGD	
CC(C)Cc1c[nH]c(C(=O)NNc2ccc(F)c(Cl)c2)c1	863083187	ZNMROBILQIGNRU-UHFFFAOYSA-N	309.772	3.763	50	20	DHGD	
O=C(NN=Cc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1	916254194	MJNCYXDLMQZMRX-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1csc(-c2ccc(C)cc2)n1	918713423	XWIAFZJJMKGBDT-LBPRGKRZSA-N	301.415	3.615	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(Cl)c(C)c2)CCO1	928340267	VMINGAKJGOVPHV-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(C(C)(C)C)nn1	1318683127	POJNSJSWEOXEOC-CYBMUJFWSA-N	306.454	3.824	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@H]2CCC[C@H](C)C2)cc1Cl	1321768891	OQMAHSLSGXIMLO-FZMZJTMJSA-N	310.825	3.687	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3ccccc3n2CC)cc1	1324371904	RMOKHFAQCZKUKB-UHFFFAOYSA-N	323.396	3.817	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)c(C2CC2)n1	1325511587	PTDHWSKOIZVCPH-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
CC(C)OC1CCC(NC(=O)c2cccc(CCl)c2)CC1	1335894461	VALFIFXXWHXOOY-UHFFFAOYSA-N	309.837	3.891	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)c1	1339575193	NBNTWBCQRSFISM-BOPFTXTBSA-N	318.376	3.730	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)o1)C(=O)c1cc2ccccc2o1	1601046056	UGMGPYHHOMMTME-YRNVUSSQSA-N	307.261	3.514	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1cccc(C(=O)O)c1	1776094969	XBXRJNUVEFYULT-IOQKDPEHSA-N	314.385	3.793	50	20	DHGD	
CCC(C)(C)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	80121599	XVZDTGMDEOXRHR-UHFFFAOYSA-N	317.882	3.667	50	20	DHGD	
CC(C)OCc1cccc(NC(=O)NNc2ccc(F)cc2)c1	92599350	ZJPQUBCHCJGJEG-UHFFFAOYSA-N	317.364	3.899	50	20	DHGD	
CCC(CC)(C(=O)NNC(=O)C(C)(C)C)c1ccc(Cl)cc1	102636010	RBYJEROBJOTHIB-UHFFFAOYSA-N	324.852	3.591	50	20	DHGD	
Cc1ccccc1[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	114224238	BVUHTLGPSSNQOE-GFCCVEGCSA-N	319.836	3.538	50	20	DHGD	
Cn1ccc2c(C(=O)NNc3cccc4c3CCCC4)cccc21	120125350	HPLRKTZJIXAKJF-UHFFFAOYSA-N	319.408	3.814	50	20	DHGD	
CCC(CC)(C(=O)NNc1cccc(C#N)c1)c1ccccc1	152422882	JFHXZVVDMINZBV-UHFFFAOYSA-N	307.397	3.759	50	20	DHGD	
O=C(NNc1ccncc1)c1ccc(Oc2ccccc2)cc1	180470588	PJEHMBAIBIDVAQ-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
Cc1c(C(=O)NNc2ccccn2)sc2ccc(F)cc12	181234443	WHNVLRLRMBLKSP-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CSc1cccc(C)c1NC(=O)NNc1ccc(C#N)cc1	185716500	ATCNOWHOYJUSOZ-UHFFFAOYSA-N	312.398	3.737	50	20	DHGD	
O=C(NNc1ncnc2ccsc12)c1ccc(C2CCC2)cc1	189511381	XXXZKTMUNHRFOT-UHFFFAOYSA-N	324.409	3.716	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)c2nnc3n2CCCCC3)c1	192549374	PZESRKRKVVVXRI-FOWTUZBSSA-N	320.396	3.633	50	20	DHGD	
CS[C@H]1CCCCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	255025606	UYKXJFRMINEMOQ-HVVQPJKBSA-N	317.414	3.677	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cc(C2CC2)n[nH]1	264027598	LPIBZYMJFJMTQT-NSHDSACASA-N	311.476	3.940	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(O)cc1	728692221	CMTYRORXUJUPLJ-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
CCC[C@H](C(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	730289299	KPBVHSKAVJAVIU-INIZCTEOSA-N	319.408	3.684	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccc(F)cc1C	731316948	QPFFIRBIAWKLSX-UHFFFAOYSA-N	321.355	3.836	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1cc(F)c(F)cc1F	734551722	RJKKCVFOFBKRLL-UHFFFAOYSA-N	324.302	3.648	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H]1CSc2ccccc21	735587357	UDMFNSGSUYSUSZ-ZDUSSCGKSA-N	319.817	3.813	50	20	DHGD	
CC(C)[C@@H](C(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	743339961	VJHHJPJARJLBQH-LJQANCHMSA-N	319.408	3.540	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)C(C)(C)C)c2cccc(Br)c21	743438342	RZCUOGOLCKCXRZ-SECBINFHSA-N	323.234	3.823	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1cc(F)c(F)c(F)c1	746701324	JRMFESXYOHXDGU-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
COc1ccc(C=NNC(=O)CC(C)C)cc1OCCC(C)C	747611813	ZWPOQHOFYQXQBI-UHFFFAOYSA-N	320.433	3.616	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3ccccc3Cl)[nH]c2c1	748314508	HLNDZHKUAHDICY-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccccc1Cl	748315123	PNHPXWZTAFHBKE-MRXNPFEDSA-N	318.804	3.949	50	20	DHGD	
CCC(=NNC(=O)CC1CCCC1)c1ccc(OC)c(OC)c1	749449585	ICJACJJTGDRRMB-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@H]2C)c(C)n1CC(C)C	751991512	SSNXHAPWYPODNE-YFEUJDIGSA-N	313.445	3.679	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)c1cc2ccccc2o1	753249520	LERMBNSDMBITRZ-UHFFFAOYSA-N	316.401	3.800	50	20	DHGD	
N#C/C(=C\c1ccc(-c2cccc([N+](=O)[O-])c2)o1)c1ccncn1	758911779	KYPXKHZTOBCROL-UKTHLTGXSA-N	318.292	3.709	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccccc2C(F)(F)F)C1	759129429	HAUWHHBRTGXADM-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@H]2CC[C@@H](C)C2)c(Cl)c1	759490566	RQYBMRVJYGNCSK-PWSUYJOCSA-N	323.824	3.627	50	20	DHGD	
CC[C@@H](C(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	764263817	MBAMMWHFQVZSON-GFCCVEGCSA-N	308.303	3.741	50	20	DHGD	
CC[C@]1(C)CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768198753	JNNOIICWQUDIIL-SMDDNHRTSA-N	304.272	3.835	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1ccc(Br)c(F)c1	771681168	PKNZFOWUURXNFR-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
CC(C)[C@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	781795995	ZRMDPIJOFHDNKP-NWDGAFQWSA-N	304.272	3.691	50	20	DHGD	
CC[C@@]1(C)Oc2ccc(NC(=O)NNc3ccccc3)cc2O1	785871452	JCMDINJAWDOOHQ-KRWDZBQOSA-N	313.357	3.733	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCCCC1	787290634	PPMTYPCQCOKZQE-XSVZSIDJSA-N	312.413	3.774	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1ccc(F)c([N+](=O)[O-])c1	788149295	PVKQUSKJBTZYRX-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
N#CC(C#N)=Cc1ccc(OC(F)(F)F)c(Br)c1	794865608	KAGBIJLNGVZKTO-UHFFFAOYSA-N	317.064	3.778	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CC1(Cl)Cl	794950480	XSQQOOKGQVJZJN-NSHDSACASA-N	301.217	3.755	50	20	DHGD	
Cc1cnc(CNCc2ccc(OCCCCl)cc2)s1	798184979	LAHBPFUFJUZCMD-UHFFFAOYSA-N	310.850	3.749	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc2oc(C)nc12	799758011	SWYGGWQRQHRGRA-UHFFFAOYSA-N	309.369	3.764	50	20	DHGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)c1ccc[nH]1	800809685	UZYADFIGDLXHDU-UHFFFAOYSA-N	323.318	3.772	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	803109590	RNURONGNPJFHIO-QLFBSQMISA-N	324.428	3.679	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CC[C@H](c3ccccc3)C2)c1	814836951	BIDDWOWCAZACGJ-INIZCTEOSA-N	303.365	3.612	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cccc(O)c1Cl)c1ccccc1	814844951	CVSDLMJXAIEGFA-CQSZACIVSA-N	316.788	3.690	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ncc(C(C)C)s1)c1ccccc1	814845098	GHGPGTPCBAHFOF-AWEZNQCLSA-N	315.442	3.910	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@@H]2CCc3ccccc3C2)cc1	817915376	KMKQLUMZBDGIAP-OAHLLOKOSA-N	324.424	3.724	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C[C@@]2(C)C[C@@H]2c2ccccc2)cc1	841605072	WHJMXLFMPRYWMQ-UYAOXDASSA-N	321.424	3.703	50	20	DHGD	
CSc1cccc(C(=O)NNc2c(C)cccc2C(C)C)n1	843890268	LFBUAIRNMIFHEV-UHFFFAOYSA-N	315.442	3.992	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ncccc2C(F)(F)F)CC1	844134289	LFKMHCBJZBDUAK-LLVKDONJSA-N	313.323	3.680	50	20	DHGD	
CCCO[C@@H]1CCCN(C[C@@H](CBr)C2CC2)CC1	859135608	XJQIVLCSZUOUGH-HUUCEWRRSA-N	318.299	3.689	50	20	DHGD	
Cc1ccc(CO[C@@H](C)C(=O)NNc2cc(C)cc(C)c2)cc1	860317144	WLTCFZBZTRTFFA-INIZCTEOSA-N	312.413	3.660	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(C)c2)cc1	861831444	XHHHCLCBVVVPHX-ZWKOTPCHSA-N	310.397	3.641	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1Cc2ccc(O)cc2C1	862608073	MYPQWAMFNURYIB-OAHLLOKOSA-N	323.483	3.949	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(Cl)cc2F)CCO1	885107631	MILPEZHJZWDJLU-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cc(C)sc1C	915973299	JGSCPBSKSWMVPZ-UHFFFAOYSA-N	307.806	3.567	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	915991651	DOIKIXFRIKSSPU-WZUFQYTHSA-N	324.771	3.951	50	20	DHGD	
CCCN(C[C@H](C)CBr)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C	1116630774	OXLCVPRDPBKNEW-RQJABVFESA-N	318.299	3.543	50	20	DHGD	
Cc1csc(C(=O)NNc2ccc(C(C)(C)C)nn2)c1Cl	1321048971	AKFNCHVUXYEOML-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CC[C@H]2CCOC2)C1	1326387672	KWVHFSVHQAJOJV-HOTGVXAUSA-N	313.558	3.899	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2cccc(Cl)c2)C1)C1CCOCC1	1333653241	CLDIIHYQGGNTNM-CQSZACIVSA-N	320.820	3.506	50	20	DHGD	
COc1cc(F)cc(NC(=O)[C@H](Br)C(C)(C)C)c1	1338071376	HKZZNRMIQAAKQM-NSHDSACASA-N	318.186	3.582	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1595663346	VBYUJXDALKHIMF-CYBMUJFWSA-N	324.396	3.820	50	20	DHGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1	20190831	CNOWUEUVKXDLQR-UHFFFAOYSA-N	309.818	3.577	50	20	DHGD	
CCOc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	45481022	BDJLMTUIKKWBKY-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)C(=O)c2ccsc2)c1	53107714	HISWDQIAOMDGRF-OQLLNIDSSA-N	313.378	3.563	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccc(OC(F)F)cc1	122547898	QPHQMLJSIHCNNM-UHFFFAOYSA-N	306.312	3.607	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(OC2CCCC2)cc1	154082176	SVLZHTGCMMQSEX-UHFFFAOYSA-N	314.360	3.904	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl	178967563	TXKBJTBHPPUQOV-WKMLFNHBSA-N	313.184	3.615	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cc(F)cc(F)c1)c1ccccc1	179172538	UUHQWRINWRSPDK-FKZYXTMDSA-N	312.319	3.749	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2nc3ccccc3cc2C)c1	181320812	ALHZYEXQZOXJQL-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NNC(=O)c1cc2ccccc2o1	182855871	AYXNFCRIZUACLF-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2ccc3ccccc3n2)ccc1C	194458585	KYCYVVFHJYDLRH-UHFFFAOYSA-N	319.364	3.503	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1ccc(F)cc1	255193561	ALKAIHOODMXNHT-QINSGFPZSA-N	317.323	3.801	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc2c(O)nccc2c1	285803410	VAEGGEZNWZRTLH-WFASDCNBSA-N	313.401	3.600	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccc(Cl)cc1	295607331	YOEAGRYIBUELIT-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
CCOc1ccc(-c2nc(NC=C(C#N)C#N)sc2C)cc1	727643359	SQBZBNACNSQVKH-UHFFFAOYSA-N	310.382	3.860	50	20	DHGD	
C[C@@H]1CCCC1=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	729143170	DBWKHBAXMYSLAQ-ZIAGYGMSSA-N	310.397	3.899	50	20	DHGD	
CCCC(=NNC(=O)CCc1ccccc1O)c1ccccc1	729935457	ZOUYVGLNSIVLTF-UHFFFAOYSA-N	310.397	3.645	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)C(C)(C)c2ccccc2)c1	731150705	LCBLERXQXNHNJT-UHFFFAOYSA-N	324.424	3.903	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1cnnc2ccccc12	733809900	LZLZPCKFXFNIOH-UHFFFAOYSA-N	312.417	3.824	50	20	DHGD	
CC(C)Oc1ccccc1[C@@H](C)NC(=O)NNc1ccccc1	734267757	CFPGEBJTTURFNR-CQSZACIVSA-N	313.401	3.861	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccsc2)cc1	744237069	CVGOQFKBYFJKAS-DHDCSXOGSA-N	313.378	3.797	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCC)c1C	745781966	GOTMWSMVAWRXLT-SFQUDFHCSA-N	301.434	3.680	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1cccc2cccnc12	747355849	FBOIVRXKZNRBSI-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
C[C@@H](NC(=O)NNc1c(F)cccc1F)[C@H](C)c1ccccc1	747591437	AVSRNIKNEXRCPH-NWDGAFQWSA-N	319.355	3.783	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc2cnccc12	748573937	PRMZWDOLDTXEMZ-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H](CC)OC	748669237	FMNOHBXKPXIPTQ-CQSZACIVSA-N	306.431	3.748	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@H]1CCCc2ccccc21	748759528	WNFFOXUUVMJWOF-SFHVURJKSA-N	317.392	3.798	50	20	DHGD	
CCC(=NNC(=O)c1cc(OC)cc(OC)c1)C1CCCCC1	750920871	DSUAXFMLLCFJMT-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)c1cccc(Cl)c1	754010221	GVAWEPUSLKJNBA-NSHDSACASA-N	310.825	3.563	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(-c2ccccc2)nn1	754472132	PDSFNQGMFRSFLP-GOEBONIOSA-N	324.428	3.803	50	20	DHGD	
O=C(NN=C[C@H]1CCc2ccccc21)c1ccc2ccccc2n1	755464706	YXNUVLZCWJITHL-MRXNPFEDSA-N	315.376	3.680	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3c(s2)CCC3)c(C)s1	760236469	XFVMPKJFMDKGGM-UHFFFAOYSA-N	304.440	3.679	50	20	DHGD	
CCCC1(C(=O)NNC(=S)Nc2ccccc2C(C)C)CC1	761540341	WIIDCZDEHCIZCJ-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1[N+](=O)[O-]	770572402	PTJRXDHUFXMUMT-WUXMJOGZSA-N	315.354	3.741	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1nccnc1C(C)C)c1ccccc1	772860415	QGYUOIOWODFYGG-MRXNPFEDSA-N	324.428	3.793	50	20	DHGD	
Cc1cccc(C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1	773105702	VQTXUWOOYVNFHN-CYBMUJFWSA-N	316.788	3.566	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)CSc1ccccc1OC	779784198	OWXKHZOWCSQBQT-ZDUSSCGKSA-N	320.458	3.860	50	20	DHGD	
COc1ccc(NNC(=O)Nc2ccc(C(C)(C)C)cc2)nc1	782006472	JJYWBOZVVPVIGK-UHFFFAOYSA-N	314.389	3.536	50	20	DHGD	
CCOc1c(Cl)cccc1C=NNC(=O)c1ccccc1	782097189	IIANYIATGFQUBB-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2c(F)cccc2F)CCC1	788513582	RVMZDDPHBWBSHM-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1ccccc1F	789994426	UOVHXLGZATXPDR-UHFFFAOYSA-N	304.390	3.836	50	20	DHGD	
Cc1cc(NNC(=O)CC(C)(C)C2CCCCC2)nc(C)n1	795112700	LEWHCLPXGVWNMW-UHFFFAOYSA-N	304.438	3.533	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	795115994	DWQKYFDOECVNGP-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)c1ccccc1	798141659	DDXNUTFBAIEKCE-LLVKDONJSA-N	318.808	3.500	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccnn1C(C)(C)C	799415197	WKEQINNVLRRXEC-UHFFFAOYSA-N	315.421	3.658	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@](C)(OC)c1ccccc1	799756640	GESPENLYMBPSNC-IBGZPJMESA-N	312.413	3.562	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)/C=C2/CC[C@@H](C)C2)c(Cl)c1	802050900	NDFQFMKFCZTVOT-WJEYQPDNSA-N	321.808	3.548	50	20	DHGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NCC(Cl)Cl	808128792	GJPJSRMGXCJURS-SSDOTTSWSA-N	312.649	3.741	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCSc1ccccc1F	808246654	HNURTNNHOABDLQ-UHFFFAOYSA-N	310.221	3.570	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCOC[C@H]1c1ccco1	808729314	YFXWFJBDQWTTIF-AWEZNQCLSA-N	311.498	3.675	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)Cc2ccc(Cl)cc2)s1	814756848	AWTFHMQVMJPQQW-UHFFFAOYSA-N	321.833	3.613	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CC1)Nc1ccc(OC(F)F)cc1	814856428	GUDCQHIQPPTYRG-GFCCVEGCSA-N	309.316	3.586	50	20	DHGD	
O=C(NN=Cc1ccncc1)Nc1ccc(Cl)cc1Cl	814996108	KSURJBBCVATFPA-UHFFFAOYSA-N	309.156	3.544	50	20	DHGD	
Cn1c(NNC(=O)c2csc3ccccc23)nc2ccccc21	816577114	XLSARODZEXGFOE-UHFFFAOYSA-N	322.393	3.545	50	20	DHGD	
CC(C)(C)c1ccc([C@H]2CCCN2S(=O)(=O)CCl)cc1	830069662	QZZXCGIXQUNUHJ-CQSZACIVSA-N	315.866	3.647	50	20	DHGD	
N#CC1(CC(=O)NNc2ccc(OC(F)F)cc2)CCCCC1	830810750	STDFGIMGUJQPAC-UHFFFAOYSA-N	323.343	3.595	50	20	DHGD	
Cc1occc1C=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	841610355	HOOPGLQBMUKSRA-JTQLQIEISA-N	302.399	3.538	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@H]1CC12CCC2	846465167	YXEXGEJIMOSTTA-QGZVFWFLSA-N	306.409	3.911	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(Cl)cn1)c1ccccc1	856094909	ZTSSXWXIPBGSJK-AWEZNQCLSA-N	303.793	3.762	50	20	DHGD	
O=C(CC1CCC1)NNc1ccc(Cl)cc1Br	856232898	PVSPOLJKCRRZMM-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
C[C@@H]1CN(C[C@H](CBr)C2CC2)C[C@@H](C)C1(F)F	859415477	VCPUKYXWAZCNFH-FOGDFJRCSA-N	310.226	3.631	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccsc1C(F)(F)F	863087007	UVLCDTHCXUXEDN-UHFFFAOYSA-N	304.337	3.797	50	20	DHGD	
C[C@H](CCc1ccc(F)cc1)C(=O)N(C)CC(Cl)Cl	868373397	OCCLJURZZMEVKY-SNVBAGLBSA-N	306.208	3.657	50	20	DHGD	
C=CC(C)(C)CC(=O)NNc1ccc(C#N)cc1C(F)(F)F	879869448	OFONFTSEKXZWQN-UHFFFAOYSA-N	311.307	3.622	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1C	907096766	HGVHJRMAJPYHQW-UHFFFAOYSA-N	310.397	3.880	50	20	DHGD	
N#CC(C#N)=CNc1nc2ccc(OCC(F)(F)F)cc2s1	915185104	FVOGIPHEWUSHIV-UHFFFAOYSA-N	324.287	3.580	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC[C@H](CC)C2)cc1	915197590	YVLKXUWMNUQMFD-ZKMNFCBKSA-N	312.413	3.641	50	20	DHGD	
COc1ccc2ccccc2c1C=NNC(=O)OC(C)(C)C	916266741	WNVPDTQRRRABIL-UHFFFAOYSA-N	300.358	3.707	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(OCCC)c1	917144030	WLDZGGAZBDBGGN-FOWTUZBSSA-N	300.402	3.689	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)N[C@H]1CCCC(F)(F)C1	921538038	JLXQANLMYWWXEC-VIFPVBQESA-N	321.730	3.683	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(N2CCCC2)cc1	1115862654	CEWJQJODGRNTLU-VBKFSLOCSA-N	306.365	3.978	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C(F)(F)c2ccccc2C)c1	1116410100	SYTCKHQDRUQZPF-UHFFFAOYSA-N	304.340	3.847	50	20	DHGD	
O=C(N[C@H](c1ccccc1)C(F)F)C1CCC(Cl)CC1	1521633100	PUKDBQDHWLUJHL-WXRRBKDZSA-N	301.764	3.907	50	20	DHGD	
C[C@H]1CCC(C)(C)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045646	BRQAYSAGWSEAEP-NSHDSACASA-N	317.389	3.709	50	20	DHGD	
CC(C)(C)c1csc(C2CCN(C(=O)[C@@H](F)Cl)CC2)n1	2088605788	RJVMPXKEYFOJPZ-LLVKDONJSA-N	318.845	3.681	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)c(OC)c1	32185463	IQGQVQQODCFPQG-NTUHNPAUSA-N	300.383	3.841	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2ccccc2C(F)(F)F)c1	72054973	ICZBJHMUNUHECX-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2c[nH]nc2C(C)(C)C)ccc1[N+](=O)[O-]	91541251	OKBXZQFWDLMKKQ-MDWZMJQESA-N	310.357	3.988	50	20	DHGD	
CC(C)Oc1cccc(CC(=O)NNc2ccc(Cl)cc2)c1	120107071	LCXICYIUMCQSLH-UHFFFAOYSA-N	318.804	3.813	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1C#N	132431723	FNXLHNKYXZJSPT-ZROIWOOFSA-N	300.321	3.507	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(Br)cc2)c1	150792311	JEYJLEGKJDNCHY-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C/C(=C/C(=O)NNc1cccc(C(F)(F)F)n1)C(C)(C)C	154814364	YEBHKKRVGIXOTD-HJWRWDBZSA-N	301.312	3.536	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1Cl)c1c(F)cccc1F	163779724	HBACTWCKYJRENW-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
N#C/C(=C\c1cnc2ccccn12)C(=O)Nc1ccc(Cl)cc1	172544114	PSDXNXMCTMCSNA-FMIVXFBMSA-N	322.755	3.533	50	20	DHGD	
N#C/C(=C\c1cc(O)ccc1Br)c1ccccn1	178985349	MOHQRBIPXQAYFD-YRNVUSSQSA-N	301.143	3.614	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc2ncsc2c1	179747451	VJDFIDRKZJELBO-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1ccncc1	180460614	UUDUEMNAXSQYFJ-CQSZACIVSA-N	312.417	3.603	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2[N+](=O)[O-])cc1	181118382	SDGWNIVAJNKMFC-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc2ncsc2c1	184096495	XIEFTSFIBXCWDE-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1oc2ccc(NC(=O)NNC(=O)OC(C)(C)C)cc2c1C	186461405	QKERRONPRAXOFY-UHFFFAOYSA-N	319.361	3.611	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1cc(Cl)ccc1Cl	190260180	WJEKOLZLESCDTF-NCXKZPMSSA-N	313.184	3.615	50	20	DHGD	
CCOC[C@H](NC(=O)CCCC[C@H]1CCSS1)C(C)C	190964991	RRQIAUZBUFBRGM-KBPBESRZSA-N	319.536	3.878	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1nc2ccccc2n1C(F)F	254763488	KAPYKWZVKWKFRD-UHFFFAOYSA-N	324.331	3.680	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCCCC1(F)F	296020175	LCJHZYVJRXHNPU-SSUFTNFISA-N	322.330	3.674	50	20	DHGD	
COC(=O)N(C)N=Cc1ccc(-c2nc3ccccc3s2)o1	495612990	ONVUEYPXFKWNBR-UHFFFAOYSA-N	315.354	3.588	50	20	DHGD	
CCc1sc(C(=O)NNc2ccc(F)c(F)c2F)cc1C	727759716	SKPGTOPTTDSRDN-UHFFFAOYSA-N	314.332	3.793	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(N2CCCCC2)cc1	728428808	JGRAJYDRJHJVFM-UHFFFAOYSA-N	301.434	3.563	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)C1CCCC1	733076928	YYJDDECBJHMWCB-OAHLLOKOSA-N	302.418	3.753	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCOCc2ccccc2)cc1	741126167	KPGWVHBHPDDWIQ-CPNJWEJPSA-N	321.376	3.662	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1cc(Cl)sc1Cl	744516022	GQSALPQGHLFFLF-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)cc2C1	749449461	OHQZUOSYOUJDOE-FXBPXSCXSA-N	323.327	3.657	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCOc2ccncc21	750138453	RJLLYRVEUOJLJR-LBPRGKRZSA-N	324.471	3.521	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	755715734	VORIGUWMGWALBN-JTQLQIEISA-N	308.813	3.512	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1ccc(F)cc1F	756013259	UVSAFOKUVZHLQP-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3n2)c(C)s1	760217605	HEZFYCPAAVINKP-UHFFFAOYSA-N	309.394	3.677	50	20	DHGD	
CC(C)C(=O)NN=Cc1ccc(OCc2cccc(F)c2)cc1	767107941	CKTHHRQFYWHRNF-UHFFFAOYSA-N	314.360	3.511	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)CC(C)(C)C1	768450301	PDCOWGPALLJFCD-WDEREUQCSA-N	304.272	3.691	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)C1(c2ccccc2)CCCC1	774372120	AJXGNCYLGVQOTB-UHFFFAOYSA-N	312.335	3.943	50	20	DHGD	
Cc1c(NC(=O)NNc2cccc(Cl)c2)cnn1CC(C)C	775695413	NETYJYXKUQATBB-UHFFFAOYSA-N	321.812	3.650	50	20	DHGD	
C[C@H]1CC[C@@H](C(=O)NNc2ccnc3cc(Cl)ccc23)C1	776456778	QYCQFIDKJUBPDG-WDEREUQCSA-N	303.793	3.768	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)CCc1ccc(OC)cc1	779771899	SCCOFZNHLVTHFE-HNNXBMFYSA-N	302.418	3.700	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H]1CCCOC1	779995577	WMNHIYDKWFZDCM-IHRRRGAJSA-N	317.520	3.632	50	20	DHGD	
O=C(NCC(F)(F)F)NN=C1CCC2(CCCCC2)CC1	786038448	BDWWVVKGHHIQPY-UHFFFAOYSA-N	305.344	3.728	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1cccc(C(F)F)c1	790936442	CQVMDRFFWDJOGN-UHFFFAOYSA-N	308.303	3.758	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	793710271	KHOVPAARKDIAOG-OLZOCXBDSA-N	305.378	3.563	50	20	DHGD	
CC(C)(C)[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	794349087	VRDBEBWTHPLBHT-RBFDBLARSA-N	312.413	3.584	50	20	DHGD	
Cc1ccnc(C)c1NC(=O)NNc1ccc(C(F)(F)F)cc1	806534997	KZZSIVHAOAZYBI-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ocnc1C1CC1	809730346	KNYFQKMVWYSJPW-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1F)c1ccc([N+](=O)[O-])cn1	812242734	UKOSHNXSCPBYTO-YHYXMXQVSA-N	303.680	3.846	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)c(F)c2)ccn1C(C)C	815857438	DCEQZPGWOWTWNO-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
Cc1cc(C)c(/C=C\C(=O)NNc2cccc(Cl)n2)cc1C	817008886	LTOKIOYPINFNDZ-FPLPWBNLSA-N	315.804	3.817	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	833107177	SFWKWTXRFQAQEI-ARKGTOAJSA-N	323.527	3.981	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(C)cc2Cl)CCC1	836937730	KKJCSHPXKZJSAI-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
Cc1cnc([C@@H](C)NC(=O)NNc2ccc(C(C)C)cc2)s1	838508751	SMCAYWUBSPFVEN-GFCCVEGCSA-N	318.446	3.962	50	20	DHGD	
C[C@@H]1C[C@H](NC(=O)CCCC[C@@H]2CCSS2)CS1	839825562	JXESARIAAVDZBJ-GRYCIOLGSA-N	305.534	3.711	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1Cc1cnsn1	847007099	CDVWTQMZSDOAIW-CYBMUJFWSA-N	313.543	3.524	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccnn2CC2CC2)c1C	849179889	SZXKTPMLISVPQQ-MHWRWJLKSA-N	305.381	3.700	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCc2cscn2)C1	852525320	XKFXYHSESCRXEZ-CQSZACIVSA-N	312.555	3.782	50	20	DHGD	
CCCc1ccc(CCCC(=O)NN[C@H](C)C(F)(F)F)cc1	862323604	URPFPLBOWSAQRY-GFCCVEGCSA-N	316.367	3.533	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)CCCc1cccnc1	885128687	ZYVPALVOVXBLSX-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N(Cc1ccoc1)C1CC1	889093533	SSHLQUXYQPDQGY-LBPRGKRZSA-N	314.223	3.580	50	20	DHGD	
C=C[C@](C)(CCOC)C(=O)NNc1cccc(Cl)c1Cl	1117862772	VWFWIRNHQPTTBO-CQSZACIVSA-N	317.216	3.665	50	20	DHGD	
CCN(C(=O)c1cccc(CCl)c1)[C@H]1CCOC(C)(C)C1	1262625862	WQAIRFUAKGCMDF-HNNXBMFYSA-N	309.837	3.845	50	20	DHGD	
Cc1ccc(-c2nnco2)cc1NC(=O)C1CCC(Cl)CC1	1345622723	MEEJRSOCYLZSRF-UHFFFAOYSA-N	319.792	3.781	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cccc(C(=O)O)c2)cc1	1591974491	ZFNKFUIRNIJWRK-UHFFFAOYSA-N	313.357	3.657	50	20	DHGD	
CCCC[C@@H](C(=O)O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	1605234801	VVCWQLXGNWJCKE-KBPBESRZSA-N	315.530	3.726	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CCCC[C@H]1c1ccccc1	7855146	AKBVINDNGONWHO-SFHVURJKSA-N	321.424	3.929	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)NC1CCCC1	14178522	HSZKFKXAQZSEHN-SAPNQHFASA-N	323.440	3.643	50	20	DHGD	
O=C(CSCc1cccc(Cl)c1)NNc1ccccc1	70716718	NWFHAXUXWFAHAV-UHFFFAOYSA-N	306.818	3.717	50	20	DHGD	
Cc1cc(NNC(=O)/C=C/c2ccco2)ccc1Br	120881541	NXMJDFTZUVCBGC-FNORWQNLSA-N	321.174	3.507	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1cccc2ccccc12	129907719	VQRMCEGDDGNOTL-MDWZMJQESA-N	305.362	3.842	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	153793929	LSDGPPNBCUUNDW-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	154749776	VZUCEWHNQACDQR-ZJUUUORDSA-N	304.287	3.638	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	160149799	XOHKMYZWUVSGFL-WDZFZDKYSA-N	320.179	3.878	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1c[nH]c2ccccc12	160816021	FFVDUPJLBVORJS-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@@]12CCc1ccccc12	175185554	GAADTUSOVRXLKB-FUHWJXTLSA-N	312.800	3.687	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CC[C@H]2CCCCO2)cc1	181143506	MXHABXDSMBJWIH-MRXNPFEDSA-N	304.434	3.777	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)c(C)c1	190213733	AFTDVFWACPTVCY-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
Cc1cccc(NNC(=O)CCC(=O)c2ccc(Cl)cc2)c1	192835824	YBGPERQXHFTCCX-UHFFFAOYSA-N	316.788	3.755	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NOCc1ccccc1	247802872	WXFOHWFKOAIIPG-CQSZACIVSA-N	311.472	3.949	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1c(F)cccc1F	255067839	OAKBLFQEVBTYRN-YFHOEESVSA-N	315.323	3.877	50	20	DHGD	
Cn1nccc1[C@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1	377587043	LOYHDFXYFXSHNC-HNNXBMFYSA-N	323.557	3.621	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1	491082377	IQRCXGLVXOWPKM-NOCRFKNCSA-N	310.397	3.574	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	728438369	VODVFNJJBMBNQB-RMKNXTFCSA-N	323.139	3.699	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)c1ccccc1C	735030049	AAHDLCMPCIGIQU-HNNXBMFYSA-N	304.434	3.753	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C2CCCc3ccccc32)cc1	741765182	RQWOEDWDOPPNAX-UHFFFAOYSA-N	322.412	3.615	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1csc(C2CC2)n1	747376347	WXJIUTXZSZPHEN-UHFFFAOYSA-N	318.354	3.765	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NNc1cccc(F)c1	748099130	WGULASLBHMAAPJ-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1cc(C)ccc1C	748413315	WIIHAFOVJGZHBV-GOSISDBHSA-N	312.413	3.913	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1ccc(F)c(F)c1F	750240789	ZYAQRPUYHYHANF-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCCOc3c(Cl)cccc32)o1	752175657	WIJFBVNTYIPOKB-UHFFFAOYSA-N	318.760	3.548	50	20	DHGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)Nc1ccc(C(=O)O)cc1	755572270	MEQGRKPAEXNVFR-XNTDXEJSSA-N	320.348	3.547	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC(C)(C)C[C@@H]2C)cc1	766015014	WERHCYZOXYBGPI-ZDUSSCGKSA-N	302.418	3.556	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2cccc(F)c2C1	767775873	SBHIMGSYRJRMKY-QGMBQPNBSA-N	323.327	3.657	50	20	DHGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1c(F)cccc1Cl	770198212	ZUAISOULORVRIF-LLVKDONJSA-N	322.767	3.528	50	20	DHGD	
CC(=NNC(=O)Cc1cccnc1)C1(c2ccccc2)CCCC1	774384307	BXBTUWIDFZROQD-UHFFFAOYSA-N	321.424	3.628	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCC1	775247899	HCYSITVTXRGSBH-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
C#CCC1(C(=O)NNc2cc(F)c(F)cc2F)CCCCC1	788514069	ZTVFKRBUFJQTKY-UHFFFAOYSA-N	310.319	3.521	50	20	DHGD	
Cc1nc(Cl)cc(NNC(=O)CC(C)(C)C2CCCCC2)n1	795128061	DUNZTFCYIKFAGR-UHFFFAOYSA-N	324.856	3.878	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cccc(Br)n2)n1	797404790	ITCOKZUYBSESCL-UITAMQMPSA-N	306.188	3.673	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C[C@@H](C)C(C)(C)C)cc1	800807850	IJHAZXVCEAGMIZ-ZIAGYGMSSA-N	320.433	3.637	50	20	DHGD	
COc1ccc2c(c1)OCCN(/C(=C\C#N)c1ccc(F)cc1)C2	801966902	QIQRVBOHWZLQIN-LSCVHKIXSA-N	324.355	3.593	50	20	DHGD	
Cc1ccc(CCC(=O)OC[C@H](C)CBr)s1	811255598	UOVJVITZDVPCKX-SECBINFHSA-N	305.237	3.563	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)c1cnc2ccccc2n1	812242864	XEQANABJMBEFLW-MDWZMJQESA-N	305.312	3.842	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1cccc(C2CCC2)c1	812993708	WYUOGEWKIJAEPN-UHFFFAOYSA-N	300.337	3.637	50	20	DHGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NCCCSC#N	816538211	JHJCKMALIRQLOC-SNVBAGLBSA-N	314.863	3.541	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3cccc(Cl)n3)[nH]c2c1	817008278	KWIVETXONVLQBU-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747857	XZTOGGFCWAMFBZ-NOZJJQNGSA-N	302.205	3.514	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCC[C@@H]1CC1(Cl)Cl	820571222	HHDFSJJAZHYRGR-YQCJOKCJSA-N	310.180	3.721	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)Nc1nc(C2CCC2)cs1	823224720	WYMXOKXPCZNGIS-UHFFFAOYSA-N	323.809	3.608	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C1CCC(F)(F)CC1	836933464	LCZPOVXIYOHVNJ-UHFFFAOYSA-N	302.752	3.917	50	20	DHGD	
CSSCCNC(=O)[C@@H]1C[C@H]1c1ccc(Cl)cc1	839760698	KBXFQJPMFZKXMD-NWDGAFQWSA-N	301.864	3.571	50	20	DHGD	
O=C(NN=C1CC[C@H](c2cccc(Cl)c2)C1)[C@@H]1CCCCO1	841640589	NYBBORPSOFQIMJ-BBRMVZONSA-N	320.820	3.649	50	20	DHGD	
C#CCCCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378434	HIJFJATZAAHBLG-UHFFFAOYSA-N	318.726	3.996	50	20	DHGD	
O=C(NN=C1CCC(=C2CCC2)CC1)c1cccc(Cl)n1	853410584	RUTHXCGLTGMAGY-UHFFFAOYSA-N	303.793	3.875	50	20	DHGD	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCCCSC#N	854362092	AEESZTTYFFOYDS-OAHLLOKOSA-N	320.458	3.688	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C	857653693	JIBFJLFQKXCJEL-LDADJPATSA-N	321.424	3.836	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2cccc(OC3CC3)c2F)c1	863156670	JBMCVPUAARWDHI-UHFFFAOYSA-N	318.373	3.501	50	20	DHGD	
Cc1cc2cc(NC(=O)[C@]3(C)C[C@@H]3Br)ccc2[nH]1	906069600	YCRRLZNUUPKIRN-GXTWGEPZSA-N	307.191	3.588	50	20	DHGD	
Cc1cc(NNC(=O)c2ccn(C3CCCC3)n2)ccc1Cl	928341141	PRHGGKAZFWBHMT-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)[C@@]12CCC[C@@H]1C2	1148423437	CDCHWBKTKFZKAS-OXQOHEQNSA-N	322.408	3.899	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2)cc1	1317910599	SCVNSSDDVFFBFN-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1	1319119670	WTQKOYNGRUEYLV-GZTJUZNOSA-N	319.360	3.880	50	20	DHGD	
COc1ccc2c(c1)CN(C(=O)CCl)[C@@H](C1CCCCC1)C2	1320465404	IEHBHWJADMATJC-QGZVFWFLSA-N	321.848	3.768	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=CCCc1ccc(F)cc1	1321285795	GUMWLECYPDFFFR-UHFFFAOYSA-N	318.779	3.756	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1cc2c(s1)CCC2	1321325284	KMDNEQFZEHBHGK-UHFFFAOYSA-N	316.401	3.724	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc(-n3ccc(C)n3)c2)c1	1322856643	IUVNZYINEGPWAI-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CN(C)c1ncccc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	1322875491	KNXUHFQMJDHDSV-XNTDXEJSSA-N	317.348	3.684	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(-c2cc3c(s2)CCCCC3)o1	1348870463	GDPHKKFEZUMZRG-ZRDIBKRKSA-N	315.398	3.968	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3cc(Cl)ccc3s2)CC1	1623234672	ZUEUKTOLBFWAIK-UHFFFAOYSA-N	302.786	3.851	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1	7165372	QTTNUMBEEDVNLP-LFIBNONCSA-N	300.402	3.543	50	20	DHGD	
CCCOc1cccc(/C=C(\C#N)c2nnc3n2CCCCC3)c1	53102723	JUOGECFXPXLBGO-FOWTUZBSSA-N	322.412	3.857	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2cc(F)c(F)cc2F)cc1	115720155	VPUHKHGAAQPIRD-SNVBAGLBSA-N	322.330	3.913	50	20	DHGD	
Cc1cc(NNC(=O)c2cc(C)c(C)o2)ccc1Br	126088131	GRSUKPVUKYATMH-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2ccc(C(F)(F)F)cn2)C[C@H](C)C1	131822919	VDJXWDHKVJHHNR-NXEZZACHSA-N	315.339	3.616	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1	133280365	SIVQKXONXPBXMX-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2cc(C)cc(C)c2)cc1	158669562	AHXAYDOEFQXGJQ-OAHLLOKOSA-N	312.413	3.949	50	20	DHGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)OC(C)C)cc1Cl	179059843	SJTICVFHKKZXKF-ONNFQVAWSA-N	314.168	3.861	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csnn2)cc1	193340281	CZWBVPCHDYAAIL-LFTLCWSBSA-N	312.398	3.597	50	20	DHGD	
Cc1ccsc1/C=C(/C#N)C(=O)c1cccc2c1OCCO2	255339098	CIQAELOUEKGBSG-XFXZXTDPSA-N	311.362	3.618	50	20	DHGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)NC1CCCC1	263931135	ARPZQVCKNDNQSO-UVTDQMKNSA-N	323.421	3.776	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cc(Cl)ccn2)s1	272552422	WQCZDYJPKZXXJR-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
CC1(C(=O)NNc2ccccc2OC(F)(F)F)CCCC1	275162724	YUQLVPJZXAWOEH-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1cc(Cl)cc(Cl)c1	276888043	QHCXELDYGXXRJZ-UHFFFAOYSA-N	317.216	3.832	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1CCC[C@@H](OC)C1	281810491	QDIMRPWYVFOFHF-GDBMZVCRSA-N	304.434	3.596	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2occc21	490845955	UJWOCOHLCOLQDT-IVOILVROSA-N	310.328	3.519	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c[nH]c(C(F)(F)F)c2)c1	491008033	HHKIQURTUHEFKU-SDQBBNPISA-N	319.286	3.888	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C)on2)c1C	726595109	UTWNZFUEGIVECY-RCEBRVLHSA-N	311.385	3.913	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cc(OC)cc(OC)c1	727254781	YODMORZRWXDJIY-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
Cc1ccc(CCNC(=O)NNc2ccccc2Cl)cc1	734947719	YQZUMBXMKCEVOB-UHFFFAOYSA-N	303.793	3.517	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c1OC	735620045	TWUDSVOWFHDTTJ-UVTDQMKNSA-N	319.364	3.953	50	20	DHGD	
CC(C)C(=O)NN=Cc1cc(Cl)ccc1OC1CCCC1	743427226	LMQHSDXQCAQJIW-UHFFFAOYSA-N	308.809	3.768	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(N)=O)c(C)n1-c1ccc(C(C)C)cc1	747437750	WZEINJMYGFRHQM-YVLHZVERSA-N	307.397	3.610	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc3ccccc3n2)cc1	749812063	JUDJIDKACZPUTG-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
CCCCCCCCCC=NNC(=O)c1sc(N)nc1C	755630918	GZJIRVJCNJOOAE-UHFFFAOYSA-N	310.467	3.890	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2ccc(F)c(F)c2F)C1	756013567	YETVITGUJATINM-VIFPVBQESA-N	300.324	3.763	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncn1	758914887	WRBVDPYBEJZBAJ-LCYFTJDESA-N	318.292	3.709	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)CC(CC)CC	759487627	QULZVAIYHQOJLG-UHFFFAOYSA-N	321.490	3.701	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=O)c1cccc2ccccc12)C(C)C	763583173	RJLPRVCKHKWGFX-OAHLLOKOSA-N	312.413	3.673	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)c1cccc(N(C)C)c1	764894449	LAUVXMVUQVFXJI-UHFFFAOYSA-N	315.442	3.553	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@H](C)C#N)c1C	770930113	OLBPZHDOIGQVGF-ZLYHGVDXSA-N	313.401	3.515	50	20	DHGD	
CC[C@H](C)[C@H](NC(=O)NNc1c(C)cccc1F)C(F)(F)F	772533113	SGZJPYREWPWWEU-UFBFGSQYSA-N	321.318	3.737	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccc(C(=O)O)cc2)ccc1[N+](=O)[O-]	774557053	AIEVMBVLWGDCRO-DHDCSXOGSA-N	308.293	3.666	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)Cc1ccccc1F	780638455	FEPBNQZJMCSAMP-GOSISDBHSA-N	322.424	3.512	50	20	DHGD	
COCc1cccc(NC(=O)[C@H](Br)C(C)(C)C)c1	781073764	ONGZTSOMBIJEGE-LBPRGKRZSA-N	314.223	3.581	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N(C1CCCC1)C1CC1	781085159	XGGWYUCODYGMGT-LBPRGKRZSA-N	302.256	3.730	50	20	DHGD	
O=C(NN=C[C@H]1CCSC1)c1cc2c(s1)CCCCCC2	782167327	RYXUWUKRLVJJTH-GFCCVEGCSA-N	322.499	3.876	50	20	DHGD	
Cc1ccc(N2CCN(/C(=C/C#N)c3ccc(F)cc3)CC2)cc1	784387174	AIQOSVGTPZNNCU-KEBDBYFISA-N	321.399	3.821	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\C1CC1)c1ccccc1Br	786680143	VNENXDWQIQRORR-UVIKPUKZSA-N	320.186	3.913	50	20	DHGD	
C[C@@]1(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)CCCS1	792904102	CMSYMOZSKFMEKY-AIWVUANBSA-N	306.475	3.591	50	20	DHGD	
COC(=O)N(C)N=C(Cc1ccccc1)c1sccc1C	794956521	YKDDKDAIOLDZRG-UHFFFAOYSA-N	302.399	3.702	50	20	DHGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NN(c2ccccc2)c2ccccc2)O1	799854634	QXZCXPJGJPRBHI-IIDMSEBBSA-N	310.397	3.669	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1cc(C(F)(F)F)ccc1F	800523926	ZDNJESAMNIQDJZ-UHFFFAOYSA-N	324.343	3.677	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@@H]2CCCF)cc1	800811479	WEZJENBLHOXMBL-OAHLLOKOSA-N	320.408	3.650	50	20	DHGD	
CSSCCNc1ccc([N+](=O)[O-])c(OC(F)F)c1	804700333	XVXRFGPSYLJTMO-UHFFFAOYSA-N	310.347	3.619	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1	809145896	IXXWUDACWQCBNJ-WQRHYEAKSA-N	319.360	3.880	50	20	DHGD	
COc1ccc2c(c1)C1(CC1)CN(C[C@@H](C)CBr)C2	810098616	WCFFYCLYXPKMFB-LBPRGKRZSA-N	324.262	3.573	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3cccc(F)c3F)c2c1	815857023	LWUJLUYEQJNJOK-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1cccc(Cl)n1	817009725	XELBDXAYFXGWFT-CQSZACIVSA-N	317.820	3.693	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C\c2ccc(Cl)cc2)cc1	817911950	WVXOHSSMJLDKRG-XGICHPGQSA-N	316.788	3.895	50	20	DHGD	
CCn1ncc(C)c1NC(=O)NNc1c(C)cccc1C(C)C	825142823	CUHGVMXBTROHEQ-UHFFFAOYSA-N	315.421	3.792	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(N3CCCCCC3)cc2)n1	827031929	YRZKFENVPMVTPT-UHFFFAOYSA-N	324.428	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(CN3CCCCC3)c2)cc1	839498860	SQVDHNZPACCKFB-UHFFFAOYSA-N	323.440	3.738	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C)n2)cc1	840714934	KJOLSBMWGRQOAK-XDUBLRSXSA-N	322.412	3.788	50	20	DHGD	
COCCCCN(C)C(=O)CCCC[C@@H]1CCSS1	841468006	LTPTWPUSUHUQKF-CYBMUJFWSA-N	305.509	3.586	50	20	DHGD	
N#C/C(=C\c1cnn(CCCl)c1)c1nc(C2CC2)cs1	843274615	ZDGZJDBHCXDBGO-LFYBBSHMSA-N	304.806	3.520	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	843855377	ZDRSVIMJSYPEMU-GFCCVEGCSA-N	303.793	3.791	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2ccccc2)C1)OCC(F)(F)F	853428704	ROKAOGJRNPWYKU-LLVKDONJSA-N	300.280	3.599	50	20	DHGD	
CCCc1nc(C)c(NC(=O)[C@@]2(C)C[C@@H]2Br)s1	907509820	AMNOATVXPICSTR-UFBFGSQYSA-N	317.252	3.516	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1ccc(F)c(Cl)c1	917548977	PYCJNFGSQGKWJE-UHFFFAOYSA-N	320.751	3.647	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1C[C@@H]2C[C@]2(c2ccccc2)C1	1120692779	JTWZSYVHFQMKLU-PKOBYXMFSA-N	311.812	3.839	50	20	DHGD	
CC(C)(NC(=O)C1CCC(Cl)CC1)c1ccc([N+](=O)[O-])cc1	1263765478	QYLXGXZMYBZSRS-UHFFFAOYSA-N	324.808	3.744	50	20	DHGD	
CCCC(CCC)C(=O)NNc1cncc(Br)c1	1323067397	QFIFPAAOJZUWIP-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
Cc1cccc(-n2nc(C(C)(C)C)cc2NC(=O)CCl)c1	1336909942	IMYLDIUWTRWXJG-UHFFFAOYSA-N	305.809	3.656	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)c1ccccc1Cl	1341759367	HAGBADFDLOYELD-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2oc(C3CC3)nc2C(F)F)c1	1348140116	LYGUVZCXIKPYFM-UHFFFAOYSA-N	321.327	3.863	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1	6517037	PQPWBPZDNKBQNM-UHFFFAOYSA-N	323.462	3.755	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)Nc1cccc(Cl)c1	31091302	RVWSIPDBFPNJHT-UHFFFAOYSA-N	318.764	3.507	50	20	DHGD	
Cc1noc(C)c1CNC(=O)CCCC[C@H]1CCSS1	62522064	BRXIFKUGUGJPOA-LBPRGKRZSA-N	314.476	3.622	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2c(F)cccc2F)cc1	118510308	ZCFGHEXPTXKACJ-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1cc(Cl)cc(Cl)c1	129916349	UHOMHIKYLVVWRQ-UNXLUWIOSA-N	324.192	3.996	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccc(F)cc1F	158145928	MLTWQKMCJZYLRK-GHMZBOCLSA-N	308.353	3.582	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1C[C@@H]1c1cccc(F)c1F	159741393	JDGYERQZLDQBPL-CHWSQXEVSA-N	322.742	3.865	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	179178260	CPXPPLJRTDABPJ-QDEBKDIKSA-N	320.179	3.825	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC(F)(F)C(F)F	191385841	ZBBWHDWKHJZSGN-QMMMGPOBSA-N	319.389	3.717	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cccc(O)c1	194469285	YWZAZSSZLRTIEX-CQSZACIVSA-N	311.472	3.723	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NNc1cc(F)c(F)c(F)c1	194795093	KNMSTSSLYOYWSM-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
N#C/C(=C\c1cc(C#N)cs1)C(=O)Nc1ccc(Cl)cc1	255294169	IAKMNBUXZXYPEP-IZZDOVSWSA-N	313.769	3.819	50	20	DHGD	
C[C@H](CC(=O)N1CC=C(C#N)CC1)Cc1ccc(Cl)cc1	272634456	CBJWCPNKRZOPLP-ZDUSSCGKSA-N	302.805	3.591	50	20	DHGD	
CC[C@@H](C)c1ccccc1NC(=O)[C@H](C)N1CC=C(C#N)CC1	272654011	NLZAACDWUGYCRS-CABCVRRESA-N	311.429	3.683	50	20	DHGD	
Cc1cccc(F)c1NC(=O)[C@H](Br)C(C)(C)C	274369954	CZCJYXMLNKSRCD-NSHDSACASA-N	302.187	3.882	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCC#N)c(OC)c1	281161424	PFBAWLPQQXJMQL-UVTDQMKNSA-N	312.369	3.510	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C(C)(C)C#N)cc2)c1	281242801	PPJJCCQMZGILCR-UHFFFAOYSA-N	307.397	3.862	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3c2OCCO3)cc1	588467365	ACWCYYHCZLQZKH-WJDWOHSUSA-N	305.333	3.556	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	727976391	RSALHESMIXVJJV-RJIXSYNGSA-N	322.330	3.706	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)c1cccc(OC(F)F)c1	729639191	ZMVXKIGHJIJWOE-UHFFFAOYSA-N	324.352	3.698	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2ncccc2Cl)cc1	734247297	CAEUMHFLRBTJMF-UHFFFAOYSA-N	317.820	3.900	50	20	DHGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)c1ccsc1	737445438	ZROVQAPXMOVPDV-VZUCSPMQSA-N	313.769	3.839	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(Cl)cc1)c1ccc[nH]1	741462463	PVMLMWNOPCOCDC-ZDUSSCGKSA-N	301.777	3.722	50	20	DHGD	
CC(C)(C)OC(=O)NN=C1COc2cc(Cl)cc(Cl)c21	743420671	MQIVMEGPDFCCJA-UHFFFAOYSA-N	317.172	3.615	50	20	DHGD	
O=C(NN=C1CCc2cc(Cl)ccc21)c1ccccc1F	743423254	MJEOWDUFQATSTM-UHFFFAOYSA-N	302.736	3.559	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3ccccc3)[nH]n2)c(C)c1	743763903	XOUWVOHUHPCZFC-UHFFFAOYSA-N	320.396	3.759	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2C[C@@]2(C)c2ccccc2)c(C)c1	745857380	KBRUHVLMFJHTEQ-XLIONFOSSA-N	323.440	3.968	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1cc(F)c(F)c(F)c1	746704120	ULHKOKKBVUKQNJ-UWVGGRQHSA-N	300.324	3.763	50	20	DHGD	
O=C(NNc1ccccc1Br)C1CCCCCC1	748065501	DBCPGKXNKJNYPC-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	748246048	IGLIRQUDDXGPFC-LLVKDONJSA-N	303.362	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)CCCOc2ccc(C)cc2C)cc1	749201193	YHQCZHSUHKJFIB-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1ccc(Cl)cc1	749273167	DLQPZJJTHUZVKF-HNNXBMFYSA-N	303.793	3.674	50	20	DHGD	
C[C@H]1CCc2c(F)cccc2[C@H]1NC(=O)NNc1ccccc1	751102387	JWBQWGORBBOEEV-SJCJKPOMSA-N	313.376	3.775	50	20	DHGD	
CC(C)C[C@@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	752020860	WADIJNZIQHRPHZ-CYBMUJFWSA-N	317.882	3.571	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1=C(C)CCC1	753177280	KZFNKGXONCRTEM-UHFFFAOYSA-N	323.234	3.955	50	20	DHGD	
CC[C@@H](C)Oc1cc(/C=C(/C#N)c2ccncn2)ccc1OC	758910193	FAKIYIQBAHFNNW-MLJKTZRHSA-N	309.369	3.727	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)CC1(C)CC1	760504564	JODYYUJWJXQHPK-UHFFFAOYSA-N	311.223	3.645	50	20	DHGD	
C[C@@H](CBr)COC(=O)/C=C/c1ccc2[nH]ccc2c1	770408300	VAGJGBAOIVUSSO-TZNOJPMFSA-N	322.202	3.755	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H]2CC23CCCCC3)cc1	771282220	JUROCXWDKIJYKW-XOQYZJNISA-N	324.424	3.831	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2COc3cc(C)c(C)cc32)c(C)c1	771421307	BIIFYHUQUFMGHA-KRWDZBQOSA-N	324.424	3.848	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ncccc2C(F)(F)F)cc1	775373373	IAJUXEROWRTPMS-UHFFFAOYSA-N	324.306	3.811	50	20	DHGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C2	776625491	PPMLPRDNZCZRLQ-JDPQJOHGSA-N	324.424	3.630	50	20	DHGD	
Cc1cc(Br)cc(NC(=O)NNc2ccccc2)c1	776989242	NBGXDUDJPILIJR-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc3ccccc3n2)cn1	777462225	HARHJDNAIHRHBN-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
O=C(NN=C1CCc2cc(O)ccc21)c1cccc2ccccc12	780226696	BOATZWWZBCXCQT-UHFFFAOYSA-N	316.360	3.626	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccc(O)cc2)cc1	780818467	SBCTVGHQQXBJJI-UHFFFAOYSA-N	313.401	3.516	50	20	DHGD	
Cc1ccc(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)c(C)c1	785352488	WQCLBAWXKWZEMW-GZTJUZNOSA-N	319.360	3.637	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@]2(C)[C@@H](C1)C2(Cl)Cl	792908229	LOPLXXSJRYSASZ-BBBLOLIVSA-N	315.082	3.533	50	20	DHGD	
COc1ccccc1-n1nccc1/C=C(\C#N)C(=O)CC(C)(C)C	797397456	CXHRLTJFBSKQRR-SDNWHVSQSA-N	323.396	3.793	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)Cc1ccccn1	798186642	RJGZJEACLLYEMC-UHFFFAOYSA-N	304.821	3.721	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1COc2cc(C)c(C)cc21	799756627	GAELOHGZPIODCK-KRWDZBQOSA-N	324.424	3.794	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc(OC(F)F)c1	799757259	OHMMADLBCHOKMV-UHFFFAOYSA-N	320.339	3.916	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCC(=O)c1ccccc1	799759616	UGAUFKSALDFCDG-UHFFFAOYSA-N	310.397	3.664	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1c(C)cccc1F	801952332	SWVJSWCWTCODRS-JKSUJKDBSA-N	312.388	3.943	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(CCCl)c2)cc1C	809160770	ZGHKLADGZUGSJG-PXNMLYILSA-N	313.788	3.529	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)C[C@H]1CCCOC1	811462345	WXORXLBWBGDJPE-MRXNPFEDSA-N	311.853	3.553	50	20	DHGD	
O[C@@H](CNCc1ccc(OCCCCl)cc1)c1ccccc1	811472111	WEFPIHVZZFEUJZ-SFHVURJKSA-N	319.832	3.518	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(C)nc1C	814862688	PXEIVTYYSQEWJH-UHFFFAOYSA-N	319.767	3.645	50	20	DHGD	
CCOCCC=NNC(=O)Nc1ccc(Cl)cc1Cl	814995859	HQHYFEFJZVCUJE-UHFFFAOYSA-N	304.177	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)NCc2cc(C(C)C)no2)c(Cl)c1	838474659	RJNBOWLOGWIPFU-UHFFFAOYSA-N	322.796	3.586	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)C(C)C)ccc1OC(=O)CC	840717612	HJEASULHOXZHMA-ZROIWOOFSA-N	315.369	3.533	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ccc(F)cc2OC)cc1	846642374	CZRARYMHBYOSDJ-LBPRGKRZSA-N	316.376	3.644	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C1(Cc2ccccc2F)CC1	855369451	MVHLPJWVMKVQRW-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
C[C@]1(CNCc2ccc3ccccc3c2O)C[C@H]1Br	857063597	NUKIIHSWDPDBBG-GDBMZVCRSA-N	320.230	3.809	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1F)[C@H]1CCCC(F)(F)C1	871271454	PGGHFVPFJQWVSM-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
CC(=O)N(c1ccc(NC[C@@H]2[C@H](C)[C@@H]2Cl)cc1)[C@@H]1C[C@@H]1C	894645582	NZWXLKPUOUQFSE-UIOLVJJGSA-N	306.837	3.733	50	20	DHGD	
C[C@@]1(C(=O)N2CCC(c3ccccc3)CC2)C[C@H]1Br	905778836	TZRPUEQKCNXKRU-GDBMZVCRSA-N	322.246	3.566	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@@]2(C)C[C@@H]2Br)CC12CCCC2	909439331	VQNOTUOEVGJIID-OBJOEFQTSA-N	314.267	3.587	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cc(C)ccc1C	915973101	DUJSUGPYEBDMPJ-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C[C@H]3CC=CCC3)cc2C1	916353606	QZGKMBGIGHZMMQ-OLZOCXBDSA-N	302.443	3.945	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cc(Cl)ccc1O	916661931	GZNDPCSAAZIGEQ-UHFFFAOYSA-N	303.749	3.510	50	20	DHGD	
CC[C@@H](NC(=O)NNc1cc(Cl)ccc1C)c1ccncc1	920178294	MUPCMNIMDXYLBG-CQSZACIVSA-N	318.808	3.821	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)c1ccccc1Cl	1339480036	QJLBVKPQWPOKEW-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)Nc1cccc([N+](=O)[O-])c1	83055969	UKWKVOSFKCKNRM-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(Cl)c1)c1ccc(F)cc1	103067265	OVKMPZRDCGJLJQ-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)c1	104115434	PKLTVZZVKTVLPK-HZPDHXFCSA-N	300.789	3.895	50	20	DHGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC=C(C#N)C#N	105386097	WADTZZTZVGYVHO-JTQLQIEISA-N	312.373	3.839	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)c3nc4ccccc4n3C)n2c1	151385012	AYBPQHWMRXMCHD-ZROIWOOFSA-N	313.364	3.594	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	158513190	UGMMNJQFQPELEP-YPKPFQOOSA-N	308.337	3.861	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(F)cc3F)cc2c1C	173144052	UWXRROHBVMOCCR-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)c2nc(C)cs2)cc1	255229707	UTDDTAQAGNBVLT-QPEQYQDCSA-N	322.393	3.914	50	20	DHGD	
Cc1ncsc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	255273774	NMFYHIMWQLOLPQ-WMZJFQQLSA-N	311.341	3.862	50	20	DHGD	
O=C(/C=C\c1cccs1)NNc1cccc(Br)c1	255772540	LSPZEGWPCOYIQZ-SREVYHEPSA-N	323.215	3.667	50	20	DHGD	
O=C(NNc1ccc2c(O)nccc2c1)C1CCCCCCC1	285823224	WJGPJNWGQKABSW-UHFFFAOYSA-N	313.401	3.744	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1cccc(NC(C)=O)c1)C(C)C	294020020	VPLPGZYZIXAAOR-KRWDZBQOSA-N	319.449	3.941	50	20	DHGD	
CCOC(=O)NNC(=O)Nc1ccccc1SC1CCCC1	494552788	AWCXPBKNHMWREN-UHFFFAOYSA-N	323.418	3.504	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	726430196	PZPZYYLEAYCYHG-VKRGWIQLSA-N	308.175	3.677	50	20	DHGD	
CCc1ccc(/C=C(\C#N)S(=O)(=O)c2ccc(C)cc2)s1	731156427	FAJSRSLRLQNIGR-MHWRWJLKSA-N	317.435	3.957	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(OC)c(C)c1)c1ccccc1	731930561	CLAGIAQXAZQNRP-KRWDZBQOSA-N	310.397	3.648	50	20	DHGD	
CCCN(CCC)CCCC(=O)NNc1c(C)cc(C)cc1C	743762623	DWUYMMJLYBUEOK-UHFFFAOYSA-N	319.493	3.957	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1cccc2c1CCCC2	748573572	COLDKGODKOBXES-KDOFPFPSSA-N	316.445	3.604	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2ccncc2)C[C@H](c2ccccc2)C1	749853275	ICVGAMSZXKLHJC-WMLDXEAASA-N	307.397	3.771	50	20	DHGD	
CC(C)[C@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CCS1	750055459	WRNFSTZYBCGVPA-OBHDYHNASA-N	317.414	3.533	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2ccc(OC)c(OC)c2)CC1	751516369	OCUKOARJRCAERF-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC[C@@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	751956252	QBUYUXGCQFAUCX-WPNIOXTASA-N	322.383	3.870	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1cccnc1Cl	754471997	YEVACCFBTWWZBQ-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
CCOc1c(Cl)cc(/C=C(/C#N)c2ccncn2)cc1OC	758914647	HUSHLWPBUUQWEV-SDQBBNPISA-N	315.760	3.601	50	20	DHGD	
CCOc1ccccc1Nc1nnc(SC/C=C/C#N)s1	763299445	VSWBPXZUBLSXOG-AATRIKPKSA-N	318.427	3.852	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)c2ccccc2F)c2ccccc21	769725773	MWIIRXQKLILUBO-QBFSEMIESA-N	319.339	3.985	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1c(F)cccc1Cl	771672837	QSAPNCQSZUONPF-AWEZNQCLSA-N	321.783	3.813	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2nccnc2C(C)C)cc1	772876364	SNRPJGRZJFVKHY-UHFFFAOYSA-N	312.417	3.700	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1ccc(F)cc1	775649002	INECJNWNHHZIEA-CQSZACIVSA-N	300.377	3.928	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)c1nc(C)c(C)s1	776189509	HOKMWJMJTSGNST-XYOKQWHBSA-N	300.383	3.841	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(Cl)c(F)c2)cc1C	778392309	KFDFLCQJYUZGNL-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2COc3ccccc3C2)cc1	780809641	WZHWPLQLZWPSOH-OAHLLOKOSA-N	324.424	3.679	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CCCSC(C)(C)C	788193933	ZROJDSUPFQCOJL-UHFFFAOYSA-N	314.426	3.589	50	20	DHGD	
COc1cc(NNC(=O)NCC2(C)CCCC2)ccc1Cl	788990876	VCOMHWNYQYVNCW-UHFFFAOYSA-N	311.813	3.555	50	20	DHGD	
C[C@@]1(C=NNC(=O)Cc2ccc3ccccc3c2)CCCS1	792976527	DBXOZEPTNXUANX-SFHVURJKSA-N	312.438	3.770	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccoc1C	794873973	VTQFDBFQRSUHKH-PTNGSMBKSA-N	317.348	3.872	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1c(C)cc(C)cc1O	799866263	AAWMFGIZIICSEE-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
O=C(CC1CCCCCC1)NNC(=O)Nc1ccc(Cl)cc1	802023918	ZOFOPUKFTQTCRE-UHFFFAOYSA-N	323.824	3.853	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ncccc2F)c2ccccc2n1	804213345	AFLMXLOUKFYOLS-UHFFFAOYSA-N	324.359	3.649	50	20	DHGD	
C=CCC[C@H](NC(=O)NNc1cccc(F)n1)c1ccccc1	805223885	NXUQFCYFWYIEEY-AWEZNQCLSA-N	314.364	3.554	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@@H]2CCCC[C@H]21	807033418	OSXVTQUDNVCSNL-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
N#CCCCCCC(=O)NNc1ccccc1OC(F)(F)F	807287056	DMYCFHOGSGSRRB-UHFFFAOYSA-N	315.295	3.502	50	20	DHGD	
CC[C@H](O)[C@@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808727229	DKHYGJRMXIAWGF-GJZGRUSLSA-N	301.547	3.634	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C2=CCCC2)cc1	809981986	DBKIMIDGQOHPJO-UHFFFAOYSA-N	320.392	3.637	50	20	DHGD	
CCN(CC)[C@H]1CCN(Cc2ccc(OCCCCl)cc2)C1	811453854	DCXUQWCFSOCFDA-KRWDZBQOSA-N	324.896	3.610	50	20	DHGD	
CCc1cc(CNCc2ccc(OCCCCl)cc2)on1	811471115	DQAQUJDWBTZJIK-UHFFFAOYSA-N	308.809	3.535	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2ccc(CC)cc2)cc1	817921379	UREDWCJBDZOEPW-UHFFFAOYSA-N	312.413	3.724	50	20	DHGD	
CN(NC(=O)CSc1cccc2cccc(Cl)c12)C1CC1	819643239	VSRYKCUPRNRYPL-UHFFFAOYSA-N	320.845	3.711	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ncc(C(C)C)s2)cc1F	822953855	PJJRILAIROTFNH-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccccc3cc2O)c1	832311404	GFNJGYJUUOLKQE-UHFFFAOYSA-N	306.365	3.919	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1Cc1ccc(Cl)cc1)c1ccc[nH]1	834934977	WVTDWFBKRPPBGN-CYBMUJFWSA-N	315.804	3.797	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)c2cccc(C3CC3)c2)nc1	836502881	IJKJIUJSFIZKBY-CYBMUJFWSA-N	310.401	3.655	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1Cc1cnsn1	847007100	CDVWTQMZSDOAIW-ZDUSSCGKSA-N	313.543	3.524	50	20	DHGD	
C=CCCCC(=O)NNc1ccc(OC)cc1C(F)(F)F	857265663	WXFVDZASJACCCD-UHFFFAOYSA-N	302.296	3.513	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2cccc(F)c2Cl)CCO1	862507093	UZOOJSWDEMLSEL-QWRGUYRKSA-N	314.788	3.518	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(C#N)ccc1Br	899336016	OPGBFZSIOGKZLS-KPKJPENVSA-N	317.186	3.843	50	20	DHGD	
CCCc1nc(C)c(NC(=O)[C@]2(C)C[C@@H]2Br)s1	907509819	AMNOATVXPICSTR-QPUJVOFHSA-N	317.252	3.516	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(SC(F)(F)F)cc1	915966884	XJCKIAIHJROENU-UHFFFAOYSA-N	304.337	3.795	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(Cl)cc2C)CCO1	928337165	LYERMYYROAODDE-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3ccccc3C)cn2c1	1117070194	DLEDJZIDALVGDI-OQLLNIDSSA-N	301.349	3.741	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCC[C@H]([C@@H]2CCOC2)C1	1336113718	HIYYYGNHFLPJDX-DLBZAZTESA-N	321.848	3.704	50	20	DHGD	
COc1ccc(F)cc1[C@@H](C)NC(=O)C1CCC(Cl)CC1	1348539356	BTOMWDMYQUCMQU-VOMCLLRMSA-N	313.800	3.809	50	20	DHGD	
C[C@H](CN(C)C(=O)C1CCC(Cl)CC1)c1nccs1	1349424559	VIDXXZGHXDYFOR-VOMCLLRMSA-N	300.855	3.503	50	20	DHGD	
CC(C)(C)OC(=O)Nc1ccccc1NC(=O)[C@H](F)Cl	2088605174	NCSUWFZKGHLMHJ-JTQLQIEISA-N	302.733	3.507	50	20	DHGD	
COc1cc(C=C(C#N)C#N)cc(OC)c1OCc1ccccc1	8270136	MSEROVXKBBZHAN-UHFFFAOYSA-N	320.348	3.713	50	20	DHGD	
CN(C)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1	45481035	OTDDPWHIGCLSII-UHFFFAOYSA-N	323.318	3.528	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1	150829969	SEYSPJAVJSVMEM-MNOVXSKESA-N	320.314	3.659	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1nc(C(F)(F)F)cs1	152804805	LOGMDRMJAZGORX-MRVPVSSYSA-N	321.368	3.821	50	20	DHGD	
O=C(CCC(=O)c1ccc(Cl)cc1)NNc1ccccc1F	152872404	FKCPWBYPXOQYOI-UHFFFAOYSA-N	320.751	3.585	50	20	DHGD	
C[C@H]1CCC[C@](CI)(OC2CCC2)C1	158368869	NSXKUBKCKXEICN-JQWIXIFHSA-N	308.203	3.939	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	158839919	ZLRISAHSKPZEJB-POHAHGRESA-N	320.179	3.825	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)c1	159311299	WVDIEKVBRGLOER-KBPBESRZSA-N	316.351	3.828	50	20	DHGD	
CC(C)(CCC(=O)NNc1ccc(C#N)cc1)c1ccccc1	161097548	MHQBDGJEWHCAER-UHFFFAOYSA-N	307.397	3.759	50	20	DHGD	
CC(C)n1cccc1C(=O)NNc1ccccc1Br	163724056	CADLQBNYSBONNY-UHFFFAOYSA-N	322.206	3.588	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	171417897	OKFHKGUDWWCKGF-NTEUORMPSA-N	311.772	3.898	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C#N)c(C)c1	179320094	XOTAFDVRWVWMLB-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccn2)c(C)n1C1CCCCC1	181208881	PLUNHUHOQDPHER-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2c1O)c1ccccc1Cl	252597692	CTPATXUIFFZZEL-UHFFFAOYSA-N	324.767	3.963	50	20	DHGD	
O=C(CNc1ccccc1)NN=Cc1ccc(Cl)c(Cl)c1	254555393	NNOSYICWQJFDLB-UHFFFAOYSA-N	322.195	3.556	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	254993813	PTKMRYRVKMCHBF-POHAHGRESA-N	316.710	3.792	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(Br)ccc1Cl	255064543	WABMSWKWXXQGPN-UITAMQMPSA-N	314.566	3.573	50	20	DHGD	
O=C(OCc1ccccc1)N1CCCC[C@H]1CBr	255189351	PFVIAYOETZFRDX-ZDUSSCGKSA-N	312.207	3.573	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1[N+](=O)[O-]	255574674	PVUXRLAHAIEDGU-ZROIWOOFSA-N	318.336	3.854	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)c(F)c2)C1	280113765	AXBRIOYUQJFYKB-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCCC(F)(F)C1	281925453	AWAQQGBWPMBDBF-JGWKKKPCSA-N	322.330	3.674	50	20	DHGD	
N#Cc1ccc(NNC(=O)CC2CC(c3ccccc3)C2)cc1	282549640	AMZLJGXYQRTSOY-UHFFFAOYSA-N	305.381	3.585	50	20	DHGD	
CCCOc1ccc(C(=O)NNc2cccc(C)c2)c(OC)c1	296962121	UKNZOFSCOXRKED-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccn1CC)c1ccccc1	490975001	OJETUZLOCYZTJV-IYICPGQYSA-N	307.397	3.682	50	20	DHGD	
COC(=O)N(C)N=Cc1c[nH]c2cc(Cl)cc(Cl)c12	496085614	SLCLYLXPHVIGBB-UHFFFAOYSA-N	300.145	3.507	50	20	DHGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	727251705	DPQUTKOCDMDFRL-ZDUSSCGKSA-N	317.389	3.917	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(Cl)c(Cl)c1O	728428624	DLQXRZFERWRJGB-UHFFFAOYSA-N	317.216	3.975	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(F)c(C)c1	729144251	WYOQFFHTCWPIMZ-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
CCCCCCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732977301	DDAHEVPTVWKEJY-UHFFFAOYSA-N	322.796	3.804	50	20	DHGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)[C@H](C)C1	734671402	QZTIKXWOPCBKEV-JRKPZEMJSA-N	315.339	3.555	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2ccc3c(c2)CCC3)c(C)c1	743763017	RSXZEPJDIVHWSJ-UHFFFAOYSA-N	308.425	3.786	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@H](C)CC(C)(C)C)o1	746525210	FYOLJUKREOHNSU-NSHDSACASA-N	306.410	3.575	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1ccc(Cl)cc1	749274519	SROKUAVJWZZTDC-HNNXBMFYSA-N	310.825	3.911	50	20	DHGD	
CCOc1cccc(C=NNC(=O)c2cc3ccccc3o2)c1	749818379	VRSBDBXTDTUZHZ-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
N#Cc1ccccc1C=NNC(=O)c1c(Cl)cccc1Cl	755697482	JLHGMUPWPVKDGZ-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccc(OC(F)F)cc1	762003047	NRGHPPVHTUUQDR-SNVBAGLBSA-N	300.349	3.803	50	20	DHGD	
CCc1cccc(C(=O)NNc2nc3ccccc3cc2C)c1O	777478417	YHRDLTORHHZMET-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccc2c(c1)OCCO2	779768950	PFKAWWQSPFCMEU-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2ccc(OC)nc2)cc1	780146499	FPSJAVVBAIPTCZ-GZTJUZNOSA-N	306.365	3.833	50	20	DHGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)CNc2ccccc2)C1	780194487	KDRXQSKLSAGUOC-HXUWFJFHSA-N	321.424	3.713	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1OC	781100562	NFVAFDGVWXSDNH-PDGQHHTCSA-N	319.360	3.998	50	20	DHGD	
Cc1nc(NC(=O)NNc2cc(Cl)cc(Cl)c2)oc1C	790604183	NFXKCMWJKFWDQJ-UHFFFAOYSA-N	315.160	3.747	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(C2CC2)cnc1Cl	792943847	YBVNARXALJSSBK-UHFFFAOYSA-N	305.740	3.508	50	20	DHGD	
CC[C@H](C)CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	794794620	JRSMNLNYWNJVMA-VIFPVBQESA-N	317.216	3.581	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(C)ccc1OC	797329414	XLEDDTCASGUILQ-FOWTUZBSSA-N	300.402	3.607	50	20	DHGD	
CCOC[C@@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1	808727405	GVBAIZYMELESPI-OAHLLOKOSA-N	301.547	3.757	50	20	DHGD	
COc1ccc(F)cc1C=NNC(=O)c1cccc2ccccc12	812226167	IQEVVUDEPNIGLT-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
N#C/C(=C/c1ccccc1OC(F)F)c1ccc([N+](=O)[O-])cn1	812245606	VPBRTJYYVGCRDC-XFFZJAGNSA-N	317.251	3.655	50	20	DHGD	
O=C(NN=C(Cc1c(F)cccc1Cl)c1ccoc1)C1CC1	814699726	IGLTVDKZZQJLSW-UHFFFAOYSA-N	320.751	3.545	50	20	DHGD	
O=C(NNc1cccc(F)c1F)c1cc(F)ccc1Cl	815856906	GWPQQEYGERIZIB-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC[C@H]1C	832969346	WTELFZXQQWEYGW-VWYCJHECSA-N	315.339	3.616	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@@H]2CCCC[C@H]2C)cc1OC	834921186	SPRGWUQOEIAQMQ-IUODEOHRSA-N	318.417	3.636	50	20	DHGD	
Cc1n[nH]c(C)c1[C@@H](C)CC(=O)NNc1ccc(C(C)C)cc1	837052347	CFVOCWNNPDQPBL-LBPRGKRZSA-N	314.433	3.787	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCc2ccc(Cl)nc2)cc1	837713827	ATVXRRWJFQGWEN-UHFFFAOYSA-N	318.808	3.685	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cc(F)cc(Cl)c1)c1cccnc1	855620389	SDIYSFDRZHNVMW-HNNXBMFYSA-N	321.783	3.757	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(CC(C)C)s2)cc1	894264836	RUNACNHILVWFIG-UHFFFAOYSA-N	304.415	3.712	50	20	DHGD	
Cc1ccc(-n2c(C)cc(/C=C(/C#N)C(=O)N3CCC3)c2C)cc1	914751356	DNVYRTGIRRGEFW-PDGQHHTCSA-N	319.408	3.542	50	20	DHGD	
O=C(NN=Cc1ccccc1Cl)c1ccc2ccccc2n1	916244051	IINXPWGQBDCUEF-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ccc(F)cc1F	935021578	GPGGUNVRDXJCRD-UHFFFAOYSA-N	308.328	3.921	50	20	DHGD	
CCCOc1cccnc1C(=O)NNc1ccc(C)c(Cl)c1	1116783939	UHKJJTCFZIEEPM-UHFFFAOYSA-N	319.792	3.589	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cncn1-c1ccccc1	1318248988	UEXDHWCSFWSCPO-HNNXBMFYSA-N	324.428	3.948	50	20	DHGD	
CC(C)(O)c1ccc(CNC(=O)c2cccc(CCl)c2)cc1	1353643603	BPEZISDLXVJUDC-UHFFFAOYSA-N	317.816	3.583	50	20	DHGD	
Cc1c(NNC(=O)C[C@H]2CCCCC2(C)C)cccc1C(=O)O	1600052712	QKDFZKICVKTGBN-CYBMUJFWSA-N	318.417	3.743	50	20	DHGD	
CSc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)cc1	7748235	RMENOFIJQWYEDD-SDNWHVSQSA-N	310.426	3.791	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCCC#N)c1C	26459958	DGPKZVSJGCWURA-SFQUDFHCSA-N	313.401	3.659	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)NNC(=O)Nc1ccccc1C	43000511	UJULOSWUXYGRKN-AWEZNQCLSA-N	320.437	3.690	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2ccccc2Cl)c(C)o1	67727387	ZTJZBNXOTPVMLJ-SNVBAGLBSA-N	307.781	3.937	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Oc2ccccc2Cl)cc1	121100700	ADEUJOMJPJJPNC-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ccncc1	128831724	VYILZVFXIFLTDX-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
COc1ccc(CCCN(C)C[C@@H](C)CBr)cc1	133656444	RGHMUYPEVTXWPN-ZDUSSCGKSA-N	314.267	3.591	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cc(Br)cc2c1OCC2	154271299	ZETDGFMKTTVFMS-LFYBBSHMSA-N	320.186	3.516	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C(C)(C)c2cccc(F)c2)c1	159199103	FHTXKQCJZXYRDA-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
CCCC[C@H](CCC)NC(=O)NNC(=O)Nc1ccccc1C	175985755	PPFVRVQGEFSHEL-AWEZNQCLSA-N	320.437	3.690	50	20	DHGD	
Cc1cnc([C@H](C)CNC(=O)NNc2ccccc2Cl)s1	183208059	YWBMSAHUAPJKKP-SECBINFHSA-N	324.837	3.535	50	20	DHGD	
CC[C@@H](CNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	193934529	KMWQREBVHDRICP-JIHKLPAASA-N	320.392	3.609	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)nc1)NNc1ccccc1Cl	255113194	PLQMXIKOWDEWMK-VURMDHGXSA-N	308.168	3.545	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)o1)C(=O)c1ccc(F)c(Cl)c1	255143329	HOVHCPOUNDILRB-YHYXMXQVSA-N	300.676	3.734	50	20	DHGD	
C=CCOc1cccc(/C=C(/C#N)C(=O)NC2CCCCC2)c1	255375586	SFLLIFQVZFRJHJ-VBKFSLOCSA-N	310.397	3.607	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc1F	255437569	STCOUSUXOSEASH-NGWPFTMJSA-N	308.356	3.919	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c(C(F)(F)F)nn(C)c1Cl	273430298	AELMJFIBOBZGOB-QAZRXNLGSA-N	319.714	3.614	50	20	DHGD	
O=C(/C=C\c1ccc(O)cc1)NNc1ccc(C(F)(F)F)cc1	492635884	UVEUVQLYXNTKGZ-KMKOMSMNSA-N	322.286	3.568	50	20	DHGD	
Cc1cc(C=NNC(=O)CC(C)(C)C)c(C)n1Cc1ccco1	728430573	CKVKDOUNBOVDOP-UHFFFAOYSA-N	315.417	3.633	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1	734312432	DMJATSJOOFOMDN-KRWDZBQOSA-N	316.445	3.690	50	20	DHGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)Nc1ccccc1F	740764466	WGOFYXFRLGGATM-SDNWHVSQSA-N	317.323	3.920	50	20	DHGD	
C[C@H](C(=O)NNc1ncccc1Cl)c1cccc(Cl)c1	743412808	SPZVUCASNHENMH-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1cccc2cnccc12	748769225	ALXJVOSDEKKAGM-HNNXBMFYSA-N	317.392	3.798	50	20	DHGD	
C[C@H](CCC(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	750537589	QTFICHWXCPIBQF-OAHLLOKOSA-N	319.408	3.684	50	20	DHGD	
C[C@@H](CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1	751945057	KTCNGPWKPDTIGZ-BRYHAGSVSA-N	322.383	3.995	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1CCCC1	753174904	WEAGDJZGHYLUNU-UHFFFAOYSA-N	311.223	3.645	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1cccc(C#N)c1	754274265	KRHAXYXBCQQXTC-GOEBONIOSA-N	319.408	3.991	50	20	DHGD	
CCc1ccccc1CCOC(=O)/C(C#N)=C\c1ccc(O)cc1	768753185	DDAUQJVNKJBEGF-AQTBWJFISA-N	321.376	3.647	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ncoc1-c1ccccc1	770371166	VDIJEJGDZMFFQP-JTQLQIEISA-N	324.174	3.529	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2SCc2ccco2)CC1	780685215	NYHKKRVRUWJIGO-UHFFFAOYSA-N	324.405	3.868	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(C(=O)OC)c1	780793358	WNUSHYPYNRIPGA-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccnc(C2CC2)c1	783588461	AXNIIDGCXAEWMP-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cc(Cl)ccc1N(CC)CC	783682716	ROHQGNBMLFSHAV-QXMHVHEDSA-N	321.808	3.569	50	20	DHGD	
CCCn1c(C(=O)NNc2cccc(C#N)c2)cc2ccccc21	787133286	APGBOMFVIQNTNZ-UHFFFAOYSA-N	318.380	3.680	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccccc1	794780025	PYROANGUFJSWAL-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	795165656	YDQSJFYSSMPPFQ-BDAKNGLRSA-N	321.368	3.821	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OC(F)(F)F)cc1	797094101	XXAUESOBJROIQE-XFXZXTDPSA-N	313.275	3.835	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(Cl)ccc1OCC1CC1	797401304	BMTXULAYWDTIGI-NSHDSACASA-N	308.809	3.625	50	20	DHGD	
CCCOc1cc(/C=C(/C#N)C(=O)c2ccoc2)ccc1OC	798229959	KAKALCJQXBMZDM-DHDCSXOGSA-N	311.337	3.867	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2c(C)cccc2CC)c1C	799755348	XLSKFNKYLXFLRU-UHFFFAOYSA-N	314.433	3.619	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NC(C1CCC1)C1CCC1	804731154	VGXWSORAULDSBU-WJDWOHSUSA-N	312.388	3.818	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Cc2cncc3ccccc23)c1	806398705	QLBORCWZCKXBGN-HNNXBMFYSA-N	319.408	3.865	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3cccnc3Cl)c2c1	807033285	KLLOZYXRYLVHOM-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@H](CCO)c1cccs1	808746019	IGKSEVLPONDZOV-CYBMUJFWSA-N	315.555	3.783	50	20	DHGD	
C[C@H](NCc1ccc(OCCCCl)cc1)[C@H]1CCCOC1	811489089	VUPNYEIQFWWALL-HOCLYGCPSA-N	311.853	3.599	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)c2ccc(CC)cc2)cc1	817925535	IBESYDVIRMSICX-AWEZNQCLSA-N	312.413	3.895	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cccnc1Cl	826787013	GYZNGVQQYIGSCS-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cnc(-c2ccccc2F)s1	834953524	IUOAHACEZBWJTK-UHFFFAOYSA-N	319.405	3.836	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(Cl)ccc2Cl)CS1	840420204	RJHQIAKUVRJNOQ-VXNVDRBHSA-N	320.245	3.514	50	20	DHGD	
CCC(O)(CC)CN(C)C(=O)CCCC[C@H]1CCSS1	863621447	KCOJXIGUUFDLKZ-ZDUSSCGKSA-N	319.536	3.710	50	20	DHGD	
CCc1onc(C)c1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	899338768	QZIBDFCFAJXNEF-NTEUORMPSA-N	309.369	3.708	50	20	DHGD	
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)N3CCC3)c2C)cc1	914751355	DNVYRTGIRRGEFW-LDADJPATSA-N	319.408	3.542	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1ccc(F)cc1)c1ccccc1	916201844	FQDKZXBQEDFMRE-INIZCTEOSA-N	301.365	3.849	50	20	DHGD	
N#C[C@H](NC(=O)CCCC[C@H]1CCSS1)C1CCCC1	921539173	YTWJMYKSWZZKKY-KBPBESRZSA-N	312.504	3.899	50	20	DHGD	
CC(C)[C@H](C#N)C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	1319380467	KSCIBYKTPKIJDR-WMLDXEAASA-N	323.396	3.505	50	20	DHGD	
O=C(CCl)Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1	1319682162	HOLRONSZRRCBPM-UHFFFAOYSA-N	321.714	3.685	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C(C)(C)C)c(Cl)c1Cl	1319963781	YDPXBSLJQSTBTF-UHFFFAOYSA-N	318.204	3.501	50	20	DHGD	
CC(C)(C)[C@H]1CC(=NNC(=O)c2ccccc2Cl)CS1	1327798359	VFRXYDRKTJQUFN-CYBMUJFWSA-N	310.850	3.977	50	20	DHGD	
CC(C)C[C@H]1C[C@H](NC(=O)c2cccc(CCl)c2)CCO1	1337213410	WBOUQLCDHWHGDC-CVEARBPZSA-N	309.837	3.749	50	20	DHGD	
CN(c1ccccc1)[C@@H]1CCN(C(=O)C2CCC(Cl)CC2)C1	1347830588	CMRGNWGQZIHZBS-VMBOVVBDSA-N	320.864	3.521	50	20	DHGD	
COCCCO[C@H](CBr)c1cccc(Cl)c1	50480293	WJTHSKFZXVETHE-GFCCVEGCSA-N	307.615	3.829	50	20	DHGD	
CN(Cc1cscn1)C(=O)CCCC[C@H]1CCSS1	63077651	UPIJAMJHTKOMPG-LBPRGKRZSA-N	316.517	3.816	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ncc(Cl)cc2Cl)c1	132601961	IAWLTMFGDBNRCH-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccncc2)cc1	160755543	JSWRJJVOHHQDHJ-SSZFMOIBSA-N	321.380	3.806	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(SC(F)(F)F)cc1	191769835	IZIMJHAMQKORDX-XFFZJAGNSA-N	321.345	3.598	50	20	DHGD	
CCC[C@H](C)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	195332867	TUCIEWBVHZFMBK-VIFPVBQESA-N	317.216	3.581	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2[N+](=O)[O-])cc1	212066252	LSBSQXMOFDTVQA-YBEGLDIGSA-N	322.320	3.554	50	20	DHGD	
COc1ccc(NNC(=O)C2CCC(C(F)(F)F)CC2)cc1	277861058	UFJGCVRCRKPIEM-UHFFFAOYSA-N	316.323	3.507	50	20	DHGD	
CCN(c1ccccc1Cl)S(=O)(=O)CCCCCl	282994574	LQCNVSKOAYRLDV-UHFFFAOYSA-N	310.246	3.515	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](c2ccccn2)C1	616614402	NCTUVUVXATWQEO-OAHLLOKOSA-N	306.526	3.893	50	20	DHGD	
Cn1cccc1C(=O)NN=Cc1sc2ccccc2c1Cl	725848157	WXRYMCIKZLGEJM-UHFFFAOYSA-N	317.801	3.657	50	20	DHGD	
CC1(c2ccccc2)CC(=NNC(=O)Cc2ccc(F)cc2)C1	729637277	XXZXOGLVONGEHZ-UHFFFAOYSA-N	310.372	3.592	50	20	DHGD	
Cc1ccccc1[C@@H](NC(=O)NNc1cccc(C#N)c1)C1CC1	732894612	NJQPPRQRVMCZEI-SFHVURJKSA-N	320.396	3.644	50	20	DHGD	
CC1=CC(=NNC(=O)c2ccc(O)c(Cl)c2)CC(C)(C)C1	734093380	CUOYTMNFGANXAE-UHFFFAOYSA-N	306.793	3.898	50	20	DHGD	
CC1=CC(=NNC(=O)Nc2ccc(OC(F)F)cc2)CCC1	741772032	RFHSXQXBZLBBAS-UHFFFAOYSA-N	309.316	3.896	50	20	DHGD	
Cc1ccncc1C(=O)NN(c1ccccc1)c1ccccc1	741880241	MYNZCLPCVJAGKB-UHFFFAOYSA-N	303.365	3.873	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cnnc2ccccc12)c1ccccc1	743411103	XILHHNTZYWDJIU-SFHVURJKSA-N	320.396	3.513	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(Oc2ccccc2)ccc1O	746881949	UGIRNFNHNDKNHJ-UHFFFAOYSA-N	320.348	3.941	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCOc2cccc(F)c2)c1	748394791	GZJHPEMJVZCFAR-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(OCC(C)C)cc1	748548587	BAASNZGCMHOSTA-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)c1cc2ccccc2o1	749476011	AWOJVIKHPQSDIW-CYBMUJFWSA-N	316.401	3.800	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2csc(-c3cccs3)n2)o1	752175845	YUKSFAWEMBGQHB-UHFFFAOYSA-N	317.395	3.537	50	20	DHGD	
CCC1(CNC(=O)NNc2cc(C(F)(F)F)ccc2F)CC1	754656352	VPAVNZXPFQBNCM-UHFFFAOYSA-N	319.302	3.661	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(Cl)c1)C(=O)NC1CCCCC1	755404137	KCAOCDWAYWALJW-XYOKQWHBSA-N	306.768	3.835	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)COc1ccccc1-c1ccccc1	755508052	ZBHPZNHWWINTHV-OAHLLOKOSA-N	310.397	3.881	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)c1cc2c(s1)CCC2	755532358	QESXZVHWBHOZHN-LSDHHAIUSA-N	310.422	3.756	50	20	DHGD	
N#Cc1cc(C(=O)NNc2ccccc2Cl)ccc1Cl	758383465	HPRMTQPMAQRASC-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(Br)cc1C	759115471	BQTCQKOXIMBBRG-UKTHLTGXSA-N	321.218	3.581	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1c(Cl)cccc1Cl	763612831	MZJCECJCWQGORU-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@@H](c1ccccc1)C1CC1	766174302	NWVCOMCXNCTUDU-INIZCTEOSA-N	323.421	3.933	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1cccc(F)c1F	766746173	DCRZIBURLYGOKA-NSHDSACASA-N	321.161	3.818	50	20	DHGD	
CC[C@@H]1CC[C@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)O1	767402996	SQTHUFLFAZIWET-LDYMZIIASA-N	321.179	3.533	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1	770070433	MUBLOHILDQIQGQ-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCc1cccc(Cl)c1	770338710	XZQYDKSBJJXJPN-JTQLQIEISA-N	319.626	3.847	50	20	DHGD	
CC1(OCC(=O)NN(Cc2ccccc2)c2ccccc2)CCC1	772950289	NDXLJHDTKHBSPN-UHFFFAOYSA-N	324.424	3.684	50	20	DHGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NCCCSC#N	774294827	YBGGMCJXATZBLZ-UHFFFAOYSA-N	319.474	3.787	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cnc2ccccc2n1	774771165	VJTFNLAIOBSWJL-ZDUSSCGKSA-N	312.417	3.679	50	20	DHGD	
CC(C)Oc1ncccc1NC(=O)NNc1cccc(Cl)c1	775520700	VYGRMMCNFBJEJE-UHFFFAOYSA-N	320.780	3.671	50	20	DHGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	775776606	IQNLMLFOSBZXQM-BXUZGUMPSA-N	300.324	3.831	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2F)sc1C	777918179	KWXCWYVMYQZYKY-VZUCSPMQSA-N	303.318	3.871	50	20	DHGD	
CCC[C@@H](CC)NC(=O)NNc1ccccc1OC(F)(F)F	779546494	XHIOMGMKSBTGFY-SNVBAGLBSA-N	319.327	3.790	50	20	DHGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1cc(-c2ccccc2)on1	783822125	TXNUKRWCSDAURQ-OLZOCXBDSA-N	311.385	3.884	50	20	DHGD	
O=C(NN=C1CCC12CCCC2)c1cc(-c2ccccc2)[nH]n1	788698795	LPBQERDEIGWODH-UHFFFAOYSA-N	308.385	3.517	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2c(F)cccc2F)c1C	792483563	XRHIXTMHGOVMAH-VIFPVBQESA-N	323.347	3.589	50	20	DHGD	
Cc1oc(C#N)cc1C(=O)NNc1c(Cl)cccc1Cl	797937978	OGNXOYRLJAOYJI-UHFFFAOYSA-N	310.140	3.523	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2cccc(C3CCC3)c2)c1	812994302	IYVWFWNRJYBERX-UHFFFAOYSA-N	306.369	3.974	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	814682374	KWEATAOLLWGEKK-CQSZACIVSA-N	320.396	3.670	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)CSc1ccccc1O	814969399	VOIVLFMZLBYJPE-GFCCVEGCSA-N	320.458	3.803	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H](CC(F)(F)F)C1	817282354	ZWXLKTJRKJHTRZ-JTQLQIEISA-N	300.162	3.602	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(C(C)C)nc2O)cc1	821939377	PYBVEERLYXFAIW-UHFFFAOYSA-N	313.401	3.791	50	20	DHGD	
CC1(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)COC1	844346216	JSIHCCAPSHSVQU-UHFFFAOYSA-N	313.558	3.757	50	20	DHGD	
CCc1nocc1CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852523387	DCXBRMWMJLRZJM-AWEZNQCLSA-N	310.514	3.833	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@H](C)Cc2ccc(Cl)cc2)n1	862521760	ZYRYEQKPPYTVRG-GFCCVEGCSA-N	317.820	3.755	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(C)c(C)c1)c1cccs1	916297942	PVJCIXURLQYYIV-UHFFFAOYSA-N	316.426	3.674	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCOC2CCCCC2)c(C)c1	918136360	YPGRMCXKVZKKFE-UHFFFAOYSA-N	319.449	3.587	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc2c(c1)CCN2C	1253479223	UOVOEFVSNUFWLJ-ATVHPVEESA-N	302.377	3.777	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1339669454	GPXWPPQMLTXGAF-YBEGLDIGSA-N	307.397	3.999	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3cccc(C)c3o2)cc1C(=O)O	1600461553	LPJBEJXCKDLJIP-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(CC(=O)O)cc2)n1	1776381092	AWQPXVWWGXYFDC-VGOFMYFVSA-N	312.394	3.958	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2cccnc2)c1C	24430642	WZBDGTJLEOZQGB-GZTJUZNOSA-N	322.412	3.846	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)NCC(C)C)cc1	40865824	GFMPGVSSFOSORE-LFIBNONCSA-N	300.402	3.545	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2c(F)cccc2F)cc1	80028918	RHXPZFNKMURUPF-UHFFFAOYSA-N	320.339	3.899	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNC(=O)c2cc3ccccc3o2)c1	118997677	KZKQUXQMDDQILQ-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c(C)n1C(C)C	122398106	NRMXPIGAHNCCLZ-UHFFFAOYSA-N	307.344	3.721	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1	124477208	NVTJJEAZTQVZDA-CHWSQXEVSA-N	304.752	3.726	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1cccc(F)c1	154247785	GEIYGWCAYBXZOI-HNNXBMFYSA-N	304.390	3.840	50	20	DHGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NNc1cccc(F)c1	154728360	JRTRLITUBSDXEU-NSHDSACASA-N	322.380	3.836	50	20	DHGD	
O=C(CCSc1ccccc1)NNc1c(F)cccc1F	156514667	CEQBZWRFCHTDJC-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
FC(F)CO[C@@H]1CCCCCC[C@H]1I	158530341	AOXMWEXSEGGQQI-RKDXNWHRSA-N	318.145	3.795	50	20	DHGD	
CC[C@H](NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	160672046	SZGJVWRNKJNEKF-INIZCTEOSA-N	323.371	3.760	50	20	DHGD	
CC[C@H](CC(=O)NNc1cnc2ccccc2n1)c1ccccc1	163637882	JCWMMIKHNVHIIM-CQSZACIVSA-N	320.396	3.657	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2F)c1	172214892	BIYOVPMGEAUDPR-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccccc1OC(F)(F)F	190213263	BQIZQUKMOKJGDC-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1cccc2c1CCCC2	293408248	OWZRVBWQEVYUHK-UHFFFAOYSA-N	313.401	3.742	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	490550292	TXQHNCOCZMKRRG-POHAHGRESA-N	314.694	3.568	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1ccc(Cl)c(Cl)c1O	727650942	CEHPGWLUGZMWJJ-UHFFFAOYSA-N	315.200	3.729	50	20	DHGD	
CCC(C)=NNC(=O)c1ccc(Br)cc1Cl	728783125	ZVDKBRTWFPYOSX-UHFFFAOYSA-N	303.587	3.618	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)Cc1ccc(Cl)cc1	729636506	KOXMZOAKSLMJNQ-UHFFFAOYSA-N	306.818	3.679	50	20	DHGD	
COCC(CC(C)C)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	730727538	XBALUVNNHDKGQO-LBPRGKRZSA-N	322.474	3.651	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H]1CCCc2ccccc21	734553760	YAISPDBXZZUBAP-GFCCVEGCSA-N	320.314	3.667	50	20	DHGD	
C=CCCOC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	740189875	NGIHBQCXVXWAJQ-LICLKQGHSA-N	300.402	3.787	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)c2ccncn2)cc1OCC	758913938	DXCMANUKDZUFPH-GDNBJRDFSA-N	309.369	3.728	50	20	DHGD	
CC(C)[C@@H]1CC(=NNC(=O)c2ccc(N)cc2)c2ccccc21	766432709	ZFYWRPLDGMZGBJ-KRWDZBQOSA-N	307.397	3.546	50	20	DHGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1c(F)cccc1Cl	770197642	RTZTUMXLYJQFII-LLVKDONJSA-N	316.804	3.764	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cccc(C(F)F)c1	770364158	AQJYLZJOZJAZGH-MRVPVSSYSA-N	307.134	3.812	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(F)c2)c(C(F)(F)F)o1	771422393	PZWUHVHASYURAE-UHFFFAOYSA-N	302.227	3.503	50	20	DHGD	
N#C/C(=C/c1occc1Br)C(=O)c1cccc(F)c1	772172228	PYEYHFZQQVBSJS-YFHOEESVSA-N	320.117	3.971	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(Br)c1OC	773914744	HWPGRSRXIUFEJU-ZDIKFAODSA-N	322.202	3.980	50	20	DHGD	
Cc1ccc2c(c1)N(C(=O)[C@@H](Br)C(C)(C)C)CC2	781091801	LFDIDFGCTZFBFF-CYBMUJFWSA-N	310.235	3.694	50	20	DHGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)c1cc(C)cc(C)c1	786921433	VHFJUVFISQXNKH-ATVHPVEESA-N	320.392	3.969	50	20	DHGD	
CSSCC/N=C/c1cc(Br)ccc1O	790574577	NDKXOKXWNQHBRI-KPKJPENVSA-N	306.250	3.585	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cccc(CC(C)C)c1	794895641	GJPAROJGIQFOKZ-UHFFFAOYSA-N	300.324	3.678	50	20	DHGD	
CCSc1cccc(/C=C(\C#N)C(=O)C2CCOCC2)c1	794958365	JYLUCBJYTDCUAS-XNTDXEJSSA-N	301.411	3.701	50	20	DHGD	
C=C(CBr)COC(=O)C[C@H](C)c1ccccc1C	795513746	BDFJCPUHSINYLY-ZDUSSCGKSA-N	311.219	3.983	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)COc1cc(C)ccc1F	799754718	OTOLECXYKHEEOS-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1Cc2cc(C)c(C)cc2O1	799755384	YAHOOMMHJHZFDA-SFHVURJKSA-N	324.424	3.621	50	20	DHGD	
CCOCC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	808466100	RHSYCSVIXQPZFH-CYBMUJFWSA-N	319.536	3.879	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1cccc(Cl)n1	817007727	NHXSVJSZEIUMJH-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
Cc1cc(NC(=O)[C@H](Br)C(C)(C)C)nn1C(C)C	817701504	INGPCBIHBBHZAL-NSHDSACASA-N	316.243	3.521	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ccccc1OC(F)(F)F	829949627	WQTDKTFEPMGAMJ-HZMBPMFUSA-N	316.323	3.855	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Br)c1)[C@@H]1C[C@H]1C	841627010	XVKUSOPDTKAFEJ-BXKDBHETSA-N	309.207	3.601	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Br)c1)[C@H]1C[C@H]1C	841627015	XVKUSOPDTKAFEJ-SKDRFNHKSA-N	309.207	3.601	50	20	DHGD	
CCO[C@H](CC)C(=O)NNc1ccccc1Cc1ccccc1	846463493	DPVOFUHAUHDZEV-GOSISDBHSA-N	312.413	3.536	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@@H](C#N)CCC#N)C1	852522864	RAZWMNYREGPJGC-CABCVRRESA-N	307.514	3.526	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1cc(Br)c[nH]1	853283743	BOVPEZGUBWLXOX-SNVBAGLBSA-N	324.222	3.629	50	20	DHGD	
CCSc1ccccc1C(C)=NNC(=O)OCC(F)(F)F	853429155	FRDLRAMYORVERQ-UHFFFAOYSA-N	320.336	3.811	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ncccc1F)c1ccc(Cl)cc1	854416981	YAUWQTYJJFXNAO-CYBMUJFWSA-N	321.783	3.901	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ncccc2C(F)(F)F)c1	857133295	ULHGHMUTYDNRBR-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
C[C@]1(CNC(=O)CC/C=C\c2ccccc2)C[C@@H]1Br	857400398	ZHCKYTSLVDRKNO-SJIIUEBRSA-N	322.246	3.770	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)N[C@@H]1CCCC(F)(F)C1	875392331	HIILWBAXSUAMTQ-MRVPVSSYSA-N	321.730	3.683	50	20	DHGD	
C#CCSCC(=O)Nc1c(CC)cc(SC#N)cc1CC	887901882	LSRVLKKQJRXZCM-UHFFFAOYSA-N	318.467	3.689	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(Br)s2)cc1	916356667	HWOMSSYNMYMGGR-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
CCc1cccc2c(C=NNC(=O)c3ccc(OC)cc3)c[nH]c12	1317706380	SGMOIRSNAPWLQW-UHFFFAOYSA-N	321.380	3.503	50	20	DHGD	
COc1ccc(Cl)cc1[C@H](CC(C)C)NC(=O)CCl	1319921786	MQTHNZCPYNAUDO-LBPRGKRZSA-N	304.217	3.791	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(C3CCC3)c2)nn1	1321648128	HOCQZUUSBHDYFJ-UHFFFAOYSA-N	324.428	3.799	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](c2cccnc2)C1	1337267659	DNHOQXJXULJJRS-QGZVFWFLSA-N	314.816	3.840	50	20	DHGD	
CC[C@@H](C)[C@H]1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045271	NUJUXMJEDRHUNF-YPMHNXCESA-N	317.389	3.709	50	20	DHGD	
O=C(NN=C1CCCCCCC1)c1cc(Br)c[nH]1	7862762	MMZDIQBECFSJNI-UHFFFAOYSA-N	312.211	3.607	50	20	DHGD	
O=C(CCn1ccc2ccccc21)NNc1cccc(Cl)c1	30614255	IVZHXMNYWAORDY-UHFFFAOYSA-N	313.788	3.828	50	20	DHGD	
O=C(CCCc1ccccn1)NNc1cccc(C(F)(F)F)c1	104889303	TYCWQBGLUXBNDA-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
COc1cccc(SCC(=O)NNc2cccc(Cl)c2)c1	112863286	WNDICQDOXRULMH-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2ccc(F)cc2C)c1	119158335	VXHULBMMPNFUGV-LBPRGKRZSA-N	316.376	3.780	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1F	121868090	XCGNARFRYZACJB-JTQLQIEISA-N	324.302	3.674	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cn1)c1ccccc1	131730000	UFNDAXIUASNJMR-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2ccc(C)nc2)c(C)c1	154242854	RLXMCDGGXYLFII-RQZCQDPDSA-N	305.381	3.861	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(F)c(F)c2F)CCC1	156904374	JFMPNVLPKURHFB-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OC2CCC2)c1	158802468	BNNHYOQVLFHZEZ-UHFFFAOYSA-N	310.397	3.992	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Br)ccc2C)c1	175227719	QOSJNPCBSLWJTE-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CS[C@@H](C(=O)NNc1cc(C)cc(C)c1)c1ccccc1	178982592	MJJQJHVUDOBKJU-MRXNPFEDSA-N	300.427	3.851	50	20	DHGD	
C[C@H]1CC(NC(=O)NNc2ccc(C(C)(C)C)cc2)C[C@H](C)O1	181683653	XTCNDIACYRMDSZ-STQMWFEESA-N	319.449	3.566	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2c(C)cccc2F)cc1	184340412	IQNXHZKWDBKXNU-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1Oc1ccccc1	220615798	MWHRAAVPTQWRJM-YPKPFQOOSA-N	308.337	3.861	50	20	DHGD	
O=C(NNc1ccccn1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2	245618573	ZJLLCFCEIYZBMJ-ABSDTBQOSA-N	321.424	3.574	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)C[C@@H](C)C2CCCCC2)c1	293812670	CHMCSJMEOCECHW-CYBMUJFWSA-N	317.433	3.695	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(Br)cc1Cl	384074578	RNPYIFSGRPYBGH-WEVVVXLNSA-N	314.566	3.573	50	20	DHGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(-c2cccc(C)c2)c1	726764926	PPPWYJSWFPOISK-RGEXLXHISA-N	320.392	3.722	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc(N2CCCCC2)cc1	728430828	GTVKXDCULNAVDU-UHFFFAOYSA-N	315.461	3.953	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	728439789	OJNJBLMQUJUPSL-JXMROGBWSA-N	302.380	3.508	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)c1ccccc1C	733251089	QFJXGNAYCZLAGN-MRXNPFEDSA-N	316.445	3.753	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/C=C/c2ccccc2)cc1	734304205	FZGBNDJDEGNQDH-CXUPVGNPSA-N	302.377	3.775	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1ccc(Cl)c(F)c1	746700585	LIWHSBIOMOQNMU-OAHLLOKOSA-N	321.783	3.813	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(C#N)cs2)c1C	748438734	FBUIWWHYTLUQAH-VGOFMYFVSA-N	307.378	3.782	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1cc(C)c(C)o1	748753904	AYPNUEJDOKALGN-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1ccsc1	749099505	PHBWLHFCMWASNV-UHFFFAOYSA-N	308.406	3.984	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)c1cc(-c2ccccc2)[nH]n1	752717827	FIAQWJKXLOYIBW-UHFFFAOYSA-N	310.401	3.763	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1cc2ccc(C)cc2o1	754944370	PRAJEBJLJYMDDG-UHFFFAOYSA-N	317.348	3.767	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(OC(F)F)c2)C[C@H]1C	767376786	DYJWLSIHTLZQSA-WDEREUQCSA-N	310.344	3.830	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(Cc2ccc(Cl)cc2)CC1	770810981	DBNGORQNRCYOGD-UHFFFAOYSA-N	318.779	3.945	50	20	DHGD	
O=C(NCC1(C2CC2)CCC1)NNc1c(F)cccc1Cl	771344677	RTBQYLIWTQBAHK-UHFFFAOYSA-N	311.788	3.686	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2cc(F)ccc2[nH]1	771712273	BLDHTXAMHKXZJQ-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
COC(=O)c1coc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c1	774131416	RRRRBOSRXKZKCC-YWEYNIOJSA-N	321.741	3.571	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)COc1cccc(C)c1	774319608	GLXYRHIEOSEQNK-UHFFFAOYSA-N	316.323	3.599	50	20	DHGD	
C[C@@H](CC(=O)NNc1cnc2ccccc2n1)CC(C)(C)C	774784490	UBDGBKJUFDQOBT-LBPRGKRZSA-N	300.406	3.535	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2nccc3sccc23)C[C@@H](C)C1	780516294	MNBDUBZKVDBWKB-QWRGUYRKSA-N	303.431	3.812	50	20	DHGD	
N#C/C(=C\c1cccc(Br)n1)C(=O)C1CCCC1	781555118	ZDAGRYCURFCVIC-DHZHZOJOSA-N	305.175	3.510	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cnc2c(c1)CCCC2	782658686	LLOLMWZGCXZLSI-UHFFFAOYSA-N	316.792	3.762	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cscc2Cl)c1	786050231	LSRDCNYIWJHAOJ-AWNIVKPZSA-N	316.813	3.933	50	20	DHGD	
CSSCCNC(=O)CCCOc1ccc(C)c(C)c1	791116103	HGMTWSMXOAHFBM-UHFFFAOYSA-N	313.488	3.590	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc2c3c(cccc13)CC2	792219879	MYMRLBIBRHILEJ-UHFFFAOYSA-N	318.380	3.790	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc([N+](=O)[O-])ccc1C	799755099	STFGLRWQUOSQAD-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
CCCC(=O)NNC(=O)Nc1c(Cl)cc(Cl)cc1Cl	802068733	HSOGCWKWUXRLJZ-UHFFFAOYSA-N	324.595	3.600	50	20	DHGD	
Cc1ccc(CCCCC(=O)N(C)CC(Cl)Cl)cc1	808247517	DEALRGKREJKSOL-UHFFFAOYSA-N	302.245	3.970	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C/C(C)=C\c1ccccc1OC(F)F	811638997	LDWMHZKXRUFBNB-LANKVJAOSA-N	310.344	3.839	50	20	DHGD	
CNc1snc(C)c1C(=O)NNc1c(C)cccc1C(C)C	812766541	RJIDMRIESBWIIE-UHFFFAOYSA-N	318.446	3.682	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2coc3ccccc23)cc1	814997811	HLWLBVLFSKGMRA-UHFFFAOYSA-N	323.352	3.987	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	817005053	BXTOIQYWWZRGFR-CQSZACIVSA-N	315.804	3.928	50	20	DHGD	
CCC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(C)(C)C	836819683	SBRJFDFNIFXTNQ-WSYSLRRZSA-N	300.402	3.630	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(CN)c1	841304415	MEGQZKJKIBDDGX-UHFFFAOYSA-N	312.417	3.726	50	20	DHGD	
CO[C@@H](C)CCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378013	APBWKXZWYFXSBR-QMMMGPOBSA-N	324.730	3.617	50	20	DHGD	
Cc1nocc1COC(=O)CCCC[C@H]1CCSS1	849654606	ZUXUCEVXUGIIIU-LBPRGKRZSA-N	301.433	3.740	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)Nc1ccc(OC(F)F)cc1	853310746	HXRLNPGSEKGBGE-UHFFFAOYSA-N	324.331	3.725	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1C[C@H]1c1sccc1C	855366404	DVUKQIKOFCBXFO-CHWSQXEVSA-N	304.390	3.751	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@@H](C(F)(F)F)C2)C[C@@H]1Br	856808589	AUIKXYFKNJVPHH-CHWFTXMASA-N	314.189	3.871	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccsc1C(F)(F)F	863180104	ZAKJDSMCEHMBGH-FLIBITNWSA-N	316.348	3.980	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCO[C@H](C(C)C)C1	885129844	HHSPOGXJGULMEN-WFASDCNBSA-N	310.825	3.543	50	20	DHGD	
CC(C)(C)C(=O)NN=C1CCOc2c(Cl)cc(Cl)cc21	915966155	AYFVKGWSMWMXTQ-UHFFFAOYSA-N	315.200	3.642	50	20	DHGD	
O=C(NC[C@@H]1CCCc2ccccc21)NNc1ccc(F)cc1	916568631	VLTXZDUOGGNMND-AWEZNQCLSA-N	313.376	3.572	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1cc2c(s1)CCC2	917026248	LRTAHWIKRKSUIO-UHFFFAOYSA-N	302.399	3.568	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](CC(C)(C)C)c1ccc(F)cc1	917605229	XESVECAONOIZQF-HECSCLNYSA-N	318.392	3.863	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@H](C)c1nccs1	921952970	QTXZFQBPLQQHON-JTQLQIEISA-N	324.837	3.535	50	20	DHGD	
O=C(CCCc1ccccc1)NN=CCCc1ccc(F)cc1	1322773327	KMXLQDLTKQSLRV-UHFFFAOYSA-N	312.388	3.883	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)c(C(=O)O)c1)C1CCCCC1	1592253541	ZGWSRBYYKYERQD-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1nc(Cl)ccc1Cl	46081309	HJHDVDJYCQTKTJ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2cccc(C)c2C)cc1	108658712	GRLLVXYYHUWLGY-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1c(F)cccc1F	118511151	FVQJZNLXWZXNAC-LBPRGKRZSA-N	302.324	3.528	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OCC2CC2)c1	158685893	YEVYXNDXWMQYLG-UHFFFAOYSA-N	310.397	3.849	50	20	DHGD	
CC[C@H](NS(=O)(=O)CCCCCl)c1ccc(Cl)cc1	163431590	LJCZJISGDLWKGK-ZDUSSCGKSA-N	324.273	3.730	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)C(CC)CC)c1C	171093547	SCNPPWWMQGIKEU-NTEUORMPSA-N	316.401	3.721	50	20	DHGD	
CCn1cc(/C=C(\C#N)c2nc3ccccc3n2C(F)F)cn1	171806060	OOQJOHVJTIJPDX-KPKJPENVSA-N	313.311	3.712	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(Cl)ccc1OC(F)F	178099590	RREAFGOEWFDXRR-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@H](Cc2ccccc2)C1	181541383	PWRAMBMIGTXIAT-QKPLWSGESA-N	322.383	3.634	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2c(C)cccc2F)s1	184374593	NORFYYKUDNNHGL-UHFFFAOYSA-N	307.394	3.608	50	20	DHGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)CC(C)(C)C	282729021	XESZBCLJDPGJGP-XNTDXEJSSA-N	322.412	3.796	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2CCC(=O)c3ccccc32)c1	285453428	ZMIZOIWFIISNMU-INIZCTEOSA-N	308.381	3.507	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12	491010999	NNJNYOTXYFHIEQ-KLDSGFLGSA-N	312.344	3.600	50	20	DHGD	
O=C(/C=C\Sc1ccccc1)NNc1ccc2ccccc2n1	588391649	IUEHLAQFQRIWPV-SEYXRHQNSA-N	321.405	3.984	50	20	DHGD	
C/C=C(/CC)C(=O)NNc1ccc(Br)cc1Cl	588575403	BKZGPPKZRAPULH-BAQGIRSFSA-N	317.614	3.902	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cn1	732713754	GQFFVFSHMXJEFW-OVCLIPMQSA-N	305.341	3.578	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1cc(Cl)ccc1Cl	745823522	VGAFWDODWNSWCZ-NCXKZPMSSA-N	313.184	3.615	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cccc2cccnc12	747362042	KELJVVDYDVTDPN-ANQUJSFKSA-N	319.408	3.777	50	20	DHGD	
CC(C)CCO[C@H](C)C(=O)NNc1ccc(Cl)cc1Cl	748018835	OZFXYKSBRHUJFX-SNVBAGLBSA-N	319.232	3.888	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H]1CCCC[C@@H]1C	751165194	OLQVQZWXHYIRNO-NWDGAFQWSA-N	307.346	3.725	50	20	DHGD	
Cc1cccc2c1CC[C@@H]2NC(=O)/C(C#N)=C/c1ccc(F)cc1	752030259	PQAFOKMVNCITBO-LSSBLYJVSA-N	320.367	3.845	50	20	DHGD	
Cc1cccc2c1CN(/C(=C/C#N)c1ccc([N+](=O)[O-])cc1)CC2	759874744	KOLRZOFVMINOQS-DJKKODMXSA-N	319.364	3.826	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2ccc3c(c2)CCCC3)c1	760141457	LIQALWXTPBPPGZ-UHFFFAOYSA-N	312.388	3.699	50	20	DHGD	
Cn1cnc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)ccc21	761202717	WITPHJBCWIIDSB-RIYZIHGNSA-N	304.309	3.546	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1scnc1Cl	763610719	PKRLALVJQRNORH-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
CCN(Cc1ccc2c(c1)OCO2)/C(=C\C#N)c1ccccc1	764186846	JWVWWGVBAGKQJE-YVLHZVERSA-N	306.365	3.802	50	20	DHGD	
O=C(NN=C1CC[C@H]1c1ccccc1)c1c[nH]c2ccccc12	769765237	VGLHIPCRNPVEIP-AWEZNQCLSA-N	303.365	3.831	50	20	DHGD	
CCCOc1cc(C)ccc1NC(=O)NNc1cccc(C#N)c1	769972348	YZMWUQISRRVNFU-UHFFFAOYSA-N	324.384	3.804	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3c(F)cccc3Cl)CC2)c1	770190216	CEQAQDQWBPUNGT-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
C[C@H](CBr)COC(=O)C1(Cc2ccccc2)CC1	770392236	QCBGEVAYXZNKSR-GFCCVEGCSA-N	311.219	3.584	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cscc2Cl)c1	771843209	XRNVYGIPQULNBT-YHYXMXQVSA-N	318.785	3.956	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1nccnc1C(C)C)c1ccccc1	772860413	QGYUOIOWODFYGG-INIZCTEOSA-N	324.428	3.793	50	20	DHGD	
CCCc1cc(C(=O)NNc2nccnc2C(C)C)sc1C	772867031	PWPZLJYSFQFXIR-UHFFFAOYSA-N	318.446	3.679	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cnc2ccccc2n1	774771285	XFBKHYGXNURHML-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1cnc2ccccc2n1	774780468	YBXSWKDMOYSCFT-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
C=C(C)CN(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	778122740	ULYCCQHLQZIQBV-NVMNQCDNSA-N	313.445	3.702	50	20	DHGD	
CO[C@]1(C(F)(F)F)CCCN(/C(=C/C#N)c2ccccc2)C1	781984716	JXRSZTAUQUIGRQ-UJMHRVFCSA-N	310.319	3.594	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3ccccc3F)cn2c1	789129712	XRRYNFJYCMWKAJ-MDWZMJQESA-N	305.312	3.572	50	20	DHGD	
CO[C@@]1(C)CCCN(C(=O)CCCC[C@H]2CCSS2)C1	792504331	IDWXWQRERXMWCK-ZFWWWQNUSA-N	317.520	3.728	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccccc1F	794786645	QUKVOJMUSHTARZ-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/C=C1/N(C)c2ccccc2C1(C)C	798179024	FFUNQGRXSVYKSN-MIKCAUBTSA-N	323.440	3.520	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	799757406	VIUSSMCGRFZGAR-IRXDYDNUSA-N	312.388	3.943	50	20	DHGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)C1CCC1	800813002	OXAQXKYMPJQOTK-UHFFFAOYSA-N	312.335	3.930	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)CCCCCC#N	807121924	OURJSHBVVHPBBD-UHFFFAOYSA-N	324.222	3.675	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(Cl)cc(C(F)(F)F)c1	808128713	DIFMALMTPSVNMM-UHFFFAOYSA-N	320.525	3.892	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)N(C)CC(Cl)Cl	808246677	ILRKBOWPNHVURH-CYBMUJFWSA-N	302.245	3.763	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)N1[C@@H](C)CC[C@H]1C	812766465	HRYPWFWSBWUBDV-XHSDSOJGSA-N	317.477	3.823	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(C(F)F)CCCC1	813494665	WQONYUCSPCMZFS-UHFFFAOYSA-N	322.277	3.974	50	20	DHGD	
O=C(NN=C1CC[C@@H](Cc2ccccc2)C1)c1ccccc1F	814699742	JKCIUKWPJKUESC-HNNXBMFYSA-N	310.372	3.954	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC[C@H]2C2CCC2)c2ccccc2n1	814713475	BAYZKZUCHXCWKR-AWEZNQCLSA-N	307.397	3.839	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CCC1)C12CC3CC(CC(C3)C1)C2	814728658	FLGNVHMLXPSUMN-QAQURRIXSA-N	300.446	3.885	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1O	814833168	AZYQXHRTVKKWMD-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CCC1)c1cccc(Br)c1	814857115	GQWIGHFGIARITN-CYBMUJFWSA-N	321.218	3.745	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1=CCCCCC1	819747544	TYZSYOBULRZGDC-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)c(OC)c1	830804167	WKDHRHWHFSSEGF-MRVPVSSYSA-N	324.730	3.770	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cccc3c2CCNC3)cc1	841308946	SGZFBIMEGQULBX-UHFFFAOYSA-N	324.428	3.604	50	20	DHGD	
N#CC1=CCN(C(=O)CCc2c(Cl)cccc2Cl)CC1	847632065	NMWRCJNKDLAMLU-UHFFFAOYSA-N	309.196	3.608	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CCCC(F)(F)C1	854040212	SZMXNAXKFFRMDC-NSHDSACASA-N	315.339	3.586	50	20	DHGD	
CSCc1c(C(=O)NCCCSC#N)oc2ccccc12	854362796	BCKUNSZDEJBZKY-UHFFFAOYSA-N	320.439	3.630	50	20	DHGD	
C[C@H](CCc1ccsc1)NC[C@@]1(C)C[C@@H]1Br	857064037	BSCOTEONTNQOMT-KGYLQXTDSA-N	302.281	3.832	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)C2CCC2)c(C(F)(F)F)c1	857264778	MQTHMRJUJYFUKL-SECBINFHSA-N	316.323	3.593	50	20	DHGD	
Cc1ccc(C=NNC(=O)CCSc2ccc(F)cc2)cc1	916345720	CBYLCGNTPIJHHB-UHFFFAOYSA-N	316.401	3.767	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccncc2)c(C)n1C1CCCCC1	917023137	XQQACCVMLJARKF-UHFFFAOYSA-N	324.428	3.769	50	20	DHGD	
CC[C@@H](C)[C@H](C)NC(=O)NNc1ccccc1C(F)(F)F	920049375	QUNGDLTUIGNBGN-ZJUUUORDSA-N	303.328	3.766	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCc2ccc(C)cc2)cc1	1321993257	ABFXEWMPHUBBDA-UHFFFAOYSA-N	310.397	3.742	50	20	DHGD	
CN(C)CCCC1CCN(C(=O)c2cccc(CCl)c2)CC1	1337215793	VTRMIQRKAQMTTC-UHFFFAOYSA-N	322.880	3.619	50	20	DHGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)c1nc2ccccc2n1C	1346462919	VNDMEWQGSUMQRR-PNESKVBLSA-N	319.836	3.548	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NNc1cccc(Cl)c1	30611284	UIORJJPRLXIMFQ-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
C[C@H](N(C)S(=O)(=O)c1ccc(CCCl)cc1)C(C)(C)C	37842575	WKVKOPQSZFAWQN-LBPRGKRZSA-N	317.882	3.523	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)c1ccc(F)c(Cl)c1	90987971	HOVHCPOUNDILRB-BJMVGYQFSA-N	300.676	3.734	50	20	DHGD	
Cc1cc(OC(=O)c2nccc3ccccc23)ccc1[N+](=O)[O-]	113653850	AZFVLEFGMSCAMD-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccs1	122721349	JVVJTWJPIVJGJN-VIFPVBQESA-N	312.341	3.596	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(C#N)cc1)c1ccc(Cl)s1	155522097	XMSHLBJBOOXVEO-VIFPVBQESA-N	305.790	3.520	50	20	DHGD	
Cc1cc(NNC(=O)CCC2CCC2)ccc1Br	175383677	SLJFJQSCEHUERF-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
C/C(=C\C(=O)NNc1cccnc1Cl)c1ccccc1Cl	176253425	MLEFHXZKWVYKRZ-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	177609165	YROCBZFZSRITJQ-FOWTUZBSSA-N	324.336	3.684	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C)cc1	179175054	UXMJSXDTMDEGRP-YDRQLGOLSA-N	322.412	3.788	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)c1	207710335	MVFBUEAWIWJWCR-MDWZMJQESA-N	312.756	3.900	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)cc1)NNc1c(F)cccc1F	255111755	PFIKQHHUHSTAHH-TWGQIWQCSA-N	308.715	3.775	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cccc2c3c([nH]c12)CCCC3	276787072	VYXUJKGNXNRBHP-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1CCO[C@H](CC)C1	281699864	GVYVQAGMZBCRCW-GDBMZVCRSA-N	304.434	3.596	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc2c(O)nccc2c1	285799260	UUESCFUKWWCCES-UHFFFAOYSA-N	315.417	3.990	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(Br)s1	295836829	HSOPODLBQZDXST-FNORWQNLSA-N	302.168	3.735	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C\c2cccc(F)c2)cc1Cl	492501319	JKRXKAOVVDEVLK-DAXSKMNVSA-N	315.735	3.507	50	20	DHGD	
O=C(CCc1ccccc1O)NN=Cc1ccc2ccccc2c1	729937825	GOTSNAJDVGMOCF-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)c1ccccc1F	733215026	PUCGLGDOAVUZKJ-AWEZNQCLSA-N	320.408	3.583	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C1	734978106	SQYBDNVRNFAYLG-CHWSQXEVSA-N	306.381	3.665	50	20	DHGD	
N#CCN(C(=O)CCCC[C@H]1CCSS1)C1CCCC1	737922969	HTNMGQDALSIAAK-AWEZNQCLSA-N	312.504	3.995	50	20	DHGD	
Cc1ccoc1C=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	743422811	GPYPRLDJKWOQPP-UHFFFAOYSA-N	321.380	3.759	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2ccc(F)cc2C)c1	748561398	PRGAYFHTMXMHAF-UHFFFAOYSA-N	318.417	3.819	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2cccc3c2CCCC3)c1	748586084	VIFUWXFCMHASSC-UHFFFAOYSA-N	308.425	3.950	50	20	DHGD	
CCCCCCCCCN(C)C(=O)NNC(=O)C1CCCC1	753334113	DUUAPHNNDSMPEX-UHFFFAOYSA-N	311.470	3.600	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1Cc2ccccc21	754154319	XNFSXDZTTYUHAC-LBPRGKRZSA-N	324.277	3.628	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761584632	HXINXUCVLKMTJV-QWRGUYRKSA-N	316.323	3.855	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1ccc(C(F)(F)F)cn1	775255227	KUGCXVUIBPEJEV-JTQLQIEISA-N	303.328	3.760	50	20	DHGD	
C[C@@H]1C(=NNC(=O)c2cccc(OC(F)F)c2)CCC[C@H]1C	781122188	LORQEASDKZRVPB-MNOVXSKESA-N	310.344	3.830	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccnc2cc(Cl)ccc12	785874021	XCQVTTYINXBXNL-INIZCTEOSA-N	303.793	3.934	50	20	DHGD	
CC(C)c1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C\C2CC2)cc1	786668492	GYMQIESUBDTHNB-NWRYFCBHSA-N	311.381	3.784	50	20	DHGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)c1cccc(C)c1	786915239	BEJHIHAPVGHMFZ-VBKFSLOCSA-N	306.365	3.661	50	20	DHGD	
Cc1nc(-c2ccccc2)c(C(=O)NNc2ncccc2C)s1	791215531	UZVQREIFHJIBTG-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1cc(OC(C)C)ccc1NC(=O)NNc1ncccc1C	792247619	DUDPQTUFKPZBMI-UHFFFAOYSA-N	314.389	3.634	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2occc2s1	795514007	BYUUEOHADKXXNN-UHFFFAOYSA-N	301.161	3.602	50	20	DHGD	
O=C(NNc1cccc(F)c1F)NC(C1CCC1)C1CCC1	807544683	YOYNIOJVXZUMQK-UHFFFAOYSA-N	309.360	3.560	50	20	DHGD	
O=C(NN=CCCC1CC1)c1ccc(COc2ccccc2)o1	807957774	XSLAHEJRRHKROH-UHFFFAOYSA-N	312.369	3.764	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2cccc(Cl)n2)cc1	817004732	NXXMJQCYFHCGMB-GFCCVEGCSA-N	317.820	3.934	50	20	DHGD	
CN(NC(=O)Nc1ccccc1N1CCc2ccccc21)C1CC1	824031431	KOASVCGUIRCNJO-UHFFFAOYSA-N	322.412	3.512	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc2ccccc2c1O	825286221	GSWPXTVICDKQKB-UHFFFAOYSA-N	312.756	3.956	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2CC[C@H]3C[C@@H]23)ccc1Br	825855310	ULBHASFALVVFPO-GMXVVIOVSA-N	323.234	3.637	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1sccc1CN(C)C	836934269	RYIVWFMSDJKGTR-UHFFFAOYSA-N	323.849	3.528	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NN(C)C(=O)OC(C)(C)C)cc1	838366327	UVVZBZWSMYGPES-UHFFFAOYSA-N	324.446	3.699	50	20	DHGD	
CC(C)OCCC(=O)NNc1ccccc1Oc1ccccc1	846464406	YIRRLSJBITVYFV-UHFFFAOYSA-N	314.385	3.737	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1nc2ccccc2n1C	848380700	ORFMLFIKAZGILG-UHFFFAOYSA-N	322.412	3.529	50	20	DHGD	
C[C@@H](NNC(=O)CCCc1ccc2ccccc2c1)C(F)(F)F	862317454	YPGDZKMXHPJNGH-GFCCVEGCSA-N	324.346	3.734	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(OC(C)C)cc2)cc1	915948612	XERDGQPBSSFTBG-UHFFFAOYSA-N	310.397	3.800	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@H](C)c2ccccc2)c1	916298115	VWHXEJXYKSVZKI-INIZCTEOSA-N	310.397	3.588	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)o1)c1ccccc1F	917535179	YIYWZTFMHMKMJZ-UHFFFAOYSA-N	308.312	3.850	50	20	DHGD	
CCn1cncc1COC(=O)CCCC[C@H]1CCSS1	1345591757	VPVUBXAMMDVPFX-ZDUSSCGKSA-N	314.476	3.660	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1cccc(C(=O)O)c1C)C(C)(C)C	1605216471	ZAMVRAMLEZGRGH-CQSZACIVSA-N	321.421	3.534	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O	1776131257	MUGOMFUWNJIRSU-RIYZIHGNSA-N	308.293	3.666	50	20	DHGD	
N#C/C(=C/c1ccccc1OC1CCCC1)C(=O)NC1CCCC1	63278273	ORQPKBPYQVCWAR-SSZFMOIBSA-N	324.424	3.974	50	20	DHGD	
CC(C)C[C@H](C)OCCC(=O)NNc1ccnc2ccccc12	88362944	FZBAKSHDMFDYQD-AWEZNQCLSA-N	315.417	3.519	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Nc2ccccc2)cc1	100264262	MYMKKIRMVCFCHM-YPKPFQOOSA-N	307.353	3.813	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2CCCc3ccccc32)ccc1[N+](=O)[O-]	112893793	IYFRNBLRGMOCBW-INIZCTEOSA-N	311.337	3.929	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C)n(C2CC2)c1C	119105781	WBLSBCWJAGOXKR-UHFFFAOYSA-N	301.365	3.644	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2ccc(OC(F)F)cc2)C1	121688626	QYLSIDNCBAFZKM-RYUDHWBXSA-N	312.360	3.948	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	122039429	MXUQCBYJTDYOHA-YWEYNIOJSA-N	324.142	3.656	50	20	DHGD	
C[C@H]1CC[C@H](CCC(=O)NNc2ccc(Cl)cc2Cl)O1	151951059	IBWGVEVCYFLRCJ-GXSJLCMTSA-N	317.216	3.784	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	172814988	ZKWCDGPWXHPLCG-IZZDOVSWSA-N	317.801	3.959	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)c2nc3ccccc3n2C)c1C	178029214	GXHWHGSZVIUZQT-RVDMUPIBSA-N	319.412	3.861	50	20	DHGD	
O=C(CCc1cccs1)NNc1cccc2c1CCCC2	179019446	JOBTZXDAWKCVEH-UHFFFAOYSA-N	300.427	3.703	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)N[C@H]1CC=CCC1	179280347	KBBRIWRNLUGUNZ-JTQLQIEISA-N	317.286	3.579	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccc2c(c1)Cc1ccccc1-2	183063723	NPNMXIOQHDYUME-UHFFFAOYSA-N	316.364	3.801	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1C	191756839	DSIVOMAAAPRZLM-MDWZMJQESA-N	317.332	3.703	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1Cl	264496460	WQMAEKDUUDSCOC-ZDIKFAODSA-N	307.777	3.879	50	20	DHGD	
CC(C)(C)Oc1cc(F)ccc1NC(=O)NNc1ccncc1	275613267	JLCYIDSNFDUCQI-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2nc(C(C)C)c(C)s2)c1	279573410	WAZPDOWKTVHQAY-UHFFFAOYSA-N	321.421	3.708	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C)CC#N)c1C	733712096	WECLYENSCHCADO-MPMPPSQCSA-N	313.401	3.657	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc2c1OC(C)(C)C2	737444398	RAMFCTXPYRQPHA-WJDWOHSUSA-N	312.413	3.613	50	20	DHGD	
CC(C)=CCSc1ccccc1C(=O)NNC(=O)CC(C)C	741208769	ITVMCSVEEIFWMX-UHFFFAOYSA-N	320.458	3.552	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccccc2C)C12CCCCC2	741456912	TYXTYESLWPABKA-QGZVFWFLSA-N	314.429	3.840	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1	741467866	RBDQJLMZAWVOQA-OQLLNIDSSA-N	314.410	3.849	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc(O)c(Cl)c3)nc12	741468520	HSTFAFVAQYIQEG-IZZDOVSWSA-N	310.744	3.690	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)C2CC2)c1C	741612050	ZAEYLQWERPLHFO-LFIBNONCSA-N	313.445	3.727	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(Oc3ccccc3)o2)cc1	748849846	XSRZJHXXJKPQFP-UHFFFAOYSA-N	324.336	3.837	50	20	DHGD	
Cc1cccc2c1CC[C@@H]2NC(=O)/C(C#N)=C\c1ccc(F)cc1	752030254	PQAFOKMVNCITBO-HVEPWOEZSA-N	320.367	3.845	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1c(F)cccc1Cl	753016607	JVTOBCTWFQAYSQ-JTQLQIEISA-N	307.756	3.866	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2ccc(C#N)c(Cl)c2)C1	753316949	HWTKYZSUQNDODD-RYUDHWBXSA-N	305.809	3.871	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2cc(Cl)ccc2Cl)c1	753699958	BQBGATVIBANXKS-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
C[C@@]1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCOC1	753995565	PZYGQTXMUJSMNW-GFCCVEGCSA-N	323.607	3.517	50	20	DHGD	
CC(C)(C)CC=NNC(=O)c1ccc(Br)s1	755571400	AEHNOWHDEHKLNJ-UHFFFAOYSA-N	303.225	3.662	50	20	DHGD	
CN(NC(=O)c1cnc(Cc2ccccc2)s1)c1ccccc1	755683365	NVSQLSDLITXDRN-UHFFFAOYSA-N	323.421	3.515	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)Cc1ccc(Cl)cc1	767367297	JRFCLMAIPJJJLI-UHFFFAOYSA-N	321.207	3.995	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)C(=O)C2CCCCC2)c1	767712728	FJNSHVSHPSXEGL-SFQUDFHCSA-N	313.397	3.768	50	20	DHGD	
CCC[C@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	768448337	HHFORDKNMBREDK-RYUDHWBXSA-N	304.272	3.977	50	20	DHGD	
Cc1cccc(NC(=O)NNc2nccnc2C(C)C)c1Cl	770543918	HLMMOLAPAJSVIL-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1F	771519384	CYRKDPDMAJIKBO-NTEUORMPSA-N	323.323	3.695	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	772009906	NTCOWPBSVWFHSY-LLVKDONJSA-N	300.324	3.975	50	20	DHGD	
COc1cc(C=NNC(=O)c2ccc(Cl)cc2F)ccc1C	773058207	LDQFSNDFLBIRBW-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC[C@H](COc2ccccc2)C1	780366612	UDSPUTCVYVFBJT-PBGVMVHZSA-N	304.393	3.952	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1sccc1Cl	782230499	KNJKICAJOWZDOU-UHFFFAOYSA-N	317.801	3.507	50	20	DHGD	
CSSCCNC(=O)N1CCC(c2ccccc2C)CC1	790874379	BIMXNUVYGLTJRE-UHFFFAOYSA-N	324.515	3.895	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCc1ccc(O)cc1	794953340	NEOCNEGZSQYXMD-UHFFFAOYSA-N	312.413	3.900	50	20	DHGD	
O=C(NNc1ccccc1F)c1ncccc1Oc1ccccc1	799704745	IIKRFMFWIJQHOM-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CNc1ccccc1Cl	799754543	LJCTZGPDTNBRQW-UHFFFAOYSA-N	317.820	3.766	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CC[C@H]3CC)n[nH]2)cc1	807976688	SWIHIVFCIHLVNQ-CYBMUJFWSA-N	310.401	3.545	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(C)nn(C)c2Cl)cc1C	809146014	KNBYGHLRQDEAMZ-ZSOIEALJSA-N	313.788	3.789	50	20	DHGD	
CC[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CCCO1	811500942	ORLUJJHMNGVVDB-MRXNPFEDSA-N	311.853	3.695	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC1CCSCC1	813052264	UVAQDCZADQRJIC-UHFFFAOYSA-N	307.463	3.640	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc(F)ccc1Cl	814509792	FKDLHZDLJHLLLH-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCCc2sccc21	814747440	PWPFRKWGICQXET-UHFFFAOYSA-N	323.421	3.629	50	20	DHGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	815850201	BQAODFRAWQXCST-KOLCDFICSA-N	317.216	3.642	50	20	DHGD	
C[C@@H]1CC[C@@H](C)C(=NNC(=O)c2cccc(OC(F)F)c2)C1	834954543	ZIXTVBFKQYIIAE-GHMZBOCLSA-N	310.344	3.830	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CC23CCSCC3)c(Cl)c1	836935801	UTKNAOOLBYBNDC-NSHDSACASA-N	310.850	3.625	50	20	DHGD	
CS[C@H]1CC[C@H](NC(=O)NNc2c(C)cccc2Cl)C1	838495337	OTDZFLAZBVFMOC-QWRGUYRKSA-N	313.854	3.559	50	20	DHGD	
CCOc1ccc(C[C@@H](C)C(=O)NNc2ccc(F)cc2)cc1	839489047	XMHBGLJXTWBIIX-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(F)c(F)c1	851892818	OBZSIXLLSLBQLJ-ZEGGKSINSA-N	304.178	3.789	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)c1	853302746	GSPYDUKCSYHVJS-JSGCOSHPSA-N	323.318	3.643	50	20	DHGD	
CCCO[C@H]1CCCN(C[C@@H](CBr)C2CC2)CC1	859135606	XJQIVLCSZUOUGH-CABCVRRESA-N	318.299	3.689	50	20	DHGD	
BrC[C@@H](CN1CCC(c2ccncc2)CC1)C1CC1	859278875	VYYCRQGKKLZRMW-INIZCTEOSA-N	323.278	3.682	50	20	DHGD	
CCSCc1ccc(NC(=O)NNc2cccc(C)n2)cc1	861169449	VKAZEQLANTUJKN-UHFFFAOYSA-N	316.430	3.792	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(F)c(Cl)c1	863082677	QKVSSSOGSNZGND-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)cc1C	871599160	KZIDDOBCSPMONU-FDIDWWNZSA-N	313.397	3.687	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc3c(s2)CCCCC3)o1	916369444	FVTRCCABJHOXHN-UHFFFAOYSA-N	302.399	3.682	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1ccccn1	916370179	XTFNVNQBQNMHRD-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cncc2ccccc12	917636955	VWDRHCNUVVYPDZ-UHFFFAOYSA-N	322.320	3.979	50	20	DHGD	
CC(C)c1ccc(CNC(=O)NNc2cccc(C#N)c2)cc1	919923557	VBJYSSGOZDYTFD-UHFFFAOYSA-N	308.385	3.508	50	20	DHGD	
CCc1cc(C(=O)NNc2cc(C)cc(C)c2)cc(Cl)n1	935021437	ASMOTEJEKQTUTA-UHFFFAOYSA-N	303.793	3.671	50	20	DHGD	
CC(C)(C)Cc1ccccc1C(=O)NNc1ccnc(F)c1	935308500	WILOMSNIJFVUSE-UHFFFAOYSA-N	301.365	3.566	50	20	DHGD	
C=CCC(=NNC(=O)c1ccc(OC)cc1)c1ccc(F)cc1	1116089889	BFESPUJIUVRWPN-UHFFFAOYSA-N	312.344	3.545	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2)cc1	5069769	UMCNJOQVIRHMSE-GZTJUZNOSA-N	301.349	3.666	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(C)c(C)s2)cc1OC	32185461	UYCDFYRUFAOZTN-NTUHNPAUSA-N	300.383	3.841	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)c1ccc2c(c1)OCO2	44028732	RRNGTXJMYKBYGB-BJMVGYQFSA-N	317.753	3.920	50	20	DHGD	
Clc1ccc([C@H](CBr)O[C@H]2CCOC2)cc1	82454949	ZBPWKOPZYFQBHG-RYUDHWBXSA-N	305.599	3.582	50	20	DHGD	
O=C(COc1ccc(Cl)cc1Cl)NNc1ccccc1	120478570	GZORYIWOCHYMPA-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
CC[C@H](Cl)c1nc2sc3c(c2c(=O)[nH]1)CCCS3	122063536	RPMKTWPVMWYFGO-ZETCQYMHSA-N	300.836	3.713	50	20	DHGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)NCc1ccccc1	132443355	JRFQSKDMKHXJFJ-GDNBJRDFSA-N	320.323	3.795	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1ccccc1	171044540	MNRODOOCKQZDJX-IZZDOVSWSA-N	302.255	3.650	50	20	DHGD	
CC(C)Oc1cc(Br)cc(NC=C(C#N)C#N)c1	178531492	FQRNFEVKKSAGAM-UHFFFAOYSA-N	306.163	3.579	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1scnc1C1CCCC1	184015156	ZJONXJWKIYTTJW-UHFFFAOYSA-N	305.378	3.697	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2c(C)cccc2F)cc1	184298840	OKOMOMUQNNURSQ-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
Cc1nc([C@H](C)OC(=O)CCCC[C@@H]2CCSS2)no1	191683878	WLNOIAPBPGDZIK-GXSJLCMTSA-N	316.448	3.696	50	20	DHGD	
Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC=C(C#N)CC1	272720399	ZHPPCEDRAOWTMQ-OAHLLOKOSA-N	311.429	3.601	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@H](O)C2)cc1	283996303	GLGQRIWTLUIKCG-QGZVFWFLSA-N	321.537	3.775	50	20	DHGD	
CCOC1CC2(CCN(/C(=C/C#N)c3ccc(F)cc3)C2)C1	285651258	ZZKHHNPJOPQHPB-REZTVBANSA-N	300.377	3.581	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(C3CCCC3)cc2)nc(C)n1	290419725	GZFKAAAXEIHUNU-UHFFFAOYSA-N	310.401	3.508	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC2(CCC2)[C@@H]1C1CC1	366357636	IOWJXOPHPITNMJ-NEPJUHHUSA-N	314.267	3.587	50	20	DHGD	
C#CCCOC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	727042953	WQELELHXLBGWSL-PDGQHHTCSA-N	312.413	3.625	50	20	DHGD	
O=C(NN=Cc1cccc(F)c1)c1c(Cl)cccc1Cl	727781373	LDDWVVHWOANMJL-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CC(C)c1cccc(OCC(=O)NNc2ccc(F)cc2F)c1	729280464	GKAXMKOHXLXBSB-UHFFFAOYSA-N	320.339	3.610	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)c1cccc(OC(F)F)c1	729638968	OLJRMZZGAYMUMA-UHFFFAOYSA-N	324.352	3.698	50	20	DHGD	
Cc1nc(CC(=O)NN=C(C(C)C)C2CCCCC2)cs1	733906779	GQFOJQNMLOPNMJ-UHFFFAOYSA-N	307.463	3.703	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1c(C)cc(C)cc1C	743762287	OVOODFQJIOENTM-QGZVFWFLSA-N	311.429	3.946	50	20	DHGD	
CCCC(=NNC(=O)Cc1ccncc1)c1ccc(Cl)cc1	747645762	IHURGOLLEYNHQE-UHFFFAOYSA-N	315.804	3.598	50	20	DHGD	
Cc1cc(C)cc(OCCC(=O)NNc2ccccc2Cl)c1	748302329	LCYRZNAANWYMJQ-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)COc1cccc(Cl)c1C	748570977	RBTKESXGVHQPTK-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccnc1C1CC1	752633803	ASHTUDQZUSENOH-UHFFFAOYSA-N	307.397	3.595	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C[C@H]1C=CCC1	753172632	DDBXKMOYXRGSPC-NSHDSACASA-N	323.234	3.811	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc[nH]1	760874090	UZRJWYUECDUQCR-MRVPVSSYSA-N	313.188	3.709	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1O	762692481	HPPAKNVQZUOOCZ-ZSOIEALJSA-N	310.328	3.694	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCCC[C@H]3C)n[nH]2)c1	764789358	HMBRLFWHFLPEKG-CQSZACIVSA-N	324.428	3.989	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)CCc1ccccc1O	764910845	COBMZCDGUQMUKN-UHFFFAOYSA-N	316.426	3.511	50	20	DHGD	
Cc1cc(C=NNC(=O)Nc2ccc(OC(F)F)cc2)c(C)o1	767900584	IFQOFBUZHWVVGG-UHFFFAOYSA-N	323.299	3.653	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(F)cc1Cl	770308516	QADVDBNBUHTDKE-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H]1CCCc2ccccc21	770334949	BMSLARNUNJVMQG-FZMZJTMJSA-N	311.219	3.681	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1	771514678	ULCXDFHMALARII-FOWTUZBSSA-N	319.360	3.810	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)[C@H](C)CC	779869584	JZMYKMSFKJPOOR-DGCLKSJQSA-N	321.490	3.557	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)cc1C	786049087	FKCAZSQNORWQGZ-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
Cc1ccc(-c2nnc([C@H](C)OC(=O)/C(C#N)=C/C3CC3)o2)cc1	786677203	XWWKLNXNJDGYBQ-DGGAMASNSA-N	323.352	3.509	50	20	DHGD	
N#C/C(=C1/COc2ccc(F)cc21)c1cnc2ccccc2n1	790227056	DIBVFGUXQZLSAX-BUHFOSPRSA-N	303.296	3.596	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@H]1C	790897673	YVSVJVCYMRVGQX-UKRRQHHQSA-N	324.515	3.894	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1ccc2c(c1)CCCC2	791007153	CFUZYRKBGBDXDP-AWEZNQCLSA-N	324.428	3.656	50	20	DHGD	
C=C(CBr)CN[C@H](c1ccc(OC)cc1)C(C)C	791489373	FVCNFVKZKIAJBI-HNNXBMFYSA-N	312.251	3.933	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)cn1	791734545	UDRWVZLIXVVLCY-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cccc(CC(F)(F)F)c1	792317695	NSPJVCNANJRNGR-UHFFFAOYSA-N	324.306	3.643	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(C(F)(F)F)cn1	793850783	JAMAIPGRSRAOJS-ZDUSSCGKSA-N	303.328	3.760	50	20	DHGD	
CCSc1ccc(C(C)=NNC(=O)c2cccc(C)n2)cc1	794564722	OTMGSTGBMJOHOF-UHFFFAOYSA-N	313.426	3.656	50	20	DHGD	
O=C(NC[C@H]1CCCC(F)(F)C1)NNc1ccccc1Cl	800718333	GRMZHYUPKMUSBX-JTQLQIEISA-N	317.767	3.792	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H](C)CC(C)(C)C	805372406	BFYIBGYDTKLNRG-LLVKDONJSA-N	307.394	3.809	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@H]1CCCCO1	812769281	ZPARLGYRTYZJNO-OAHLLOKOSA-N	304.434	3.911	50	20	DHGD	
CC(C)(C)[C@H]1CC(=NNC(=O)c2c[nH]c3ccccc23)CS1	814699123	IRFSHBBWJCAPKU-OAHLLOKOSA-N	315.442	3.805	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC[C@H](c3ccccc3)C2)cc1	814712208	NAIQUUHUPMYNGH-KRWDZBQOSA-N	321.424	3.847	50	20	DHGD	
Cc1csc(C(=O)NNc2cccc(Cl)n2)c1Cl	817007590	IMSGTIYYOCUFLJ-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CCn1nnc(C)c1/C=C(/C#N)C(=O)c1ccc(C(C)(C)C)cc1	834408545	LYUJNCZCNZKQCK-PTNGSMBKSA-N	322.412	3.694	50	20	DHGD	
Cn1c(Cl)cnc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	834441231	CYMVAZHDRCUCGB-UITAMQMPSA-N	306.822	3.892	50	20	DHGD	
C#Cc1cccc(CNC(=O)CCCC[C@H]2CCSS2)c1	837103772	LSRNMTUVURFASY-INIZCTEOSA-N	319.495	3.998	50	20	DHGD	
Cn1c(SCCO[Si](C)(C)C(C)(C)C)nnc1C(F)F	840203855	FCFPMHBTICJHHD-UHFFFAOYSA-N	323.485	3.867	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(CSC(F)F)o1	840735550	QRKUUUSOMOTXHP-YVMONPNESA-N	303.305	3.960	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cc(F)ccc1C)c1ccccn1	855369883	DSFZWKNIRHUAKV-CQSZACIVSA-N	301.365	3.556	50	20	DHGD	
Cc1ccc(NNC(=O)C2(Cc3ccccc3F)CC2)cc1F	856227851	MBTYBUHPLOCPMQ-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
C[C@@]1(CNC(=O)c2sccc2C2CC2)C[C@H]1Br	857399069	BFAZFFFFARXWFQ-MFKMUULPSA-N	314.248	3.529	50	20	DHGD	
CC1(C)CCC(C)(C)N(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	862588042	XWUSDPAHKHLRPE-RVDMUPIBSA-N	312.413	3.726	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)(C)C)c(C)n1CCC(C)C	877163028	NFTAFFOQCUHRDY-BOPFTXTBSA-N	315.461	3.973	50	20	DHGD	
O=C(NCC(Cl)Cl)c1c(Cl)cccc1C(F)(F)F	908187515	QLWLSXDMUBNBGH-UHFFFAOYSA-N	320.525	3.892	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1OCC	915853901	VRUGAWOWDHQTGG-XNTDXEJSSA-N	317.385	3.733	50	20	DHGD	
O=C(NN=CC1CCCCC1)c1ccc(Br)s1	916356643	HAINAYBYCKEUFG-UHFFFAOYSA-N	315.236	3.807	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2F)o1)c1ccccc1	917032129	GTWGMOUCMQNJJE-UHFFFAOYSA-N	308.312	3.850	50	20	DHGD	
CN(C[C@H]1OCCc2ccccc21)C(=O)C1CCC(Cl)CC1	1263794342	SXISRJIOYVFXOT-VMBOVVBDSA-N	321.848	3.556	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1F)c1nc(N)c2ccccc2n1	1322565561	IAMZMFPLYDWWSW-FLIBITNWSA-N	308.291	3.554	50	20	DHGD	
CC[C@](C)(NC(=O)C1CCC(Cl)CC1)c1nc(C)cs1	1351369621	YCCCAJWTERLDQL-QOZQQMKHSA-N	314.882	3.991	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1cccc(C(=O)O)c1C	1594958494	CBSJLSHZGOULOE-GFCCVEGCSA-N	306.406	3.743	50	20	DHGD	
Cc1csc(CNC(=O)CCCC[C@@H]2CCSS2)n1	42038110	DSSUHYILLOVSFM-LLVKDONJSA-N	316.517	3.782	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1cccnc1	72785286	FIHPGPPYBBGYSW-TZMCWYRMSA-N	310.488	3.973	50	20	DHGD	
Cc1cccc(NNC(=O)c2sccc2Br)c1	78934236	WXPTXNNMNMRYMC-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)C12CC3CC(CC(C3)C1)C2	115720104	GBLZTXCMIWETRF-UHFFFAOYSA-N	324.346	3.763	50	20	DHGD	
CCO[C@H](C(=O)NNc1cccc2c1CCCC2)c1ccccc1	120118780	OWGBYKPOALMENW-IBGZPJMESA-N	324.424	3.786	50	20	DHGD	
CN(C)c1ccc(Cl)cc1NC(=O)NNc1ccccc1	120612411	KOBIYKLWYRVNHQ-UHFFFAOYSA-N	304.781	3.555	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NNc1ccnc2ccccc12	124210139	RJDQBVDDCRUFEG-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2cc(C)ccc2F)c1	130308401	YUDPXQPJMIHCJB-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CC(C)c1ccc(N(C)S(=O)(=O)CCCCCl)cc1	154725238	XRNCENBUYHDXJO-UHFFFAOYSA-N	303.855	3.595	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(Cl)c3cccnc23)cc1	155355400	FQAUMIUZMUJSAQ-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
I[C@H]1CCCCCC[C@H]1OCC1CC1	158085141	ZBHRIBVGHPUBCJ-NWDGAFQWSA-N	308.203	3.939	50	20	DHGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1ccc(F)cc1	173820664	LEJWUWXQZFZEAZ-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(C#N)cc1)c1ccccc1	188570518	MHSFRTIRVCYHDS-XLXASQRYSA-N	315.376	3.733	50	20	DHGD	
O=C(/C=C/c1ccc(O)cc1)NNc1cccc(C(F)(F)F)c1	192839424	SQOTYKOLGTVDTB-RMKNXTFCSA-N	322.286	3.568	50	20	DHGD	
Cc1cccc([C@@H](C)CNC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	194683732	HCQYGXXBLFXRNC-GZQZNAIASA-N	320.392	3.528	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc(Br)c2)s1	252460306	DHGAPYBAGVHDQN-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC=C(c2ccco2)C1	376029363	MRDSKHSBAKLKSG-LFIBNONCSA-N	322.339	3.642	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cccc(F)c1F	730728478	XXHXERZZDYTXFY-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
C[C@@H]1CCC[C@@H](CNC(=O)NNc2cc(F)c(F)cc2F)C1	734665562	ZPYGZLISKQTSMX-NXEZZACHSA-N	315.339	3.556	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1oc(C(C)C)nc1C#N	735272243	ZNGIQRUWBYCWAS-LBPRGKRZSA-N	306.410	3.719	50	20	DHGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNc1c(F)cccc1F	735760054	JYMKWIJNLBBZPX-OAHLLOKOSA-N	317.339	3.587	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)COCc2ccccc2)cc1	737437054	OWVPUIHFOSZKGH-UHFFFAOYSA-N	324.424	3.651	50	20	DHGD	
O=C(NN=CC1CCCC1)c1ccc(COc2ccccc2)o1	741837461	KAEUHENLSDZSPA-UHFFFAOYSA-N	312.369	3.764	50	20	DHGD	
CCC(=NNC(=O)N(C)C)c1ccc(Oc2ccccc2)cc1	745602283	GVWRUGZLDYSHNN-UHFFFAOYSA-N	311.385	3.864	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)Cc1c[nH]c2ccccc12	745806409	IPKJZYMMAUDMQE-UHFFFAOYSA-N	319.408	3.835	50	20	DHGD	
CC(C)(C(=O)NNc1cccc2c1CCCC2)c1ccccc1	748573628	HDSRKLBCWKEIBZ-UHFFFAOYSA-N	308.425	3.986	50	20	DHGD	
Cc1cccc(C2(C(=O)N3CC=C(C#N)CC3)CCCCC2)c1	760004183	WHUKEJVMDYQBPF-UHFFFAOYSA-N	308.425	3.879	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	764638841	BFGAOPDVSDSQIG-AWEZNQCLSA-N	303.362	3.527	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=C1CCC(C(F)(F)F)CC1	766015035	IRXPKXCRPRMSKZ-UHFFFAOYSA-N	316.298	3.593	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccnc(Cl)c1	766747298	XBLUGMZBRZNANE-JTQLQIEISA-N	320.614	3.588	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cccc(-c2cccnc2)c1	768482043	HDTNJULTDZIARQ-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
Cc1nc(C2CCCCC2)sc1C(=O)N1CC=C(C#N)CC1	780686812	OSIAGFZGBDNBOF-UHFFFAOYSA-N	315.442	3.795	50	20	DHGD	
Cc1ccc(CCNC(=O)NNc2ccc(C(C)(C)C)cc2)o1	780819414	URTMWFMQNUJDKT-UHFFFAOYSA-N	315.417	3.754	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1cccc2c1CCCC2	785612583	OYULVIIDWGJFDX-UHFFFAOYSA-N	308.425	3.814	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCC(F)(F)C1	795193147	GGXIXEHIFBZBRI-MRVPVSSYSA-N	308.250	3.584	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@@H](F)CC1CCCCC1	796206710	ROOKGGNWSQFTAK-JQWIXIFHSA-N	309.219	3.869	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802015633	USQMPGLZRUFUOG-JTQLQIEISA-N	311.813	3.565	50	20	DHGD	
CCc1ccccc1OCCC(=O)NNc1cc(C)ccc1F	802831222	MFHNXPMJVFTGTF-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
COC[C@H](NCc1ccc(OCCCCl)cc1)c1ccco1	811483933	RTITWZFOSLJMHH-INIZCTEOSA-N	323.820	3.765	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1	815005386	YLTBDRPWTZSVHA-UHFFFAOYSA-N	317.776	3.981	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1nn(C)c(C)c1Cl	817606397	JXEPHWFQYQKOMG-UHFFFAOYSA-N	320.824	3.571	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCC[C@@H]1c1ccccc1	832804878	XXDPEVQCQJMRQI-KGLIPLIRSA-N	315.804	3.762	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C2(c3ccccc3)CC(=O)C2)cc1	837053143	LJDQQQCUNLXDLT-UHFFFAOYSA-N	322.408	3.554	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCCc1cscn1	837373371	WEWKNIATUXACOI-GFCCVEGCSA-N	317.501	3.943	50	20	DHGD	
CC(C)OCCCCNC(=O)NNc1ccc(C(C)C)cc1	838545699	UARRZUXXTGNJAO-UHFFFAOYSA-N	307.438	3.641	50	20	DHGD	
CC(C)CC(=NNC(=O)CC(F)(F)F)c1ccc(F)cc1	844577120	HGVXNJRYXMSSCL-UHFFFAOYSA-N	304.287	3.645	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)N(C)CC(Cl)Cl	848082683	RSJLVEFIYORNML-VIFPVBQESA-N	308.636	3.781	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1cccnc1C1CC1	859632747	QJCSEPBWHDOTFE-GFCCVEGCSA-N	324.218	3.537	50	20	DHGD	
Cc1cccc2cc(C=NNC(=O)C(C)(C)C)c(Cl)nc12	915966405	HWMKYUNPJLYYOM-UHFFFAOYSA-N	303.793	3.693	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1Cl)c1ccccc1F	916290910	BTULPVSHXNXLHZ-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
Cc1ccc(NNC(=O)COC2CCC(C)CC2)cc1Cl	1322454467	BPDCTPWCLRSYMC-UHFFFAOYSA-N	310.825	3.687	50	20	DHGD	
BrC[C@@H](CN1CCSC2(CCC2)CC1)C1CC1	1331586846	BVIGGAVUKREFDQ-ZDUSSCGKSA-N	318.324	3.769	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(-c2ccc(C(=O)O)cc2)cc1	1776026343	RLHKAAHNZPNHJV-UHFFFAOYSA-N	324.380	3.548	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)c(O)c2)cc1	3570435	CSJKNGWXPADFIV-XNTDXEJSSA-N	322.364	3.509	50	20	DHGD	
CN(CCc1ccccn1)C(=O)CCCC[C@H]1CCSS1	42034399	UMBSYNITAWJAAX-HNNXBMFYSA-N	324.515	3.797	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)cc1)c1ccc(Cl)cc1	56422201	OOCSIMDSXMQURG-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
Cc1cc(OC(F)F)c(C(=O)NNc2ccc(F)cc2)s1	74691577	GVKVNZNIUHOGOV-UHFFFAOYSA-N	316.304	3.554	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1csc(-c2ccccc2)n1	154321582	BABNBGGQHAPESV-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc3ccccc3n2)cc1	181152571	IRCQWNHYNZZNQE-UHFFFAOYSA-N	320.396	3.684	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cc(F)c(F)cc1F	184307922	YPWLOCKOBXYLTN-UHFFFAOYSA-N	313.254	3.700	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/C=C\c2ccccc2)c1	212795428	QLEWNTOQFRRQAH-FRVHHEIKSA-N	304.349	3.797	50	20	DHGD	
CC(C)[C@@H](C(=O)N1CC=C(C#N)CC1)c1cccc(Cl)c1	272487035	ALKYOWVPRLBUIM-MRXNPFEDSA-N	302.805	3.762	50	20	DHGD	
CC(C)n1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)n1	272838397	QCDBSHOINXBBHT-UHFFFAOYSA-N	300.406	3.518	50	20	DHGD	
C=C(CBr)CN1CCC(Nc2cccc(C)c2)CC1	279755970	QVXCQYAJNGLUSL-UHFFFAOYSA-N	323.278	3.822	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1c1cccs1	284140763	ILTPIHFXGYFZLT-JTQLQIEISA-N	302.490	3.606	50	20	DHGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)NC2CCCCC2)CC(C)(C)C1	727364339	SNNUXPAJCHWHRS-KBPBESRZSA-N	323.481	3.502	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(C)c(C)c2O)cc1	728156393	HLMWIWRTDBOJGD-UHFFFAOYSA-N	310.397	3.725	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(SC(C)C)cc1	728425692	LLQHRIYXDNTZSW-UHFFFAOYSA-N	301.415	3.669	50	20	DHGD	
CCCCC[C@H](NC(=O)NNC(=O)C1CCCC1)C(C)(C)C	734677005	GWCIQXIUYSKLKA-AWEZNQCLSA-N	311.470	3.502	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC2CCC2)c1C	744199781	UZMTYWIQJJLONJ-LICLKQGHSA-N	300.402	3.765	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1ccc(Cl)c(F)c1	746695804	QZURRVZAAMFPRT-UHFFFAOYSA-N	306.768	3.945	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(c2ccc(F)cc2)CCC1	749535691	BCKRMEGZKVTCIU-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
Cn1ccc2c(NC(=O)/C(C#N)=C/c3ccc(F)cc3)cccc21	751912487	UFXBIDMTWAAXTR-SDNWHVSQSA-N	319.339	3.863	50	20	DHGD	
CC(C)OCCCC(=O)NNc1cc(Cl)ccc1Cl	752631672	FMPLDNHBRAHZCJ-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@H]2C[C@@H]2c2ccccc2)c1	755507217	QZDVRCYEZGDNQZ-IEBWSBKVSA-N	322.408	3.588	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCCC(C)C)cc1OC	764653514	FXUPVGDKDQTRSY-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
CC[C@H]1CCCC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764809719	KIOWCHWWTFVMDQ-NSHDSACASA-N	314.364	3.512	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cncc2ccccc12	768319145	GTGBYNVOLSYCLF-ZDUSSCGKSA-N	321.218	3.983	50	20	DHGD	
CCc1ccccc1NC(=O)NNc1ccc2ccccc2n1	775450582	SUWBZCBKJTZHSO-UHFFFAOYSA-N	306.369	3.946	50	20	DHGD	
C=CC[C@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	779381523	UJCSBHRPNSJMAV-AWEZNQCLSA-N	301.777	3.538	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1cc(-c2ccco2)on1	785349405	AKDKMWYMQVBYEB-NTEUORMPSA-N	320.304	3.585	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCC(=O)CCC1CCCC1	785364853	JWOGSRXNBODOJB-ATVHPVEESA-N	311.381	3.676	50	20	DHGD	
C=C(CBr)CN1C[C@@H](C(F)(F)F)CC[C@@H]1C	791485917	DMMGHIJAGJLRMW-UWVGGRQHSA-N	300.162	3.600	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1cnnc2ccccc12	792328315	VQYVWZWRRUPMBL-UHFFFAOYSA-N	320.396	3.585	50	20	DHGD	
CN(c1ccccc1)c1ccc(/C=C(\C#N)c2ccncn2)cn1	797789034	JAOTWYIFFKUTOY-LFIBNONCSA-N	313.364	3.704	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCCCCSC	799626482	ZVXRALZBRIBAQE-UHFFFAOYSA-N	309.479	3.717	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NNC(=O)OC(C)(C)C)c2c1	804145585	BDMZZGUFLWDOFC-UHFFFAOYSA-N	318.373	3.726	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccccc1OC1CC1	806373620	DRXULJJPDLMPBG-UHFFFAOYSA-N	302.761	3.638	50	20	DHGD	
Cc1c(C(=O)NCC(Cl)Cl)oc2ccc(Cl)cc12	808129435	TWUJXVASJBMDDR-UHFFFAOYSA-N	306.576	3.928	50	20	DHGD	
C[C@@H](CN1CCCCC1)NCc1ccc(OCCCCl)cc1	811473738	KONFMQOAAOTBLA-INIZCTEOSA-N	324.896	3.658	50	20	DHGD	
CCC1(C(=O)NNc2c(C)cccc2C(C)C)CCOCC1	812761938	HQTFLZBJZAIDLG-UHFFFAOYSA-N	304.434	3.768	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)ccc1Cl	830095577	AMYDCZOKLZSBFR-IUODEOHRSA-N	310.825	3.543	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)c(Cl)c1	836937896	QHZOCYPUVRJYPV-VXGBXAGGSA-N	322.836	3.733	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@H]1CCCCC1(F)F	837679173	QLNCWNLDBUUKQZ-BAAYTWLHSA-N	305.324	3.962	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(C)cc1Cl)c1ccncc1	838491809	UXFLLVJNAIDMNU-CQSZACIVSA-N	318.808	3.821	50	20	DHGD	
CCC1(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCCCC1	842250587	VCFOFWRLWAQJSL-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CC(C)[C@@H](O)CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844344865	KODNPJXMSHBIJM-INIZCTEOSA-N	315.574	3.737	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@H]1C1CCC1	846627528	BTAZNSSLCSAFAE-UONOGXRCSA-N	315.804	3.768	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)n1)C1CCC(F)(F)CC1	853411184	GZFPULUGRIYVIG-UHFFFAOYSA-N	315.751	3.666	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(c2ncccn2)CC1	853896819	LTQCJBXVWXYNQK-UHFFFAOYSA-N	307.514	3.715	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	855367050	ORSQTWCUDPNQEZ-LGBHXNNWSA-N	320.383	3.886	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863180519	PMIMNWYRCYQQFT-BJMVGYQFSA-N	302.321	3.590	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)CCCF)C1	891549344	JUEDPDOTUAUKBK-ZDUSSCGKSA-N	303.494	3.749	50	20	DHGD	
N#CCSc1ccccc1C(=O)NNc1ccccc1Cl	912646798	ULUPRUZWONQPDE-UHFFFAOYSA-N	317.801	3.713	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	916223730	PFHUVYHQFZHSGX-WOSRLPQWSA-N	305.397	3.811	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C/C=C/c1ccco1	920366638	UAAKYKSPNVGDBL-INEDBMDISA-N	318.373	3.716	50	20	DHGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2ccc(Cl)c(C)c2)n1	928342470	XSVDSFQKPZGZLY-CYBMUJFWSA-N	320.824	3.556	50	20	DHGD	
CCc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)s1	1318337767	BRKFQFKZFIIYTI-PKNBQFBNSA-N	306.394	3.900	50	20	DHGD	
O=C(N[C@@H](c1ccccc1)[C@H]1CCOC1)C1CCC(Cl)CC1	1548679823	IYCKXVHHXXLYRA-XGHPGWEVSA-N	321.848	3.678	50	20	DHGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1ccnc2ccccc12	88362942	FZBAKSHDMFDYQD-CQSZACIVSA-N	315.417	3.519	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(C(F)(F)F)cn1)C(C)C	131884433	RRFWMHNSLKRACP-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cccc(-n2cccc2)c1	132300230	ZCHFJXKKWVXTIF-UHFFFAOYSA-N	311.772	3.888	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)c(C)n1	179903953	IZSGUJMTPKSWAS-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)c1cccc2c1OCCO2	182061320	AWYQGDQHJODFAI-NTEUORMPSA-N	323.323	3.695	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(F)c(F)c(F)c2F)c1	193252669	NCGQJAHIYRWRIW-UHFFFAOYSA-N	312.266	3.617	50	20	DHGD	
CCO[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	194322096	ABOPJHRSNNYCEW-OAHLLOKOSA-N	304.777	3.561	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1	194537817	KYRQSTOMVCEGPR-NVNXTCNLSA-N	323.298	3.767	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	212691516	PFZWOKHOCYEEHC-GDNBJRDFSA-N	308.312	3.574	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3cccnc3C)c[nH]c2c1	254977961	ZQMYAALYKBVMCQ-OQLLNIDSSA-N	301.349	3.970	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cccc([N+](=O)[O-])c2)ccc1[N+](=O)[O-]	255492037	MMRCCDIDYMXGTI-ZSOIEALJSA-N	309.281	3.876	50	20	DHGD	
CCCCCCOc1ccc(C(=O)N2CC=C(C#N)CC2)cc1	272711711	XUKBGNRVCMOYQD-UHFFFAOYSA-N	312.413	3.942	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	276244318	COJWRYUCXLJFIB-YRNVUSSQSA-N	321.295	3.534	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC2(CCOCC2)CC1	375398212	UURHYXWEEGTAEC-ZWSORDCHSA-N	300.377	3.583	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	588559627	UOWFUXFZIHGDIQ-BKLZJWBFSA-N	305.761	3.950	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)c1cc(C)nc2ccccc12	729632574	CRNLJKKTOSNWNA-UHFFFAOYSA-N	323.421	3.953	50	20	DHGD	
Cc1cc(C=NNC(=O)C(C)(C)C)ccc1Oc1cccnc1	732712424	HAKMZDMKRACDOI-UHFFFAOYSA-N	311.385	3.679	50	20	DHGD	
CC(C)CC[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734652658	PINLRNRKJWDSSP-SECBINFHSA-N	303.328	3.555	50	20	DHGD	
CCCCCCCC(=O)NNc1ncccc1C(F)(F)F	740088104	VVIJTJYUTDTMAU-UHFFFAOYSA-N	303.328	3.904	50	20	DHGD	
O=C(NN=Cc1cccnc1)Nc1ccc(-c2ccccc2)cc1	741766175	RIVIHUFRLVPCEM-UHFFFAOYSA-N	316.364	3.904	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1ccc(Cl)s1	747051502	PLBZQABUVPRVNM-UHFFFAOYSA-N	322.817	3.711	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1CCSc2ccccc21	748056307	RKGJPOSFSWGRHJ-GFCCVEGCSA-N	302.374	3.548	50	20	DHGD	
Cc1c(NNC(=O)C[C@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-]	748674067	XUPDTPUFYLBECK-WCQYABFASA-N	305.378	3.563	50	20	DHGD	
CC(C)CSCCCOC(=O)/C(C#N)=C/c1ccc(O)cc1	751737229	GLHTUAYHXIVKKX-XNTDXEJSSA-N	319.426	3.622	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccc(C)o2)cc1F	752172460	KDDKFVPBONXORZ-UHFFFAOYSA-N	306.362	3.603	50	20	DHGD	
Cc1ccc(C=NNC(=O)CC2CCCC2)c(Br)c1	753696560	HOXFFNXOCITBNM-UHFFFAOYSA-N	323.234	3.788	50	20	DHGD	
CC(C)(C=NNC(=O)Nc1ccc(OC(F)F)cc1)CCC#N	755747029	YUDRUYULHPENGV-UHFFFAOYSA-N	324.331	3.725	50	20	DHGD	
N#Cc1cnc(NC(=O)CCCC[C@H]2CCSS2)s1	759628389	ZUINVBHCHPOBFB-VIFPVBQESA-N	313.473	3.667	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)C(F)(F)F	761778799	YBSKMPOBUHYLOZ-UHFFFAOYSA-N	304.337	3.685	50	20	DHGD	
CN(Cc1nc2ccccc2o1)/C(=C\C#N)c1ccc(F)cc1	770173900	RDJOGEPOOCFGJP-YBEGLDIGSA-N	307.328	3.963	50	20	DHGD	
COc1cc(C=NNC(=O)c2cc3ccccc3o2)ccc1C	773060660	ZZKCRXGCGZXGPE-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cccc3cnccc23)cc1	775387659	GDPDMDIRXHBJFA-UHFFFAOYSA-N	306.369	3.946	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1c(F)cccc1F	775781292	IDFRXOPMMUVJQL-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	775884166	JOHMLKLPSOVPHZ-TZMCWYRMSA-N	316.323	3.711	50	20	DHGD	
N#C/C(=C/c1nc2c(s1)CCCC2)c1ccc([N+](=O)[O-])cc1	776264764	ZXGUINHNHASVTD-XFXZXTDPSA-N	311.366	3.994	50	20	DHGD	
Cc1ccc2cc(C=NNC(=O)c3cccc(Cl)c3)ccc2n1	783511902	PEMZZZJHULXMRD-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccnc(C2CC2)c1	783588574	CWYVBORXGKUQIA-UHFFFAOYSA-N	307.397	3.595	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790585261	GKYBTWGMIMFXFR-LLVKDONJSA-N	323.368	3.784	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1cc(F)c(F)c(F)c1	793713853	UJAIBIJJNLXREY-MWLCHTKSSA-N	300.324	3.763	50	20	DHGD	
C=CC[C@@H](CC)NC(=O)NNc1cc(C(F)(F)F)ccc1F	798497293	ITHZLADXCCAPGS-SNVBAGLBSA-N	319.302	3.825	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCC[C@H](c2cccnc2)C1	799873403	QSAZADUHEJOUPQ-HNNXBMFYSA-N	307.397	3.834	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C[C@H]2CC[C@@H](C)C2)cc1OC	800808386	RSHPZQZNDDZWNP-KGLIPLIRSA-N	318.417	3.636	50	20	DHGD	
O=C(CC1CCCC1)NN=C1CC(c2cc(F)cc(F)c2)C1	814825847	MRANMAUHQRHNFI-UHFFFAOYSA-N	306.356	3.895	50	20	DHGD	
CC(CCCCN(C)C)=NNC(=O)Nc1ccc(Cl)cc1	815004358	FFTYWGLLBYWQRQ-UHFFFAOYSA-N	310.829	3.569	50	20	DHGD	
O=C(CCc1cncs1)NNc1cc(Cl)cc(Cl)c1	816472943	XDMNQTSGXKGJSY-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@H](CC(F)(F)F)C1	817281747	OPJFDEYSZSYGDD-VHSXEESVSA-N	302.178	3.682	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	818221630	RGERYJCAKNUMHJ-GQCTYLIASA-N	310.589	3.556	50	20	DHGD	
CN(NC(=O)c1sc2cccc(Cl)c2c1Cl)C1CC1	819645307	GMJNIEPHXFZQSB-UHFFFAOYSA-N	315.225	3.947	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2OC(F)(F)F)CC=CCC1	829949478	SVQPFFDGXRNZJQ-AWEZNQCLSA-N	314.307	3.775	50	20	DHGD	
CC(C)C[C@]1(C)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	834329297	MLOCXXSUAUYWQC-SKTWIKFTSA-N	312.413	3.726	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)c2cc(-c3ccccc3)on2)CC1	834937005	INJVRLRUUKTNHW-UHFFFAOYSA-N	322.368	3.531	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(C(C)C)cc2)c(C)n1	837058747	PKGPBENDIBIGKJ-UHFFFAOYSA-N	314.433	3.872	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCCC[C@@H]2C)o1	844579484	LJPFXIIHEASRLK-AWEZNQCLSA-N	319.449	3.807	50	20	DHGD	
COCC(CC(C)(C)C)=NNC(=O)c1cc2ccccc2o1	844584340	RMWBPQXYSSAMIN-UHFFFAOYSA-N	302.374	3.601	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)C1(F)CCCCC1	859695577	XFWHUKKEMAFNQQ-NSHDSACASA-N	307.203	3.623	50	20	DHGD	
C[C@H](NNC(=O)C1=C(c2ccccc2)CCCC1)C(F)(F)F	862321224	SLSUSRMUNHPTLT-NSHDSACASA-N	312.335	3.586	50	20	DHGD	
N#CC1(CC(=O)NNc2ccc(Cl)cc2F)CCCCC1	885107007	PKCDNEWHAYYTOO-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
Cc1oc(-c2cccs2)nc1C=NNC(=O)OC(C)(C)C	905419031	NAXNIBPHQSLVOK-UHFFFAOYSA-N	307.375	3.570	50	20	DHGD	
O=C(NN=Cc1csc(-c2ccc(F)cc2)n1)C1CCCC1	914835406	IISPRXGMUWFSPL-UHFFFAOYSA-N	317.389	3.590	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1cccc(F)c1	916346224	YFETWWBOZBQGBC-UHFFFAOYSA-N	316.401	3.767	50	20	DHGD	
Cc1cc(NNC(=O)NCC2CCC(C#N)CC2)ccc1Cl	922347875	FLBPNPLDVXHJLK-UHFFFAOYSA-N	320.824	3.605	50	20	DHGD	
COc1cccc2cc(CNC(=O)C3CCC(Cl)CC3)oc12	1263726638	NXNUXLRXJNBNFJ-UHFFFAOYSA-N	321.804	3.855	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@](O)(c2ccccc2)C1	1328957283	NEQGNRAOWRQOKE-PYIVIEQSSA-N	322.383	3.674	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)C(=O)c1ccc(C)c(C)c1	1346997345	RWUGWVYEOLRFGA-CXUHLZMHSA-N	307.349	3.808	50	20	DHGD	
CC(C)[C@@H]1CCCCCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776101229	XFUYUVHNWMXKLZ-HNNXBMFYSA-N	316.401	3.707	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1nc2ccccc2c(C(=O)O)c1C	1776689068	OSNOMIJETLAXOT-KWJWQAOWSA-N	322.364	3.764	50	20	DHGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1	6852514	IRHKBGGAUDXHAK-FOWTUZBSSA-N	300.402	3.687	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2cccc(Cl)c2)cc1	30609962	VUKFRWFFEFSNAK-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
N#C/C(=C/c1csnn1)c1nc(-c2ccc(C#N)cc2)cs1	66407953	HMVKQHFNOQNGBH-XGICHPGQSA-N	321.390	3.597	50	20	DHGD	
C[C@@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1F	118509761	UEXYHSNCKMPFET-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3ccc(F)cc3C)[nH]c2c1	119116407	DLKSOIHUWLQCEG-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C(C1CC1)C1CC1	128823186	GKNTWTOAXFIMHH-UHFFFAOYSA-N	316.298	3.724	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(/C#N)C(=O)NCc1ccccc1	133015651	DTHRTVGNYMIYKH-WJDWOHSUSA-N	316.360	3.965	50	20	DHGD	
COc1ccc([C@H](C)N(C)C[C@@H](C)CBr)cc1	133528253	CCSXREYYPALTTJ-RYUDHWBXSA-N	300.240	3.719	50	20	DHGD	
Cc1cnc([C@@H](NC[C@@H](C)CBr)C2CC2)s1	152825685	XRBBUEJVWPJFBH-KWQFWETISA-N	303.269	3.523	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(OCCCC#N)c1	171148620	CHFGZELPMHOTAD-FOWTUZBSSA-N	312.369	3.619	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cccc(Cl)c1F	178495414	WNEOZWXSWGPYCX-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	179177279	LBVKSNPRQNEGMF-WZUFQYTHSA-N	314.282	3.524	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cccc(Cl)c1	179712258	GAWYMMQDWXRLBF-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccc(SC(F)F)cc1	179950367	QDLWEBAIZOMRQW-UHFFFAOYSA-N	310.329	3.545	50	20	DHGD	
O=C(Cc1cccc(Cl)c1Cl)NNc1cccc(F)c1	194387304	BAYKRMZWFNSAAS-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	209744693	MHAVZIGPZZTQMS-DHZHZOJOSA-N	317.439	3.695	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1	265417332	DRQFBWPOXGZITH-DTWKUNHWSA-N	322.277	3.777	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccnn1C(C)C)c1ccccc1	280894565	FHBWCOMTBHNVTL-FXFXYLOPSA-N	322.412	3.638	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2C)cc1	303371736	KEWDLFRJRIUXFU-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)c1ccccc1OC(F)F	588384602	NPAINJJRKWGBIA-XFXZXTDPSA-N	315.275	3.783	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	588597336	HPRDUIQGYFWLKC-NVNXTCNLSA-N	323.298	3.767	50	20	DHGD	
CC(C)C[C@@H](C#N)NC(=O)CCCC[C@@H]1CCSS1	726559716	NRPJCUVDTWEDHO-QWHCGFSZSA-N	300.493	3.755	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2)cc1	728694915	NELNGUPMWZYRJQ-MPMPPSQCSA-N	302.333	3.767	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1cccc(Cl)c1	729861984	HGRVWPIATFGZGI-HNNXBMFYSA-N	303.793	3.674	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2ccc(O)c(Cl)c2)cc1	734093800	SQAAZMVMKRZCIP-UHFFFAOYSA-N	316.788	3.762	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ncccc1C(F)(F)F	740100834	RHGXYGAXGYUALM-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc2cnccc12	745995575	RUQVMCAYLIKVHX-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1)c1cccc2ncccc12	747751225	JGEJJQNJDLJRDG-TVNPNYTQSA-N	319.339	3.803	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(C)C	748732972	SHTQYMOZTPTWNM-JTQLQIEISA-N	313.785	3.764	50	20	DHGD	
C=CCCCCCCCNC(=O)/C(C#N)=C\c1ccc(O)cc1	752986850	VDYDLODHITWYAK-VKAVYKQESA-N	312.413	3.942	50	20	DHGD	
Cc1ccc(O)c(NC(=O)CCCC[C@H]2CCSS2)n1	753471269	UNKGLVFTUORUQW-NSHDSACASA-N	312.460	3.748	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1F)c1cccc(Cl)c1	753690968	ZGYJCXSZOUEJBM-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@H]2CCCC[C@@H]2C1	755382579	WXQPIZWYUDYKPO-MGPQQGTHSA-N	317.389	3.644	50	20	DHGD	
O=C(NN=C[C@@H]1CCc2ccccc21)c1cc2c(s1)CCC2	755540548	ABJLSZSLWHNEHC-AWEZNQCLSA-N	310.422	3.682	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C[C@@H](C)CC)cc1OC	755566204	NWSDOHGUHIXRHE-ZDUSSCGKSA-N	306.406	3.636	50	20	DHGD	
CCCCCC(C)=NNC(=O)CSc1ccccc1OC	761270948	MDHZPPNJCHYFLM-UHFFFAOYSA-N	308.447	3.860	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(C(F)(F)F)s1	761803152	CJEAPKQJSOVQRU-UHFFFAOYSA-N	304.337	3.797	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)C(C)(C)C2CCCCC2)o1	766840473	GZUUVTMGZJAYNI-UHFFFAOYSA-N	318.421	3.719	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)O1	767402986	SQTHUFLFAZIWET-GZMMTYOYSA-N	321.179	3.533	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(F)c(F)cc1F	767717118	HRNPDXFQXRFJMJ-XCZCUEMXSA-N	322.330	3.706	50	20	DHGD	
CC(C)(C)[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	768443676	AIECVYJIVAAVHD-MNOVXSKESA-N	304.272	3.691	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1nc2ccccc2[nH]1	768501547	IHRBISXMSWJXTR-CYBMUJFWSA-N	300.406	3.613	50	20	DHGD	
CC1(OCC(=O)NN(c2ccccc2)c2ccccc2)CCC1	772950870	RVPXFJQLARGSOQ-UHFFFAOYSA-N	310.397	3.815	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1	773144822	NNLXLXOHNHBQAC-SDQBBNPISA-N	322.261	3.973	50	20	DHGD	
O=C(NN=Cc1ccc(SC(F)F)cc1)NC1CCCC1	781587879	KXNFXCLGTVSDNP-UHFFFAOYSA-N	313.373	3.577	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccc(Br)cc2)C1	782017171	QVZIXLGIYWYJFY-SNVBAGLBSA-N	311.223	3.719	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)c1ccc(Cl)nc1	783514954	WLFXVSRIQSYYGN-SECBINFHSA-N	319.714	3.573	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)[C@@H]1CCCO1	783810763	PHDQFNDTLOPSRE-AWEZNQCLSA-N	320.458	3.692	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCCSc1ccccc1	785347571	YUMQFFYYACECOH-DTQAZKPQSA-N	309.390	3.929	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(C)(C)C)cc1	788192381	DYQOLJHGBPZABM-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccc(Cl)nc1C	788799333	BMVHWMPGUDYIKM-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1ccc(F)c2ccccc12	795358966	YRMLVQJTQSAUGQ-UHFFFAOYSA-N	324.359	3.649	50	20	DHGD	
CC1(C(=O)COC(=O)CCCC[C@@H]2CCSS2)CC1	795388561	XIJJXPLNFPFEMV-LLVKDONJSA-N	302.461	3.613	50	20	DHGD	
CC1(C)CN(Cc2ccc(OCCCCl)cc2)CCCO1	811465897	JSNBAEFXEXJRBS-UHFFFAOYSA-N	311.853	3.695	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)c1nnc(-c2ccccc2)o1	814815814	HMVGCWCPSIRSOT-UHFFFAOYSA-N	324.384	3.567	50	20	DHGD	
O=C(NN=CC1CCOCC1)Nc1ccc(Cl)cc1Cl	814995455	BLTKYJOREVYTCI-UHFFFAOYSA-N	316.188	3.527	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NNc2ccccc2Cl)o1	825286622	OKMRDEGQBBHTTR-UHFFFAOYSA-N	321.808	3.532	50	20	DHGD	
Cc1cc(N)cc(CNC(=O)CCCC[C@H]2CCSS2)c1	834854195	RQRBJDJNCPSOFW-HNNXBMFYSA-N	324.515	3.908	50	20	DHGD	
CCCC(=NNC(=O)c1c(C)nc2ccccn12)C1CCCC1	834922530	HXGZOHSYNSWRCY-UHFFFAOYSA-N	312.417	3.719	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)cn1	843264494	IZZMZVWMKQIDEI-RIYZIHGNSA-N	310.426	3.936	50	20	DHGD	
Cn1nccc1CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345628	UYURJSXRCLXDCE-UHFFFAOYSA-N	323.557	3.654	50	20	DHGD	
C[C@]1(CNCc2ccc(F)c3cccnc23)C[C@@H]1Br	856808520	ZXAYRRNCYNOBBE-DZGCQCFKSA-N	323.209	3.637	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NNc1ccc(-c2ccccc2)nn1	857148884	KMPBAMOQPNGHFE-KRWDZBQOSA-N	316.380	3.505	50	20	DHGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1ccc(OC)cc1C(F)(F)F	857264673	JLILCNSPIJKDJT-MWLCHTKSSA-N	316.323	3.593	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)c1cccnc1	863082976	SBHIKIQOYZSTAH-OAHLLOKOSA-N	321.783	3.757	50	20	DHGD	
O=C(OCC1CC(F)(F)C1)[C@@]12CC[C@@H](C[C@H]1Br)C2	869459185	AYMVPPVHQZZHLK-MKPLZMMCSA-N	323.177	3.529	50	20	DHGD	
CCCN(N=Cc1cnn(CC2CCC2)c1)C(=O)OC(C)(C)C	901237119	MXFIMGWCTIRTIG-UHFFFAOYSA-N	320.437	3.664	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1ccc(Cl)cc1	916254587	ZJZDKDXPGILFDU-UHFFFAOYSA-N	316.788	3.784	50	20	DHGD	
Cc1ncc([C@@H](C)NC(=O)NNc2ccc(Cl)cc2C)s1	923622599	MCOIQOJDMWJDER-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnc(CC(C)C)s1	935023402	UXRNJIBAMMVFTG-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1nccnc1C(C)C	935681139	SKHGCWWNSWJJIA-UHFFFAOYSA-N	316.405	3.556	50	20	DHGD	
O=C(NN=C1CCCC12CCCCC2)c1n[nH]c2c1CCCC2	1324601835	NXECWFWYHPBKDI-UHFFFAOYSA-N	314.433	3.509	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(F)ccc1F	60775896	VAGSIGLIUQITIA-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1cc(C#N)cc(Cl)n1	93545406	IVDSAUVPVQBSQC-GFCCVEGCSA-N	320.824	3.656	50	20	DHGD	
Cc1ccnc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	121577745	UKQQBADRDBWMDQ-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc2cc[nH]c2c1	132834542	HCCIDDAYOFHUPY-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cnc(C(C)(C)C)s2)c1	150764243	VYQKEHSODPUNPU-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCn2ccc3ccccc32)c1	150834744	WXBUAEHYGSSXDN-UHFFFAOYSA-N	311.360	3.622	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ccccc2F)c(C)s1	152838231	SZQPMXJHAHLFQO-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cc(F)c(F)cc2F)c(C)c1	155301903	VSHSPPRZXITFDM-UHFFFAOYSA-N	308.303	3.786	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)Cc2cccc(F)c2)c1	158860295	SWUMXXIBFSUBFR-AWEZNQCLSA-N	300.377	3.764	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1(Cc2ccccc2)CC1	176315959	FXPVYWWMEAACOW-UHFFFAOYSA-N	320.314	3.570	50	20	DHGD	
CCCCOc1cccc(NS(=O)(=O)CCCCCl)c1	190745321	XLILJNJHTFLGBA-UHFFFAOYSA-N	319.854	3.626	50	20	DHGD	
COc1cccc([C@H](C)C(=O)NNc2cccc(Cl)c2)c1	193447533	HBXBKAUYMUKTAL-NSHDSACASA-N	304.777	3.595	50	20	DHGD	
COc1cc(NC(=O)NNc2c(C)cccc2F)ccc1Cl	194375521	ZUKQUYVDDJBYQP-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)ccc1O	194531882	VMDZPQOQDBLLPG-RIYZIHGNSA-N	311.312	3.720	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1nccs1	211658699	RMMIIXVGQABISE-UITAMQMPSA-N	324.192	3.996	50	20	DHGD	
CCC(C=NNC(=O)COc1cccc(C(F)(F)F)c1)CC	252474291	AJQNLWJHYFQDCI-UHFFFAOYSA-N	316.323	3.622	50	20	DHGD	
COc1ccc2ccccc2c1/C=C(/C#N)C(=O)NCC(C)C	255007355	BDTCAIGQUNUUQK-GDNBJRDFSA-N	308.381	3.528	50	20	DHGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)c1c[nH]c2cc(F)ccc12	588523998	QHLNRZGXGWZOFJ-VZUCSPMQSA-N	309.275	3.631	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)Cc2ccccc2F)cc1	731322102	XWDFUCXCRWNLBW-UHFFFAOYSA-N	312.388	3.816	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1c(F)cccc1F	735694047	BHZIVDYNSSGDJT-ZDUSSCGKSA-N	304.340	3.677	50	20	DHGD	
C/C(=C/C(=O)NNC(=O)Cc1cccc2ccccc12)C(C)(C)C	742503473	ORVMDGNBXNHITM-OWBHPGMISA-N	324.424	3.522	50	20	DHGD	
C/C(=C\C(=O)NNC(=O)c1cccc2ccccc12)C(C)(C)C	742706364	VAHYWTQKBHUDPK-OUKQBFOZSA-N	310.397	3.593	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C)c(Br)c2)cc1	749193981	QSLKHWNGUBKGAW-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCCCCCNS(=O)(=O)c1ccc(CCCCl)cc1	750855979	ZASKWNHGQFRJLV-UHFFFAOYSA-N	317.882	3.717	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)c1	755507214	QZDVRCYEZGDNQZ-HKUYNNGSSA-N	322.408	3.588	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1C(F)(F)F)C1CCC1	756732191	AUELILUBAJYZOE-VIFPVBQESA-N	301.312	3.520	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)CC1CCCC1)C1CCC(C)CC1	764463385	VORDRZSVWJCTGX-AVVWSFFYSA-N	308.466	3.567	50	20	DHGD	
Cc1cccc(NNC(=O)COc2cc(C)c(Cl)c(C)c2)c1	767862919	TZWVPIFZCSAWPP-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
Cc1cc(NC(=O)[C@H](Br)C(C)(C)C)cnc1Cl	768216616	JATKECGTYHRWNT-VIFPVBQESA-N	319.630	3.792	50	20	DHGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C/C=C\c1ccco1	773095573	ZCJHQXRJYWPQPS-PLHJTRLBSA-N	318.760	3.516	50	20	DHGD	
CC(C)(C)CN(CCC#N)C(=O)[C@@H](Br)C(C)(C)C	781084025	MGFSRHZYJPXEGK-LLVKDONJSA-N	317.271	3.584	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1cc(Cl)ccc1O	782178662	DBVWTZGOWFUUGR-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
Cc1ccccc1OCCOC(=O)/C(C#N)=C/c1ccccc1	785350187	GMZMOSYLYOZANQ-GHRIWEEISA-N	307.349	3.524	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccccc2Cl)c1	786052085	YINGUUWITIHTPT-YBEGLDIGSA-N	310.784	3.872	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNC(=O)c1cccc2ccccc12	786225107	ZRPHRERCRVHGEB-UHFFFAOYSA-N	322.364	3.631	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(OC)cc1Cl	797342827	VPMUHCAUVDIDKM-UKTHLTGXSA-N	306.793	3.562	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)c1ccccc1	798141660	DDXNUTFBAIEKCE-NSHDSACASA-N	318.808	3.500	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(Oc2ccccc2)cn1	799541496	VSCJSMBVPWFURR-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1F	799890362	JCPAZHZECFHUAZ-GXDHUFHOSA-N	321.311	3.948	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2F)oc2ccc(Cl)cc12	804216730	JJUVVOOUVAGBPW-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
Cc1nccn1CCCN(C)CCO[Si](C)(C)C(C)(C)C	808739991	FGKCJUPBSIQFMY-UHFFFAOYSA-N	311.546	3.535	50	20	DHGD	
CSCC[C@H](C)NCc1ccc(OCCCCl)cc1	811481147	PTVLQAGCUNPVPR-ZDUSSCGKSA-N	301.883	3.926	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CCCSC1	812823935	OPMHDTJMIPDPNT-OAHLLOKOSA-N	312.438	3.999	50	20	DHGD	
O=C(NN=C1CCCOCC1)Nc1ccc(Cl)cc1Cl	814996384	YEXRCDRJCKYYKP-UHFFFAOYSA-N	316.188	3.671	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cccnc1Cl	822584169	CCBXRQFQZLSYFT-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
Cc1cccnc1NNC(=O)C1=C(c2ccccc2)CCCC1	830977335	QSUPLNLFJSLGDK-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C)cc2Cl)C1	836936081	YEQPMQBXYRHSPZ-CHWSQXEVSA-N	310.825	3.687	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ncnc(Cl)c1C(C)C	840545575	KPUUMTJWVRQELO-UHFFFAOYSA-N	322.796	3.727	50	20	DHGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)[C@@H]1CCO[C@@H]1C	842548608	AKDXEKXGAFAXFR-CRAIPNDOSA-N	322.408	3.537	50	20	DHGD	
O=C(NNc1ccccc1Oc1ccccc1)C1[C@@H]2CCC[C@@H]12	846463145	LWAXAGPODYEUMI-HUUCEWRRSA-N	308.381	3.968	50	20	DHGD	
CN(NC(=O)c1cc2cc(C(F)(F)F)ccc2s1)C1CC1	854983434	GDIZDSXQWMSNJO-UHFFFAOYSA-N	314.332	3.659	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1cc(F)cc(Cl)c1	855618381	DAKHHEPLOKUJKG-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
CC[C@@](C)(NC[C@H](CBr)C1CC1)C(F)(F)F	859196720	DYPFLPHXUREBBD-VHSXEESVSA-N	302.178	3.728	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)[nH]c(C(=O)OCC)c1C	863186250	UEZGASZUVNMYPU-RLIURORJSA-N	316.401	3.721	50	20	DHGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)C(C)(C)C)cc1OC	864362916	KXXQQLJOWLHVLY-WDZFZDKYSA-N	307.777	3.879	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cncc(C(=O)O)c2)s1	899371167	NRBDUQAGHORKDB-NYYWCZLTSA-N	313.382	3.598	50	20	DHGD	
CCOc1cccc2cc(C(C)=NNC(=O)[C@@H](C)CC)oc12	915977411	UDWGXIWXUJMFAH-NSHDSACASA-N	302.374	3.718	50	20	DHGD	
O=C(COc1ccc(F)cc1)NN=C1CC[C@@H]2CCCC[C@@H]2C1	916331200	HWUGVVKTBHXDLZ-UONOGXRCSA-N	318.392	3.667	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cc(Cl)ccc12)c1ccccc1F	918708416	ZTTLYSVKNUUPBV-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
CCCNC(=O)NN=C(C)CCc1cccc(C(F)(F)F)c1	920988976	YHDURKNJCYWOPF-UHFFFAOYSA-N	315.339	3.723	50	20	DHGD	
BrC[C@@H](CN1CCC=C(c2ccco2)C1)C1CC1	1261797330	DNVWRHAIWKYXKC-AWEZNQCLSA-N	310.235	3.790	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2cccc3cccnc23)cs1	1320809632	ORIWQTJOLVMZLI-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
C=C(CBr)CN1Cc2ccccc2C2(CCC2)C1	1323546239	OSICDARDAZQOOL-UHFFFAOYSA-N	306.247	3.875	50	20	DHGD	
Cn1ncc(NC(=O)C2CCC(Cl)CC2)c1-c1ccccc1	1528419219	ZWPNDRJCOVNAOP-UHFFFAOYSA-N	317.820	3.823	50	20	DHGD	
COc1ccccc1C[C@H](C)N(C)C[C@@H](C)CBr	88202962	ADRAAKWQRCGDAE-STQMWFEESA-N	314.267	3.589	50	20	DHGD	
CCc1nc2cc(NC(=O)NNc3ccc(F)cc3)ccc2o1	92763131	XWANHAZZVHDQDL-UHFFFAOYSA-N	314.320	3.678	50	20	DHGD	
CC[C@H](NNC(=O)c1ccc(Cl)cc1OC)c1ccccc1	112518979	QXUMTKLREOQMKF-HNNXBMFYSA-N	318.804	3.734	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc(F)c(F)cc1Cl	122417665	GTXXUKYXWLIJHV-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1cccc(Cl)c1NC(=O)NNc1cccc(C#N)c1	133138130	MGTCHPVWZVVFFW-UHFFFAOYSA-N	300.749	3.669	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(Cl)c1)c1cccc(F)c1	134556146	ALVSPYBJYQQZHS-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
CSCCCCC(=O)NNc1ccccc1C(F)(F)F	172354202	LHRALCYFJCFFPQ-UHFFFAOYSA-N	306.353	3.682	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C)cc2)c2ccccc12	194543107	HKHVPEQJYWSOCP-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)[C@@H]1CCCC[C@H]1C	194547595	MUYVNBVBJZTIIG-DEKNZBOESA-N	312.413	3.726	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cn(C)nc2CC)c1C	255642147	YTVLVAKWSCZTCO-XNTDXEJSSA-N	324.428	3.601	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)c2ccccc2)cc1	303905270	TWMUESJJAQISKD-OAHLLOKOSA-N	324.424	3.765	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cccc(F)c1C#N	491080477	DKTLUJVISFCYKJ-ZROIWOOFSA-N	305.312	3.551	50	20	DHGD	
COc1ccc(Cl)cc1CN(C)C[C@H](C)CBr	688948799	TYUCOXWBKVYFLP-SNVBAGLBSA-N	320.658	3.811	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CCCC(C)(C)C)cc1C	728985932	FBPIDLRFQRELFW-UHFFFAOYSA-N	321.490	3.837	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1ccc(F)cc1	742516852	NYIOKTMJSTUPPD-WQVCFCJDSA-N	308.397	3.643	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(OC)c3ccccc23)cc1	746887295	SQKDBUJPXYDAGJ-UHFFFAOYSA-N	322.364	3.614	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748717564	BDLJIKIBGJUVRH-JTQLQIEISA-N	313.785	3.908	50	20	DHGD	
CN(NC(=O)[C@H](OC(C)(C)C)c1ccccc1)c1ccccc1	754453335	UFFNFCCHHYRJES-QGZVFWFLSA-N	312.413	3.710	50	20	DHGD	
CC[C@H](C[C@@H](C)CO)NC(=O)CCCC[C@H]1CCSS1	759561247	WUSQHTPWGWKWMM-MCIONIFRSA-N	319.536	3.614	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761393580	RUIBEWKTOVJIRU-KVNNJZLQSA-N	320.197	3.540	50	20	DHGD	
N#C/C(=C\c1cccc(C(=O)O)c1)C(=O)c1c[nH]c2ccccc12	765827757	YCBVSJRERYEXLO-NTEUORMPSA-N	316.316	3.656	50	20	DHGD	
Cc1cc2ccccc2n1CC(=O)OC[C@@H](C)CBr	770330201	ITXPQHOZGXPRPK-NSHDSACASA-N	324.218	3.524	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1C[C@@H]1c1ccc(F)cc1	777461739	RARPRRJSTGUCMF-HZPDHXFCSA-N	321.355	3.621	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)C[C@H](C)CC(C)C)c1	779759908	KHRCEVOTGBYANZ-CYBMUJFWSA-N	320.433	3.882	50	20	DHGD	
Cc1cnc(C(=O)NNc2ccc(Cl)cc2Cl)c(C)c1	780663323	YKSDXKIEVCZMJG-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCSCC[C@@H](C)N(C)C(=O)[C@@H](Br)C(C)(C)C	781095879	BTODSDRMISDWHY-GHMZBOCLSA-N	324.328	3.786	50	20	DHGD	
Cc1c(F)cccc1NC(=O)[C@@H](Br)C(C)(C)C	781096245	GBAANWPXOUBVSM-LLVKDONJSA-N	302.187	3.882	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(Cl)ccc1O	781098360	SBJGBKQSWJWALN-SNVBAGLBSA-N	320.614	3.794	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc(C)c2ncccc2c1	792633847	UOBYAPUJKQKQRU-WJDWOHSUSA-N	314.410	3.623	50	20	DHGD	
CC(=NNC(=O)NCC(F)(F)F)[C@H](C)c1ccc(Cl)cc1	794494760	OJWVGKADRHFVQT-QMMMGPOBSA-N	321.730	3.681	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(F)ccc(O)c2F)s1	794943310	XHEZAFMVNJQPQE-TWGQIWQCSA-N	305.305	3.830	50	20	DHGD	
C=C(CBr)COC(=O)CCc1ccc(CC)cc1	795359113	YAMQRJNIUILUIZ-UHFFFAOYSA-N	311.219	3.676	50	20	DHGD	
C[C@@H](C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1)C1CC1	802037196	WTLXBQREVJTUET-CYBMUJFWSA-N	323.396	3.552	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccccc1Cl	806087635	HUJMLMQZHRMQNG-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(-c2ccc(Br)cc2)cs1	806553540	RDJXVOADOOZCCD-DHZHZOJOSA-N	320.215	3.786	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@H]1CCCSC1	812823933	OPMHDTJMIPDPNT-HNNXBMFYSA-N	312.438	3.999	50	20	DHGD	
N#C/C(=C\c1cnn(CC(F)F)c1)c1ccc2ccccc2n1	814188483	LUWGVAVEHDFMPG-VGOFMYFVSA-N	310.307	3.761	50	20	DHGD	
CC[C@@H](C=NNC(=O)COc1ccc(F)cc1)c1ccccc1	814749459	YPLXSYNOIXIZDB-AWEZNQCLSA-N	314.360	3.500	50	20	DHGD	
CN(N=Cc1ccc2ccccc2c1O)C(=O)OC(C)(C)C	814813474	PLJCIXKGLKCTKX-UHFFFAOYSA-N	300.358	3.746	50	20	DHGD	
CCOc1ccc(NNC(=O)C(C)(C)Cc2ccccc2)cc1	817886021	TVJUWBJOGIFMAD-UHFFFAOYSA-N	312.413	3.797	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(C)nc2C2CC2)c(C)c1	836778719	JPZMEWLKJFXRMB-UHFFFAOYSA-N	309.413	3.950	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(F)cccc2Cl)c(C2CC2)n1	836783221	UUHPUJUJJVJCAX-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnc(OC(C)C)c2)c(Cl)c1	836935733	AMYGJEDFZQTEJL-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@H]1c1cccc(C#N)c1	839757286	IORMJMODAYCSNX-ZWKOTPCHSA-N	319.408	3.676	50	20	DHGD	
CC[C@@H](SC)C(=O)NNc1ccccc1Cc1ccccc1	846463936	JEZSATKFXKPCIC-QGZVFWFLSA-N	314.454	3.862	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)nc2C)cc1F	856225433	IMLJCTIPMUFJKD-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
C[C@H](NC[C@H](CBr)C1CC1)c1ccc(C#N)cc1	859229961	QQOIFPAHSLDPHD-NHYWBVRUSA-N	307.235	3.630	50	20	DHGD	
CC(C)/C=C/c1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881382275	LCVQSRAZOZQUTR-KJDJKKKBSA-N	318.646	3.644	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)[C@H]1CCC[C@@H](C(F)(F)F)C1	885144758	KFVWCEIPJMQSFP-DTWKUNHWSA-N	322.277	3.777	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1NC1CCCCC1	913948566	LZOGWHKCYKSRCH-YPKPFQOOSA-N	313.401	3.814	50	20	DHGD	
CCCCCCC(C)=NNC(=O)COc1ccccc1OC	917569416	YWRHSJVNQXXPCW-UHFFFAOYSA-N	306.406	3.537	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H](C)c1cnccc1C	921759359	RLOSYUYRRGHJKO-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC(n2cc(Cl)cn2)CC1	1320195585	JRJANNNUGHYCFS-FMQZQXMHSA-N	312.804	3.738	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1C=CCCC1	1340263668	XJXAZSAIPVELDK-JTQLQIEISA-N	300.189	3.728	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C)CC2)c1C	68965513	JHCYFAXAXMXDEJ-PDGQHHTCSA-N	313.445	3.680	50	20	DHGD	
CC(C)(C)c1ncsc1C(=O)NNc1ccc(Cl)cc1	120166144	ABZKSOCDRUWFCA-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
C[C@@H]1CCc2c(sc3nc(C(Cl)Cl)[nH]c(=O)c23)C1	125355027	UQLQBICKGAXBAS-RXMQYKEDSA-N	303.214	3.586	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c(C)o1	128672329	HYYLXKSXIINASC-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](C)c1cccc(Cl)c1Cl	159593395	TXKBJTBHPPUQOV-CUQRQBARSA-N	313.184	3.615	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1)c1ccccc1	178862022	QAHHJDZYEFXHTF-INIZCTEOSA-N	313.357	3.622	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1cc(F)cc(OC)c1)c1ccccc1	179494708	PRJDCLTZFKDQEP-ZDUSSCGKSA-N	314.360	3.637	50	20	DHGD	
CC(C)OCc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	179795319	HQEVTQIDPVPPJC-UHFFFAOYSA-N	317.364	3.899	50	20	DHGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2ccc(C(C)(C)C)cc2)O1	181160340	LINAQNVEVBVEMD-CZUORRHYSA-N	304.434	3.775	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)ccc1C	194525036	TVSPIWRZPXEILM-VIZOYTHASA-N	321.332	3.522	50	20	DHGD	
CSC1(CNC(=O)NNc2ccc(Cl)cc2Cl)CC1	195138178	HGHBTTIPTPJOOD-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1nc2c(ccc3ccccc32)s1	215242919	LBROLNOOTDVSDQ-BENRWUELSA-N	323.377	3.832	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2c2cccc(Cl)c2Cl)CC1	270898627	FDIAAQVMNUDFDN-OLZOCXBDSA-N	321.207	3.779	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(Cl)cc2C(F)(F)F)CC1	274698606	NBXYPNOFKMYGEE-UHFFFAOYSA-N	314.694	3.655	50	20	DHGD	
Cc1cc(C=NNC(=O)Cc2ccc3ccccc3c2)ccc1F	729142764	ZJSHPCOPSWSLFU-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNc1ccccc1Cl	729621421	JAISIZAZXRIUEN-HNNXBMFYSA-N	315.804	3.962	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)cc1	734482483	BUTMERYNAWJCKM-XBJPGOICSA-N	320.392	3.935	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C1CCC[C@H](CC)C1	734977144	FWIKSDULVFORSZ-AWEZNQCLSA-N	318.417	3.537	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	741924992	LRUOUMLMUJDPCL-OAHLLOKOSA-N	318.461	3.718	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1cc(C)ccc1C	748414213	HDOFFXFYHXFBMO-QGZVFWFLSA-N	312.413	3.913	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H](C)CC(C)(C)C)cccc1[N+](=O)[O-]	748681489	QMIPWRKRHJCTHQ-LLVKDONJSA-N	307.394	3.809	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1	749348094	NGACKAMTDLOYCQ-SECBINFHSA-N	311.769	3.518	50	20	DHGD	
CCn1ncc(C(=O)NNc2cccc(C)c2)c1-c1ccccc1	757667150	WJNQBEVRFJFYLR-UHFFFAOYSA-N	320.396	3.635	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCC1(c2ccccc2)CC1	767012100	POZPCEKWIYDCBI-CYBMUJFWSA-N	324.262	3.644	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)Cc1ccccc1F	771301019	QKAOYCMEQUJSFN-LBPRGKRZSA-N	319.355	3.531	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)c(C)c1	771521877	VXXWVDSZERTLCS-WJDWOHSUSA-N	319.360	3.865	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cscc1Cl	771885499	ZEHKHADGMZOCDJ-UHFFFAOYSA-N	306.818	3.875	50	20	DHGD	
CCC1CCC(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	776634723	MGQZGOLZRVAUSQ-BOPFTXTBSA-N	312.413	3.632	50	20	DHGD	
CC(C)[C@H]1CC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CCO1	776759350	LUQWUVGNRKQSJV-MUGCCGGLSA-N	318.461	3.510	50	20	DHGD	
CC(C)[C@H]1CC(=NNC(=O)c2cccc3ccccc23)CCO1	776772208	NFBDYUXILYHGBG-GOSISDBHSA-N	310.397	3.761	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(C)nc(Cl)c1)c1ccccc1	788715556	LFEPBHHNMZFELD-HNNXBMFYSA-N	315.804	3.687	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2F)o1	790100378	PMLQBSGXQSMPGB-PKNBQFBNSA-N	315.275	3.861	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1/C=C\c1ccccc1	790879913	VDNFRTZDJGOBSW-FJVVXJACSA-N	322.499	3.885	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cn(C(C)(C)C)nn2)s1	797406412	TUYWGEOEQVHMCD-XFFZJAGNSA-N	315.446	3.851	50	20	DHGD	
CCc1occc1C(=O)NNc1ccc(Br)c(C)c1	797746137	NVFFWWHQUZDKMH-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
COc1cccc(C=NNC(=O)c2ccc3ccccc3c2)c1F	799876197	MCPJXTHXIWISLU-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1ccccc1OC(F)(F)F	803127051	UFGWURKKRUIZDR-JTQLQIEISA-N	304.312	3.855	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)c1cc(C)nc2ccccc12	814714264	ZEJPYOAUWKVHPK-UHFFFAOYSA-N	315.442	3.791	50	20	DHGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)c2cc3c(s2)CCC3)CS1	814738836	PPYQUPHWXIDWPQ-AWEZNQCLSA-N	322.499	3.874	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CC(c2ccccc2)C1	814747008	HGBGUHUDLFPWTO-UHFFFAOYSA-N	317.392	3.760	50	20	DHGD	
CCC(=NNC(=O)c1ccc2ccccc2c1)c1cccc(N)c1	814810430	MGJKHRALCRXAID-UHFFFAOYSA-N	317.392	3.966	50	20	DHGD	
O=C(NNc1ncccc1Cl)C1CC(c2ccc(F)cc2)C1	825854924	POJBQVXMTJUJBR-UHFFFAOYSA-N	319.767	3.511	50	20	DHGD	
CO[C@H](C1CC1)[C@@H](C)NC(=O)CCCC[C@H]1CCSS1	837008381	NJKLQKOMBPQEQH-ZLDLUXBVSA-N	317.520	3.630	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CCC[C@H]1C	840547009	HNPKYCRZFIVUOL-MNOVXSKESA-N	310.829	3.523	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)[C@@H](C)CO1	846435249	VWALBQLCJCVHHH-MJBXVCDLSA-N	317.520	3.726	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ccc(C)cc1)CCC2	848370838	LAAQLVZDYCWVNV-QGZVFWFLSA-N	310.397	3.567	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)OCC(F)(F)F)C1	853430599	LHXUMUQRDJHLKS-UHFFFAOYSA-N	300.280	3.517	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(F)cc2Cl)c(C)n1	885136838	JKBGTKRDYRIMJA-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
Cc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)n1C	1317732261	OHIQKSXHUUJXJP-CQSZACIVSA-N	312.504	3.664	50	20	DHGD	
C[C@H]1CCc2nc(NC(=O)NNc3ccccc3F)sc2C1	1324750706	JIRJQUSOPCERLV-VIFPVBQESA-N	320.393	3.556	50	20	DHGD	
CCc1csc([C@@H](C)NC(=O)c2cccc(CCl)c2)n1	1335993763	KOCNQHVMAZGKAF-SNVBAGLBSA-N	308.834	3.935	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1c(C)cc(Cl)cc1C	1338967678	ROLNCSGFTZMOOL-UHFFFAOYSA-N	304.781	3.809	50	20	DHGD	
CCN(C(=O)CCl)[C@H](c1ccc(Cl)cc1)c1ccccn1	1341509282	AOANNXRXKOZTSY-MRXNPFEDSA-N	323.223	3.912	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2[nH]ccc2c1	120196705	LSNGURILGJTRMN-UHFFFAOYSA-N	305.381	3.804	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1Cl	125242027	MBDVDVSLQGLSBH-LCYFTJDESA-N	312.756	3.894	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2cccc(Br)c2)C1	152115727	ODHJAIQJMFHVQG-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
CC(C)(C(=O)NNc1cc(F)c(F)c(F)c1)C1CCCC1	152731733	JRIZCKKGKSUQBK-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccc3ccccc3n2)c(C)c1	159282004	AXBPVWRFIPGKED-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccc(Br)cc2)C1	175220987	DMRINOIUSVIJGF-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccncc2)cc1C(F)(F)F	183065666	YTAIQGCOQBQESN-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1cc(NS(=O)(=O)CCCCCl)ccc1OC(C)C	190783386	YARYNYLRVSKLRC-UHFFFAOYSA-N	319.854	3.543	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	255318663	FRIQTHHYOYNASM-KAMYIIQDSA-N	323.352	3.908	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	255593785	AYWBPNKRKGDLNV-YFHOEESVSA-N	306.287	3.651	50	20	DHGD	
CCCN(N=C1CCCc2cc(N)ccc21)C(=O)OC(C)(C)C	496135804	DNEGSJDYFWWCLM-UHFFFAOYSA-N	317.433	3.956	50	20	DHGD	
CC(=NNC(=O)Cc1nc(C)cs1)c1cccc2ccccc12	725855894	IJBNARGGGOBDDZ-UHFFFAOYSA-N	323.421	3.688	50	20	DHGD	
CCOCC(C)=NNC(=O)c1cc2c(s1)CCCCCC2	726422878	BSBUZJJUYBDFES-UHFFFAOYSA-N	308.447	3.549	50	20	DHGD	
COc1cc(C(C)=NNC(=O)CC(C)(C)C)ccc1SC	728429145	ULVJEQMOLUDLDZ-UHFFFAOYSA-N	308.447	3.694	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)Cc1cccs1)c1ccccc1	731932183	AUTRDWOIYMEQOO-INIZCTEOSA-N	300.427	3.977	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccc(C#N)cc2)c(Cl)c1	741766595	XNMQIKWVTQQVCI-UHFFFAOYSA-N	312.760	3.676	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cccc(C)c1C	741767144	OPUQSNPCQNMVEP-UHFFFAOYSA-N	324.428	3.915	50	20	DHGD	
COCc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1	741851988	HRZGSTLIMSJUSJ-WJDWOHSUSA-N	303.365	3.784	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccc(Cl)nc3)csc2C1	743816737	LFHNUGQZWZPQTP-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	745390185	DOMLMQXPZUXYQJ-FRRDWIJNSA-N	322.840	3.720	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cccc3cccnc23)cc1	747362149	OZVCGRVZTAUYGY-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2ccc(C(F)(F)F)cc2)o1	747588662	PGYOSNPWHDGSJS-SNVBAGLBSA-N	312.291	3.854	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748721647	FVBCWQUNGUFXGJ-NXEZZACHSA-N	311.769	3.518	50	20	DHGD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)NNc1ccc(F)cc1	763091107	MWYDGGDGNMFTBD-SJCJKPOMSA-N	313.376	3.775	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)Nc1cc(F)cc(F)c1	765288494	JVXPXELKBXTONT-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@H](c2ccc(F)cc2)C1	770654117	AAFMFCDCJFJVDM-AAEUAGOBSA-N	300.215	3.646	50	20	DHGD	
O=C(NN=Cc1ccc(SCc2ccccc2)cc1)C1CC1	771872276	RNJGACZIZQFISC-UHFFFAOYSA-N	310.422	3.839	50	20	DHGD	
CCC(=NNC(=O)Nc1ccccc1C)c1ccc(C#N)cc1	773053492	FONKIUYEDQLHPR-UHFFFAOYSA-N	306.369	3.803	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(C#N)s2)ccc1[N+](=O)[O-]	774563236	YBNHGHSFEGBYIY-WDZFZDKYSA-N	311.322	3.601	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccc4ccccc4n3)CC2)c1	777463393	DIKMAIISLOHXLN-UHFFFAOYSA-N	317.392	3.718	50	20	DHGD	
CCOc1cc(Cl)ccc1C(=O)NNc1ccc(OC)cc1	779195271	VSWXWILBFYAJAS-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1F	779751570	JVDYLCBRTSCNEC-UVTDQMKNSA-N	316.376	3.580	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC(C)(C)C1	779756044	OEMAFCLFXLSTRY-UHFFFAOYSA-N	317.389	3.917	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	780853555	BPRHWAKHIQVSHD-CMDGGOBGSA-N	315.200	3.501	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ncsc1-c1ccccc1	783534091	HJVMAQRABZTHLJ-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
Cc1ccc(-c2nnc([C@H](C)OC(=O)/C(C#N)=C\C3CC3)o2)cc1	786677207	XWWKLNXNJDGYBQ-ZENNRRHLSA-N	323.352	3.509	50	20	DHGD	
Cc1cc(C(=O)COC(=O)/C(C#N)=C/C2CC2)c(C)c(C)c1C	786678818	UOFVIMPQSJVPPU-LZYBPNLTSA-N	311.381	3.506	50	20	DHGD	
COc1cccc(NC(=O)NNc2ccc(Cl)c(OC)c2)c1	788539339	ACLFCZOAPVHISU-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)C1CCC(F)(F)CC1	788714887	QHQYSIWIRNIXDG-UHFFFAOYSA-N	315.751	3.666	50	20	DHGD	
COCC1CCN(Cc2ccc(OCCCCl)cc2)CC1	788846945	NTDKEJFSZLHWSS-UHFFFAOYSA-N	311.853	3.553	50	20	DHGD	
CSSCCNC(=O)N(C)CCc1ccc(Cl)cc1	790877925	DPHNYGVJLSHRRH-UHFFFAOYSA-N	318.895	3.535	50	20	DHGD	
CCCN(N=C(C)c1ccc(F)cc1O)C(=O)OC(C)(C)C	794996526	SHFGMPGJPJJIOW-UHFFFAOYSA-N	310.369	3.902	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(C)c([N+](=O)[O-])c1	797325939	CEGGODXTWNSFLF-GDNBJRDFSA-N	315.373	3.507	50	20	DHGD	
COc1ccccc1NCC(=O)NN=CCC1CCCCCC1	799105516	AMWZPIIYEHOXNS-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C1CCC[C@H]2C[C@@H]12	800810062	KHVMJTIEVDZDSG-DOTOQJQBSA-N	308.381	3.511	50	20	DHGD	
CCC1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCCCC1	802016507	CLNJLBNEHYRVEY-UHFFFAOYSA-N	323.824	3.853	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(Cc2ccccc2)CCC1	808246994	PYARDTSXJGLROO-UHFFFAOYSA-N	300.229	3.662	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(C(=O)O)c1)c1ccc2ccccc2n1	809155469	XWBMBZJWEQLSFO-NTEUORMPSA-N	316.316	3.703	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/C(C)=C\c1ccccc1COC	814187291	FUNMLMPFRRVIID-DARJFKRNSA-N	312.413	3.603	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2ccsc2)c1	814990903	JPXDPRFJZPGQMC-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
Cc1cncc(CCC(=O)NNc2cc(Cl)cc(Cl)c2)c1	816472711	OPKIFWBKRIVZKK-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cccc2cccnc12	818256436	CGYHFHPMYSAUJQ-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
C[C@@H]1CC2(CCOCC2)CN1/C(=C/C#N)c1ccc(F)cc1	830603297	NRUHZMTZTMNRFO-LHVGBSQFSA-N	300.377	3.581	50	20	DHGD	
CO[C@@](C)(C(=O)NNc1ccc(C(C)C)cc1)c1ccccc1	837055454	FXWGBWGUTZBIQE-LJQANCHMSA-N	312.413	3.815	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CS[C@H](C)C1	840413169	DIRWWZJXASBSAL-CHWSQXEVSA-N	307.463	3.639	50	20	DHGD	
C[C@@H](Cc1ccccn1)NC(=O)CCCC[C@@H]1CCSS1	848311845	RPENQGRQPGIESK-DZGCQCFKSA-N	324.515	3.843	50	20	DHGD	
CCC(CC)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	849200201	MNCRGOAIBSJFRB-UHFFFAOYSA-N	322.474	3.604	50	20	DHGD	
CCN(C(=O)NC[C@]1(C)C[C@H]1Br)C1CCCCC1	856950510	BOLRNGGTQNPQDO-OCCSQVGLSA-N	317.271	3.524	50	20	DHGD	
CCC/C(C)=C\C(=O)NNC(=O)c1cc2c(s1)CCCCC2	920287963	RYNUHEXGXGYGIH-BENRWUELSA-N	320.458	3.524	50	20	DHGD	
C=CCCO[C@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	921146215	NYXNQGNXLDYFCE-MRXNPFEDSA-N	322.408	3.536	50	20	DHGD	
Cc1cc(NNC(=O)Nc2cnn(C(C)C)c2)ccc1Cl	923123063	JGSTYIMGJFDOCK-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
O=C(NNC(=O)c1ccccc1Cl)/C(F)=C/C1CCCCC1	1116907633	QOCYNFKSRDIWLP-UVTDQMKNSA-N	324.783	3.535	50	20	DHGD	
O=C(CCl)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@@H]21	1261916903	IRKZLRLTOBPSSP-UGFHNGPFSA-N	317.820	3.634	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)c2c(C)noc2C)cc1Cl	1319566891	PWBCJROSXOKJOA-SNVBAGLBSA-N	321.808	3.890	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CSCc2cccs2)c1	1320012500	SQSVGYWJVAWDMM-UHFFFAOYSA-N	306.456	3.741	50	20	DHGD	
O=C(/C=C/C1CCCCC1)NNc1cc(C(F)(F)F)ccn1	1326573757	PQNUNIKEFVSNMT-VOTSOKGWSA-N	313.323	3.680	50	20	DHGD	
Cc1ncc(C(=O)NNc2ccc(C(C)C)cc2)c(C2CC2)n1	1330805591	RCULPXBWAUIERZ-UHFFFAOYSA-N	310.401	3.543	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccn(-c2ccccc2)n1	1337154707	ASEKQZDCYQHLBF-SSZFMOIBSA-N	313.360	3.971	50	20	DHGD	
O=C(Nc1ccc(-c2nncs2)cc1)C1CCC(Cl)CC1	1520146749	REQUBKQWXCAUFN-UHFFFAOYSA-N	321.833	3.941	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(F)(c2ccccn2)CC1	1548702054	DHGFUNDDBMDEPQ-UHFFFAOYSA-N	324.827	3.666	50	20	DHGD	
CC1(C)CCC[C@H](C=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045031	HLFWFSGZSORIRI-LBPRGKRZSA-N	317.389	3.709	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)nc2)cc1	1776127640	ZEPGNLMWKZMDDS-YBEGLDIGSA-N	320.348	3.522	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1c(F)cccc1F	78241957	DZGLSWKUTAUPBC-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CSc1cccc(NC(=O)c2c(C)nn(CCCl)c2C)c1	114111781	ZEHOVHZYFHTCOF-UHFFFAOYSA-N	323.849	3.713	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)ccc1OCC#N	124833231	CSYFCVCDFAJXIW-ZROIWOOFSA-N	312.369	3.510	50	20	DHGD	
O=C(CC[C@@H]1CCCO1)NNc1c(Cl)cc(F)cc1Cl	126143266	ZIGBGZGUHSLEJG-VIFPVBQESA-N	321.179	3.535	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1c(F)cccc1F	133527412	KCONKXWOHPRMQY-AWEZNQCLSA-N	312.360	3.536	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCCC[C@@H]1C(F)(F)F	160830814	VTIILURQCKSGCV-RYUDHWBXSA-N	318.314	3.946	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2cc(C)ccc2C)s1	178988254	CEYNMUZXRBFXKL-UHFFFAOYSA-N	303.431	3.778	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(OC)cc1)c1ccccc1	194866284	AADIXJPGFQWIOT-BLMOFCDVSA-N	320.392	3.870	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc2c(cc1SC)OCCO2	265945523	KGNNOYCLOLXKQH-HKMIMPICSA-N	317.410	3.702	50	20	DHGD	
C=C(CBr)CNC1(c2cccc(Cl)c2)CC1	381513259	YJLRLYLRXUIVTI-UHFFFAOYSA-N	300.627	3.870	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2)cc1	490781722	CPAWOJCITKPDMZ-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)CCCc2ccccc2)o1	727688963	KGGSFTQNDNOQTJ-YOEHRIQHSA-N	310.397	3.876	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CCSc2c(Cl)cccc21	731925453	FEJSYZFYTYAHJC-UHFFFAOYSA-N	322.739	3.609	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(C)c(O)c(C)c1)c1ccccc1	731931837	RAQRGFADFPEYGB-KRWDZBQOSA-N	310.397	3.653	50	20	DHGD	
CC(=O)NN=Cc1cc(C)c(OCc2ccccc2C)c(C)c1	734744874	ZRYADTROQANRBJ-UHFFFAOYSA-N	310.397	3.661	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@H]2CCCC[C@H]2C)c(C)c1	743765202	YXQMHLWHEIEHBT-CJNGLKHVSA-N	304.434	3.650	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNc1cc(Cl)nc(C)n1	747979411	DTJBVXIGJBOYES-LBPRGKRZSA-N	312.845	3.878	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1ccsc1	749099888	WGWLCLVIJMFADQ-UHFFFAOYSA-N	304.440	3.689	50	20	DHGD	
Cc1ccccc1C(=O)NN=C/C=C\c1ccc(F)cc1F	758094280	BKAJVTPKPVPARZ-VVPBXKMQSA-N	300.308	3.702	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1/C=C(/C#N)c1ccncn1	758914680	IKILUDDGFZOSAX-WMZJFQQLSA-N	306.152	3.856	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@@H]3C)n[nH]2)c1	764791006	YJFMWGIWVALJQC-ZDUSSCGKSA-N	310.401	3.599	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc(Cl)c1F	770091612	ZPQLMFNUBWINAW-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2cncc(F)c2)c(C)c1	781953029	HSJBXRCVSOHHCW-ZDUSSCGKSA-N	316.380	3.533	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@H](Oc2ncccc2F)C1	785837468	HWHQOHOXHARIJJ-LTKMBJGESA-N	323.371	3.629	50	20	DHGD	
N#C/C(=C/c1ccccc1F)C(=O)NCc1cccc(Cl)c1	786044022	DMNXLXJKOOFTDK-ZROIWOOFSA-N	314.747	3.702	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1	787457401	FDFBURHUYVWYSZ-VXGBXAGGSA-N	317.801	3.520	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)C2CCCC2)c1	794944434	GTCNNYXSLUIQIN-NTEUORMPSA-N	317.772	3.793	50	20	DHGD	
CC(C)n1ccc(NC(=O)NNc2ccc(C(C)(C)C)cc2)n1	797681475	JXVRVRGBQZYMLW-UHFFFAOYSA-N	315.421	3.910	50	20	DHGD	
COc1cc(C)c(NC(=O)NNc2cccc(C#N)c2)c(C)c1C	806762905	HWOXUBKASNNRKL-UHFFFAOYSA-N	324.384	3.641	50	20	DHGD	
CSSCCNC(=O)N[C@]1(C)CCCc2ccccc21	806812406	JEAHGWLQYPDHCE-OAHLLOKOSA-N	310.488	3.549	50	20	DHGD	
CC[C@H](C=NNC(=O)COc1cccc(C)c1)c1ccccc1	814717077	ZULRHAYGCUSLTB-MRXNPFEDSA-N	310.397	3.670	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)CSc1ccccc1O	814969018	HQBWMNFZIWEGGD-GFCCVEGCSA-N	306.431	3.557	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)C[C@@H](C)O1	834930200	AMKQQCJGABPIKS-UTUOFQBUSA-N	320.458	3.546	50	20	DHGD	
CN(NC(=O)c1coc2ccc(Cl)cc12)C(=O)OC(C)(C)C	846257784	ZMGVCGVORLVDKI-UHFFFAOYSA-N	324.764	3.598	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)[C@H]2CCC[C@H]21	853262276	OFDQFNAQHUUOOI-UONOGXRCSA-N	322.412	3.619	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(C)c(F)c1	856226248	WHIWRNJURRHRPF-UHFFFAOYSA-N	315.392	3.972	50	20	DHGD	
C[C@@]1(CNCc2ccc(OC(F)F)cc2)C[C@H]1Br	856806257	CNUDGEYPXZVMJJ-YPMHNXCESA-N	320.177	3.551	50	20	DHGD	
C[C@H](Cc1cccnc1)NCc1ccc(OCCCCl)cc1	897966838	HQDRUNOHXXRMEX-OAHLLOKOSA-N	318.848	3.810	50	20	DHGD	
Cc1nc(C)c(CNC(=O)NNc2ccc(Cl)cc2C)s1	920480801	HBYVGMCKHSOGJC-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
CCCCNC(=O)NN=CC(c1ccccc1)c1ccccc1	920753011	WNNVGNXVLVJESP-UHFFFAOYSA-N	309.413	3.904	50	20	DHGD	
O=C(CCl)Nc1ccc(NC(=O)Nc2ccccc2)cc1	1116437461	DEKXCTHZPYNSBH-UHFFFAOYSA-N	303.749	3.508	50	20	DHGD	
N#CCc1ccc(OCc2cccc(NC(=O)CCl)c2)cc1	1253963016	IOYXFQXEBCNIOC-UHFFFAOYSA-N	314.772	3.509	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2OC)cc1	1317913663	YXRLIPQWJDTKNP-GDNBJRDFSA-N	322.364	3.509	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)cc1O	1320030385	HHLYFUORVQJYHD-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
N#C/C(=C/c1scnc1C1CC1)c1nc(N)c2ccccc2n1	1324772757	NIUIOSMKOVKFIO-XFFZJAGNSA-N	319.393	3.610	50	20	DHGD	
CCc1ccc([C@@H](COC)NC(=O)c2cccc(CCl)c2)o1	1353596535	KWNMWUQCLYCTGG-OAHLLOKOSA-N	321.804	3.698	50	20	DHGD	
CN(Cc1cccc2[nH]ccc12)C(=O)C1CCC(Cl)CC1	1548693894	MWIHKHFPWHYJDC-UHFFFAOYSA-N	304.821	3.924	50	20	DHGD	
COc1cc(NC(=O)NNc2ccccc2Cl)cc(OC)c1	91985122	BPIOTAFZGHVUNY-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
O=C(CC1CCCC1)NNc1ccc(OCC(F)(F)F)cc1	124808876	HCVSADHIAYSLDH-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)CCC(C)(C)C	133387940	XGKMDIHIYWNTNA-ZDUSSCGKSA-N	320.437	3.546	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1CCCC[C@H]1C(F)(F)F	154333484	AROCUNPOQUDVPV-NWDGAFQWSA-N	304.287	3.638	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc(F)c(F)cc1F)c1ccccc1	255863737	SUQZAYZIJKNZGK-GHXNOFRVSA-N	316.282	3.674	50	20	DHGD	
N#CC1=CCN(C(=O)C2(Sc3ccccc3)CCCC2)CC1	270910436	HFRPMFYQCWSKQT-UHFFFAOYSA-N	312.438	3.774	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc3c(c2)CCCCC3=O)c1	289727798	IWQMIWDIMHDSBF-UHFFFAOYSA-N	308.381	3.661	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C#N)cc1F	490755827	WYWUWGNMKQAEEW-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(F)c(F)c(F)c1)c1ccccc1	731931824	QRAIJODLBQKESZ-ZDUSSCGKSA-N	320.314	3.748	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccc(Cl)cc2F)o1	747643854	RMQVSWKVKWDRRR-ZANVPECISA-N	320.751	3.959	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2C[C@H](C)C[C@@H](C)C2)cc1OC	747741042	MASAZOMEYHZWCJ-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1ccc(F)cc1C	748561407	GYCFVEOKSTXZQK-INIZCTEOSA-N	316.376	3.743	50	20	DHGD	
COc1ccccc1C1(C(=O)NNc2ccc(Cl)cc2)CC1	749276202	KVBJGTUUFOEZQJ-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
C[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)Cc2ccccc21	766974545	CYEGKMVDSFJYAG-FZMZJTMJSA-N	324.262	3.942	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)c1c[nH]c2ccccc12	767363187	XHKOMKUGVITTTF-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
CC(C)[C@@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	768165210	GKQYJGYENXAZNP-RYUDHWBXSA-N	304.272	3.833	50	20	DHGD	
COc1ccc(CCC=NNC(=O)c2ccccc2C)c(C)c1	777430930	UGOUBUNZIBQCRQ-UHFFFAOYSA-N	310.397	3.660	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1nc2ccc(OC)cc2cc1C	778476412	NMMBZIIGZQRLQL-GFCCVEGCSA-N	315.417	3.821	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1F	780671853	YGCVZUHIZWZPDZ-RKDXNWHRSA-N	306.303	3.970	50	20	DHGD	
CC[C@@H](c1ccccc1)N(CC)S(=O)(=O)CCCCCl	780748303	MFTZNRFNFXTKAV-HNNXBMFYSA-N	317.882	3.808	50	20	DHGD	
Cn1c(/C(C#N)=C/c2scnc2C2CC2)nc2ccccc21	782305429	IWRKSRWLAGUUNE-XYOKQWHBSA-N	306.394	3.971	50	20	DHGD	
CC(C)CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCCC1	787268636	YJXGIHXTKZTIKC-WJDWOHSUSA-N	312.413	3.726	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1ccccc1Cl	790657532	UWFBNUIALVQYFW-VIFPVBQESA-N	304.868	3.711	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)c1ccc2ncccc2c1	794964552	DOSIBIQLZOMYPP-RIYZIHGNSA-N	305.362	3.790	50	20	DHGD	
CN(CCc1ccccc1[N+](=O)[O-])/C(=C\C#N)c1ccccc1	796113133	LWYUQFOADLLQMQ-BOPFTXTBSA-N	307.353	3.634	50	20	DHGD	
Cc1oc(C#N)cc1C(=O)NNc1cc(Cl)ccc1Cl	797949114	HDTJRGMKOIHKHY-UHFFFAOYSA-N	310.140	3.523	50	20	DHGD	
CC(C)c1ccc(OCCC(=O)N(C)CC(Cl)Cl)cc1	808247180	SGXAMTAZCIEINU-UHFFFAOYSA-N	318.244	3.841	50	20	DHGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	809147956	YPRIRNHBLLGYOV-UYRXBGFRSA-N	321.376	3.639	50	20	DHGD	
C[C@H]1C[C@@H](CNCc2ccc(OCCCCl)cc2)CCO1	811487061	STCSKWXWOKRWJM-HOCLYGCPSA-N	311.853	3.599	50	20	DHGD	
Cc1ccoc1CNC(=O)NNc1c(C)cccc1C(C)C	813842157	DERCAZYJLFMDEW-UHFFFAOYSA-N	301.390	3.846	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)CSc1ccccc1O	814968792	FUBZOHWWQVKQFC-UHFFFAOYSA-N	306.431	3.557	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2cc(C(F)(F)F)ccn2)c1	832963282	VENWOKLVCZTCHD-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
C[C@H]1CC[C@@](C)(C(=O)NNc2cnnc3ccccc23)C1(C)C	839684857	QQLJBWGCPYOBAH-SGTLLEGYSA-N	312.417	3.535	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	841619478	NSVXPAUMHIVRKS-UHFFFAOYSA-N	323.400	3.575	50	20	DHGD	
CCc1nnc([C@@H](C)N(C)CCO[Si](C)(C)C(C)(C)C)o1	844343113	CCKCMXSNMDUHTI-GFCCVEGCSA-N	313.518	3.647	50	20	DHGD	
O=C(CC[C@H]1CCCO1)NNc1ccccc1Cc1ccccc1	846464627	QGJZZZUREVNSCY-GOSISDBHSA-N	324.424	3.680	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)c1cccc(C2CCC2)c1	855465975	FILZMYFKFKAKGF-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2ncccc2Cl)cc1C	857127204	NQNOCNDYVAMGLR-UONOGXRCSA-N	315.804	3.599	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2cccc(F)c2Cl)C1	862506680	GTZIEDRYXIPINF-MNOVXSKESA-N	314.788	3.518	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2cccc(C)n2)cc1	862525144	FWDHSDOHVNKGIN-UHFFFAOYSA-N	313.401	3.716	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081163	AFFIBIWEWZSZKH-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
N#C/C(=C/c1csc(C(F)(F)F)c1)C(=O)[C@H]1CCCOC1	863189572	BSOKASYFCOHGJM-ZQJWYQMXSA-N	315.316	3.670	50	20	DHGD	
Cc1nc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c(C)o1	912582475	QAFQFOXCGINLCO-CYBMUJFWSA-N	324.497	3.528	50	20	DHGD	
CCCCCCCC(=O)NNC(=S)Nc1cccc(C)c1C	913478999	FXMHCQJVGUIUGV-UHFFFAOYSA-N	321.490	3.982	50	20	DHGD	
CCOC(=O)NN=C(CC)c1cc(Cl)cc(Cl)c1O	916621288	NUSHMYDRXHKCGQ-UHFFFAOYSA-N	305.161	3.559	50	20	DHGD	
CC(C)CCOc1ccc(C=NNC(=O)CC(F)(F)F)cc1	917552003	WTDRPHKUJVGWEP-UHFFFAOYSA-N	316.323	3.514	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)c2c(C)noc2C)cc1Cl	1325092635	UUEJOHQNTNLXFR-UHFFFAOYSA-N	321.808	3.674	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cnn(C2CCCCC2)c1	1334532012	XEEJGHNEDZKOEJ-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C(=O)O)cc2)c(C)c1	6209821	TWCDSPRTCKYWQV-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	55040157	BQQFVVLYTFIUSN-JLHYYAGUSA-N	309.325	3.518	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)c1	60422023	YJJPZBFLSCUDHV-OVCLIPMQSA-N	322.320	3.707	50	20	DHGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)Nc1ccccc1	109707497	FACRVMJFFVFCCY-RVDMUPIBSA-N	315.332	3.887	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C(C)C)nc3onc(C)c23)c1	122205764	SJBVCXMLGUCGNW-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(C)c1	127987198	CYODZNQLOABMBI-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1cnccc1CCNC(=O)CCCC[C@H]1CCSS1	131910291	UPADRABDYHFFIQ-HNNXBMFYSA-N	324.515	3.763	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(OCC3CC3)cc2)c1	150801890	XQTUMKVTCCEPDR-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cc(F)cc(OC)c1)c1ccccc1	156559957	PRKHGSOHBKFVEB-QGZVFWFLSA-N	316.376	3.861	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	173014857	IAMHVAFWLWZMOY-UZUMKDMXSA-N	320.392	3.617	50	20	DHGD	
CCn1nccc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	178865574	UZHKZGWRWMSVSQ-CSKARUKUSA-N	320.179	4.000	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnc(C(C)(C)C)s1	184369245	WJNSQEQQOOZOJF-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2ccccc2C)c1	192731943	QOGBIRWFHPVKMQ-UHFFFAOYSA-N	300.427	3.680	50	20	DHGD	
N#C/C(=C/c1ccc(OC[C@H]2CCCO2)cc1)c1ccccn1	192924360	XVMXJGKIMKNIJF-XSVZSIDJSA-N	306.365	3.704	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)cc1	252460010	AWEHFCDNVFQYBS-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccnc2Cl)cc1	255004923	ONPMFGAIFDQXLP-UVTDQMKNSA-N	311.772	3.843	50	20	DHGD	
COC(=O)N(C)N=C1CCC[C@H]1c1ccc(OC(C)C)cc1	496531818	GLCBJISPPLXNPJ-HNNXBMFYSA-N	304.390	3.796	50	20	DHGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)c1sc(N)nc1C	728157517	YJEHTEFUOPMDJY-GFCCVEGCSA-N	322.478	3.890	50	20	DHGD	
Cc1ccc2c(c1)CCC2=NNC(=O)c1cccc2ncccc12	730145827	RLRADSLYFQSZIQ-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=CC2CCCCCC2)o1	741839386	FOCVXPUAIADPBC-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)NC1CCCCC1	741840269	MJRFJROVKPMTIJ-JLHYYAGUSA-N	312.344	3.928	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2ccc(Cl)nc2)cc1	743818234	ONULAUDZFIQKAF-UHFFFAOYSA-N	317.820	3.900	50	20	DHGD	
CC(=NNC(=O)c1cn(C)c2ccccc12)c1cccc(C)c1	744781757	FFPVUVBBMUUNHV-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1ccccc1F	748049223	FMUZGMCWUNDHSK-UHFFFAOYSA-N	323.371	3.897	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1cc(C)ccc1C	748427822	MOHUJTLVXCXCKW-QGZVFWFLSA-N	304.434	3.874	50	20	DHGD	
CC1CCN(C[C@H]2CCCN(/C(=C/C#N)c3ccccc3)C2)CC1	750802067	UTDGOFXQIALUTQ-SMZVVKKCSA-N	323.484	3.995	50	20	DHGD	
N#C/C(=C\c1ccccc1C1CC1)C(=O)NCCc1ccccc1	750817734	JKOIQIUIACWCGI-XMHGGMMESA-N	316.404	3.830	50	20	DHGD	
C[C@@H](CC(=O)NN(C)c1ccccc1)c1ccc(F)cc1F	752610028	GOEJGHQAGYPMFJ-LBPRGKRZSA-N	304.340	3.626	50	20	DHGD	
CCSc1ccc(C(C)=NNC(=O)c2ccccc2O)cc1	755482628	ZENCINAWQAQKDV-UHFFFAOYSA-N	314.410	3.658	50	20	DHGD	
CC(C)C(=O)NN=Cc1ccc(Oc2cccc(F)c2)cc1	766433842	PLRKDJPFSMFDAT-UHFFFAOYSA-N	300.333	3.724	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cnc(C2CCCC2)s1	767782335	IOBQHHUUOIFFBT-UHFFFAOYSA-N	305.447	3.831	50	20	DHGD	
CC1CC(C#N)(C(=O)NNc2c(Cl)cc(F)cc2Cl)C1	768010107	ZULRQZWGDHXJHG-UHFFFAOYSA-N	316.163	3.515	50	20	DHGD	
CSc1ccncc1NC(=O)[C@@H](Br)C(C)(C)C	768238661	SGTBIGZNZJHLCM-SNVBAGLBSA-N	317.252	3.552	50	20	DHGD	
CC(=NNC(=O)Cc1ccncc1)C1(c2ccccc2)CCCC1	774391355	AHFSUZHTPFOZLM-UHFFFAOYSA-N	321.424	3.628	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1cc(Cl)ccn1)c1ccccc1	778597018	LRGMAGSQVYNVHY-CQSZACIVSA-N	318.808	3.903	50	20	DHGD	
CCC(=NNC(=O)c1cccnc1)c1cccc2ccccc12	780187456	UVGRDXSZWXWDJO-UHFFFAOYSA-N	303.365	3.779	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc3cnccc3c2)cc1	782151771	KRSUYOQJZRXZCW-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
C[C@H](CCSc1ccccc1)OC(=O)/C(C#N)=C/C1CC1	786679119	JXSGOLJSRDZZPE-WDGDVPDHSA-N	301.411	3.960	50	20	DHGD	
COc1ccc2nc(/C=C(/C#N)C(=O)C3CCCC3)sc2c1	788689368	NOLYIFWFNMOPMZ-WQLSENKSSA-N	312.394	3.971	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCC23CCCC3)cc1C	788700095	OOVRKMBJSGDRTL-UHFFFAOYSA-N	300.402	3.509	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1c(F)cccc1F	790805034	VBQRKQFEOOOLFJ-UHFFFAOYSA-N	304.340	3.920	50	20	DHGD	
CO[C@]1(C)CCCN(C(=O)CCCC[C@H]2CCSS2)C1	792504328	IDWXWQRERXMWCK-DZGCQCFKSA-N	317.520	3.728	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@@H](CC#N)c2ccccc2)c1	793705560	DGYVYVJMZIRCSB-QGZVFWFLSA-N	307.397	3.834	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2Cc3ccc(F)cc32)cc1	793798241	CZZHAYYEJDXSFN-QGZVFWFLSA-N	312.388	3.906	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(N(C)C)cc1C(F)(F)F	794875309	OYWQCFIHKBEJNJ-KPKJPENVSA-N	310.319	3.903	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCC[C@@H](c2cccnc2)C1	799873404	QSAZADUHEJOUPQ-OAHLLOKOSA-N	307.397	3.834	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNC(=O)Nc2ccccc2)cc1	801990401	IJWPNQUCEIHNPH-CYBMUJFWSA-N	311.385	3.667	50	20	DHGD	
O=C(Cc1ccc(-c2ccccc2)cc1)NNc1cccc(F)n1	804773364	VBQHQYBSPDAQSY-UHFFFAOYSA-N	321.355	3.574	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCCc2occc2C1	808797337	NKAKJBIWKGMAPS-FRKPEAEDSA-N	309.325	3.501	50	20	DHGD	
ClCCCOc1ccc(CN2CCOCC23CCCC3)cc1	811465812	OIRUDCGJEDJFEQ-UHFFFAOYSA-N	323.864	3.839	50	20	DHGD	
CSC(C)(C)CNCc1ccc(OCCCCl)cc1	811481685	JQRQKACCWGOWMC-UHFFFAOYSA-N	301.883	3.926	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CC(=O)c2ccccc21	812765954	APIGJVXTGPQBBL-KRWDZBQOSA-N	322.408	3.932	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)COc1ccccc1F	812767998	ACRVZZLJIBKQHO-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
CO[C@H](C)C(C)=NNC(=O)Nc1ccc(Cl)cc1Cl	814996192	UEXJUBIMVOCBDR-MRVPVSSYSA-N	304.177	3.526	50	20	DHGD	
O=C(CCc1cncs1)NNc1c(Cl)cccc1Cl	815817840	LKZPWVPPTZMQHG-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1ccc(SC2CCCC2)c(C(=O)NN(C)C2CC2)c1	819650438	LSXOXFRKQJIRHA-UHFFFAOYSA-N	304.459	3.769	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CC=CCC1	827522110	ZNTRGKOKNUSFEY-HNNXBMFYSA-N	323.318	3.767	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823285	RMWIZAMGQMQXSR-LKFCYVNXSA-N	311.769	3.518	50	20	DHGD	
CCOc1ccc(C[C@@H](C)C(=O)NNc2ccc(C)cc2)cc1	839498045	LKXQGNCOQQCFMO-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H]2C=CCC2)c(C)n1CC(C)C	855421620	IJQVKDUOWYQBTR-LTXFRBGYSA-N	311.429	3.503	50	20	DHGD	
O=C(NN=Cc1cccc([N+](=O)[O-])c1)c1ccc2ccccc2c1	864010204	QQWDHQZLZQSSQC-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc(F)ccc1F	899892659	FRPCFYRPKITWNO-UHFFFAOYSA-N	307.252	3.709	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2C)c1	915842931	WJKBTYNHWGGEFS-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccc(-c2ccccc2)s1	1117509921	ROBZTDBZYVHWMB-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(N(C)C)cc1	1318442367	NKCBHHWZPAUMFN-UHFFFAOYSA-N	315.804	3.560	50	20	DHGD	
CN(C)[C@H](CNC(=O)c1cccc(CCl)c1)c1ccsc1	1335637419	KSJCMVRDUHNYPC-OAHLLOKOSA-N	322.861	3.520	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)cc1	1777433680	UHERMPURFYAPEU-RIYZIHGNSA-N	309.296	3.622	50	20	DHGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cccs1)C(=O)O	7155456	DHCOQAZDRODVKV-FMIVXFBMSA-N	321.361	3.592	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/C=C/c1ccccc1[N+](=O)[O-]	8237989	IEBADTQZSFAWRL-BOGGDHRQSA-N	308.293	3.842	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(Br)c2)c1	72514472	FHFLSQGIETTXPY-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
C[C@H](C(=O)NNc1cccnc1Cl)c1ccc(Cl)s1	85682926	PARZWQFJNVJUED-ZETCQYMHSA-N	316.213	3.697	50	20	DHGD	
C[C@H](CC(=O)NNc1ccnc2ccccc12)c1ccccc1	106925277	JEEBPDYLZQDEAN-CQSZACIVSA-N	305.381	3.872	50	20	DHGD	
Cc1cccc(NNC(=O)CCCOc2ccc(F)cc2F)c1	109426744	FLEXGZHOLWUTDN-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1	113432154	PVAVJCORVGPXPF-LBPRGKRZSA-N	304.340	3.992	50	20	DHGD	
Cc1ccccc1NNC(=O)Cc1ccc(Cl)cc1Cl	120316464	UNUGELHKSMCSDP-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cc2cnn(C(C)C)c2nc1Cl	128086408	NCCNPGIRXDTCGC-XGICHPGQSA-N	316.792	3.798	50	20	DHGD	
Cc1n[nH]c(C)c1[C@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	133592198	ZMTYBLCWWHUHEU-NSHDSACASA-N	314.433	3.571	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)NNc1cc(C)ccc1F	150793726	XLMQWKGKVYSFHW-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)o1	153752961	YWOVVUDKSGNCPB-UHFFFAOYSA-N	304.655	3.709	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cc(Br)ccc1F	192734557	IGXZSMUQPHBJQZ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C/C(C=NNC(=O)CNc1ccc(C)cc1)=C/c1ccccc1	254413957	FZZWUYUEUFSGJO-WIAARXSLSA-N	307.397	3.612	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	727251933	LLZIBCVHHHHWTG-LBPRGKRZSA-N	303.362	3.671	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)c2c(c1)C[C@H](C)O2	728439128	FLDSOOPUFZOPOH-BXRZMRDGSA-N	323.348	3.710	50	20	DHGD	
CCOCC(=O)NN=C(C)c1ccc(SC2CCCC2)cc1	731152584	LMQMCCXGJDFXIL-UHFFFAOYSA-N	320.458	3.598	50	20	DHGD	
CC(C)(C)CCC(=O)NNC(=O)c1cc2c(s1)CCCCC2	737771689	DHGLZOFIOCYURK-UHFFFAOYSA-N	322.474	3.604	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(OC)c(Cl)c2)cc1	741458406	YRIKVPGSQKXGOX-UHFFFAOYSA-N	316.788	3.675	50	20	DHGD	
C[C@@H](CNC(=O)NNc1ccc(F)cc1)Sc1ccccc1	745901475	JNNBFFMIPRSMNY-LBPRGKRZSA-N	319.405	3.633	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccccc2Br)C1	748065954	JSDGHISYZDKAST-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
CCC/C=C\C(=O)NNc1ccc(Br)cc1Cl	748784447	PNTJDBIXXOSTOD-PLNGDYQASA-N	317.614	3.902	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1ccc(Cl)cc1	749273086	AESHCOZNIFPOGY-INIZCTEOSA-N	318.804	3.949	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccccc1N1CCCCC1	749449227	DMKVMRBSRVGWPW-UHFFFAOYSA-N	313.445	3.707	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)CC[C@H](C)c2ccccc2)cc1	749605168	MZTHYMOJKNSITB-HNNXBMFYSA-N	324.424	3.594	50	20	DHGD	
O=C(NN=Cc1cc(F)c(F)c(F)c1)c1cc2ccccc2o1	749818449	XAYNOQSFLXKNDW-UHFFFAOYSA-N	318.254	3.614	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C[C@H]2CCc3ccccc32)cc1	755746086	SWAZKBKZLWTZOJ-OAHLLOKOSA-N	322.412	3.590	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc3c(c2)COC3)cc1	756187052	PYHXRYBXTMMIDM-UHFFFAOYSA-N	324.424	3.700	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(F)c(C#N)c2)cc1	758912824	KVIYSJWIYPUNRX-CAOOACKPSA-N	320.323	3.656	50	20	DHGD	
CCC(CC)(CC)C(=O)NNC(=O)c1cccc2ccccc12	760561814	IMIVEMSCORDWRW-UHFFFAOYSA-N	312.413	3.817	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1c(F)cccc1Cl	770196847	BRRXCBQJQNZPTD-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)CCc1cccc(F)c1	771706045	BJFZRNZCOOFILQ-CYBMUJFWSA-N	318.367	3.985	50	20	DHGD	
N#CSCCCNC(=O)C1(c2cccs2)CCCCC1	773572674	WOKZPFYAFJBPGE-UHFFFAOYSA-N	308.472	3.671	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2c(C)nn(C)c2Cl)ccc1[N+](=O)[O-]	774560474	YONOPDVAGNDLGJ-KPKJPENVSA-N	316.748	3.663	50	20	DHGD	
N#C/C(=C\c1csc(-c2ccccn2)n1)C(=O)C1CCCC1	781555634	MOGDBYSMAASRBA-UKTHLTGXSA-N	309.394	3.871	50	20	DHGD	
C=C(CBr)CN1CCC(c2ccccc2F)CC1	791460053	GJORRWWAEZWHQU-UHFFFAOYSA-N	312.226	3.956	50	20	DHGD	
C=C(CBr)COC(=O)c1c(F)cccc1SC	798750915	JWDMZOZFAOOEAB-UHFFFAOYSA-N	319.195	3.656	50	20	DHGD	
C/C(C=NNC(=O)C1CCCC1)=C\c1ccccc1OC(F)F	811638465	OZZQIKRABBBZQB-LZMWDKRLSA-N	322.355	3.984	50	20	DHGD	
CC(C)(C)c1cnc(C=NNC(=O)CCc2ccccc2)s1	814826303	WZGMPUSYQZVXQC-UHFFFAOYSA-N	315.442	3.524	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(SC)s2)cc1	814997700	AGGRAUMCPMOITI-UHFFFAOYSA-N	321.427	3.634	50	20	DHGD	
COc1ccc(NC(=O)NN=CC[C@@H](C)c2ccccc2)cc1	814998317	DLHUITYERLFSMW-CQSZACIVSA-N	311.385	3.996	50	20	DHGD	
CC(C)[C@@H](NCCO[Si](C)(C)C(C)(C)C)C1(CO)CCC1	815254013	DLOGIRHQQVCFMK-OAHLLOKOSA-N	315.574	3.785	50	20	DHGD	
Cc1ccc2nc(C(=O)NNc3ccc(F)cc3F)ccc2c1	815852935	ODTQWMOSTGDZLA-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(C)(F)F)cc2)c1	815857646	NCDYUVBISYSNLP-UHFFFAOYSA-N	324.302	3.703	50	20	DHGD	
CCCCCC(=O)NNc1ccc(OC)cc1C(F)(F)F	816703321	ZBYAJDSYHXNIEW-UHFFFAOYSA-N	304.312	3.737	50	20	DHGD	
O=C(CCCc1ccc(Cl)cc1)NNc1cccc(Cl)n1	817007427	BNOHUZZGRVZKJU-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
C[C@H](c1ccc2ccccc2c1)N(C1CC1)S(=O)(=O)CCl	830184371	BSJVEPNDEQGQLO-GFCCVEGCSA-N	323.845	3.891	50	20	DHGD	
CC[C@@H](C)[C@@H](C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834932036	DQEAHDHOBQXSDD-NOZJJQNGSA-N	317.216	3.770	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1ncc(F)cc1F)c1ccccc1	837366031	SAQMDCLKQLFJAM-CQSZACIVSA-N	320.343	3.527	50	20	DHGD	
CCOC1CC(CN(C)CCO[Si](C)(C)C(C)(C)C)C1	844344532	AWAROMHUGXOVBW-UHFFFAOYSA-N	301.547	3.755	50	20	DHGD	
CCc1cccc2cc(/C=C(/C#N)C(=O)C3CCOCC3)oc12	849248504	TYAIUKROVRGLDK-WJDWOHSUSA-N	309.365	3.898	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855469316	AHAOCVLNCQSDPJ-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
CCC(CC)(C(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093280	RWLSKHNKXCKKQD-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
CC[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(F)cc1O	857083798	ZZCGNFOWAWAOFE-IACUBPJLSA-N	316.214	3.746	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc3sccc3c2)C[C@H]1Br	857395017	VMFGMPHYBIEGEM-TZMCWYRMSA-N	324.243	3.805	50	20	DHGD	
C[C@@H](NNC(=O)C(C)(C)c1ccc2ccccc2c1)C(F)(F)F	862314213	XVZKJUHCXOGCQG-LLVKDONJSA-N	324.346	3.689	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081527	NDFOXEKYRBXBSF-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cc1C	871599161	KZIDDOBCSPMONU-FEEIMYBTSA-N	313.397	3.687	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(F)cc2Cl)cc1C	885137405	WWMHKTKANMXQBU-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2cc[nH]c2)C1	897966133	NKFDVEPJYKBWFT-CQSZACIVSA-N	308.498	3.641	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C#N)ccc1Br	899344732	WUVMYEMLAUPLOP-QVASGMJFSA-N	317.186	3.843	50	20	DHGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cn(CC)nn2)CC1	899361758	YUFGQIZOGNZLLN-WJDWOHSUSA-N	314.433	3.771	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)c(C)c1	915922419	OWHRPZUGJVMYCG-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1oc2ccccc2c1C	916265239	BMDKLHZHJBTCEN-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
Cc1nc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)cs1	916278827	XQVNGZQBFIZTKT-UHFFFAOYSA-N	317.458	3.508	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2c[nH]c3ccccc23)cc1	916285962	RYKGUMPFUZVHHT-UHFFFAOYSA-N	305.381	3.884	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)C1CCCCC1	916340327	SBYCYGDCTNMCQW-ZDUSSCGKSA-N	306.381	3.665	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C2\COc3ccc(F)cc32)c(C)c1	918154219	HEEBODPLIGWPPG-FOCLMDBBSA-N	322.339	3.751	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2cc3ccccc3o2)cc1	920379710	HOPLCMMNSFAJLM-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1ccc(-c2cccs2)cc1F	920828858	USNLJTSBZHFVFZ-UHFFFAOYSA-N	317.389	3.597	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3ccc(F)cc3)sc2n1	1123610854	NVQIGMOULMOEKD-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(C)c(Cl)c2)CCO1	1319988091	USOKKSNCDYNIDE-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
O=C(CCl)N[C@@H](c1ccc(Cl)cc1)c1ccsc1	1323268264	ABCMPEKPDSZDQI-ZDUSSCGKSA-N	300.210	3.846	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2)cc1OC	7164680	RFLLLYOEQGJALW-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2Cl)o1)C(=O)NC1CC1	28496237	UWFDXNUIPCAYFD-PKNBQFBNSA-N	312.756	3.786	50	20	DHGD	
Cc1noc(C)c1CNC(=O)CCCC[C@@H]1CCSS1	67831626	BRXIFKUGUGJPOA-GFCCVEGCSA-N	314.476	3.622	50	20	DHGD	
O=C1OC(=O)c2cc(Oc3ccc(C(F)(F)F)cc3)ccc21	100160878	HRMUBQVIRYTWMF-UHFFFAOYSA-N	308.211	3.808	50	20	DHGD	
CCn1c(C(=O)NNc2c(F)cccc2F)cc2ccccc21	118509779	UEJSPDGFAZUDAD-UHFFFAOYSA-N	315.323	3.696	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc2oc(C3CC3)nc2c1	119912464	WOBQXLRJACAOQH-UHFFFAOYSA-N	308.341	3.854	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc(Cl)nc1	132698891	PTYNBKHBPOPXRI-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C[C@H](CBr)CN(C)Cc1nc2ccccc2s1	133588591	ZRPQCEWCFLMSHF-SNVBAGLBSA-N	313.264	3.759	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCCCCc1ccccc1	141386142	YOEXFIPEEPDNEU-JXAWBTAJSA-N	322.383	3.872	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2Br)cc1F	153499901	ICNMODXPFFEJSA-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2ccc(Cl)cc2)CC1	154138678	HHVCLCSETNZUAK-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccncc1Cl	154491932	PHZFEGKYYURJRQ-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Br)c(F)c2)cc1	158785494	ABJBLYQLFLXSAQ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)NNc3cc(C)ccn3)c2)cc1	176776704	LJXUBIFRXOFVQH-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCc2ccccc2)cc1	178953407	VZSMZMBWFHNZJT-JQIJEIRASA-N	322.364	3.648	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccn(CCC(C)C)n1	184523594	LGVXHTVFQISUKF-UHFFFAOYSA-N	319.384	3.525	50	20	DHGD	
Cc1cccc(OCC(=O)NN=Cc2ccc3ccccc3c2)c1	254400419	MKPAPFHMURNAOT-UHFFFAOYSA-N	318.376	3.677	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)CCc2cccc(F)c2)cc1	267012714	OULQVADBUIJAQC-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
Cc1csc(CCCC(=O)NNc2cccc(Cl)c2)n1	282918373	IMGZMVAOPMVCNR-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C[C@H]1c1c(F)cccc1Cl	289079501	OAWOLJBZRMQEQR-RQJHMYQMSA-N	310.583	3.503	50	20	DHGD	
CCCN(Cc1ccccc1)C(=O)/C(C#N)=C/c1ccc(O)cc1	490912308	XILXTAWAGLBCNG-QGOAFFKASA-N	320.392	3.738	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccsc2Cl)cc1	491136309	VELHSADUWLZNHH-FLIBITNWSA-N	318.785	3.956	50	20	DHGD	
O=C(/C=C\c1cccc(O)c1)NNc1cccc(C(F)(F)F)c1	492736484	OFRUSTDMSZNERP-FPLPWBNLSA-N	322.286	3.568	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2nccc3sccc23)C1	734250152	OLEOQFYBWODAJG-VXGBXAGGSA-N	303.431	3.956	50	20	DHGD	
O=C(NN=C[C@H]1CC=CCC1)c1cccc(Br)c1	741771037	YNJORTHBDRPSRB-NSHDSACASA-N	307.191	3.521	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)c1ccc(Cl)cc1	744552794	XWLOFYYFTJQMES-UHFFFAOYSA-N	316.788	3.811	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NNc2ccc(Cl)c(F)c2)c1	746700450	UNJBSSZKQYTJFX-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3ccc(F)cc3C)CC2)c1	748570849	NJJXZWNXRBOQID-UHFFFAOYSA-N	312.388	3.926	50	20	DHGD	
O=C(/C=C\c1ccccc1F)NNc1ccc(Cl)c(F)c1	748874439	BNCYVNRIAGZLRA-YVMONPNESA-N	308.715	3.775	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2CC1	750047116	MVVSBTLOLMABOP-UWVJOHFNSA-N	319.364	3.560	50	20	DHGD	
C[C@H](NC(=O)NN(C)c1ccccc1)c1c(F)cccc1Cl	752022202	AVIGHPTVXNMNPK-NSHDSACASA-N	321.783	3.891	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNC(=O)c1ccc(C)o1	752781575	VKZOLPCCHQFWGK-QGZVFWFLSA-N	308.422	3.736	50	20	DHGD	
CS[C@@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)C(C)(C)C	752882273	CTBLYAVZWAXYTJ-CTXBLAANSA-N	320.433	3.627	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1nc(C(F)(F)F)cs1	755859816	MITAETRAYRHUFX-BDAKNGLRSA-N	321.368	3.821	50	20	DHGD	
CC(C)CC1(C(=O)NNC(=O)c2cccc3ccccc23)CCC1	756944821	DURXQEPJAKDAJJ-UHFFFAOYSA-N	324.424	3.817	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@@H](C)[C@H](C)C2)cc1	767370205	DPZSUQGAIMFCDT-ZIAGYGMSSA-N	302.418	3.556	50	20	DHGD	
Cc1ccc(CCCC(=O)OC[C@@H](C)CBr)s1	770393960	XGCFJXDUSHXHPP-JTQLQIEISA-N	319.264	3.953	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cccc(Br)n2)sc1C	777918996	PMOKATQNEHPZGY-UXBLZVDNSA-N	320.215	3.982	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](F)Cc2ccccc2)c(C)c1	778392314	KIGRUFKJBMTSEL-INIZCTEOSA-N	300.377	3.636	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)C[C@H](C)CC(C)C)cc1OC	779758532	ULZYDRVRYAOYOZ-CYBMUJFWSA-N	320.433	3.882	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3cccc(C#N)c3)s2)o1	782016371	CNQXOLOLJJYVFT-UHFFFAOYSA-N	323.377	3.945	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccc2cc[nH]c2c1	792579598	WKPXESLIVYUINF-XNTDXEJSSA-N	319.339	3.877	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H](O)CC[C@@H](C)CC	799759645	VCZKZLMRNKOTMQ-XJKSGUPXSA-N	306.450	3.578	50	20	DHGD	
CSSCCNc1nn2cc(-c3ccccc3)nc2s1	804700277	WMUMMOSUXBKLJK-UHFFFAOYSA-N	322.484	3.881	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)n2)sc2cccc(F)c12	804771145	IXMVJZKXHBHFFR-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
O=C(NNc1nccc2sccc12)C(C1CCC1)C1CCC1	806861254	KWVPSDSISNLMSQ-UHFFFAOYSA-N	315.442	3.956	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC[C@@H]1CCCCO1	813132016	GTVLQBSRANBTOQ-HNNXBMFYSA-N	319.449	3.704	50	20	DHGD	
CC1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC(F)(F)C1	821158540	MIFLYCVJYCEJTJ-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1ccc(C(C)(C)C)cc1	828550997	WLGWCQHHLBUJJI-FZMZJTMJSA-N	307.463	3.504	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(-c2ccc(F)cc2)n1	834399181	ZUZOSXJRRIMXAC-UKTHLTGXSA-N	311.360	3.748	50	20	DHGD	
Cc1ccc(NNC(=O)[C@]2(C#N)CC23CCCC3)c(Cl)c1	836935227	PGPBUMXTENYFBZ-MRXNPFEDSA-N	303.793	3.566	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(C(C)C)cc2)CCO1	837052685	JHVJEIGQJTUDEM-RHSMWYFYSA-N	304.434	3.848	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2cnc(F)cn2)C1	853896412	AYLYDRCKSOFQLK-GFCCVEGCSA-N	311.477	3.606	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccccc1OCC1CC1	855368059	XYHANQIFBZMGMH-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
C[C@]1(CNC/C=C\c2ccc(F)c(F)c2)C[C@@H]1Br	856810499	YKGWDVXHCBEGPX-KUHFFWNOSA-N	316.189	3.741	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)[C@H]1C[C@@H]1C1CC1	862517260	KLPMJXKFVOMSTG-MOPGFXCFSA-N	322.408	3.755	50	20	DHGD	
CON(C)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	875105011	PAXPAYLOASQPJG-LFIBNONCSA-N	315.417	3.537	50	20	DHGD	
N#CC1=CCN(C(=O)/C(F)=C/c2ccc(C(F)(F)F)cc2)CC1	901264840	CETBXBKTLZAHNK-ZROIWOOFSA-N	324.277	3.698	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)CCc2ccco2)c(C)c1	915913862	HZTNZFYGLKBUBH-HNNXBMFYSA-N	315.417	3.852	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@@H](C)Oc2ccc3ccccc3c2)o1	916336042	UCYGRPLNZJZNLH-CQSZACIVSA-N	322.364	3.659	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1cc(C)sc1C	916351318	HPXDDWVCVDWFAL-UHFFFAOYSA-N	304.390	3.587	50	20	DHGD	
CC[C@H](NC(=O)NCCSSC)c1ccc(F)cc1	1322992223	HYSIMBCGFFCRMW-LBPRGKRZSA-N	302.440	3.587	50	20	DHGD	
CCc1ccc(C(=O)NNc2cnnc3ccccc23)cc1CC	1323443433	DLBRKDNETNHARQ-UHFFFAOYSA-N	320.396	3.512	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCCC(=O)OC(C)(C)C	1326661978	REUSYFHDCDILHI-UHFFFAOYSA-N	320.433	3.513	50	20	DHGD	
Cc1cc(C)cc([C@H](O)CNC(=O)c2cccc(CCl)c2)c1	1347069570	PDKCSPRNIPKOMG-QGZVFWFLSA-N	317.816	3.506	50	20	DHGD	
C[C@H](Cc1ccc(O)cc1)N(C)C(=O)C1CCC(Cl)CC1	1521261215	OLVYPQIGVWFTKS-LRVUVFPRSA-N	309.837	3.579	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)CCC2CCCC2)c1C	15844594	PFAFSYVGTNPLIH-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(Cl)cc2cccnc12	55797080	OYNXSDJCRDTIGT-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Clc1cccc([C@@H](CBr)O[C@@H]2CCOC2)c1	82454957	FSITWVPEAMHKIT-VXGBXAGGSA-N	305.599	3.582	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc2[nH]ccc2c1	107546452	LNSPSZRDZIZGMO-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnn(C(C)(C)C)c2)c(C)c1	128034095	XHJAJPWVBCZKGX-SXGWCWSVSA-N	322.412	3.801	50	20	DHGD	
O=C(/C=C/c1cccc(F)c1)NNc1ccc(Cl)c(F)c1	130531967	LARJLXPKVIGGHR-QPJJXVBHSA-N	308.715	3.775	50	20	DHGD	
CCOc1cccc([C@@H](C)NC[C@@H](C)CBr)c1	152780935	XOINYKMTPKSFIL-NWDGAFQWSA-N	300.240	3.767	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1cccc(C(F)(F)F)n1	152902309	TYDLTQWGIRNJOY-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Br)cc2)c(F)c1	175078159	YTJXQUBJLZIFHS-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	175834348	VBZBGRXCXHCOFP-UHFFFAOYSA-N	318.204	3.582	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cc(C#N)cs1	176837614	YNZNUHCYUDRXCM-AUWJEWJLSA-N	307.378	3.782	50	20	DHGD	
CC[C@@H]1C[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	181118603	WOBHRFGVRUQOMD-XJKSGUPXSA-N	304.434	3.632	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@H](C)c1cccc(F)c1	184366556	FTAVDKPXJFKBQC-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1c(F)cccc1F)c1ccccc1	206853491	HQQVMNUGVJMHEC-GVIGZQTCSA-N	312.319	3.749	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1c(F)cccc1F	211481275	MMZFLJRFZADTBK-VAKJNQMVSA-N	304.340	3.567	50	20	DHGD	
O=C(/C=C\c1cccs1)NNc1ccc(C(F)(F)F)cc1	255338118	RHUVEUXUHVWRQT-FPLPWBNLSA-N	312.316	3.923	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CCO1	271876385	LLWSDCOTSQRFTO-WMZOPIPTSA-N	324.424	3.540	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	588386693	XJEDBFJPIOGSAT-RAXLEYEMSA-N	310.309	3.676	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NNc1ccnc2cc(Cl)ccc12	729515682	REUGMSCMUHHMDA-NSHDSACASA-N	321.808	3.537	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12	729638193	FIDYZRNMUDXEHX-QZWWFDLISA-N	321.424	3.570	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	730151027	HHCRUPINIWIWAS-WJDWOHSUSA-N	300.402	3.545	50	20	DHGD	
CC[C@H](CC(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	730289189	BATIHUIMQFYVLK-OAHLLOKOSA-N	319.408	3.684	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1oc2ccccc2c1C	731487934	KCRYXAIIRSKZBM-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(C)C2CCCC2)cc1OC	733076451	MCYPJEDIJMUHAV-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ncccc2Cl)o1	734247562	QGUAGUAGKPSEHT-PWSUYJOCSA-N	319.792	3.527	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2ncccc2C(F)(F)F)c1	740100434	NGNBHQSRVJBKTJ-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
Nc1cc(C(=O)NN(c2ccccc2)c2ccccc2)ccc1F	746413459	XUXJNEBODNEVGC-UHFFFAOYSA-N	321.355	3.891	50	20	DHGD	
Cc1ccccc1N1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	750790665	DRNGUVYIOVRTKN-KEBDBYFISA-N	321.399	3.821	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2ncnc3ccsc23)CC1	753657720	YZMRAXSNYGTGPZ-HAQNSBGRSA-N	318.446	3.597	50	20	DHGD	
C[C@H]1CCC[C@@H]1NC(=O)NNc1cc(C(F)(F)F)ccc1F	754641995	UFUAKTHYAHDFNQ-KWQFWETISA-N	319.302	3.659	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1c[nH]c2ccc(C#N)cc12	760242272	HUBPNSSRLQVQEJ-UHFFFAOYSA-N	317.352	3.504	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCC1	761591884	YCNZWTOAABDUDS-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(F)c(F)cc1F)c1ccccc1	767782232	NCHNYQMAPDWTHD-ZDUSSCGKSA-N	320.314	3.748	50	20	DHGD	
COc1ccc(C(=O)NNc2ccccc2Cl)cc1C1CC1	768093469	MEDKHEBUMGGMDI-UHFFFAOYSA-N	316.788	3.983	50	20	DHGD	
CC(C)C[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768497202	WEQZULWWXWXWTM-OAHLLOKOSA-N	322.412	3.836	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(F)cccc2Cl)c(F)c1	770203854	VGDYVWIQPXKRKS-UHFFFAOYSA-N	324.714	3.578	50	20	DHGD	
C[C@H](CBr)CN(CCc1ccc(F)cc1)C1CC1	770654946	VRBQCHZCWIENBH-GFCCVEGCSA-N	314.242	3.864	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC3(CCCCC3)C2)cc1	773723794	FPANZMDSTXKIFN-ATVHPVEESA-N	324.424	3.785	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2c(F)cc(Cl)cc2F)c1	775384632	DUDGEDPWKPQMPH-UHFFFAOYSA-N	322.702	3.638	50	20	DHGD	
N#Cc1c(F)cccc1C(=O)NNc1cc(Cl)ccc1Cl	779011553	KQRRIJKYDFEBAF-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)c2ccc(O)cc2)C1	780188491	SIIRVMIWWOQFPN-IBGZPJMESA-N	308.381	3.620	50	20	DHGD	
N#CC1=CCN(C(=O)C2(c3c(Cl)cccc3Cl)CC2)CC1	780686700	FZGRIDVXBSFPHD-UHFFFAOYSA-N	321.207	3.707	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCc1cccc2cc[nH]c12	787366483	KTMGMUZPYGQFIC-CYBMUJFWSA-N	323.234	3.594	50	20	DHGD	
CSSCCNC(=O)N[C@@H](c1ccccc1)C1CCC1	790708455	HQLUFGBYHCHCBT-AWEZNQCLSA-N	310.488	3.838	50	20	DHGD	
Cc1cccnc1NNC(=O)C(C)(C)CCCc1ccccc1	791215369	RHOIIJOAYLYXEW-UHFFFAOYSA-N	311.429	3.882	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@H](C(C)C)C2)cc1OC	794455038	DGJQJKPARMTPKT-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)n1cnc2ccccc21	799754738	CRHXCCDISOLNDR-CQSZACIVSA-N	322.412	3.611	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)cc([N+](=O)[O-])c1	799757395	UYVDOSONAFHPAP-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccsc2)c(C)c1OC	806554250	OHELIVZPTBTQOM-RIYZIHGNSA-N	313.378	3.864	50	20	DHGD	
CO[C@@H]1CCC[C@@H]1CNCc1ccc(OCCCCl)cc1	811486855	QMAYRRIHDFBKEU-NVXWUHKLSA-N	311.853	3.599	50	20	DHGD	
C[C@@H](NC(=O)NNc1cccc(Cl)n1)[C@H](C)c1ccccc1	814308339	KVLBZZUCUKYOSK-NWDGAFQWSA-N	318.808	3.553	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cccc(Cl)c2F)cc1	814998741	WBOXGWAHYHULDP-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
CN(NC(=O)c1occc1COc1ccccc1)c1ccccc1	822223465	WXCWSTXRUKWOIH-UHFFFAOYSA-N	322.364	3.640	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2ccc(C)c(F)c2)cc1C	822383064	KOGXAVVIWXHINS-LLVKDONJSA-N	319.384	3.759	50	20	DHGD	
C=CCC1(C(=O)NNc2cc(F)cc(OC)c2)CCCCC1	826897789	PMTWVSNBHBNUPH-UHFFFAOYSA-N	306.381	3.804	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)[C@H]2CCCCO2)c1	834990025	SVZXAZYTCPTQLW-LJQANCHMSA-N	322.408	3.681	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1cccc(Cl)c1Cl	838351163	VTCOQTOBMOQTKC-UHFFFAOYSA-N	307.246	3.826	50	20	DHGD	
C[C@@H](CN(C)/C(=C\C#N)c1ccc(F)cc1)C(=O)OC(C)(C)C	839200621	XYVCFJVEXVTVJF-ATTDUZETSA-N	318.392	3.600	50	20	DHGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)[C@H]1CCO[C@H]1C	842548611	AKDXEKXGAFAXFR-YJBOKZPZSA-N	322.408	3.537	50	20	DHGD	
C[C@@]1(CNCc2coc(-c3ccccc3)n2)C[C@@H]1Br	856806910	IWKQGPXJDZUVNS-ZFWWWQNUSA-N	321.218	3.605	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(Cc1cccc(Cl)c1)CC(C)C	857739364	KFOGPLVYGPMSOK-NTCAYCPXSA-N	320.820	3.769	50	20	DHGD	
Cc1ccc(C(=O)NCC(Cl)Cl)cc1C(F)(F)F	861696828	QAZZAOJNIHBALF-UHFFFAOYSA-N	300.107	3.547	50	20	DHGD	
CCc1oc2ccccc2c1CC(=O)N(C)CC(Cl)Cl	861735384	PHRQPDBXDVUUTN-UHFFFAOYSA-N	314.212	3.800	50	20	DHGD	
CC(C)(C)C(=O)CCCC(=O)NNc1ccc(F)cc1Cl	885138907	NTCBOLJHEFYWCD-UHFFFAOYSA-N	314.788	3.708	50	20	DHGD	
O=C(NN=C1CC2(CCCC2)C1)c1cccc(OC(F)F)c1	901190059	RNHVTBJNSXHHJS-UHFFFAOYSA-N	308.328	3.728	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)c2cccs2)C1	912584524	JGMJTXQSBWQXTF-GFCCVEGCSA-N	311.523	3.984	50	20	DHGD	
O=C(NCC(F)(F)F)NN=C1CCCC[C@H]1c1ccccc1	917552486	TVGFDBGTOQYMKI-LBPRGKRZSA-N	313.323	3.562	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)ccc1Cl	928340063	QFBIFJLERDOLFK-YPMHNXCESA-N	322.836	3.733	50	20	DHGD	
CSCC1CCC(=NNC(=O)c2ccccc2Cl)CC1	1261278067	VLRZIMJQIMJOEZ-UHFFFAOYSA-N	310.850	3.979	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)c2ccc(F)cc2F)c1	1319482171	HWLLIOHMHAXKMY-GFCCVEGCSA-N	304.340	3.828	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)OC2CCCCC2)cc1	1324635774	MVNRWSOFTDDOBD-CQSZACIVSA-N	304.434	3.991	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Cn2cccc2)cc1	1340925059	LPOMLDNRCJZJAZ-UHFFFAOYSA-N	323.371	3.741	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C[C@H]1C	1347922219	RHTVRQKLQVRHPH-HZSPNIEDSA-N	317.520	3.584	50	20	DHGD	
Cc1oc(C(=O)O)cc1/C=C(/C#N)c1nc(C2CC2)cs1	1608036408	QRFWNTBPQYARLR-WCIBSUBMSA-N	300.339	3.684	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	5872693	SFQVGUJVHJKYGB-LUJRCDHRSA-N	320.392	3.870	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)c(C)c1	44023585	CBNPOCSKXBAYTL-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1	44027298	CWCMYBSOMUTCKB-LCYFTJDESA-N	310.309	3.987	50	20	DHGD	
N#C/C(=C/c1cc(F)c(F)c(F)c1)C(=O)Nc1ccccc1	102713816	MNRODOOCKQZDJX-WDZFZDKYSA-N	302.255	3.650	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccc(OC(F)F)cc2)c1	121760201	OAXMLFBTFKWXSV-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
CCCc1cc(C(=O)NNc2cccc([N+](=O)[O-])c2)sc1C	151745666	WVSRPULIQYBOEJ-UHFFFAOYSA-N	319.386	3.674	50	20	DHGD	
O=C(CCSc1ccccc1F)NNc1ccccc1F	152948980	JUUWWESGRXWOEB-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NNc2ccccc2F)cc1	153339458	FTUMVDJDMVIWQL-UHFFFAOYSA-N	315.392	3.819	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1ccc(Br)cc1	171607545	RLERJWBGLFCQCC-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1ccc(Cl)cc1Cl	178320115	IGURSYCPTOAVHP-BAQGIRSFSA-N	324.192	3.996	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	184837444	DPQOWFNZPJZCPH-AQTBWJFISA-N	301.345	3.797	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2sccc2-n2cccc2)c1	193230816	WUPNTLJMIQALCB-UHFFFAOYSA-N	311.410	3.913	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@@H]2c2ccc3ccccc3c2)CC1	270958170	QKAOVIUPDRYYOX-RTBURBONSA-N	302.377	3.626	50	20	DHGD	
C[C@@H](NS(=O)(=O)CCCCCl)c1cccc(C2CC2)c1	297067885	MSSIWVRUHHBPJD-GFCCVEGCSA-N	315.866	3.563	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1csc(Cl)c1	588558898	LEYAGIQQBVEOLT-UPHRSURJSA-N	301.198	3.733	50	20	DHGD	
CCCCSCC(=O)NNc1cccc(C(F)(F)F)c1	728716043	GGGBYOMGCCROIX-UHFFFAOYSA-N	306.353	3.682	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2CSc3ccccc32)ccc1[N+](=O)[O-]	735630480	HFAFHJDDRQXRNJ-ZDUSSCGKSA-N	315.350	3.698	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)Nc2ccc(N(C)C)cc2)cc1C	741766348	CEFAUZSVDFXSFA-UHFFFAOYSA-N	324.428	3.833	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)c1	748395329	MGVHQWWOIPYEKA-XLIONFOSSA-N	306.409	3.651	50	20	DHGD	
COc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1C	749817189	BSBRWJMQTYQNIX-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(F)cc(F)c2)n1	755407089	RYBCRVYBKOVEAW-KMKOMSMNSA-N	320.320	3.662	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc3cccc(C)c3o2)c1	759321283	HBZCABTZMNAEDM-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)c1C	759652846	LRKGISJSLAGNMA-ZROIWOOFSA-N	320.400	3.554	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cnc(Cl)c(C)c1	760209841	HSNBKPRAJNRZCI-ZROIWOOFSA-N	305.809	3.647	50	20	DHGD	
CCO[C@H]1CCCC1=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	766434844	ZYMGNUKDCCXJRQ-FZMZJTMJSA-N	320.458	3.548	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)Cc1ccc(F)cc1	770359769	QIIZVYWICPPFMK-GHMZBOCLSA-N	317.198	3.579	50	20	DHGD	
O=C(C[C@@H]1C=CCCC1)NNc1ccccc1OC(F)(F)F	779206959	HCOPJHAIOSTGNU-LLVKDONJSA-N	314.307	3.775	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)s2)c1	786056894	VNBRVKSVEXRNEO-MDWZMJQESA-N	316.813	3.933	50	20	DHGD	
Cc1ccc(-c2cc(COC(=O)/C(C#N)=C\C3CC3)on2)cc1	786670920	SLVYXQVRAGNAFH-NVNXTCNLSA-N	308.337	3.553	50	20	DHGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)c1cccc(C)c1	786915238	BEJHIHAPVGHMFZ-FOWTUZBSSA-N	306.365	3.661	50	20	DHGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787313608	KUNSVNOQYJHBGP-QJJMHWKSSA-N	312.413	3.774	50	20	DHGD	
CSSCCNC(=O)c1ccccc1Oc1ccncc1	791154073	BSXPNEDDGMYQTQ-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)s1	791738927	BHTRXBWVUATKNJ-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1occ2c1CCC2	802823732	BRYUGSWBVMKQDF-UHFFFAOYSA-N	311.168	3.832	50	20	DHGD	
N#CSCCCNC(=O)c1cc(Cl)cc(C(F)(F)F)c1	808026760	XEMKLMZEJDGCOQ-UHFFFAOYSA-N	322.739	3.693	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(C#N)c(Cl)c2)s1	811030039	FGLUALVSFGFKEI-UHFFFAOYSA-N	319.817	3.658	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCCCCC(=O)C2)cc1	813513647	RFAGDPHLXSDJEM-AWEZNQCLSA-N	316.445	3.967	50	20	DHGD	
CN(NC(=O)NC[C@H]1CCCCC(F)(F)C1)c1ccccc1	814340733	KKWCORMWDFXOPD-ZDUSSCGKSA-N	311.376	3.553	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(C)c2Cl)cc1	817889439	FSPRVNGZOWLDIN-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1cc(C2CC2)ccn1	823471282	MAIGIISKGUKGDE-UHFFFAOYSA-N	300.337	3.555	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)C1CCC2(CC1)CC2	830771953	VADMYFXTRDRZNO-UHFFFAOYSA-N	323.234	3.863	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	833604446	ZPRWOFCHMVALGH-UHFFFAOYSA-N	322.792	3.618	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC[C@@H]1CCCC[C@@H]1c1ccccc1	837067454	ZLTJDGMTSAYSJC-MJLVVAAFSA-N	312.413	3.521	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CC[C@@H](C3CCC3)C2)cc1	840574818	WWYOVVIKACYZGJ-YPOUMIDOSA-N	324.424	3.641	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1ncccn1)=C/c1ccccc1	841663010	QTOKXTZAURIATE-PSZGYQIQSA-N	322.412	3.856	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cc3c(s2)CCC3)[C@H]2CCC[C@H]21	853271580	AVQMJZHPHLMWOY-NWDGAFQWSA-N	302.443	3.779	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cc(F)cc(Cl)c1	855618325	BFRHRVJQCJOSLP-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
C[C@@]1(CNCc2coc(-c3ccccc3)n2)C[C@H]1Br	856806908	IWKQGPXJDZUVNS-HIFRSBDPSA-N	321.218	3.605	50	20	DHGD	
N#C/C(=C\c1ccsc1C(F)(F)F)C(=O)C1CCOCC1	863189599	CJJCIHDCFPEZRN-YRNVUSSQSA-N	315.316	3.670	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)cc1F	869297343	LLSHZLSEXQFYIU-NEPJUHHUSA-N	318.314	3.946	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)[C@@H](C)CC)c(OCCC)c1	915975252	UPWULFPHZCBKIX-AWEZNQCLSA-N	320.433	3.760	50	20	DHGD	
CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)c1ccccn1	916245422	XSENWPDFXZBIDQ-UHFFFAOYSA-N	311.429	3.794	50	20	DHGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccccn1	917209014	JYIDLRCWCYSTGR-UHFFFAOYSA-N	321.380	3.934	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1c(Cl)ccc(Cl)c1Cl	920828402	IKNKOIJGQMRDNM-UHFFFAOYSA-N	320.607	3.690	50	20	DHGD	
O=C(CCl)N[C@@H](Cc1ccccc1Cl)c1ccccc1	1336910059	MTZVUNWAAZJBQR-HNNXBMFYSA-N	308.208	3.979	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1ncccc1C	1528061604	RHKAHKQJXHGMSC-CQSZACIVSA-N	312.417	3.648	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNc1ccc(C(=O)O)cc1F	1595697945	NWOFVCNQNWFSCE-LBPRGKRZSA-N	324.396	3.964	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776682890	HFEZDKPGWQJCCU-BJMVGYQFSA-N	307.296	3.575	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)o1	8117471	HBOIHLIGMAEEOM-YOMTVTAXSA-N	308.385	3.785	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(OC2CCC2)c(F)c1	120812038	BWMYEWVSYXJYAM-UHFFFAOYSA-N	315.348	3.906	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2cccc(Cl)c2)c1	121105018	GVCXAWKZIYGLJW-UHFFFAOYSA-N	304.777	3.561	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCSc2ccccc2)c1	126685047	KNSCPAHEMUQXSM-UHFFFAOYSA-N	300.427	3.929	50	20	DHGD	
CSCc1ccccc1NC(=O)NNc1c(F)cccc1F	128251793	CBRXBXDHRHCMSQ-UHFFFAOYSA-N	323.368	3.976	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc(OC)c1	154295781	NBYIMUBMGRNLNH-PXNMLYILSA-N	307.349	3.802	50	20	DHGD	
Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)n1	155274783	DJHINTJIAFTOMS-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cccc(C)c2C)cc1	171791084	GRLLVXYYHUWLGY-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	172692625	RMTFBVUXIJXGRD-ZWIPKHHJSA-N	301.777	3.900	50	20	DHGD	
CC(C)(C(=O)NNc1cccc2cnccc12)c1ccc(F)cc1	178493971	QIRYYBFRZVNRCV-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
N#C/C(=C\c1cccc2nccn12)C(=O)c1c[nH]c2ccccc12	178942766	HMYFLWCMSWLEPT-JLHYYAGUSA-N	312.332	3.605	50	20	DHGD	
O=C(/C=C\c1ccccc1)NNc1ccc(C(F)(F)F)cc1	255083111	AGEKDUWQVPEVMS-WDZFZDKYSA-N	306.287	3.862	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1	255497041	BZGMTTJUNXJJDE-TXESTNCSSA-N	324.424	3.641	50	20	DHGD	
CC(C)c1ncncc1C(=O)NNc1ccc(C(C)(C)C)cc1	272985564	MHFAZUYFVUJSNW-UHFFFAOYSA-N	312.417	3.654	50	20	DHGD	
CCCCOc1cc(OC)ccc1C(=O)NNc1ccccc1	274582593	STSUIYKSWAQSKP-UHFFFAOYSA-N	314.385	3.631	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccccc2F)cc1	490701475	XCVUBBANWSSMDN-YYTPVVGHSA-N	324.355	3.619	50	20	DHGD	
C=CCOc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	588429835	IWVFOZVVDDNXHC-PTNGSMBKSA-N	322.339	3.936	50	20	DHGD	
Cn1cc(/C=C(/C#N)c2cnc3ccccc3n2)c(C(C)(C)C)n1	588580751	PAPCNRXTSFXRNP-LCYFTJDESA-N	317.396	3.725	50	20	DHGD	
CC(C)CC[C@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588608377	JBFQUYLWIUQGMY-NWNNTGRJSA-N	312.413	3.726	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)c2c(c1)C[C@@H](C)O2	728439129	FLDSOOPUFZOPOH-LBMJDHPKSA-N	323.348	3.710	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2nccc3sccc23)c1	734249419	YOBSLXLSAGBMRO-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
O=C(O)NNC(=O)Nc1cccc(CSC2CCCCC2)c1	740003746	TYKGNEWBHFKGMV-UHFFFAOYSA-N	323.418	3.557	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccc(Cl)nc1	743816452	PMVIYCNZSUVIMQ-OAHLLOKOSA-N	317.820	3.693	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(Br)c(Cl)c1	754933623	UJJPGWFBGWKARG-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)c1ccc(O)c(Cl)c1	755733941	KQBHJKMNKJJUIG-UONOGXRCSA-N	314.772	3.565	50	20	DHGD	
CSc1cc(C)ccc1CNC(=O)NNc1ccc(F)cc1	757259418	DREVUTAAQQOXQZ-UHFFFAOYSA-N	319.405	3.682	50	20	DHGD	
CCN(CCI)[C@@H](C)c1ccc(F)cc1	759340881	BXSJNQDOEFCOJK-JTQLQIEISA-N	321.177	3.644	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)Cc1cccnc1)CCC2	760248659	IPMMEQVJRFHJKI-UHFFFAOYSA-N	321.424	3.604	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)c1c[nH]c2ccccc12	764887661	RPVMFLAXEZDPFE-UHFFFAOYSA-N	311.410	3.968	50	20	DHGD	
Cc1ccccc1C(=O)NN=CCc1ccc(F)cc1Cl	766429882	GUGBDVYGKOJYDH-UHFFFAOYSA-N	304.752	3.746	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)NC2CC2)cc1)C(=O)C1CCCCC1	767715398	VJEHJMGJQCRZIY-ATVHPVEESA-N	322.408	3.635	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1C1CC1	770058388	DPDIJUWJTJYBCD-UHFFFAOYSA-N	316.788	3.983	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C1CC2(CCC2)C1	772840351	HAXGLFIFENTTEF-UHFFFAOYSA-N	308.381	3.655	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	779381069	MBWKAHRSNNWCIR-OAHLLOKOSA-N	315.804	3.928	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)[C@@H]1CCCOC1	779771179	HCKVVUJUSLDJNW-GFCCVEGCSA-N	309.797	3.572	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cccnc1-c1csc(C)c1	782194217	JIMWNQSKRXNYCQ-LCYFTJDESA-N	313.382	3.501	50	20	DHGD	
CCOC1CCN(Cc2ccc(OCCCCl)cc2)CC1	788843239	MRQLZYZIIRPGAP-UHFFFAOYSA-N	311.853	3.695	50	20	DHGD	
CSc1ccccc1CN(C)C[C@H](C)CBr	791600323	XOORSOOLWIWBPN-LLVKDONJSA-N	302.281	3.871	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Cl)c3ncccc23)c1	801602488	KLNUHBDSGUYQSI-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c(-c2ccnn2C)c1	801647060	AOHFIGZDCWHJII-RVDMUPIBSA-N	307.397	3.918	50	20	DHGD	
N#C/C(=C/c1cnccn1)C(=O)c1c(Cl)cccc1Cl	809155435	XDNPQVWYZCPIEO-TWGQIWQCSA-N	304.136	3.573	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1cccc(Cl)c1F	811140168	PUVOXEHVYBSWAA-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
CCC1(NCc2ccc(OCCCCl)cc2)CCOCC1	811486327	BNSAZDSCSKDYHV-UHFFFAOYSA-N	311.853	3.743	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccnc1Cl	812765666	QSVKPSYSEOXAQL-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2cc(F)ccc2F)cc1	814998511	MVEOPKCMCWFUIN-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
CCC(CC)(C(=O)NNc1cccc(Cl)n1)c1ccccc1	817009496	MOMOVIQQCNPXHO-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
C/C=C\C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014836	AMUCSWVXWVZWMH-IHWYPQMZSA-N	312.213	3.743	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	819414606	LTRRSUSSUCCXKO-UHFFFAOYSA-N	316.323	3.673	50	20	DHGD	
CC(C(=O)NNc1ccc(Br)c(F)c1)=C1CCC1	829618515	VUNLQLHJAQQSKC-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
CC[C@@H](c1ccccc1)N(CC(C)C)S(=O)(=O)CCl	830467889	SWOUOVRGVXNVNL-AWEZNQCLSA-N	303.855	3.622	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1nnc(-c2ccccc2)o1	834943707	FJEMQSZASRERPA-UHFFFAOYSA-N	312.373	3.589	50	20	DHGD	
COc1ccc(CNC(=O)NNc2ccc(C(C)C)cc2)cc1	836244840	XTOYIGMCYCBCAM-UHFFFAOYSA-N	313.401	3.645	50	20	DHGD	
Cc1nccn1CCN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844335684	INGJFZRAHCBXKX-MRXNPFEDSA-N	323.557	3.678	50	20	DHGD	
CCCCCC(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387259	CCWWBZRGZYPEIS-UHFFFAOYSA-N	324.837	3.882	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)c1cc2c(s1)CCCCC2	856095249	JDVOALWPSCIEKV-UHFFFAOYSA-N	321.833	3.822	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2sccc2C)cc1F	856229900	AWCPDTBGNMNHKW-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1cc(Cl)cc(Cl)c1	861734967	LISXYCBYIZNAPX-UHFFFAOYSA-N	315.027	3.798	50	20	DHGD	
CSc1ccc(/C=C/C(=O)N(C)CC(Cl)Cl)s1	861735684	SGFJTBGHCURMQO-HWKANZROSA-N	310.271	3.745	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cc(Cl)ccc1C	885125718	WOVDUCNDBKOBIR-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	906369004	DWSBLCNNLLGLET-SFQUDFHCSA-N	301.434	3.728	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1c[nH]c2ccccc12	916288171	YULVWTJRLLBBIH-OSFYFWSMSA-N	307.397	3.710	50	20	DHGD	
O=C(NN=CC1([C@H]2CCCCO2)CCC1)c1ccccc1Cl	1261893789	BEBDZYZKEDAMSE-OAHLLOKOSA-N	320.820	3.795	50	20	DHGD	
CO[C@H](C)c1nc(CNC(=O)c2cccc(CCl)c2)cs1	1262614024	XAJSKLGZHUXAEK-SNVBAGLBSA-N	324.833	3.519	50	20	DHGD	
O=C(NN=Cc1cccc2cccnc12)c1ccccc1Cl	1318039416	SQKJGLNHQSEGRC-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC[C@H](C)[C@@H]1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045270	NUJUXMJEDRHUNF-WCQYABFASA-N	317.389	3.709	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2cc(F)c(F)cc2F)cc1	115720157	VPUHKHGAAQPIRD-JTQLQIEISA-N	322.330	3.913	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C1(CC(C)C)CCC1)c1ccccc1	120002656	CSSDEJAITUNCCF-INIZCTEOSA-N	316.445	3.544	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc2c(s1)CCC2	120198309	HLZPGECNPWQNDT-UHFFFAOYSA-N	312.438	3.873	50	20	DHGD	
O=C(/C=C/c1cccc(F)c1)NNc1ccc(OC(F)F)cc1	122129904	ILZRCLMCRNOYCF-RUDMXATFSA-N	322.286	3.584	50	20	DHGD	
Cc1csc(C2(NC[C@H](C)CBr)CCCC2)n1	134001215	ITZOCHDDTYRZCP-SNVBAGLBSA-N	317.296	3.841	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NNc1ccc(C(F)(F)F)cc1	153686534	OKAJYNVHINLVKE-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
O=C(CCc1ccccc1)NNc1ccc(C(F)(F)F)cc1	153728094	MHOWNGLZYHNRGL-UHFFFAOYSA-N	308.303	3.781	50	20	DHGD	
Cc1cc(F)ccc1C(=O)NNc1ccccc1C(F)(F)F	178899227	XWVOORLWYBVOKG-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2ncsc2c1	179022797	WKUKJCLYSREHJB-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(OC)c2ccccc12	191761735	IRPKJAMUZBOOLJ-SDNWHVSQSA-N	315.394	3.538	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3ccc(C)s3)n2c1	255631430	NCVIESSYNJAIOS-QPEQYQDCSA-N	307.378	3.803	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2cccc(C(F)(F)F)n2)C1	740140016	HCAFACMUZJSJQG-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
CC[C@H](C)C[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746773357	VDHDCAPUUXUQNW-IUCAKERBSA-N	303.328	3.555	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1ccc(F)cc1F	754084093	DNXZZLZNVQKIPH-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2cc(C)sc2C)c2ccccc2n1	760223450	DNRRFRYIJXWMNA-UHFFFAOYSA-N	323.421	3.985	50	20	DHGD	
CC(C)O[C@@H]1CC(=NNC(=O)c2cccc(Cl)c2)C1(C)C	764895061	SYYJOXCIAXUJEP-CQSZACIVSA-N	308.809	3.649	50	20	DHGD	
CCO[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1Cl	766431589	OTRGTTLRMAYHML-CYBMUJFWSA-N	315.200	3.668	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccccc1O	768199061	WZOLHBJPFGBBKQ-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)c1ccc(O)c(Cl)c1	769789927	IMEUBCBSBXDXKR-CYBMUJFWSA-N	314.772	3.709	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(F)cccc2Cl)s1	770197037	GDZOXKBSLMQTAK-UHFFFAOYSA-N	312.753	3.500	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@H](Cc2ccc(F)cc2)C1	770653051	LXPVOPOEZZUOMU-GXTWGEPZSA-N	314.242	3.721	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12	771707438	PKHIYBZMRJLUOI-OXQOHEQNSA-N	324.399	3.871	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C[C@@H]1CCCC[C@H]1C	783813229	JZWWNYAQHSDELF-RDBSUJKOSA-N	306.381	3.521	50	20	DHGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)c1cccc(C#N)c1	784732351	GLNQFOIWFMBOSP-MFKMUULPSA-N	324.218	3.972	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCCOc1cccc2ccccc12	786678681	FLUZDDABYPEUFH-VBKFSLOCSA-N	307.349	3.622	50	20	DHGD	
O=C(NCCCc1ccccc1F)NNc1ccccc1Cl	793465733	XYGKFUCHXVETBI-UHFFFAOYSA-N	321.783	3.738	50	20	DHGD	
O=C(NN=C[C@H]1CCCSC1)c1ccc(Cl)cc1Cl	794880886	SVSJKULVXAWJIZ-SECBINFHSA-N	317.241	3.852	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1	797336769	FJCSUGPGPXOMGY-JLHYYAGUSA-N	310.319	3.919	50	20	DHGD	
CCC1(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)CCCC1	802047544	DSZSKOSLFMHYFY-UHFFFAOYSA-N	323.824	3.772	50	20	DHGD	
CC(C)N(C)C[C@@H](C)NC(=O)CCCC[C@@H]1CCSS1	811936891	MPCDUCRADCMMIW-ZIAGYGMSSA-N	318.552	3.545	50	20	DHGD	
CC(C)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245592	VHCNMLZLFUGBMJ-ZROIWOOFSA-N	309.325	3.841	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCC(=O)C[C@@H]1C	812765779	UUBQCCKUUXAJAY-BBRMVZONSA-N	302.418	3.567	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCC(=O)C[C@@H]1C	812765782	UUBQCCKUUXAJAY-XJKSGUPXSA-N	302.418	3.567	50	20	DHGD	
CCc1cnc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)s1	814741473	CCWCTZSVYFSQQF-UHFFFAOYSA-N	315.442	3.767	50	20	DHGD	
CC(C)CCC(=NNC(=O)CSc1ccccc1O)C1CC1	814968710	CBFIYIVPWVDLAE-UHFFFAOYSA-N	320.458	3.803	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)[C@H]1CCOC1	814995140	CCVFNESAVCPMQN-VIFPVBQESA-N	316.188	3.527	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1scnc1C(F)(F)F	816844133	PRKJHOBTCXSRGC-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(C(F)(F)F)CCCCC1	830776773	WEKRVHJONVFCHS-UHFFFAOYSA-N	304.287	3.782	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NNc1ccc(Cl)c(OC)c1	834716646	UKUZUKBPYIMACR-AWEZNQCLSA-N	302.777	3.710	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@H]2CCCC[C@H]2C)c(OC)c1	834954975	DXCYFUCYVCZMQC-DOMZBBRYSA-N	318.417	3.636	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCCC12CCC2	834966148	DGLBITYTMXFPFZ-UHFFFAOYSA-N	318.442	3.614	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1cc(F)ccc1Br	839878633	DZMKYXVFDBHJEQ-UHFFFAOYSA-N	317.202	3.714	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)C1(F)CCCCC1	859695575	XFWHUKKEMAFNQQ-LLVKDONJSA-N	307.203	3.623	50	20	DHGD	
CCCOc1ccc(NC(=O)NCCSSC)cc1F	861635146	GLOTUMRDHDPABT-UHFFFAOYSA-N	318.439	3.747	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)c2ccc(Cl)cc2F)n1	862521335	ZYDRTYTZALTIHN-UHFFFAOYSA-N	321.783	3.603	50	20	DHGD	
Cc1ccccc1NNC(=O)[C@H](C)Oc1ccc(Cl)cc1C	865483700	VRPIKOCLDDVBIC-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
COC(C)(C)CCNC(=O)CCCC[C@@H]1CCSS1	871251485	PKSATWYJRIFGCI-GFCCVEGCSA-N	305.509	3.632	50	20	DHGD	
Cc1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)c(Cl)c1	905047523	DYRALYFPGWLRBU-PWSUYJOCSA-N	302.599	3.760	50	20	DHGD	
O=C(NN=Cc1cccc(Oc2ccccn2)c1)C1CCCC1	905436023	KLMAOZVOKSYXFT-UHFFFAOYSA-N	309.369	3.514	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1C	912585041	NHRHDCASJBFYLX-CQSZACIVSA-N	322.525	3.570	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccnc2cc(Cl)ccc12	913188567	YYTMQHDULFOBDD-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C[C@@H](CCc1ccccc1)NC(=O)NNc1ccccc1Cl	915883274	GUHVKTMIVPYWLM-ZDUSSCGKSA-N	317.820	3.987	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccccn2)oc2ccc(C)cc12	916245321	MMVBVWFBJXLNLR-UHFFFAOYSA-N	321.380	3.853	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(C)cc1	916298120	WCOBVEJHKNPXOQ-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccsc1	916336153	WNQPAHYTYSDXNK-ZDUSSCGKSA-N	324.405	3.819	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1	916336376	CZRRQGURVIRAAE-INIZCTEOSA-N	310.397	3.529	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1cccs1	916336951	UNHCNTWTMSDASY-AWEZNQCLSA-N	316.426	3.673	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	916349098	QWULRVPTEYTGKL-GFCCVEGCSA-N	306.406	3.634	50	20	DHGD	
CCNc1nc(C)c(C(=O)NNc2ccc(Cl)cc2C)s1	928338083	RZOJAPACNCCMKT-UHFFFAOYSA-N	324.837	3.602	50	20	DHGD	
CCS[C@@H]1CC[C@@H](N(C)C(=O)C2CCC(Cl)CC2)C1	1263754690	VCYCNDSDLAXBSS-NWINJMCUSA-N	303.899	3.917	50	20	DHGD	
Cc1ccc(NNC(=O)CNc2ccccc2Cl)cc1Cl	1318957722	VEGHEVMOXHORAM-UHFFFAOYSA-N	324.211	3.857	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](C[C@@H]2CCOC2)C1	1358100163	ANEACBMHNJQILR-CVEARBPZSA-N	321.848	3.704	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2ccccc2Cl)cc1	13114051	MEBUGXQRVIWUQQ-UHFFFAOYSA-N	304.802	3.826	50	20	DHGD	
C=CCOc1cccc(NC(=O)NNc2ccc(F)cc2)c1	92598363	VSZBNPKZACEQRX-UHFFFAOYSA-N	301.321	3.539	50	20	DHGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)C(=O)NC1CCCCC1	109707485	KRTYQQXDQRDGFA-RVDMUPIBSA-N	321.380	3.697	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ncoc1-c1ccccc1	120223250	LAHIEPCUUZGUES-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
CCCn1ncc(C(=O)NNc2cccc(Cl)c2)c1C1CC1	121699328	PVRNDGBDGYSDHQ-UHFFFAOYSA-N	318.808	3.581	50	20	DHGD	
C[C@]1(c2ccccc2)CN(/C(=C/C#N)c2ccc(F)cc2)CCO1	121795731	JSCUFZRUJFVNDR-PYIVIEQSSA-N	322.383	3.938	50	20	DHGD	
Cc1c(C(=O)NNC(=O)C(C)(C)C)oc2c1ccc1ccccc12	127207534	GJNWLKJPOIQOQQ-UHFFFAOYSA-N	324.380	3.702	50	20	DHGD	
COc1ccccc1[C@H]1CCCN1C[C@@H](C)CBr	133737027	KASAUVYAGMXIDD-GXTWGEPZSA-N	312.251	3.863	50	20	DHGD	
COc1ccc(C)cc1[C@@H](C)NC[C@H](C)CBr	152765899	MWPFCLDGBFICQV-VXGBXAGGSA-N	300.240	3.685	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC1(O)CCCCC1	174737594	ACXLLGKLTLUJMF-CYBMUJFWSA-N	317.520	3.512	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)C(=O)c3ccc(F)cc3)ccc21	178888788	GULAYYRGBIPICR-LFIBNONCSA-N	306.340	3.608	50	20	DHGD	
C=C[C@H](CC(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	179493091	VMPCWSYIQDDBTD-LLVKDONJSA-N	320.314	3.907	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(C)c1C	181290717	OTUIKNTZTHCNGI-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
C[C@H](Cc1cccs1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182118837	BZVGLCGTKFNWNA-XTCQQWIJSA-N	314.385	3.542	50	20	DHGD	
CC[C@H]1C[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)CCO1	272629142	AVYGLMLEENBZMN-ONGXEEELSA-N	317.216	3.642	50	20	DHGD	
CCN(Cc1ccc(Cl)cc1)S(=O)(=O)CCCCCl	275591592	RMFOCZSGRJVCMC-UHFFFAOYSA-N	324.273	3.511	50	20	DHGD	
CCCN(N=Cc1ccc2oncc2c1)C(=O)OC(C)(C)C	495795505	PIMFFTBDZQXKRW-UHFFFAOYSA-N	303.362	3.809	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	588597284	FHLVBFFVYRSWEM-DHDCSXOGSA-N	308.312	3.574	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)CCCc2ccccc2)c1	727688705	FMKYSDKAOWRUMF-UHFFFAOYSA-N	322.408	3.724	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1oc2ccc(OC)cc2c1C	729141836	HSGLJTKMVDEVOC-JTQLQIEISA-N	302.374	3.636	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCc2cc(O)ccc21)c1ccccc1	731931657	MWNUKXFBISBJLF-KRWDZBQOSA-N	322.408	3.743	50	20	DHGD	
CCOc1cccc(C(C)=NNC(=O)c2cccc(Cl)c2)c1	743525408	DGOXBOLGMPJURZ-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)Oc2ccccc2F)c(C)c1	743761879	DQGKTLICMZNVKL-AWEZNQCLSA-N	316.376	3.662	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCC(C)(C)C[C@H]2C)c1	748243844	GFOBBMVLAJZWMC-GFCCVEGCSA-N	318.417	3.636	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1ccc(Cl)nc1	749255422	AUYQXOYNEUPRTG-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)Cc3ccccc3F)oc2cc1C	749815695	PBXQLPRKMUJMCJ-UHFFFAOYSA-N	324.355	3.882	50	20	DHGD	
CCOC(=O)NN=C(C)[C@H](C)Oc1ccc(Cl)cc1Cl	749853548	OONQYMFOKWCOAW-VIFPVBQESA-N	319.188	3.883	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCN(C)c3ccccc32)c(C)c1	750787714	IVUQOYKXQONMDW-KRWDZBQOSA-N	323.440	3.679	50	20	DHGD	
C[C@]1(c2ccccc2)C[C@@H]1NC(=O)/C(C#N)=C/c1ccc(F)cc1	752468315	STHMZTJZBYBDAE-DSTXGFKJSA-N	320.367	3.579	50	20	DHGD	
O=C(NC[C@@H]1CCC[C@H](C(F)(F)F)C1)NNc1ccccc1	753063883	YLIQRMVIWFXMNK-NEPJUHHUSA-N	315.339	3.681	50	20	DHGD	
C=CCCCC(=O)NNc1ccc(Br)cc1CC	753174507	SYOGQGZMHCDNEX-UHFFFAOYSA-N	311.223	3.811	50	20	DHGD	
CC(CC1CC1)=NNC(=O)c1ccc(COc2ccccc2)o1	756822693	CSVILBAOVXCGSE-UHFFFAOYSA-N	312.369	3.764	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(F)cc1	756876717	LZSJHWSBQUVEOM-CYBMUJFWSA-N	323.371	3.755	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2ccncn2)cc1Br	758913827	CVFOXNPAUKGIOP-SDQBBNPISA-N	300.159	3.612	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cncc(C)c1	767379894	NJPJSKBWIFQLAV-UHFFFAOYSA-N	316.792	3.898	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cc(Br)ccc1Cl	767772218	PTWLAQGVNGWZCZ-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)C[C@H](C)C1CCCCC1	772875546	CBBNBQUNTOLBJI-ZDUSSCGKSA-N	304.438	3.650	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)cn1	780148966	VTYMDSFWKSTCJP-OQLLNIDSSA-N	318.336	3.513	50	20	DHGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(/C#N)c1ccccn1	794690881	MMYGWMOXSLUYDC-RAXLEYEMSA-N	321.771	3.688	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1sccc1Cl	802832161	HPMUILWRLWMKMX-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
COc1ccc2sc(C(=O)NCC(Cl)Cl)c(C)c2c1	808130477	AQKGGVLQIBNRFU-UHFFFAOYSA-N	318.225	3.752	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)[C@H]1CC2CCC1CC2	815851786	UKCHDWKFPMBVMM-MGULZYLOSA-N	323.234	3.719	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3oncc3c2)c1	821028649	VCJOWMKUGLNFHB-RIYZIHGNSA-N	303.321	3.682	50	20	DHGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	826799332	CREZLJSQXKLDJK-IUCAKERBSA-N	321.368	3.821	50	20	DHGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1cccc(Cl)c1Cl	828559545	BCIZBTHKQKSJCV-CBAPKCEASA-N	320.245	3.514	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1CCC2(CC1)CC2	832395944	YAWZSXQRQRJPCZ-UHFFFAOYSA-N	313.323	3.514	50	20	DHGD	
COc1cc(C)ccc1/C=C(/C#N)C(=O)N(C)C1CCCCC1	834425120	IHWBCDXVLIXQHN-VBKFSLOCSA-N	312.413	3.702	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1cc(F)ccc1Br	840530513	BHTSHWSVXOJOAA-HJWRWDBZSA-N	315.186	3.778	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccco1	860312996	ZOUKMISLSVCOHT-SNVBAGLBSA-N	312.291	3.935	50	20	DHGD	
CCCN(CCC)C(=O)/C(C#N)=C/c1ccc(OCC)cc1	885088117	QVCBCEKXDVKXOA-DTQAZKPQSA-N	300.402	3.641	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc(F)cc(F)c1	899892197	DRAHBSFXKBCUJY-UHFFFAOYSA-N	307.252	3.709	50	20	DHGD	
C/C(C=NNC(=O)c1cccc(N(C)C)c1)=C\c1ccccc1	916281090	QEZMYQNSBFGBGR-WUGIRNESSA-N	307.397	3.572	50	20	DHGD	
Cc1ccccc1C=NNC(=O)c1ccc(Br)s1	916356647	HHEAQRAVDQBEDW-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
C[C@H]1[C@H](c2ccccc2)c2ccccc2CCN1C(=O)CCl	1319921576	JGGWRBZPRLSYTO-IFXJQAMLSA-N	313.828	3.831	50	20	DHGD	
CCc1ccc(-c2nc(C(=O)N3CC=C(C#N)CC3)cs2)cc1	1320054112	RVEQVQLCKSJIKL-UHFFFAOYSA-N	323.421	3.668	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)cc1F	8198810	IPVPTSYLKYLAHQ-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NNc1ccc(F)cc1	73569535	CTASCYRVUGNCQM-CYBMUJFWSA-N	314.451	3.983	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2ccccc2F)c(F)c1	92601935	UUMGSRMUAFOHHR-UHFFFAOYSA-N	321.327	3.901	50	20	DHGD	
COc1ccc(Cl)cc1CC(=O)NNc1cc(C)cc(C)c1	102775510	FKWFBOBQBSYJGU-UHFFFAOYSA-N	318.804	3.651	50	20	DHGD	
O=C(Cc1ccc(F)cc1Cl)NNc1ccc(Cl)cc1	120164239	UXLSLVMABKRVPX-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1ccc(Cl)cc1	120404410	WWYJMFAPCKUTTR-QWHCGFSZSA-N	306.818	3.957	50	20	DHGD	
CCOc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1	120420663	OAKHHDSHHDALME-UHFFFAOYSA-N	310.397	3.721	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1C[C@@H]1C1CC1	124499667	WPTWRBNSASYBRA-BDAKNGLRSA-N	303.164	3.622	50	20	DHGD	
O=C(CC[C@H]1CCCO1)NNc1c(Cl)cc(F)cc1Cl	126143503	ZIGBGZGUHSLEJG-SECBINFHSA-N	321.179	3.535	50	20	DHGD	
O=C(Cc1c[nH]c2cc(Cl)ccc12)NNc1cccc(F)c1	154387234	SFNJNOGCNLBFOD-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1cc(Cl)cs1	160701923	CNRCOASKGZBAOX-UHFFFAOYSA-N	312.797	3.925	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@@H](C)c1ccccc1F	160945043	YVYGLNVUPXCHLQ-LLVKDONJSA-N	304.340	3.910	50	20	DHGD	
COCCC1(CNC(=O)CCCC[C@H]2CCSS2)CC1	164210400	CYZMRSBKZPRJCM-ZDUSSCGKSA-N	317.520	3.633	50	20	DHGD	
COc1ccc(Br)cc1/C=C(\C#N)C(=O)CC(C)C	171020084	YIMJLDAJPOKJMY-KPKJPENVSA-N	322.202	3.980	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2OCC#N)cc1	181150115	WKQGKBRAPNRZBN-UHFFFAOYSA-N	323.396	3.643	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(F)ccc1F	181290970	DTYHNLNQYKHKRC-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CS[C@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	183057902	ZXAYIXMZUQGBRW-VGAQJYNHSA-N	318.417	3.523	50	20	DHGD	
CCc1csc(CC(=O)NNc2ccc(C(C)(C)C)cc2)n1	283750583	IPTQQYORLFNOBF-UHFFFAOYSA-N	317.458	3.689	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1Cl	588424905	HZICXODQVWFHMC-WDZFZDKYSA-N	316.700	3.940	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(F)c(F)c1	727689608	VWBXVYLKMLSDFD-UHFFFAOYSA-N	316.351	3.828	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	727776695	BIRPHSPNEMRNOP-ZDUSSCGKSA-N	318.417	3.800	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1ccccc1C(F)(F)F	731956201	TWGCOWWHAVANBU-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
O=C(/C=C\C1CCCCC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	735463374	JADWEDWJDPFGMM-TWGQIWQCSA-N	323.780	3.828	50	20	DHGD	
O=C(NN=CC1CCCCCC1)c1cnn(-c2ccccc2)c1	741842512	KKNBWUYDZQKCEW-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CCCC1CCC(NC(=O)NNc2ccc(Cl)nc2)CC1	745761125	ZNALGJBOXUKULQ-UHFFFAOYSA-N	310.829	3.720	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1cc(F)c(F)c(F)c1	746705064	XFIZVGSBVKZTAX-GFCCVEGCSA-N	322.330	3.816	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1ccc([N+](=O)[O-])cc1Cl	748725989	VWHNJBWFKSYLAX-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1CC12CCCC2	748743751	JTETVXVUDCNQJM-GFCCVEGCSA-N	323.234	3.781	50	20	DHGD	
O=C(NN=Cc1ccccc1C1CC1)c1c[nH]c2ccccc12	751131853	UNSYUDXGFACQMZ-UHFFFAOYSA-N	303.365	3.809	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C/c2ccccc2F)cc1Cl	753322318	GEVKBPXDSHSFHM-SOFGYWHQSA-N	315.735	3.507	50	20	DHGD	
CCCC1(CNC(=O)/C(C#N)=C\c2ccc(OCC)cc2)CC1	760026110	OGINTBJBLUEBDQ-VBKFSLOCSA-N	312.413	3.689	50	20	DHGD	
C[C@@H]1C[C@H](CNC(=O)CCCC[C@@H]2CCSS2)CCO1	770882121	OKJQMMWELQWIHO-MGPQQGTHSA-N	317.520	3.632	50	20	DHGD	
CCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(C#N)cc1	772999974	WPRUJOMIVCDRCW-UHFFFAOYSA-N	316.364	3.584	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc2nc(C(F)F)sc2c1	794735442	IACFEXRKTWHBCF-FPLPWBNLSA-N	323.324	3.616	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1c(C)cccc1F	797992455	WYENASCEXOLMTB-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
CCC(CC)(CCO)NC(=O)CCCC[C@@H]1CCSS1	801515460	QFGVKZBBUXKLHA-CYBMUJFWSA-N	319.536	3.758	50	20	DHGD	
N#CCCCCCC(=O)NNc1cc(C(F)(F)F)ccc1F	807152223	XBWFQHZPABWNQK-UHFFFAOYSA-N	317.286	3.762	50	20	DHGD	
Cc1c(C(=O)NNc2ccnc(F)c2)sc2cc(F)ccc12	807215699	BBZBNSXYLBCJCU-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
C[C@H](c1ccccc1)[C@H](CO)NCCO[Si](C)(C)C(C)(C)C	808747476	NPYXEIUGXJENDA-WBVHZDCISA-N	323.553	3.762	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CC2CCC1CC2	815855412	QUZCAKXWOULGQD-MGULZYLOSA-N	310.344	3.557	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1ccc(-c2cccs2)cc1	818196383	OJSVALIJPDXPTC-UHFFFAOYSA-N	321.405	3.964	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)cc1	821939679	YRNXEOGSXIVBGT-NVXWUHKLSA-N	304.434	3.704	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc(O)c(F)c1	832322450	JVMBOJDNTACWEY-UHFFFAOYSA-N	316.376	3.649	50	20	DHGD	
CCCCn1nc(C)c(/C=C(/C#N)C(=O)C(C)(C)F)c1Cl	834447778	RUSJXWRFFCMUDM-FLIBITNWSA-N	311.788	3.869	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@H](C)c2ccc(C)cc2)cc1	837737397	UEGQZGZQXFDMSN-CQSZACIVSA-N	313.401	3.781	50	20	DHGD	
Cc1ccc(NNC(=O)NCCC2CC(F)(F)C2)c(Cl)c1	838736694	XARGIYZZVQNQPT-UHFFFAOYSA-N	317.767	3.710	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2noc(C3CC3)n2)C1	852522697	OJPLSQUAXGVXGI-CYBMUJFWSA-N	323.513	3.543	50	20	DHGD	
COC(=O)c1oc(/C=C(\C#N)c2nc(C3CC3)cs2)cc1C	853007514	BIGLFSFQVLBRHL-IZZDOVSWSA-N	314.366	3.773	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ncnc3[nH]ccc23)C1	853897265	BTRIEWDAJKKSKC-GFCCVEGCSA-N	318.497	3.558	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c(F)cccc2Cl)cc1	916329522	MUOIXAKYLBIGNV-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)Cc2ccc(F)cc2)cc1	916350823	KSJIFSAVFIDVTD-UHFFFAOYSA-N	312.388	3.816	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@@H]1CCO[C@@H](C(C)C)C1	928337978	ZPSXJYUUPIBZRA-CZUORRHYSA-N	324.852	3.933	50	20	DHGD	
CCOc1ccc2ccccc2c1C(=O)N1CC=C(C#N)CC1	935158897	BHJPODZUFROQEE-UHFFFAOYSA-N	306.365	3.534	50	20	DHGD	
CC(C)(NC(=O)C1CCC(Cl)CC1)C(=O)c1ccccc1	1123887154	VSFXQOPXSZYBRD-UHFFFAOYSA-N	307.821	3.562	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1cncn1-c1ccccc1)C1CC1	1320641929	PVUKXOZMEQUMTD-UHFFFAOYSA-N	324.428	3.804	50	20	DHGD	
Cc1ccc(NNC(=O)[C@]2(C)CC[C@H](C)C2(C)C)cc1C(=O)O	1600461123	FKPLDAWESPAQOI-SGTLLEGYSA-N	318.417	3.599	50	20	DHGD	
O=C(Nc1ccc([C@@H]2C[C@H]2C(=O)O)cc1)C1CCC(Cl)CC1	1601608775	DXHDWCMGYCXSOC-CXTZMWEQSA-N	321.804	3.611	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1F	1777477130	PZTJJNIYOWDFHT-KPKJPENVSA-N	315.325	3.684	50	20	DHGD	
N#C/C(=C\c1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl	7164234	BUWYSSWCBFLMOV-IZZDOVSWSA-N	318.163	3.934	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2cccc(Cl)c2)cc1	30807552	DGMBAVKKNXUXEX-UHFFFAOYSA-N	302.761	3.662	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@@H](c1ccccc1)C1CC1	41704848	HUDCXYGNHMWRLE-WPNIOXTASA-N	318.376	3.567	50	20	DHGD	
N#Cc1cccc(CNC(=O)CCCC[C@@H]2CCSS2)c1	45217209	DGOORHZQAFSSAA-OAHLLOKOSA-N	320.483	3.889	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Oc2ccccc2Cl)c1	74351476	XBPPOJFLOGJSEW-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
N#CCc1ccc(NC(=O)NNc2nc3ccccc3s2)cc1	92224555	SAMXPKKDEOQUFH-UHFFFAOYSA-N	323.381	3.511	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1	105570937	OPSQABWXDFGOEZ-ZROIWOOFSA-N	311.362	3.633	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(O)c(F)c1	158679346	OSNFRCPUIXDZPD-RIYZIHGNSA-N	310.328	3.694	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)c3ccccc3n2)c1	159108619	JYQVTDWPXWQUBT-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
Cc1cnc(NC(=O)NNc2ccc(C(F)(F)F)cc2)s1	163423835	YXDPNMGKFLDGJH-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
CCn1nccc1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	178863810	RCYDBHTVMDYJFR-NTCAYCPXSA-N	316.364	3.602	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccccc1-c1ccccc1	180675870	QMVSLPUXKDQTHX-UHFFFAOYSA-N	304.353	3.897	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCc1cccc(O)c1	194469303	YWZAZSSZLRTIEX-AWEZNQCLSA-N	311.472	3.723	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc(OC)c1	194534138	MRVHYPFXKYASMZ-MKMNVTDBSA-N	311.312	3.633	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)cc1C	209647864	DZPITRTZEOXUDN-PTNGSMBKSA-N	322.364	3.558	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NOCc1ccccc1	247802870	WXFOHWFKOAIIPG-AWEZNQCLSA-N	311.472	3.949	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(F)c(F)c(F)c1	255340473	IOZOEXUBPQFXQW-WUXMJOGZSA-N	316.282	3.958	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cnc(-c2ccco2)s1	278501596	CWFOXTOJEMTCLB-DHZHZOJOSA-N	302.355	3.653	50	20	DHGD	
ClCCCOc1ccc(CN2CC[C@H]([C@@H]3CCOC3)C2)cc1	365651754	RPTZOAKLEACEKA-DLBZAZTESA-N	323.864	3.553	50	20	DHGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)N1CCCC1	491082764	JZCHYCSGCMHHLM-VMPITWQZSA-N	301.198	3.584	50	20	DHGD	
O=C(/C=C\c1ccc(O)cc1)NNc1c(Cl)cccc1Cl	492630616	ISCPXXGRQWYNHH-TWGQIWQCSA-N	323.179	3.856	50	20	DHGD	
COC(=O)N(C)N=Cc1c(Cl)cccc1SC(C)C	495746288	MGVBAXNAHXQQEO-UHFFFAOYSA-N	300.811	3.873	50	20	DHGD	
COc1ccccc1C(C)=NNC(=O)CCCc1ccccc1	727685447	NOKGZKSNWFQYKF-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1cccc(C(F)(F)F)c1	728431381	SWCPYKPUEPFZDJ-UHFFFAOYSA-N	300.324	3.982	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2cccc(OC(F)F)c2)c1	728434940	RUNPNFVDBNPWSU-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
C=CCCOC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	729072632	RYERVVLTGLKIFQ-SFQUDFHCSA-N	300.402	3.931	50	20	DHGD	
CCc1ccc(C=NNC(=O)CSc2ccc(C)cc2)s1	731151699	RJKKXLFNFNUVGB-UHFFFAOYSA-N	318.467	3.861	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)c2ccccc2F)ccc1[N+](=O)[O-]	731324192	JOSWFMCHIUZITC-LLVKDONJSA-N	303.289	3.751	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1cccc(Cl)c1	731487772	BTQMODOGHVVCGL-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc([N+](=O)[O-])c3)[nH]c12	735617240	WQIAPPKGNXRBLU-JYRVWZFOSA-N	304.309	3.844	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CSc2ccccc2)c(C)c1	743765467	RRXFXRRWKATCIX-UHFFFAOYSA-N	300.427	3.847	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCC(C)(C)C[C@@H]1C	748243978	FVTBJBBJVSTRKM-LBPRGKRZSA-N	312.417	3.575	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CC(C)(C)c1ccccc1	748571834	QTLAQJFXGHIYLN-UHFFFAOYSA-N	300.377	3.945	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2cccc(OC(F)F)c2)o1	752165807	UOUKTEKSZSXWAF-UHFFFAOYSA-N	322.311	3.597	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ncccc1C(F)(F)F	753805004	GVAKPLCBIBISEU-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1nc(-c2ccccc2)no1	755308334	OAXNDKZFEUUYNB-LBPRGKRZSA-N	316.405	3.642	50	20	DHGD	
COc1ccc2cc([C@H](C)C(=O)N3CC=C(C#N)CC3)ccc2c1	767157895	OTFJXYPYVXPGLY-AWEZNQCLSA-N	320.392	3.634	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccccc2OC(F)F)ncn1	773176438	MCROHUVVRBYCHF-IZZDOVSWSA-N	319.336	3.864	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)Cc1ccc(F)cc1	774346610	CTWLULWZUYTIHF-UHFFFAOYSA-N	304.287	3.593	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(C(=O)OC)c1	780801331	YPAWCBSXCHWHOT-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
CCSCc1ccccc1C(=O)NN(C)c1ccccc1	790538039	ASPMUJNWFFHLEJ-UHFFFAOYSA-N	300.427	3.721	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1O	791733337	JIPSYIATWLQNQF-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc(C)c(Cl)cc2C)c1	793712016	GJAJAENMZLPQOZ-UHFFFAOYSA-N	322.767	3.861	50	20	DHGD	
CCCN(N=Cc1ccc(N(C)C)s1)C(=O)OC(C)(C)C	794996269	FDQCLAMGLHDDGO-UHFFFAOYSA-N	311.451	3.795	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1nc(C(F)(F)F)cs1	795165660	YDQSJFYSSMPPFQ-IUCAKERBSA-N	321.368	3.821	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)cc1OC	799756035	QDOQZLQDBJLSDZ-UHFFFAOYSA-N	318.804	3.976	50	20	DHGD	
O=C(/C=C/c1cccc(CCl)c1)c1ccc(O)c([N+](=O)[O-])c1	799891578	GWEIWDCPVNARIZ-GQCTYLIASA-N	317.728	3.935	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCCF)c1ccc(O)c(Cl)c1	800813025	PXWVWDIMGAMVHC-JTQLQIEISA-N	312.772	3.681	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNC(=O)CCCc1ccccc1	804341794	KTCRMQACHAMCQO-UHFFFAOYSA-N	318.461	3.763	50	20	DHGD	
O=C(O)c1ccc(C(=O)/C=C\c2cccc(CCl)c2)c(O)c1	806559039	SKEBJZKGSDJDOF-DAXSKMNVSA-N	316.740	3.725	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cc1O	812246502	MXZSVSWUSBCVKC-IZZDOVSWSA-N	320.270	3.879	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(N(C)C)cc1	812769039	QYWTUKCDSMHLJY-UHFFFAOYSA-N	311.429	3.941	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)CSc2nc3ccccc3s2)C1	814723481	GOOZUILTAYERGE-SNVBAGLBSA-N	319.455	3.681	50	20	DHGD	
CCCC(=NNC(=O)c1cc2c(s1)CCC2)c1ccccn1	814738525	BYGYEFYSEZZATM-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)c2cccc3ncccc23)c1	814841101	AROXGLIRGOGZHH-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)CSc1ccccc1O	814970966	LCAYEHQNUDHWQT-OLZOCXBDSA-N	320.458	3.803	50	20	DHGD	
CCCCCC(C)=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	818250625	UIOPXKYTXLSYSL-OAHLLOKOSA-N	320.433	3.925	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3cccnc3Cl)CCC2)cc1	819573702	RWXGXVSBNIFZGC-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(/C#N)C(=O)NC1CCCC1	834740913	BSKQEEHXFZKLHU-QBFSEMIESA-N	308.381	3.961	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1csc(C(C)C)n1	836934594	PIIQPRGMMYFERB-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1cccc(Br)n1	837209858	DSVKROOSPPTRPF-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cccc(C#N)c3)cc2C1	839399798	AVBMTIKFHSNGMB-GFCCVEGCSA-N	323.421	3.508	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@@H]1CCCO[C@H]1c1ccccc1	844627693	OCKGEZPPBSXWBM-MOPGFXCFSA-N	322.408	3.613	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)c(F)c1)C(=O)C1CCCCC1	849179206	LLLRNYRCMQAWHV-MDWZMJQESA-N	301.317	3.580	50	20	DHGD	
C[C@@H](CBr)COC(=O)CC[C@@H]1CC1(Cl)Cl	849875325	GZWBIQMDTQEGDT-JGVFFNPUSA-N	318.038	3.535	50	20	DHGD	
Cc1ccc2occ(CC(=O)N(C)CC(Cl)Cl)c2c1	861734650	HZNVDHHOVIWRNJ-UHFFFAOYSA-N	300.185	3.546	50	20	DHGD	
CCc1cccc2c(C=NNC(=O)c3ccccc3C)c[nH]c12	916362106	PGIJPJJVTKBHTF-UHFFFAOYSA-N	305.381	3.803	50	20	DHGD	
Cc1cc(NNC(=O)CCCc2ccccn2)ccc1Cl	928341339	XSSADFLUCXIZID-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)C1(Sc2ccccc2)CC1	1320142144	JGQBFSLOLVYOBE-UHFFFAOYSA-N	319.817	3.503	50	20	DHGD	
C[C@H]1CC[C@@](C)(C(=O)NNC(=O)c2ccccc2Cl)C1(C)C	1324702659	ICZMDQFFRHUECY-GTNSWQLSSA-N	322.836	3.563	50	20	DHGD	
O=C(N[C@@H](c1ccncc1)C1CC1)c1cccc(CCl)c1	1336141643	LTYGXCOGSFYVLW-MRXNPFEDSA-N	300.789	3.702	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1[C@H](C)N(C)C(=O)CCl	1336910777	CPEYRSHOZQECQL-NSHDSACASA-N	308.834	3.877	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1nc2ccccc2[nH]1	1337000620	CFXXOIHYDMQSOD-LBPRGKRZSA-N	300.406	3.613	50	20	DHGD	
O=C(O)c1ccc(/C=C\c2ccc(OCCCCl)cc2)nc1	1602330731	NVAGVWSRLSNQCS-KXFIGUGUSA-N	317.772	3.958	50	20	DHGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)Nc1nccs1	3590782	XJZBPYZWOBGHIU-UVTDQMKNSA-N	305.362	3.842	50	20	DHGD	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1cccc(OC)c1	6950866	GLEKFSAEYYIPRX-RVDMUPIBSA-N	322.364	3.640	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnn(C(C)(C)C)c1	44022121	IPUROZBCXCLSGU-CXUHLZMHSA-N	322.412	3.801	50	20	DHGD	
Cc1cccc(NNC(=O)CSc2ccccc2Cl)c1	72514163	NPXYBHOGOXKBBA-UHFFFAOYSA-N	306.818	3.884	50	20	DHGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)NCc2ccccc2)cc1C	104752315	HLARZTDFMYVWLW-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CC(C)N(C)c1ccc(NC(=O)NNc2ccccc2)cc1F	120051160	KSOJEYULNLOIGZ-UHFFFAOYSA-N	316.380	3.819	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)cc1	125519334	AKIYSBUHZQRQCZ-OJNRTJSBSA-N	323.396	3.998	50	20	DHGD	
C[C@@H](CBr)CN1CCSC[C@@H]1c1ccccc1	133796632	LOKWOCGLOBQEBY-GXTWGEPZSA-N	314.292	3.808	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2cc(C)cc(C)c2)c1C	152670200	IQSWCUCZYNETNJ-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
CCOc1ccccc1NC(=O)NNc1c(F)cccc1F	153528354	GJZCXOVHNPCLDN-UHFFFAOYSA-N	307.300	3.512	50	20	DHGD	
CC(C)(C(=O)NNc1cccnc1Cl)c1cccc(Cl)c1	158635831	UOEUEJZVPFEDOQ-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2OC)c1C	170869620	OMGOKKQZAWGWQK-LFIBNONCSA-N	323.396	3.679	50	20	DHGD	
CCC[C@@H](C)C(=O)NNc1c(F)cc(F)cc1Br	174176842	GTGGORKZUWXAJZ-SSDOTTSWSA-N	321.165	3.607	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1Cl	264496454	WQMAEKDUUDSCOC-MJWAUXSNSA-N	307.777	3.879	50	20	DHGD	
Cc1cc(NC(=O)NNC(=O)CC2CC2)ccc1-c1ccccc1	273964869	GXOQGSWOWMVTBZ-UHFFFAOYSA-N	323.396	3.615	50	20	DHGD	
Cc1cccnc1NNC(=O)C(C)(C)c1cccc(Cl)c1F	276724479	MAFQQPJEPYPLNS-UHFFFAOYSA-N	321.783	3.603	50	20	DHGD	
C=C(CBr)CNC(C)(C)COCc1ccccc1	281546154	XGGYZDVTDTUHPI-UHFFFAOYSA-N	312.251	3.523	50	20	DHGD	
Cc1ccnc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)c1	297457111	KJVWWCWBBCDQEG-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21	729638194	FIDYZRNMUDXEHX-TWMKSMIVSA-N	321.424	3.570	50	20	DHGD	
CCCCc1ccc(C(=O)NN=c2cc[nH]c3ccccc23)cc1	730291100	XSGWEDXZDQYNHV-UHFFFAOYSA-N	319.408	3.756	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cccc(C)c1C	734296378	QNTFBNWCJLDNRD-UHFFFAOYSA-N	305.381	3.939	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)c(F)c2)cc1	734305388	SJYMURCBNGGEEX-MFOYZWKCSA-N	308.356	3.666	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OC2CCCC2)c(F)c1	742025485	HMUZDRBUXBMKCD-QXMHVHEDSA-N	318.348	3.530	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(Cl)c(F)c1	746699981	ONZYRSFJLQSNSE-YGRLFVJLSA-N	314.788	3.518	50	20	DHGD	
CCCC[C@H](CCC)NC(=O)NNC(=O)c1ccc(CC)cc1	748979926	ZYJWPKWKUYEPEM-INIZCTEOSA-N	319.449	3.552	50	20	DHGD	
COc1cccc(CN(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)c1	750033049	MAWBQILLCKHXPA-VCHYOVAHSA-N	323.352	3.600	50	20	DHGD	
CCCN(CC(=O)OC(C)(C)C)/C(=C/C#N)c1ccccc1	755315087	GNKXFXLMIWAEMQ-LFIBNONCSA-N	300.402	3.605	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)C1CCSCC1	757423513	YXWOIMGRXWHEOD-UHFFFAOYSA-N	317.366	3.797	50	20	DHGD	
CCC(CC)n1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)n1	769946257	PVFZPJUDRGGBSQ-UHFFFAOYSA-N	317.345	3.680	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3nccnc3C(C)C)oc2cc1C	772842989	XVJKPXVNBKHADD-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CCC(=NNC(=O)c1ccc(N)cc1)c1cccc2ccccc12	780188692	VLYQIFYRUGTJFS-UHFFFAOYSA-N	317.392	3.966	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C(C)(C)C(C)C	784448179	HTSNKOKUTUDLAF-UHFFFAOYSA-N	313.239	3.883	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cccc(Oc2ccccc2)c1	791221838	ZWADLFQCHSXEPW-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
C=C(CBr)CN(CC)Cc1c(F)cccc1F	791458306	LNYVMMZMIXERQT-UHFFFAOYSA-N	304.178	3.738	50	20	DHGD	
Cc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1O	791734106	QBDNURIQQAAPPA-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)[C@@H](F)CC1CCCCC1	793713630	SETJHSBQKZONGL-ZDUSSCGKSA-N	318.314	3.856	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@H]2CCCC[C@@H]21	794742786	UHNQTAYCSOSIHQ-HZSPNIEDSA-N	317.389	3.644	50	20	DHGD	
Cc1nc(-c2ccc(C(=O)NNc3ncccc3C)cc2)cs1	799729880	UUUXHPDHTSOXEK-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@H]1c1ccc(F)cc1	799757404	VIUSSMCGRFZGAR-DLBZAZTESA-N	312.388	3.943	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1OCCc2ccccc21	799758707	XNRLGQDXZBMTSX-GOSISDBHSA-N	324.424	3.705	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CCCSC1	810658088	FUBRTEXTTLNPKI-SSDOTTSWSA-N	323.220	3.719	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cccc(F)n1	812962603	VWOZUXDABWSTMU-UHFFFAOYSA-N	302.353	3.801	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCCC(C)(C)CO	813080883	IVLBBMHMGISYDQ-UHFFFAOYSA-N	321.465	3.543	50	20	DHGD	
CC[C@H](C)CONC(=O)NNc1ccc(Cl)cc1Cl	813824900	ANYSEVDKCIGDLV-QMMMGPOBSA-N	306.193	3.597	50	20	DHGD	
CC(C)(CCNC(=O)/C(C#N)=C\c1ccc(F)cc1)C1CC1	819149295	GEJZEUGXZWMQBP-KAMYIIQDSA-N	300.377	3.675	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)CC[C@H]1C	827181135	WUBFPXVFKUUQND-WOPDTQHZSA-N	312.360	3.803	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C(C)CC(C)(C)C	834966587	KRUCQBPOSAFZGZ-UHFFFAOYSA-N	308.447	3.716	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCc2ccc(F)cc2)c1	847602380	ZWARHJBBCCWBHB-UHFFFAOYSA-N	300.377	3.909	50	20	DHGD	
Cc1cc(C)c(C(=O)NC[C@@]2(C)C[C@@H]2Br)c(C)c1	857689004	IQBHNKLLONZSGL-SWLSCSKDSA-N	310.235	3.515	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	861526370	PTFDMRWMLWRXDP-FGTMMUONSA-N	306.409	3.586	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cnn(C3CCC3)c2)cc1	899337878	GZADUNMREZFBLS-MHWRWJLKSA-N	320.396	3.716	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(Cl)cc1Cl	916264181	BFLKAXDFQVHOJS-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)C2CC2)cc1OCCC	916289134	ADKRTNHLZVVENM-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CCC/C(C)=C/C(=O)NNC(=O)c1ccc(Cl)cc1Cl	920288322	RKTBJRQXHCJXSL-VQHVLOKHSA-N	315.200	3.501	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2cn(C)c3ccccc23)c1	921258439	GBTFTUDDOQJSOT-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(Cl)c(C)c2)CC1	928340876	HJKHWCHQQDTEQA-UHFFFAOYSA-N	310.825	3.687	50	20	DHGD	
COc1cccc(F)c1C(C)=NNC(=O)c1ccccc1Cl	1116130562	NTCOIHJTOOCECV-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(C(=O)O)c(F)c1	1777465102	HMUHNAHMXVOCDW-JYRVWZFOSA-N	309.296	3.622	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)cc1	6204679	FZNHBKKTJVRJLX-MHWRWJLKSA-N	306.365	3.863	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)o1	7164787	IXNDFSQQCZNVIZ-UXBLZVDNSA-N	304.708	3.926	50	20	DHGD	
N#C/C(=C\c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccn1	7918739	YVGIMINJYRHGCT-WYMLVPIESA-N	316.320	3.845	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNc2ncccc2Cl)cc1	114886027	KBQYYQNAIMJPQU-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2c(F)cccc2F)cc1	118509710	YDXZMZLWXRSZHD-UHFFFAOYSA-N	319.355	3.568	50	20	DHGD	
Cc1nc(C(C)(C)NC[C@H](C)CBr)sc1C	134002403	FDMCOTZRAKTYAN-MRVPVSSYSA-N	305.285	3.616	50	20	DHGD	
FC(F)(F)CO[C@H]1CCCCC[C@H]1I	158360450	CJDMWKMZXSPCKN-SFYZADRCSA-N	322.108	3.702	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)s1)NNc1c(F)cccc1F	255299617	PDHXDFDZOBJZGG-ALCCZGGFSA-N	314.744	3.836	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1cc2cc(C)c(C)cc2o1	255838124	LSCNCGJGSQDVOU-LIOBOASVSA-N	313.353	3.535	50	20	DHGD	
Cc1ccc2nc([C@H]3CC[C@H](Br)C3)nc(O)c2c1	277519827	NWDRQLDZVRTGCX-UWVGGRQHSA-N	307.191	3.675	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNC(=O)c2cccc3ccccc23)c1	303869992	MYOWALVHTPPSQT-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1ccc(Cl)cc1Cl	492542985	WCIXMXUFGSTZIG-GORDUTHDSA-N	322.195	3.853	50	20	DHGD	
CCc1ccc(NS(=O)(=O)CCCCCl)cc1Cl	691236449	ZMEJHNVZWSPCEG-UHFFFAOYSA-N	310.246	3.663	50	20	DHGD	
CCc1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)s1	731151345	NTGJTCVTDRIUMP-UHFFFAOYSA-N	306.818	3.657	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)[C@@H](C)CN2CCCCCC2)C1	734978704	SFZQOWAIUCLZJF-JKSUJKDBSA-N	307.482	3.571	50	20	DHGD	
C[C@]1(C(=O)NNc2cccc(Cl)c2)CCc2ccccc2C1	742516869	OPAJKTAUCZXSNY-SFHVURJKSA-N	314.816	3.978	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)c3ccc(O)cc3)oc2cc1C	749806602	FTYQBWFTGBLSOQ-UHFFFAOYSA-N	308.337	3.519	50	20	DHGD	
Cc1ccc(CN(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)cc1	750033896	YRUTVUXRCROADP-WOJGMQOQSA-N	307.353	3.900	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc3ccsc3[nH]2)cc1Cl	753315464	HNQXXYVMKYBEBD-UHFFFAOYSA-N	316.773	3.511	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNc1cnnc2ccccc12	758161438	FKCLPZPZHAGPAJ-LBPRGKRZSA-N	300.406	3.535	50	20	DHGD	
Cc1cnc(C2CCN(C[C@H](C)CBr)CC2)s1	763970946	JETMPNVXBRSTKM-SNVBAGLBSA-N	317.296	3.662	50	20	DHGD	
COc1ccc2nc(NNC(=O)C3(C)CCCC3)c(C)cc2c1	778477162	QIAGHJSVPLKDFG-UHFFFAOYSA-N	313.401	3.575	50	20	DHGD	
C[C@H](CBr)CN1CCc2cc(Cl)ccc2C1	792305703	CMKFIZQOKJYDAP-SNVBAGLBSA-N	302.643	3.729	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=Cc1cccc(F)c1	794777082	NFNVDWBLHFOSGO-UHFFFAOYSA-N	322.339	3.508	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=Cc1ccc2occc2c1	794863819	JTGWZXQPTKSALF-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1ccc(F)cc1	794936621	CMCLKOQDWBBRNT-OVCLIPMQSA-N	323.323	3.931	50	20	DHGD	
CC(C)(C#N)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	795193119	POTBQSJLZMLOSU-UHFFFAOYSA-N	313.788	3.898	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(COC)c1	799384426	FWIFLEQQVUTFRS-UHFFFAOYSA-N	313.401	3.852	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](CC)OC1CCCC1	799757369	SWGDEAQJDHVXOR-MRXNPFEDSA-N	304.434	3.738	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1ccccc1OC	799758539	PUTVOYGSPCUJKU-UHFFFAOYSA-N	312.413	3.642	50	20	DHGD	
C[C@@H](C[C@H]1CCOC1)NCc1ccc(OCCCCl)cc1	811484069	OYBIEJYGYWOJMM-GOEBONIOSA-N	311.853	3.599	50	20	DHGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2c(Cl)cccc2Cl)C1	815817975	RDXRWUZWHZMAKX-ZJUUUORDSA-N	317.216	3.642	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)c(F)c1	826589507	ICGLSWMKEQQATO-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1cc(F)c(F)c(F)c1	826596436	RKDHQUJHNLCNSS-ZCFIWIBFSA-N	314.229	3.526	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1ccc(OC)c(OC)c1	834920010	LOPMOMQIFWOKNL-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
COCC1CCC(=NNC(=O)c2ccc(C(C)(C)C)cc2)CC1	834927621	OKDMFEKQLLRMSJ-UHFFFAOYSA-N	316.445	3.907	50	20	DHGD	
CO[C@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C12CCC2	834941770	KJQOZTQUQYRZDH-KRWDZBQOSA-N	308.381	3.515	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cnn(C(F)F)c2)cc1	836487071	LIVTVCIOXAXCIT-UHFFFAOYSA-N	309.320	3.550	50	20	DHGD	
CCCCCCO[C@@H](C)C(=O)NNc1cc(F)c(F)c(F)c1	839695690	KEVKPGZLROXAFG-JTQLQIEISA-N	318.339	3.532	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CC[C@H]1CC1(Cl)Cl	855370913	LZPLQHGTFXEQBR-VIFPVBQESA-N	305.180	3.551	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccc(Cl)cn1	856093686	MWOBOGUQFHWMSP-HNNXBMFYSA-N	317.820	3.693	50	20	DHGD	
CC[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(C)cc1O	857081924	KEVWLGJBPHWPNT-NWANDNLSSA-N	312.251	3.915	50	20	DHGD	
C[C@]1(CNC(=O)CCCC2CCCC2)C[C@@H]1Br	857396763	GGUIPNCUFIXCQK-GXTWGEPZSA-N	302.256	3.637	50	20	DHGD	
Cc1cc(NNC(=O)Nc2nnc(C3CC3)s2)ccc1Cl	902922693	VYCFUTBXILVLRR-UHFFFAOYSA-N	323.809	3.526	50	20	DHGD	
CC#CCCCC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583627	YSGQPMCBESMULS-HNNXBMFYSA-N	309.526	3.803	50	20	DHGD	
Cc1cc(OC(=O)c2cc3ccsc3[nH]2)ccc1[N+](=O)[O-]	917027716	HCBXHWHVBKBRKR-UHFFFAOYSA-N	302.311	3.665	50	20	DHGD	
CC(C)CC(=NNC(=O)NCc1ccco1)c1cccs1	920828970	IZNPWTJFCVCBAS-UHFFFAOYSA-N	305.403	3.591	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CCCc3cccnc32)ccc1Cl	928339810	KRQFCAIGMHYRGO-AWEZNQCLSA-N	315.804	3.607	50	20	DHGD	
COC(=O)[C@H](C)c1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1521666621	LPOBAOFSACAOHA-LMWSTFAQSA-N	323.820	3.699	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)c(Cl)c1	1594791627	OCFKKRMCDSSBPC-XFFZJAGNSA-N	305.761	3.950	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2cc(F)ccc2[nH]1	119103619	RNRDBUKTSPVXTK-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
Cc1ccc(NNC(=O)CSc2ccccc2Cl)cc1	120425772	NXVLQSJVPBRVEB-UHFFFAOYSA-N	306.818	3.884	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1cc(F)cc(F)c1	151353211	GMLPLCSLAHRQJB-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1nc(C(F)(F)F)cs1	152866505	HWDOMDYZSOSKSM-UHFFFAOYSA-N	309.357	3.821	50	20	DHGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1ccccc1F	153100397	SEBBVUSSMURWRH-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc2cc[nH]c12	153598034	JEQPYMQPIHQXNM-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
CCC[C@H](C(=O)NNc1cc(F)cc(OC)c1)c1ccccc1	156559837	PRKHGSOHBKFVEB-KRWDZBQOSA-N	316.376	3.861	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCOc2ccccc2F)c1	159125242	LJAVQGHAWPIEDL-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cnn(C(C)C)c2)cc1	171981278	HNFCVSJDLPPYAM-CXUHLZMHSA-N	308.385	3.572	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3c(C)cccc3F)c[nH]c2c1	184310244	VWCPJQKVQKEBNK-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2cccs2)on1	184385539	PBQMFMVSLGJQJC-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)c1nc(C)cs1	195405876	RQLKWYHZSLHZDE-WUXMJOGZSA-N	315.354	3.823	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2cccc(Br)c2)c1	254763157	DTNGWFIXROFJLW-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1)c1ccccc1	254958341	OKADMQHYMWLISO-GHXNOFRVSA-N	316.282	3.674	50	20	DHGD	
N#CC1=CCN(C(=O)CCCCCc2ccc(F)cc2)CC1	275274007	CLRGUEJGEYCSEK-UHFFFAOYSA-N	300.377	3.611	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1scnc1C)c1ccccc1	490696131	NYJIWYVXDPSQSW-KQGZCTBQSA-N	311.410	3.626	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1cccc(-c2ccccc2C)c1	729641599	PCPYMFKALPPYAX-QGOAFFKASA-N	302.377	3.871	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1cccc(Br)c1	741767736	MHGGURJWZHZOQG-UHFFFAOYSA-N	309.207	3.911	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cn(C)c2ccccc12)c1ccccc1	744781235	TVAZSXXDSRXMME-AWEZNQCLSA-N	305.381	3.698	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)CCOc2ccccc2)cc1	747059794	YOUHXKQRPSRSNX-UHFFFAOYSA-N	324.424	3.903	50	20	DHGD	
CCC(C)(C)C1CCC(=NNC(=O)Cc2ccncc2)CC1	747642240	QDRULYQGCOIGRB-UHFFFAOYSA-N	301.434	3.723	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNC(=O)OC(C)(C)C	754173937	MUPVDKQIBXNKSV-STQMWFEESA-N	318.417	3.532	50	20	DHGD	
C=CCCC(=NNC(=O)CSc1ccccc1OC)C1CC1	761272555	LKJVWKNLZWVXOO-UHFFFAOYSA-N	318.442	3.636	50	20	DHGD	
Cc1c(-c2ccccc2)sc2ncn(C/C=C\C#N)c(=O)c12	763298121	MBJGOMNKLJHUEF-WAYWQWQTSA-N	307.378	3.513	50	20	DHGD	
COCc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)o1	764416408	GQJWOCMNXUACBZ-LCYFTJDESA-N	307.309	3.540	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C1	764787571	ZTPOBHPUBUJUGQ-LLVKDONJSA-N	316.430	3.824	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C2CC(C(F)F)C2)cc1	766009509	ZXVPKOIVMWTCIQ-UHFFFAOYSA-N	324.371	3.872	50	20	DHGD	
CCSCC[C@@H](C)NC(=O)NNc1c(F)cccc1Cl	771330402	HKQPNIZHMUGLSF-SECBINFHSA-N	319.833	3.637	50	20	DHGD	
CCc1nc(NC(=O)[C@@H](Br)C(C)(C)C)sc1C	781078541	BQZKFBWFQPUIBD-SECBINFHSA-N	319.268	3.762	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@H]1CC[C@H](CC)CC1)c1ccccc1	782468266	CJWGXHSYIISCMQ-DJIMGWMZSA-N	316.445	3.544	50	20	DHGD	
CC[C@H]1CCC[C@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	783772804	JPIKYGOCYXDSKC-STQMWFEESA-N	303.362	3.527	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@@H](C)C1CCCCC1	788189163	FPZNWZUZMXVOHY-GFCCVEGCSA-N	308.397	3.884	50	20	DHGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2cc(Cl)cc(Cl)c2)O1	791726399	IEDBBKWNNNFQBD-RNCFNFMXSA-N	317.216	3.784	50	20	DHGD	
CC[C@H](C)Oc1cccc(NC(=O)NNc2ncccc2C)c1	792267651	IUBDSXZFJOETHL-ZDUSSCGKSA-N	314.389	3.716	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/C=C/c1ccc(F)c(F)c1	794696249	CXKFFCGASRODOI-AVJLEEFCSA-N	304.340	3.734	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(/C#N)C(=O)C(C)(C)CC)c1C	794882102	ZPCBKOSMXZOUPI-LCYFTJDESA-N	316.401	3.721	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)cc1)C(=O)c1ccc2ncccc2c1	794883305	AGOGDOZTXVMDMX-ZDLGFXPLSA-N	309.328	3.896	50	20	DHGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)C1CCOCC1	794952493	FHAAYXXWGRFMEP-JYRVWZFOSA-N	309.287	3.608	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(-c2ccccc2)nn1	795165432	MNOFUJAVAFHTOD-ZBFHGGJFSA-N	324.428	3.803	50	20	DHGD	
C=C(CBr)COC(=O)c1ccccc1C(F)(F)F	795344131	BBYPMYAWFKHJEL-UHFFFAOYSA-N	323.108	3.813	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	807975752	GCTUMLMPDRNJPZ-CYBMUJFWSA-N	310.401	3.599	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1cccc(Cl)c1F	810685021	PEOAVJSCCVWPKV-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
CC[C@H]1CN(Cc2ccc(OCCCCl)cc2)CCCO1	811500941	ORLUJJHMNGVVDB-INIZCTEOSA-N	311.853	3.695	50	20	DHGD	
CC(C)(CCC(=O)NNc1cccc(Cl)n1)c1ccccc1	817008090	DEOODDWSYDTGNG-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCc2cc(F)ccc21	830802098	UCXSSZKVKKPIFV-GOSISDBHSA-N	324.399	3.878	50	20	DHGD	
C=CCC1(C(=O)NNC(=O)Nc2ccccc2C)CCCCC1	831754505	RKAXKYAJRUBBQB-UHFFFAOYSA-N	315.417	3.674	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2c(C)cccc2Cl)o1	836936016	FFQNJRJTQKHYOS-UHFFFAOYSA-N	307.781	3.654	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(C(C)C)cc1	837054445	ZKZCKAPTXNUQPK-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC2CCC(C#N)CC2)cc1	838578210	JCKOXWRPZKSJAS-UHFFFAOYSA-N	314.433	3.766	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(C)o1	843270333	UVPJWGMIVQBHDA-CJAAZZPWSA-N	311.385	3.901	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc(C2CC2)c1	857474036	OYPBMSWVWNODBA-UHFFFAOYSA-N	318.323	3.922	50	20	DHGD	
CC#CCCCC(=O)NNc1ccc(OCc2ccccc2)cc1	862518338	BTKGCSXWUJXLRG-UHFFFAOYSA-N	322.408	3.902	50	20	DHGD	
CSCc1ccc(NC(=O)[C@@]2(C)C[C@@H]2Br)cc1	906535801	ZONXBPIKGRJRFY-AAEUAGOBSA-N	314.248	3.662	50	20	DHGD	
CCOc1cc(C=NNC(=O)CC(C)C)ccc1OCC(C)C	916344095	MFPOGHPBVIYQAT-UHFFFAOYSA-N	320.433	3.616	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(C)C)nc1O	935818679	IKACIFMDWDEQSL-UHFFFAOYSA-N	313.401	3.538	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(COc2ccc3ccccc3c2)o1	1118126959	JOQZLZMEMBKGNJ-RVDMUPIBSA-N	321.336	3.703	50	20	DHGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)Cc2ccccc2O1	1123886574	GFNJACLQCVAPMS-DNOWBOINSA-N	307.821	3.594	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2cncn2-c2ccccc2)C1	1321099864	NSWSYVMJQIPZIT-HNNXBMFYSA-N	324.428	3.804	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnn2C2CCCC2)cc1Cl	1333548755	NENLWRJINJARDE-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1n[nH]c2c1CCCC2	1337165795	VMHOKERNZGMVBX-QUVZVDGRSA-N	314.433	3.697	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2snnc2C(C)C)cc1	1339030280	RSBNEKHGIWEHDJ-UHFFFAOYSA-N	304.419	3.542	50	20	DHGD	
C/C(C#N)=C/CSc1ccc(Br)cc1C(=O)O	1589323700	KOETZDOXKFXUFN-YWEYNIOJSA-N	312.188	3.709	50	20	DHGD	
CC(C)CCn1ccc(NC(=O)NNc2ccccc2Cl)n1	92929943	PZQJJSYSOBSMLY-UHFFFAOYSA-N	321.812	3.731	50	20	DHGD	
C[C@H](CSc1ccccc1)C(=O)NNc1ccc(F)cc1	110619929	PKHGDADMFOHPNH-GFCCVEGCSA-N	304.390	3.697	50	20	DHGD	
O=C(CCCOCc1ccccc1)NNc1ccc(Cl)cc1	120380031	SHQIKHGLWUADPF-UHFFFAOYSA-N	318.804	3.780	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H](C)C#N)c(C)n1C1CCCCC1	125439861	NEEKLUWTGYXZCM-NWRYFCBHSA-N	324.428	3.545	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1F	134090334	WOKONKZRAZJHFO-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2ccc(F)cc2F)c1C	152666167	RXYRYHNXBNXHOB-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1F	153653709	SVTPFMRATHQTDB-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCOCCC1(C(=O)NNc2cc(C)ccc2C)CCCC1	159264005	KYJBUDSXSCDUOG-UHFFFAOYSA-N	304.434	3.734	50	20	DHGD	
CS[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	183057842	ZXAYIXMZUQGBRW-KTDOTMJKSA-N	318.417	3.523	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1cccs1	188068938	QSHRHPQNWWCFCN-WSYSLRRZSA-N	324.405	3.724	50	20	DHGD	
CC[C@@H](C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	189676171	INEBCDYJCBDBLD-SNVBAGLBSA-N	304.312	3.507	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(-c2cccnc2)c1	255695820	XCBNYRDYNPAGEH-PDGQHHTCSA-N	305.381	3.572	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccccc2)C1	255778877	VLRYGOSGVYHFHD-AEUYPJEVSA-N	319.364	3.949	50	20	DHGD	
CCc1ncc(NC(=O)CCCC[C@H]2CCSS2)cn1	269567887	GEKUGOBQXJHQBZ-LBPRGKRZSA-N	311.476	3.692	50	20	DHGD	
CCN(C(=O)[C@H](Br)C(C)(C)C)c1nc(C)cs1	274551628	DQJHPFQLPCWQMV-VIFPVBQESA-N	319.268	3.614	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCCC(F)(F)C1	282473178	LTTHKBFLEFGMID-CYBMUJFWSA-N	308.372	3.834	50	20	DHGD	
C[C@H](CBr)CN1CC[C@H](C(F)(F)F)C1(C)C	309128423	BIJJBJICYGGJPR-BDAKNGLRSA-N	302.178	3.680	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C\SCc1ccco1	492714867	YCOYDZQDYKGGLY-CLFYSBASSA-N	306.362	3.617	50	20	DHGD	
O=C(/C=C\c1cccc(O)c1)NNc1cc(Cl)cc(Cl)c1	493485328	KICRXXHYVZDCHP-PLNGDYQASA-N	323.179	3.856	50	20	DHGD	
CSc1ccccc1C(=O)/C=C\c1cnn(CCCl)c1	588617976	NYNALZIWURVLMT-SREVYHEPSA-N	306.818	3.740	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cccc(C(F)F)c1	729533119	UQLZGMAZUHXBKZ-UHFFFAOYSA-N	316.229	3.798	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C)cc1	734093585	NLLMJFQCFWFPQJ-UHFFFAOYSA-N	316.788	3.898	50	20	DHGD	
O=C(Cc1ccccc1F)NN=C(CC1CC1)c1ccccc1	735971638	OVEIZIITMKEQND-UHFFFAOYSA-N	310.372	3.689	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H]1C[C@@H]1C1CCCCC1	745857957	NHYYAGBJBFGNQI-DOMZBBRYSA-N	307.825	3.935	50	20	DHGD	
Cc1ccc(C)c(OCCC(=O)NNc2ccc(F)cc2C)c1	748548955	CBFIHUJGSIXVOA-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CCC(=O)NN=C(C)[C@H](C)Oc1ccc(Cl)cc1Cl	749857923	JOHJQXMXZFKYME-VIFPVBQESA-N	303.189	3.663	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCN(Cc2ccccc2)CC1	750600005	OURHKUQBOATAJD-KEBDBYFISA-N	321.399	3.508	50	20	DHGD	
N#CC(C#N)=CNCCc1ccc(Oc2ccc(F)cc2)cc1	751524371	UNAOINBZBMTWNS-UHFFFAOYSA-N	307.328	3.681	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H]1CCCSC1	753037007	LPHHLBLNYWVKQQ-SECBINFHSA-N	320.245	3.515	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(F)cc(F)c1	755403908	IRFQBEGONNXKNO-UTULFYGDSA-N	304.340	3.567	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2c(C)cccc2C)c1	755570152	DYZSCAFAJTYZPT-XNTDXEJSSA-N	306.365	3.858	50	20	DHGD	
C[C@H](CC=NNC(=O)c1ccc(Cl)nc1)c1ccccc1	755649090	AMFVPGKPHKDDKM-GFCCVEGCSA-N	301.777	3.644	50	20	DHGD	
COC(C)(C)CN(C)C(=O)CCCC[C@H]1CCSS1	758868492	YQJASLWJZDRUAR-LBPRGKRZSA-N	305.509	3.584	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	759152098	YBBNTRNMVQZAIK-UWVGGRQHSA-N	311.769	3.518	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	768010446	FJFJJCVZZZIZJN-QMMMGPOBSA-N	323.195	3.781	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2c(F)cccc2F)cc1	768118883	BCOUHVISMOPECO-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(OCC(F)(F)F)c2)c1	770966041	QABJJXQOGLXTSB-UHFFFAOYSA-N	324.302	3.693	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CC4(CCC4)C3)n[nH]2)cc1	772843577	JEPPIQQXVMAJDS-UHFFFAOYSA-N	322.412	3.689	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)C1CCCCCC1	779208737	GVYPAKIZLFQZNO-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@@H](C)[C@@H]1C	781124144	XLYRESSFYQXZIH-MNOVXSKESA-N	308.809	3.891	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNc1ncncc1Cl	781830537	WGRLXKRRQOBRCR-CYBMUJFWSA-N	324.856	3.816	50	20	DHGD	
CCCC(=NNC(=O)Cc1ccccc1OC)c1ccsc1	785453624	PCQVLFWOWSTBRH-UHFFFAOYSA-N	316.426	3.620	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1cc(Cl)cc(Cl)c1	791727000	QQZHKVKTRNCIPG-MRVPVSSYSA-N	307.246	3.968	50	20	DHGD	
COc1csc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791727248	TXHSUIGWUHLHFE-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cscc1Br	794688148	XNWRTKZVRISEHH-UITAMQMPSA-N	314.204	3.761	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCC[C@@H]2CCF)c1C	794880530	QNCPXDQNEWWXOV-LSDHHAIUSA-N	320.408	3.703	50	20	DHGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)c1ccoc1	798230579	SATGJMZFMTXBJI-GHXNOFRVSA-N	302.127	3.832	50	20	DHGD	
C[C@@H](C(=O)NNc1ncccc1F)c1ccc2ccccc2c1	804213384	NDBOEHHVFBMTCM-GFCCVEGCSA-N	309.344	3.621	50	20	DHGD	
Cc1cc(NC(=O)[C@@H](Br)C(C)(C)C)nn1C(C)C	817701503	INGPCBIHBBHZAL-LLVKDONJSA-N	316.243	3.521	50	20	DHGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1cc(Cl)cc(Cl)c1	828555511	STCYWRZFIXRFHW-CPCISQLKSA-N	320.245	3.514	50	20	DHGD	
CC(C)C[C@@]1(C)CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	834329295	MLOCXXSUAUYWQC-KZIRBZLESA-N	312.413	3.726	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)ccc1O	834744968	XIEAOVWXWFTBAQ-UVTDQMKNSA-N	315.369	3.574	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2c(C)cccc2Cl)C1	836937575	YWHKYQZKCJKTKA-QWHCGFSZSA-N	310.825	3.687	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc(O)nc(C(C)C)c2)cc1	837053957	YPRIPUITSRJQBA-UHFFFAOYSA-N	313.401	3.791	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2CC3(CCC3)C2)cc1C(F)(F)F	843833781	XIANUIONDZFHOO-UHFFFAOYSA-N	323.318	3.600	50	20	DHGD	
COC[C@H](C)Oc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1	853002892	YIJRXTRJFDAPQA-LIOBOASVSA-N	314.410	3.929	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2ccc(C)c(F)c2)s1	853473350	OTJOWJUXRYRAMW-LLVKDONJSA-N	307.394	3.891	50	20	DHGD	
C[C@]1(CNC(=O)CCCC2CCCC2)C[C@H]1Br	857396766	GGUIPNCUFIXCQK-TZMCWYRMSA-N	302.256	3.637	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2Br)C[C@H]2CC[C@H]1C2	860314402	NSPMRZKWBHFSJJ-PGUXBMHVSA-N	323.234	3.719	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(OC(F)F)cc2)C[C@H]2CC[C@H]1C2	860324920	PUOWDMHTXDPBEE-XMZIXOGTSA-N	310.344	3.557	50	20	DHGD	
Cc1ncccc1CNC(=O)CCCC[C@@H]1CCSS1	862951325	ATVVCYOXQOMYOA-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C	912630365	HRZHSEBELLEVEB-PDGQHHTCSA-N	319.408	3.612	50	20	DHGD	
CO[C@H]1CCCCC1=NNC(=O)c1ccc(C(C)(C)C)cc1	915946352	GUDTZUPZTUWGPD-INIZCTEOSA-N	302.418	3.659	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1cc2ccccc2o1	916280430	CXEZKBSBCJMQQI-UHFFFAOYSA-N	321.380	3.653	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)c(C)c2)C1	928339479	FJWOLZXYZQXBRT-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
Cc1cccc(-c2nnc([C@@H](Br)C(C)(C)C)o2)n1	1325798719	MERPQPIRRSTAFH-SNVBAGLBSA-N	310.195	3.922	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(-c2ccc(Cl)cc2Cl)o1	1326079595	FEWSRQORHFUOCI-BQYQJAHWSA-N	310.140	3.944	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1cncn1-c1ccccc1	1344437501	GHPJVHPAZLTRFK-UHFFFAOYSA-N	310.401	3.724	50	20	DHGD	
O=C(N[C@H]1C[C@H](c2ccc(F)cc2)C1)C1CCC(Cl)CC1	1352242023	PHZBPKYJBCGILH-JDOUNRBASA-N	309.812	3.986	50	20	DHGD	
Cc1c(NNC(=O)[C@H](C)CCC(C)(C)C)cccc1C(=O)O	1600050655	GIUSDWKZDFZUTB-LLVKDONJSA-N	306.406	3.599	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1cccnc1	72785291	FIHPGPPYBBGYSW-OCCSQVGLSA-N	310.488	3.973	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	80024819	PPNUTZZHGDAAKN-UHFFFAOYSA-N	320.339	3.899	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CC[C@H](C)c2ccccc2)c1	118976891	ZGHWWYLPHPNDIE-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1cncc(F)c1	125383790	BUJMMFZNWCVKGS-UHFFFAOYSA-N	312.256	3.501	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c([N+](=O)[O-])c1	125471670	VPDJRFJOZHFWHG-ZWSXMNCCSA-N	302.330	3.516	50	20	DHGD	
CCN(c1ccc(C(=O)NNc2ccc(F)cc2)cc1)C(C)C	126021942	UGYZCUNZPZVFCK-UHFFFAOYSA-N	315.392	3.817	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)ccc1Cl	133040743	MIEUMDUUQVNZDW-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccc(Cl)c1	155916193	DRQGYUDHCLVZNP-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2ccccc2Cl)c1	158566912	VTDYGBKSNZAOHL-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccn(C2CCCC2)n1	159853522	SQBBJEMPCKGPFK-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)o1	255906432	QLPFCKBCNCEGBA-KHZOTCODSA-N	321.332	3.922	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(C)cc1-c1cnn(C)c1	282681527	QGCQUCGTGDMJMI-BRYYZUPOSA-N	307.397	3.918	50	20	DHGD	
COc1ccc2cccc(CC(=O)NCCSSC)c2c1	284294524	ZOVDZGCTSIMVNC-UHFFFAOYSA-N	321.467	3.518	50	20	DHGD	
CC(=O)c1cc([N+](=O)[O-])ccc1OC(=O)O[C@@H](C)CC(C)C	295114068	HXSQNSXQSVNZJS-JTQLQIEISA-N	309.318	3.747	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1cccc(C(F)(F)F)c1	301219066	WZSHNNRHIARHFW-SDDRHHMPSA-N	312.335	3.975	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC=C(c2ccccc2)C1	372101469	ICCHHUJESODXFA-AWEZNQCLSA-N	322.246	3.722	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1CCC(F)(F)CC1	490938422	FFLBDYJHIIAHJW-ZROIWOOFSA-N	322.330	3.674	50	20	DHGD	
O=C(/C=C\c1ccsc1)NNc1ccc(OC(F)F)cc1	492915812	XZLFJZRNUIDJMM-BHQIHCQQSA-N	310.325	3.506	50	20	DHGD	
CC(C)CCC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	588515093	LLFAMPAONBIRCK-DSQDWWTGSA-N	300.402	3.630	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	588555069	DLPMYFSPPGPFIB-ZROIWOOFSA-N	321.398	3.853	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	588598249	MYAXWXCNRHCEGQ-LWLPBDFMSA-N	320.323	3.906	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CCC[C@H]2C)cc1OC	729143733	MJQCOWMKSRTBBB-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCC[C@H](C2CC2)C1	737423469	UDKMSYUPLLUGSP-AWEZNQCLSA-N	309.413	3.783	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1nccc2ccccc12	740764580	YSTBQXJMLCWWJQ-DEKNZBOESA-N	319.408	3.837	50	20	DHGD	
CC(=NNC(=O)N(C)C)c1ccc(-c2ccc(F)cc2)s1	745602655	UVOVTUHEKDOZQI-UHFFFAOYSA-N	305.378	3.549	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cc(Br)c[nH]1	748250595	OLINUOMNYSIJLK-VIFPVBQESA-N	314.227	3.709	50	20	DHGD	
CS[C@H]1CCCCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)C1	749465732	IIPUOJFLUYCRDL-MDNIKOHYSA-N	317.414	3.677	50	20	DHGD	
Cn1ccc2c(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cccc21	751912486	UFXBIDMTWAAXTR-KAMYIIQDSA-N	319.339	3.863	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(C#N)c(Cl)c2)C1	753316952	HWTKYZSUQNDODD-VXGBXAGGSA-N	305.809	3.871	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(N)cc1C)c1ccccc1	758111866	ZWVOOLJJLXZLEJ-KRWDZBQOSA-N	309.413	3.611	50	20	DHGD	
O=C(NN=C(CC(F)(F)F)c1ccc(Cl)cc1)C1CCC1	763364634	SRFAGCGAVNNLTK-UHFFFAOYSA-N	318.726	3.913	50	20	DHGD	
COc1cc(C)ccc1C(C)=NNC(=O)c1c[nH]c2ccccc12	767051602	IPQKUKVRGUZTEC-UHFFFAOYSA-N	321.380	3.639	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NNc1ccccc1Cl	768312357	YIKYSEVRIAUHOL-JTQLQIEISA-N	319.630	3.593	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@@H]1CCc2ccccc21	770373882	HVKXGWQBROJPGV-AAEUAGOBSA-N	311.219	3.681	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccccc1Br	773455506	ISDGKIMMTQXCDN-SNVBAGLBSA-N	311.223	3.719	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1ccccc1F	775781702	SLLNOYKATWCSLS-CQSZACIVSA-N	300.377	3.928	50	20	DHGD	
N#CC1=CCN(C(=O)c2sc3cc(F)ccc3c2Cl)CC1	780688226	ALUZYLLLIVYYFK-UHFFFAOYSA-N	320.776	3.990	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCCC(Cl)(Cl)Cl	785378835	NRTVVYKUCQBFSB-FLIBITNWSA-N	318.587	3.897	50	20	DHGD	
Cc1cc2n[nH]cc2cc1NC(=O)[C@H](Br)C(C)(C)C	791056087	TYVOLHRFSSXLTF-LBPRGKRZSA-N	324.222	3.619	50	20	DHGD	
CSSCCNC(=O)c1ccnc(SC(C)(C)C)c1	791152095	HSXSPVPNGRRGAC-UHFFFAOYSA-N	316.517	3.713	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)c1nc(-c2ccccc2)cs1	794686292	NBNPHZVPIUXXAJ-RIYZIHGNSA-N	306.394	3.916	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)[C@H]1CCCOC1	794952974	JOQGEITZFFNJGX-JGWKKKPCSA-N	303.789	3.860	50	20	DHGD	
CSc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)s1	798232588	XVFIEUMZAKWJMD-LUAWRHEFSA-N	306.456	3.826	50	20	DHGD	
CC/C(=C/C(=O)NNC(=O)Nc1ccccc1)c1ccc(C)cc1	801986349	IVPZFZXGCQUYEG-SQFISAMPSA-N	323.396	3.641	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(F)n1)Cc1ccc(Cl)cc1	804772843	BDCWPSDBKTZZDE-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
COC(=O)c1coc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1	812247131	ZLWHFVJXAWSBQV-WTKPLQERSA-N	322.242	3.544	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2c(Cl)cccc2Cl)o1	815818146	ZNEYOTHSMPGASR-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc(Cl)ccc1Cl	817011926	PPDUSZFOMPQHQF-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)c1	826909482	RDYZDMIFVFAYKW-LBPRGKRZSA-N	305.180	3.551	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(F)cc1SC	832163785	YPWNHOBZIREBTJ-UHFFFAOYSA-N	306.453	3.680	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(C(F)(F)F)ccn1)C(C)(C)C	832963029	QAJADFRHLYXLLY-VQHVLOKHSA-N	301.312	3.536	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2ccc(F)cc2)c2ccccc2O1	839487301	KMQFIKVAPAIYRS-HNNXBMFYSA-N	314.360	3.614	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cnc2cccc(F)c2c1=O	840201150	LDLXOGPHZSNTGN-UHFFFAOYSA-N	322.456	3.557	50	20	DHGD	
C[C@H](CCCc1cccnc1)NC[C@]1(C)C[C@H]1Br	852161613	QZNNYZHGGMZRCR-YUELXQCFSA-N	311.267	3.556	50	20	DHGD	
CC(=O)c1c(F)cccc1NC[C@]1(C)C[C@@H]1Br	856785270	HZPYFVVZPFCKOO-AAEUAGOBSA-N	300.171	3.614	50	20	DHGD	
N#C/C(=C/c1ccsc1C(F)(F)F)C(=O)[C@@H]1CCCOC1	863190274	QKBSLEWHJYEWPO-CHPNCVJKSA-N	315.316	3.670	50	20	DHGD	
C=C1CCC(C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	898016380	ZNGGTLYFUYJKAS-UHFFFAOYSA-N	300.189	3.578	50	20	DHGD	
CCC(=O)NN=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	915916897	WDJIRAKWIFVCIE-UHFFFAOYSA-N	303.793	3.608	50	20	DHGD	
Cc1ccccc1CN(C)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	916147040	PRPDQTINANJBTI-ZDLGFXPLSA-N	307.353	3.900	50	20	DHGD	
Cc1ccc([C@@H](NC(=O)NNc2ccc(F)cc2)C2CC2)cc1	916234997	WIXCBSUADLWEHW-QGZVFWFLSA-N	313.376	3.912	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1COc1ccccc1	917606060	GWWQBTXZHKOOMB-DTQAZKPQSA-N	322.364	3.648	50	20	DHGD	
N#CC(C#N)=CNc1nc2c(s1)C[C@@H](c1ccccc1)CC2	921298720	LWDYIBLUAPVAIM-AWEZNQCLSA-N	306.394	3.759	50	20	DHGD	
OC/C=C\CNCc1cccc(S(F)(F)(F)(F)F)c1	922241255	VRHOWOXOBNKXGR-UPHRSURJSA-N	303.296	3.982	50	20	DHGD	
O=C(CCl)Nc1ccc(Sc2nncs2)c(Cl)c1	1320466394	JHJNULWRVBQCJD-UHFFFAOYSA-N	320.226	3.520	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NOC(C)C)c(C)n1CCC(C)C	1324792253	QXQXNKTYOMXJEJ-LICLKQGHSA-N	317.433	3.514	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(CC[C@@H]2CCOC2)C1	1326387671	KWVHFSVHQAJOJV-CVEARBPZSA-N	313.558	3.899	50	20	DHGD	
N#C/C(=C\c1cccc2ccoc12)c1nnc2n1CCCCC2	1328084176	FKJAXUXIAFXWFC-RVDMUPIBSA-N	304.353	3.815	50	20	DHGD	
C[C@H](CBr)CN1Cc2ccccc2C2(CCC2)C1	1340976816	NSQQTJHQGVFBJG-CYBMUJFWSA-N	308.263	3.955	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2ccc(C(F)(F)F)cc2)c1	73024213	KIUDENNEBBABJI-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
BrCc1cc2cc(Br)ccc2cn1	95935929	BKPCRCHDOBFKHP-UHFFFAOYSA-N	300.981	3.892	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c(C)o1	134282801	SMZPTBCVIQKWPS-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)c2c(F)cccc2F)c1	134715375	GDLPWPJXBCJBJK-GFCCVEGCSA-N	304.340	3.828	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C(C)(C)c2cccc(F)c2)c1	158805116	KOUJIIAKJCBEOR-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1SCCc2ccccc21	173282535	HVQLCZVNEKEBPN-OAHLLOKOSA-N	318.829	3.814	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1coc2ccccc12	175399240	FKMKPWOVNHDLLV-UHFFFAOYSA-N	304.708	3.982	50	20	DHGD	
CC(C)n1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cn1	189401946	JHTUIJFZTAXNDX-UHFFFAOYSA-N	300.406	3.518	50	20	DHGD	
CCCc1cccc(C(C)C)c1NC(=O)NNC(=O)OCC	189958368	UKJNHBILOBFAEN-UHFFFAOYSA-N	307.394	3.545	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1cc(-c2ccccc2)cs1	193581402	UGBHCSYWFFXBSS-MLPAPPSSSA-N	302.362	3.582	50	20	DHGD	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c(C)c(C)c1O	194873430	ZIHNBYDPYWJSKT-DHDCSXOGSA-N	322.364	3.569	50	20	DHGD	
CC(=NNC(=O)c1cc(C)n(-c2ccccc2)c1C)c1ccc[nH]1	252475241	WPUSIWVUSRIENY-UHFFFAOYSA-N	320.396	3.576	50	20	DHGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2ccccc2Cl)CCO1	272887829	WLOMHRJVTJGSFG-WFASDCNBSA-N	310.825	3.624	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1c(F)cccc1OC(F)(F)F	295770064	BOQDXEOOPIVDMA-SOFGYWHQSA-N	319.229	3.948	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cnc1Cl	490725898	LMVMXTNZAWYBRJ-KPKJPENVSA-N	315.735	3.728	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)CNc1ccc(C)cc1C	729636671	NFLFIQVEFOFIKW-UHFFFAOYSA-N	321.490	3.739	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CC(c2ccc(C)cc2)C1	729816904	VGAMRZFYVDQMTD-UHFFFAOYSA-N	322.408	3.596	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)C(C)(C)c2ccccc2)cc1	731150259	FLFLHBJRXDFRPT-UHFFFAOYSA-N	310.397	3.513	50	20	DHGD	
C=CC[C@@H](NC(=O)NNc1ccccc1Cl)c1ccncc1	734678281	FKIOSPZUNVBIPE-CQSZACIVSA-N	316.792	3.679	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)c2cccc(Cl)c2)cc1	746886095	GJHBKLADHAYSJJ-LLVKDONJSA-N	304.777	3.595	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])c(O)c1)c1ccc2ccccc2n1	748148566	TZILTHIBNUZJAZ-NTEUORMPSA-N	317.304	3.913	50	20	DHGD	
O=C(CCc1ccc(F)cc1)NNc1cccc2c1CCCC2	748588108	HMYQZDSFXMJDMZ-UHFFFAOYSA-N	312.388	3.780	50	20	DHGD	
CC[C@H](C(=O)NN=C[C@@H]1CCOc2ccccc21)c1ccccc1	752166866	ZOZBYJGHTFRYGN-IRXDYDNUSA-N	322.408	3.849	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(F)c(C#N)c1Cl	761392506	NBVVPPZDQCVYRS-XFFZJAGNSA-N	306.724	3.601	50	20	DHGD	
CCOc1ccccc1Nc1nnc(SC/C=C\C#N)s1	763299459	VSWBPXZUBLSXOG-WAYWQWQTSA-N	318.427	3.852	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1cnc2ccccc2n1	765990578	CQRARRFIPMXHSE-UHFFFAOYSA-N	312.417	3.824	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccccc1Cl	768312398	ZIZLWRQYBWKKBM-DOMZBBRYSA-N	310.825	3.769	50	20	DHGD	
CCc1noc(C)c1C(C)=NNC(=O)c1cccc2ccccc12	769820635	KTFYMZWAQUSEET-UHFFFAOYSA-N	321.380	3.853	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2c(C)cccc2F)cc1	771303124	XSPGNNZNOOCIFR-ZDUSSCGKSA-N	301.365	3.830	50	20	DHGD	
CC(C)(C)c1ccc(SCC(=O)NCCCSC#N)cc1	774299360	XHKMMAYDYXJHSC-UHFFFAOYSA-N	322.499	3.797	50	20	DHGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	775884554	LIPNBLWBEDXGRF-GXTWGEPZSA-N	300.324	3.831	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccc(F)cc2)c1)C(=O)C1CCCC1	781554779	VXPNGUVMLGJKBN-DHDCSXOGSA-N	309.344	3.678	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@H]1CCCC[C@H]1C	783864474	UXVLIGUNRHAPHL-ZIAGYGMSSA-N	320.458	3.716	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCF)c1cc2ccccc2cc1O	794858237	APBCWPXPRZLJAD-LBPRGKRZSA-N	314.360	3.791	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@@H]1CCC[C@@H](O)C1	795279710	DGQXMNHDZMFKNW-MGPQQGTHSA-N	318.504	3.795	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1cc(Cl)cc(Cl)c1	796592199	FPFZKVZAIAUCGY-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@H]4C[C@@H]34)cc2C1	800808853	SGWCBLRLHGWQFV-GMXVVIOVSA-N	302.443	3.779	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C1(C)CCCCCC1	805385833	XIMMULNIOAFJQE-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCC(Cl)Cl	808129798	TVGAHFKXOQVONM-NSHDSACASA-N	317.260	3.985	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ocnc1C1CC1	808534539	PRGXPLWBZWBSGN-UHFFFAOYSA-N	324.292	3.833	50	20	DHGD	
C/C(C=NNC(=O)C(C)(C)C)=C/c1ccccc1OC(F)F	811638026	QKBGTLJYVRSBNM-KONRHVFCSA-N	310.344	3.839	50	20	DHGD	
CCc1cc(C(=O)NNc2c(C)cccc2C(C)C)c(C)nn1	812768793	GQBIJSWMVXADSZ-UHFFFAOYSA-N	312.417	3.536	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC(CO)(c2ccccc2)CC1	814647016	JOKHQOGAPAZEIG-JAIQZWGSSA-N	318.420	3.577	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1cc2ccccc2cc1O	814694222	AHHDTUZBWKQJKV-HNNXBMFYSA-N	308.381	3.841	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=CCC1CCCCC1	814747511	XTXMCLIPUWGRJP-CYBMUJFWSA-N	306.381	3.665	50	20	DHGD	
COC(=O)CCC[C@H]1CCCC(=NNC(=O)CC2CCCC2)C1	814825187	ARHAYGQTXJDJNY-CQSZACIVSA-N	322.449	3.572	50	20	DHGD	
CCOc1c(Cl)cc(NC(=O)NN(C)C2CC2)cc1Cl	824289545	YTWMIHPKJLQHAP-UHFFFAOYSA-N	318.204	3.523	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc2cc(Cl)cnc2o1	834412690	OPFRAMNLUSKHPW-WQLSENKSSA-N	317.776	3.695	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1CC12CCSCC2	835072291	CTQBLMVTTRWGMO-LBPRGKRZSA-N	321.398	3.650	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1C[C@H]1c1cccnc1	836789950	XICGYSLTDAIPLB-DLBZAZTESA-N	309.413	3.760	50	20	DHGD	
Cc1csc([C@H](C)C(=O)NNc2ccc(C(C)C)cc2)n1	854884308	FNQJDWSCODBTAO-GFCCVEGCSA-N	303.431	3.822	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cc(Cl)nc(C2CC2)c1	855370616	BYNREKHCGYDWOF-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
COc1ccc(NNC(=O)CCCC2CC2)c(C(F)(F)F)c1	857264897	QQMQNXDIXZNCNE-UHFFFAOYSA-N	316.323	3.737	50	20	DHGD	
CC(C)(CC(=O)NC[C@]1(C)C[C@@H]1Br)c1ccccc1	857404453	YHQDGYMIZNTQAU-BBRMVZONSA-N	324.262	3.644	50	20	DHGD	
BrC[C@H](CN1CCC=C(c2cccnc2)C1)C1CC1	859302692	CONUASGVEFWUGX-MRXNPFEDSA-N	321.262	3.592	50	20	DHGD	
CCN(C[C@@H](CBr)C1CC1)[C@H]1CCOC(C)(C)C1	859307001	IBMIIZDWMYOMLV-KGLIPLIRSA-N	318.299	3.687	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cccc(F)c1Cl)c1cccnc1	862507082	UNXQQLVEIGWBEG-AWEZNQCLSA-N	321.783	3.757	50	20	DHGD	
Cc1ncc([C@@H](C)NC(=O)NNc2ccc(C(C)C)cc2)s1	876014614	LXOIPDKXQZDWGN-LLVKDONJSA-N	318.446	3.962	50	20	DHGD	
CCc1onc(C)c1/C=C(\C#N)C(=O)N[C@@H](CC)c1ccccc1	899368285	HMQUTDLRXHATLG-JMPLCFMRSA-N	323.396	3.720	50	20	DHGD	
COC(=O)c1ccc(-c2ccc(/C=C(/C#N)C(=O)C(C)C)o2)cc1	915990542	OIQOVQATFRFDMV-GDNBJRDFSA-N	323.348	3.865	50	20	DHGD	
O=C(NN=Cc1ccccc1OC1CCCC1)C1CCCC1	920372457	MICMFQNKQWSVAK-UHFFFAOYSA-N	300.402	3.648	50	20	DHGD	
C[C@]1(COC(=O)c2nccc3ccccc23)C[C@@H]1Br	1344048854	NPRUONCUTCNNBC-SWLSCSKDSA-N	320.186	3.565	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1C(=O)O	1777287433	KPOFPYVXADGSES-WUXMJOGZSA-N	314.366	3.531	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C)cc1	6951577	HQOIYEUZYAJHAT-VBKFSLOCSA-N	306.365	3.939	50	20	DHGD	
CCCC1CCC(=NNC(=O)CNc2ccc(C)cc2)CC1	15347553	LWRHKSLBNYSFAG-UHFFFAOYSA-N	301.434	3.869	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(OCCCC)cc1	28449847	XFJFIDGGFCJWCK-DTQAZKPQSA-N	300.402	3.689	50	20	DHGD	
COc1cc(F)ccc1NC(=O)NNc1ccccc1Cl	92228391	XTSJDMPCTSTRNF-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OCC#N)c(OC)c1	125490118	XEHMEZSPSYZALR-NWFCWYBLSA-N	312.369	3.510	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	134270890	QUGFCBJJLLVJOY-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2csc3c2CCCC3)c1	150830324	JZHINWLKRPMNRP-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
COCCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(C)cc1	154288196	JQPBRQJYVFYBDY-AQTBWJFISA-N	321.376	3.810	50	20	DHGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNc1ccccc1Cl	158322682	QCZMUBBPPHFJNA-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1cccc2c1OCCO2	179733590	JMZHFPYBABOZNY-SWLOODMJSA-N	317.344	3.804	50	20	DHGD	
ICCN1CCCCC[C@H]1c1ccco1	190902588	GVQHDQNSNKRYJE-NSHDSACASA-N	319.186	3.632	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1ccccc1F	254998714	LRLLLNUSGFFWCR-BJMVGYQFSA-N	320.245	3.789	50	20	DHGD	
C=C(C)COc1cc(C=NNC(=O)CC(C)(C)C)ccc1OC	728428643	FHLZRCZXSWCHDK-UHFFFAOYSA-N	318.417	3.536	50	20	DHGD	
CC(C)c1ccc(C(=O)NNC(=O)C(C)(C)c2ccccc2)cc1	731175146	UEKYEPGVJGDRHS-UHFFFAOYSA-N	324.424	3.549	50	20	DHGD	
Cc1ccccc1C(=NNC(=O)c1ccc(Cl)nc1)C1CC1	731925481	GLXBKYXDTLOAKA-UHFFFAOYSA-N	313.788	3.588	50	20	DHGD	
CCCCOc1ccc(C(C)=NNC(=O)C2CCC2)cc1OC	731932339	HTOUVDGCDNRYMK-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1nccc2ccccc12	740764582	YSTBQXJMLCWWJQ-SOUSCNASSA-N	319.408	3.837	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc2cc(F)ccc2o1)c1ccccc1	741764387	HQCJPXJSGHGKSO-UHFFFAOYSA-N	324.355	4.000	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1cnnc2ccccc12	747935635	YZYJWTOKBXFHLT-UHFFFAOYSA-N	300.406	3.679	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2cccc(C#N)c2)cc1	748044176	LMTLMVIQGUOFLZ-UHFFFAOYSA-N	307.397	3.587	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1cccc2c1CCCC2	748588153	HZSFWZMTBALCCK-ZDUSSCGKSA-N	306.475	3.930	50	20	DHGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1(C)C	748666425	MTSHHCHJKFXPOK-WFASDCNBSA-N	317.389	3.585	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C)c(F)cc2F)c(C)c1	748856558	MIFSLOLOKGBMIT-UHFFFAOYSA-N	304.340	3.955	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@H](C)c2cccc(Cl)c2)c1	759319689	UZZRJFOYYXJBAO-SNVBAGLBSA-N	322.767	3.735	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cccc([C@H]2CCOC2)c1	762273069	CVPDERGKHWEIEO-AWEZNQCLSA-N	316.788	3.601	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccc(OC(F)(F)F)cc1	762844069	KCFMXNBEMAAZQF-MDZDMXLPSA-N	302.296	3.775	50	20	DHGD	
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)Nc1ccccc1	765501806	WYKVCOJPGRHNRW-PKNBQFBNSA-N	317.270	3.646	50	20	DHGD	
COc1cc(C(=O)NN=C2CC3(CCC3)C2)ccc1OC(C)C	772837994	BFSOQEFLVWIARN-UHFFFAOYSA-N	316.401	3.532	50	20	DHGD	
Cc1c(C(=O)NNc2nccnc2C(C)C)oc2c(C)cccc12	772875385	OGFWNSYPOLNCMW-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CCCC1(C(=O)NNc2ccccc2OC(F)(F)F)CCC1	779208643	CDYZNLBJLAXAAA-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C[C@H]2CCSC2)cc1	782150095	KCODHOBWLDPPIE-CQSZACIVSA-N	320.458	3.580	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1)C(F)F	782234614	YKBVKABREBTIEN-JTQLQIEISA-N	320.261	3.710	50	20	DHGD	
Cc1ccc(CCCC=NNC(=O)c2cccc(C#N)c2)cc1C	783845384	GFCUNVHWKZDFHQ-UHFFFAOYSA-N	319.408	3.914	50	20	DHGD	
Cc1cc(C#N)ccc1COC(=O)/C(C#N)=C\c1ccccc1	785379721	YXSRDMAUDUBYCW-ZDLGFXPLSA-N	302.333	3.517	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCC2CCOCC2)cc1	789548560	JPUCPRMDIGPGRF-QGOAFFKASA-N	313.397	3.652	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1C1CCCCC1	790879094	BOJBMTOGPUANII-ZDUSSCGKSA-N	302.509	3.752	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2c(F)cccc2s1	791216626	ZUYWRYMZMHVOAM-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)CCc1ccccc1O	797402589	HWYWWCYPMDGOAA-UONOGXRCSA-N	302.418	3.643	50	20	DHGD	
CCC(=O)NN=C(C)c1ccc2ccccc2c1OC(F)F	814708262	HTMYYQDAPWIQDI-UHFFFAOYSA-N	306.312	3.691	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cc(Cl)cs2)cc1	814999031	IINICGNNPAKOSI-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1[N+](=O)[O-]	834747455	HSTMAYACROHRNY-ZROIWOOFSA-N	314.341	3.686	50	20	DHGD	
C[C@H]1C[C@@H](NC(=O)NNc2cccc(Cl)c2Cl)CS1	840414103	PFXZITMGJRGCRE-JGVFFNPUSA-N	320.245	3.514	50	20	DHGD	
Cc1cnc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cn1	844335133	ATPWAXCSQWPKTE-MRXNPFEDSA-N	321.541	3.771	50	20	DHGD	
C[C@@H](CC(=O)N(C)CC(Cl)Cl)c1c[nH]c2ccccc12	848084856	YONRCPSDVPXSKF-JTQLQIEISA-N	313.228	3.924	50	20	DHGD	
CC(C)C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccccn1	851921512	TZWRPMKBNHQSJP-KKUMJFAQSA-N	311.267	3.932	50	20	DHGD	
CCc1nc([C@@H](C)NC(=O)NNc2cc(F)ccc2C)cs1	853719167	UAYJNEHDTVTIEM-SNVBAGLBSA-N	322.409	3.540	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c(C)[nH]c(C(=O)OCC)c1C	863186251	UEZGASZUVNMYPU-ZECSTPGPSA-N	316.401	3.721	50	20	DHGD	
CC(C)C(=O)NN=Cc1sc(Oc2ccccc2)nc1Cl	915947978	LGGSOZSMQCIDOS-UHFFFAOYSA-N	323.805	3.695	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1ccc(Cl)cc1	916254486	YDIGKTWTUIBASU-NGFQHRJXSA-N	302.805	3.882	50	20	DHGD	
C[C@H]1C[C@@H]1CNC(=O)NN(Cc1ccccc1)c1ccccc1	916639869	RSKHBQDXBGFDDO-DOTOQJQBSA-N	309.413	3.563	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)c1ccc(Cl)cc1	921253625	NYDZKDMRCUTAOR-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
COc1cccc([C@@H](NC(=O)CCl)c2ccccc2Cl)c1	1336910398	TXYOKEPPIUVKTH-MRXNPFEDSA-N	324.207	3.793	50	20	DHGD	
CC(C)CC(CC(C)C)C(=O)NNc1ccccc1C(=O)O	1591143917	XAPUKUCBCAACGS-UHFFFAOYSA-N	306.406	3.536	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)co2)cc1	1776127000	DQOCXEKSCJNDQU-RIYZIHGNSA-N	309.321	3.720	50	20	DHGD	
C[C@@H]1CCc2c(sc3nc(CCCCCl)[nH]c(=O)c23)C1	48412260	WOWCFGNTVFVNPH-SECBINFHSA-N	310.850	3.671	50	20	DHGD	
Cc1ccsc1C(=O)NNc1ccc(Br)cc1	48425673	JNWHCJPLCGDQBC-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
COc1ccc(COCc2cccc(NC=C(C#N)C#N)c2)cc1	66306214	GARNHKNKXKMDJW-UHFFFAOYSA-N	319.364	3.755	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)cc1	101800077	VFLCSCOFUQGGNW-GDNBJRDFSA-N	323.396	3.998	50	20	DHGD	
CCc1ccccc1NC(=O)c1c(C)nn(CCCl)c1C	114113967	XRGJTYSCYDRTCV-UHFFFAOYSA-N	305.809	3.553	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCCOCc1ccccc1	118999789	KNHUUDPUCDUSAU-UHFFFAOYSA-N	316.376	3.574	50	20	DHGD	
C#CCCCCC(=O)NNc1c(Cl)cc(F)cc1Cl	120072511	XJWOBSQNJZZSKM-UHFFFAOYSA-N	303.164	3.769	50	20	DHGD	
CC[C@H](C)[C@@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	155709888	UKXYTUZKKNVGSG-KBXCAEBGSA-N	307.397	3.831	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1cccc(F)c1	161090995	ZVBYJNIICTZNKJ-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1Br	173956527	QMQFLVHHSITMBL-GHXNOFRVSA-N	308.175	3.616	50	20	DHGD	
O=C(CCCCCc1cccs1)NNc1ccnc(F)c1	182466074	VUMJZATUSDOZAZ-UHFFFAOYSA-N	307.394	3.528	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(C#N)cc1	211474676	SBUFFTYXVICXKY-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)c(C)n1C1CC1	255308180	IUUBKDFIUYBHJC-WJDWOHSUSA-N	311.429	3.796	50	20	DHGD	
CC(C)(C(=O)N1CC=C(C#N)CC1)c1cccc(C(F)(F)F)c1	270888587	CAJWPLDSWPILCV-UHFFFAOYSA-N	322.330	3.665	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc2c(c1)CCC(=O)N2C	280976173	LQRGDGOFQFPNAY-PTNGSMBKSA-N	310.397	3.508	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@H]1CCCC(F)(F)C1	282478002	MCZHWRSMRMPSRC-NSHDSACASA-N	305.328	3.503	50	20	DHGD	
CC[C@H](CC(F)(F)F)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490878405	ODGDEJUCEXNZST-LWMSPQMPSA-N	314.282	3.580	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	727777212	LJHOKYSERXTLOT-ZFWWWQNUSA-N	318.417	3.557	50	20	DHGD	
O=C(NN=Cc1ccnc2ccccc12)c1cccc(Cl)c1	731314566	JBCLZKUHGCHDBJ-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(OC)c(C)c1)c1ccccc1	731930562	CLAGIAQXAZQNRP-QGZVFWFLSA-N	310.397	3.648	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1ccc(O)c(Cl)c1	737432939	APFRVQCGMJPNLJ-LLVKDONJSA-N	306.793	3.732	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CCC[C@@H]2c2ccc(F)cc2)c1	741164737	YCUZJAKFSQKSHB-QGZVFWFLSA-N	321.355	3.751	50	20	DHGD	
CCC[C@H](CC)NC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	744305591	DNUWNFHSJPSTLF-HNNXBMFYSA-N	319.449	3.507	50	20	DHGD	
CCCCCCCCC(=O)NNc1oc(C(C)C)nc1C#N	746522413	OCVNRKKKXAAGSK-UHFFFAOYSA-N	306.410	3.863	50	20	DHGD	
CC[C@@H](SC)C(=O)NN(c1ccccc1)c1ccccc1	746767176	OGJUCOHQHREJBS-MRXNPFEDSA-N	300.427	3.998	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	747588672	PHUSMWGGZSNDQX-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
CC(C)C[C@@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	748113268	RKERGITUSLXYSF-GOSISDBHSA-N	307.397	3.831	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccn2C)C[C@@H](c2ccccc2)C1	749858461	IYMPNIQTHOUZTK-ZBFHGGJFSA-N	309.413	3.715	50	20	DHGD	
Cc1nc(O)c(C(=O)NNc2ccccc2)cc1-c1ccccc1	750232852	KBRZYTRAHXJZFH-UHFFFAOYSA-N	319.364	3.520	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1C	751512851	GWCFRVIMEWJWFO-KMHUVPDISA-N	301.386	3.925	50	20	DHGD	
CCc1ncc(C=NNC(=O)Cc2cccc3ccccc23)s1	752161511	UAOCEPIDKSNYFB-UHFFFAOYSA-N	323.421	3.552	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2nc(Cl)cs2)c1	759075214	JYORRSQSLUSNMM-UXBLZVDNSA-N	304.758	3.595	50	20	DHGD	
CCCC(=CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-])CCC	770789688	AEGUAJCUROCQLX-UHFFFAOYSA-N	321.377	3.573	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cccc(C(=O)OC)c1	780795341	ICUVFRLMOXKCPN-CQSZACIVSA-N	318.417	3.523	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(F)cccc2F)c(F)c1Cl	789996352	OEHYGHTVBWIXML-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
COc1cc(NNC(=O)c2cc3c(s2)CCC3)ccc1Cl	790176192	VNNCDUFJKZQGQK-UHFFFAOYSA-N	322.817	3.656	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	794794618	JRSMNLNYWNJVMA-SECBINFHSA-N	317.216	3.581	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(C(C)=O)cc1	799374289	VCCCFEMFZIFGLV-UHFFFAOYSA-N	311.385	3.909	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1cc2ccccc2o1	799481657	FSLBTVDJMJLSAE-UHFFFAOYSA-N	306.312	3.974	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(Cl)c2ncccc12	801176610	MKXXBDWHIJIIMU-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)Nc1ccccc1	801984704	JUGSRPBTRRVIRW-AWEZNQCLSA-N	305.422	3.836	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1nccnc1C1CCC1	805460650	ZPCPFQNBCUIEMY-ZDUSSCGKSA-N	304.438	3.794	50	20	DHGD	
C=C(CNC(=O)NNc1ccccc1Cl)c1ccccc1	807580348	RZLUPVJBCQIJCH-UHFFFAOYSA-N	301.777	3.680	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)CSc2ccccc2O)C1	814969086	JCKUUTSBQVNUDA-CYBMUJFWSA-N	320.458	3.803	50	20	DHGD	
CCCN(N=Cc1cc(F)cc(OC)c1)C(=O)OC(C)(C)C	834978374	ZNZUKIPMVFQUFG-UHFFFAOYSA-N	310.369	3.815	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2nccc3sccc23)CC1	839685024	ZSTLWITUYXUKDF-UHFFFAOYSA-N	301.415	3.876	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2cccc(C3CC3)c2)cc1	839778199	NVQPBHYYUSPSON-UHFFFAOYSA-N	310.397	3.649	50	20	DHGD	
Cc1cccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)c1C	856812010	VWQVNJJMXQGQSC-JSGCOSHPSA-N	311.223	3.598	50	20	DHGD	
C[C@@H](C(=O)OC[C@H](CBr)C1CC1)c1ccsc1	859563584	QYXQZOGGUSZZJP-SKDRFNHKSA-N	317.248	3.816	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(Cl)cc1[N+](=O)[O-]	917213764	VUNFDVFQVUNIEC-GARJFASQSA-N	323.780	3.518	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)CC(C)(C)C)O[C@H](C)C2	918714467	XLMZIHFDCGTSME-FKZYXTMDSA-N	313.397	3.931	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)C2CCOCC2)cc1Cl	1322454758	FBVXUYUCUVQJBU-UHFFFAOYSA-N	310.825	3.544	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1C(=O)O	1597791608	SCQADJOHYZYBKE-RIYZIHGNSA-N	323.348	3.947	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	6854413	FIIXMUBTHGBVRN-VBKFSLOCSA-N	306.365	3.912	50	20	DHGD	
N#CC(C#N)=Cc1csc(COc2ccc(Cl)cc2)n1	48837537	SVTMWSRDVNONKI-UHFFFAOYSA-N	301.758	3.806	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NOC(C)(C)C)c1C	126059711	RZOMCZCBIXXUNB-WJDWOHSUSA-N	317.433	3.658	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(Cl)c1)c1c(F)cccc1F	133362052	JCPNZYJMNYTWGO-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)c1cccc2ccccc12	137319232	SPJDHMZMZSQCEC-UHFFFAOYSA-N	319.364	3.615	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccco1	179367792	GKDQYUVEPCMDFC-UKTHLTGXSA-N	306.321	3.558	50	20	DHGD	
COc1c(C)ccc(NC(=O)NNc2ccc(F)cc2)c1C	179734674	RHANJRIBKCFRPP-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccn1C(C)C	181279481	VNSMPCRYMBYPMH-UHFFFAOYSA-N	308.385	3.683	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2noc3ccccc23)cc1	183185611	QIKBHIHQARDDPQ-UHFFFAOYSA-N	323.396	3.811	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2c(C)cccc2F)cc1C	184391123	KBXCQGUUVGIONE-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
C[C@H]1CSCCN(C(=O)CCCC[C@@H]2CCSS2)C1	191320570	QIUXYCMOASQCOO-CHWSQXEVSA-N	319.561	3.912	50	20	DHGD	
N#C/C(=C/c1cccc(NC(=O)C(F)(F)F)c1)c1ccccn1	213233730	PZFWKDICMZYCDK-WQLSENKSSA-N	317.270	3.647	50	20	DHGD	
COCCC[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	272092797	DRZKUSNWJQQFLX-LBPRGKRZSA-N	317.341	3.716	50	20	DHGD	
C=C(CBr)CN[C@@H](COC)c1ccc(Cl)cc1	279334085	PCSGIMGUHHCHCP-ZDUSSCGKSA-N	318.642	3.568	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1nc2ccccc2[nH]1	281764746	LSZNBLSJVQYYKU-UHFFFAOYSA-N	322.412	3.510	50	20	DHGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)C(=O)Nc1ccccc1	490976961	RYZCVMHDNZGXEY-WDZFZDKYSA-N	305.259	3.579	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1ccccc1C(F)(F)F	492536909	NHRULDLJEOWULE-SREVYHEPSA-N	321.302	3.565	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cn1	588577978	OWXFYXUNLSPQSP-BOPFTXTBSA-N	319.408	3.944	50	20	DHGD	
CC(C)(C)CCCC(=O)NNC(=O)c1ccc2ccccc2c1	728860352	PXTZSFJHVIGKMS-UHFFFAOYSA-N	312.413	3.817	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)CCc1ccccc1O	729937919	LPRBRJSCMJZHGZ-UHFFFAOYSA-N	304.434	3.889	50	20	DHGD	
CCC(=NNC(=O)NCc1ccco1)c1ccc(Cl)s1	733203655	UNFKGSTUKUZERL-UHFFFAOYSA-N	311.794	3.608	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2c(F)cccc2F)s1	735757265	LAWNGXQVBAUBHH-VIFPVBQESA-N	311.357	3.722	50	20	DHGD	
O=C(NNc1ccc(F)cn1)Nc1ccc(Cl)cc1Cl	743808320	UPJZTCGYVIEUDW-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
C/C(C=NNC(=O)CCOc1ccccc1)=C/c1ccccc1	747059737	WEQCQQPGHFFGDE-WMMIPBDLSA-N	308.381	3.661	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)CSc1nc(C)cc(C)n1	748245062	VFGJQUKJMADPRN-LLVKDONJSA-N	322.478	3.504	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C\Sc1ccccc1	748561421	QOSZJLJRWAHTNJ-KTKRTIGZSA-N	302.374	3.883	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cc3ccccc3o2)o1	749823809	RSPFZDZHSRDRFO-FZMZJTMJSA-N	308.337	3.913	50	20	DHGD	
CCc1ccc(CCOC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	754547264	SBTKGDGMJRVUNY-QGOAFFKASA-N	321.376	3.647	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC[C@H]1C(C)C	761272080	SIPHOCFJTPIFTK-ZDUSSCGKSA-N	320.458	3.716	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccccc1F)c1cccc(Cl)c1	763347162	ZHHRKIHPQJMOGQ-NSHDSACASA-N	304.752	3.998	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1c(F)cccc1Cl	770191831	YLYFVVFTDGKUIN-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc(C(F)F)c1	770346241	JYCMENSXQNJSQE-UHFFFAOYSA-N	321.331	3.686	50	20	DHGD	
COCCN(C[C@@H](C)CBr)[C@@H](C)c1ccccc1	770650768	WELWLCOMNREODG-KBPBESRZSA-N	314.267	3.727	50	20	DHGD	
CS[C@H](CNC(=O)NNc1c(C)cccc1F)C(C)(C)C	771342809	QOQGFOYGSIZQQW-GFCCVEGCSA-N	313.442	3.538	50	20	DHGD	
COc1cc(Cl)ccc1NC(=O)NNc1ccccc1F	776077875	LADZJAZKZFZTNL-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)c1ccc(CN(CC)CC)o1	779770880	IMOVVBNEPHUDKC-AWEZNQCLSA-N	319.449	3.807	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cc(C(F)(F)F)c1)C1CCCC1	780208666	BFKLJAYNWVRCRI-UHFFFAOYSA-N	318.726	3.999	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)CCCCCC(C)C	780737872	DTVNQTUNNHSRIM-UHFFFAOYSA-N	306.406	3.523	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@@H](C)[C@H]1C	781124143	XLYRESSFYQXZIH-GHMZBOCLSA-N	308.809	3.891	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)c1ccccc1	785450077	CGRKZPNZTBOBJF-UHFFFAOYSA-N	306.287	3.778	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)COc1ccccc1F)C1CC1	787150298	MEQOQMKHQKCAAN-UHFFFAOYSA-N	306.381	3.523	50	20	DHGD	
O=C(NN=C1CCC12CCCC2)c1cccc(Br)c1	788716641	FQNACCCVIKIARS-UHFFFAOYSA-N	321.218	3.889	50	20	DHGD	
COc1cc(NNC(=O)N[C@H]2CCC[C@H](C)C2)ccc1Cl	788876097	VZGJZGNMXYIWBG-QWRGUYRKSA-N	311.813	3.553	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1c1cccc(F)c1	790881335	ZMSMOAAKAUNFRB-ZDUSSCGKSA-N	314.451	3.683	50	20	DHGD	
Cc1cc(NNC(=O)C2(C3CCCCC3)CCCCC2)ncn1	792639645	UOONVEIQOYVGRG-UHFFFAOYSA-N	316.449	3.759	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1ccccc1	794926238	KEZYRPWHQTWYSN-SXGWCWSVSA-N	305.333	3.792	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1coc(C(C)C)n1	799463898	LUJVHTUOOYYEAX-UHFFFAOYSA-N	322.368	3.500	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1nc2ccc(OC)cc2cc1C	800530573	QVIRLVLHIPIMKI-GFCCVEGCSA-N	315.417	3.821	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)s1	800790963	CADFEYNFPLFTAR-GHXNOFRVSA-N	323.377	3.840	50	20	DHGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNc2ncccc2F)cc1	804212822	BWJVUYZFXOKBGK-ZDUSSCGKSA-N	315.392	3.666	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C1CCCCCCC1	805386700	WKWVQRSDLZBZRF-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccccc1C#N)c1ccccc1	814845766	VCBOWBWNXNGCKC-QGZVFWFLSA-N	305.381	3.592	50	20	DHGD	
Cc1cccnc1C=NNC(=O)Nc1ccc(Cl)cc1Cl	814995893	IMSAXVLPGNMSIR-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)Nc2cc(F)cc(F)c2)s1	815006075	IONRWBDVDLWVAS-UHFFFAOYSA-N	324.356	3.700	50	20	DHGD	
Cc1cc(CNCc2ccc(OCCCCl)cc2)cc(C)n1	817411590	SHRCJZIOEXYPJI-UHFFFAOYSA-N	318.848	3.996	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccn(C(C)C)c2C)cc1	817882656	WZGUXBSPNMUMJL-UHFFFAOYSA-N	301.390	3.533	50	20	DHGD	
C=CC[C@H](C(=O)NNc1ccc(OCC)cc1)c1ccccc1	817908783	OACABELPKFAEMQ-SFHVURJKSA-N	310.397	3.888	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccnc2cc(Cl)ccc12	824012312	VUZQSHNONHYPHU-UHFFFAOYSA-N	303.793	3.934	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	836933698	NDFUDQOVWJTOEI-DZGCQCFKSA-N	324.852	3.933	50	20	DHGD	
CCOc1nc(C)ccc1C(=O)NNc1ccc(C)cc1Cl	836935012	MPOZZEQHJNPXQJ-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C2CCC2)C2CC2)cc1	837243436	GZZJKSZUFWYRJS-GTVARFKMSA-N	324.424	3.687	50	20	DHGD	
C[C@H](CN(C)/C(=C/C#N)c1ccc(F)cc1)C(=O)OC(C)(C)C	839200624	XYVCFJVEXVTVJF-BVTUPMQUSA-N	318.392	3.600	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)n2)cc1	840714935	KJOLSBMWGRQOAK-YYTPVVGHSA-N	322.412	3.788	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2c(C3CC3)cnn2C)c1	849245763	MMALSSMAVQOZOR-CXUHLZMHSA-N	305.381	3.704	50	20	DHGD	
CN(C(N)=O)c1ccc(OCCO[Si](C)(C)C(C)(C)C)cc1	853663871	DBFTWPNIHVUVRK-UHFFFAOYSA-N	324.497	3.602	50	20	DHGD	
C/C(=C\C(C)(C)C)C(=O)NNC(=S)Nc1cccc(C)c1C	854186000	DJEHEZUXCXJEAM-ZRDIBKRKSA-N	319.474	3.613	50	20	DHGD	
CN(NC(=O)[C@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1	854983738	RNGMHYBWMIDWLX-QGZVFWFLSA-N	314.816	3.597	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1cccc(F)c1Cl	862509250	HCVFDDACEKDANZ-UHFFFAOYSA-N	316.804	3.644	50	20	DHGD	
Cc1c(Cl)ccc2c(CC(=O)N3CC=C(C#N)CC3)coc12	897266149	BHSFYBVLVQISLJ-UHFFFAOYSA-N	314.772	3.619	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccc(O)cc3)o2)cc1	912777474	DSEJIHMRWNRQHZ-UHFFFAOYSA-N	320.348	3.725	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)[C@@H](C)CC)cc1OCC	915973954	GQTIRLZPUADRQK-AWEZNQCLSA-N	320.433	3.760	50	20	DHGD	
COc1cc(C(=O)NN=C2CCC[C@H](C)C2)ccc1OC(C)C	916351887	MXDXYKAVNNPUEM-ZDUSSCGKSA-N	318.417	3.778	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2nc3ccccc3o2)c1	917158579	JOAOJYZIPXTKFG-UHFFFAOYSA-N	309.369	3.521	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNC(=O)c1ccc2ccccc2c1	920436871	CTDPPWGKMGRVEU-GDBMZVCRSA-N	324.424	3.817	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1cccc(Cl)c1	921025212	SMHUWDGRDQFYOI-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
Cc1ccc(C#N)cc1C(=O)NNc1ccc(C(C)(C)C)cc1	935303231	QALYELFNFABHIH-UHFFFAOYSA-N	307.397	3.921	50	20	DHGD	
CCOc1ccc([C@@H]2C[C@H]2NC(=O)C2CCC(Cl)CC2)cc1	1123871797	PKFTZTYNLVJROH-YQEWQEHLSA-N	321.848	3.855	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)c1cc(C)cc(C)c1	1251188695	LLBANYDRCLLLJY-SXGWCWSVSA-N	307.349	3.808	50	20	DHGD	
CC(C)(C)[C@H](Br)c1nnc([C@H]2CCCCO2)o1	1331912527	PBYLHNZGXREJTK-RKDXNWHRSA-N	303.200	3.793	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1nc2ccccc2[nH]1	1337000619	CFXXOIHYDMQSOD-GFCCVEGCSA-N	300.406	3.613	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C)c(Cl)c2)c(F)cc1F	1339927663	FEARWPJGXHLDDM-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
O=C(N[C@@H](c1ccccc1)[C@@H]1CCCO1)C1CCC(Cl)CC1	1346389065	FWBVNVSYMQRSQB-GQGLESIBSA-N	321.848	3.821	50	20	DHGD	
O=C(N[C@@H](CC1CCCCC1)C(=O)O)c1cccc(CCl)c1	1601414352	GQDUDIBMALOTHG-HNNXBMFYSA-N	323.820	3.579	50	20	DHGD	
Cc1ccccc1OS(=O)(=O)c1ccc(CCCCl)cc1	60348934	ZEOKJPNCXXOOJV-UHFFFAOYSA-N	324.829	3.934	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc(F)ccc1F	60775943	UUZDQKWMUPKSAD-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CCO[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1	140305564	MLGONZICQOTKSQ-MRXNPFEDSA-N	315.325	3.586	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152647919	IDCDUHOFDHKYSB-UHFFFAOYSA-N	311.410	3.816	50	20	DHGD	
COCc1ccc([C@H]2CCCN2C[C@@H](C)CBr)o1	152835320	BRYFWMYVPKSPRB-WCQYABFASA-N	316.239	3.594	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1C[C@@H]1c1cccc(Cl)c1	154587376	WSEARYHMJPIKST-HUUCEWRRSA-N	304.752	3.726	50	20	DHGD	
Cc1c(Br)cccc1C(=O)NNc1cccc(F)c1	155008531	JCVDCCBADVXBHR-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(C#N)o1	174053847	WMVKKIFDVFUJOO-YRNVUSSQSA-N	311.728	3.659	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1	174170994	HYXZITUERKKEMZ-PTNGSMBKSA-N	323.352	3.519	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CSCC(F)(F)F)cc1	181153789	GGIWDXXCIGMSGX-UHFFFAOYSA-N	320.380	3.723	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	255479643	PNEYFKRBRFJARK-GDNBJRDFSA-N	313.378	3.563	50	20	DHGD	
N#CC1=CCN(C(=O)Cc2csc3ccc(Cl)cc23)CC1	272642026	DRCMLCMVFTTWEU-UHFFFAOYSA-N	316.813	3.779	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC2(CCC2)[C@H]1C1CC1	366357637	IOWJXOPHPITNMJ-NWDGAFQWSA-N	314.267	3.587	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(SC(C)(C)C)cc1	726764942	PXICNQSEUWWEAT-VAWYXSNFSA-N	304.415	3.960	50	20	DHGD	
CCC(=NNC(=O)c1cccc(C#N)c1)c1ccc(CC)cc1	728781016	DBXQNGVRHISBIS-UHFFFAOYSA-N	305.381	3.665	50	20	DHGD	
CCCNC(=O)NN=C(C)c1csc(-c2csc(C)n2)c1	729141864	IVCMJPWDGUYMNR-UHFFFAOYSA-N	322.459	3.613	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(OC)cc1)c1ccccc1	731931043	ARHFYIVEEIEBFJ-SFHVURJKSA-N	310.397	3.729	50	20	DHGD	
Cc1cccc([C@@H](C)NC(=O)NNc2ccc(F)cc2)c1C	734692221	LYDYGNMFUUHLHA-CYBMUJFWSA-N	301.365	3.830	50	20	DHGD	
C=CCCOC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	740189876	NGIHBQCXVXWAJQ-YVLHZVERSA-N	300.402	3.787	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2ccccc2cc1O	749281782	WKMFNHCBKFPJGG-UHFFFAOYSA-N	310.328	3.750	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2ccc3ccccc3n2)o1	749454126	WLAIIPYDEXRCDW-JLHYYAGUSA-N	304.305	3.679	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)CCC(C)(C)C	754212328	MBOYFDYTBLKQQH-LLVKDONJSA-N	309.362	3.971	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)cs1)C(=O)c1c[nH]c2ccccc12	765827773	YHDWNEJXIBFNFR-BJMVGYQFSA-N	322.345	3.717	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1cccc(C(F)(F)F)c1	769604473	BMBZTZIGTMXZJW-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2cc(F)c(F)cc2F)c(C)c1	773493953	CVTLVWAZQJZZQI-UHFFFAOYSA-N	322.330	3.715	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1cccc(C#N)c1	777171573	CGGYLAIFCNRWHP-UHFFFAOYSA-N	309.394	3.593	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1c(Cl)ccc2cccnc12	781114265	PEXFHQXDLNBKKR-UHFFFAOYSA-N	305.765	3.747	50	20	DHGD	
CC[C@H](C#N)OC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	781129996	USMGXIOHYIRZFP-QOTSWMAJSA-N	313.401	3.513	50	20	DHGD	
CN(NC(=O)N[C@H]1CC[C@H](Cc2ccccc2)C1)c1ccccc1	782654673	QETJRFRIZJEFQU-MSOLQXFVSA-N	323.440	3.748	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](C(F)(F)F)C2)c(O)c1	783514219	MRIBFLNMLQNLCJ-SNVBAGLBSA-N	314.307	3.539	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCC34CCCC4)n[nH]2)cc1	788711731	IIEZFZGGTFULLJ-UHFFFAOYSA-N	322.412	3.825	50	20	DHGD	
Cc1cccc(C(=O)NN=CCCc2c(F)cccc2Cl)n1	794565447	AIGNYWIUXVMGDD-UHFFFAOYSA-N	319.767	3.531	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ocnc1C1CC1	809722255	QRNCWNUYSHBGTG-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NN(C)c1ccccc1	809984634	RPVPAINLRORJNC-ACCUITESSA-N	300.789	3.911	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2ccc(Cl)cc2[nH]1	817011671	FETQOBQJVVEKNK-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(OC(F)(F)F)cc1)C1CCC1	826923107	BSQUVGDEUGWKKH-UHFFFAOYSA-N	316.323	3.855	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccc(C3CC3)cc2)C[C@H]1Br	856852775	BWSSUBZEZWZBSL-UKRRQHHQSA-N	323.234	3.859	50	20	DHGD	
CCCc1ccc(CCCC(=O)NN[C@@H](C)C(F)(F)F)cc1	862323607	URPFPLBOWSAQRY-LBPRGKRZSA-N	316.367	3.533	50	20	DHGD	
O=C(CCCOc1ccc(F)cc1)NNc1cccc(Cl)c1	874434453	OOSVVXVGZJYPJK-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)NCC3CC3)s2)cc1	920828397	IDAWSWPCWUSTIP-UHFFFAOYSA-N	313.426	3.767	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CCCCCC(=O)C2)ccc1Cl	928340041	PQHOSTLGWUMUJC-LBPRGKRZSA-N	308.809	3.631	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC2(CCC2)[C@@H]1c1cccnc1	1263858070	VEOLTEBAORACCG-BCLQGDPASA-N	318.848	3.933	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cnnc2ccccc12	1318604467	MTPOYCSDUWCWIY-ZDUSSCGKSA-N	312.417	3.679	50	20	DHGD	
C[C@H](NCc1cccc(S(F)(F)(F)(F)F)c1)C(=O)O	1334828995	TWHPNYLFWJTUJA-ZETCQYMHSA-N	305.268	3.907	50	20	DHGD	
C[C@H](CC(=O)c1cccs1)NC(=O)C1CCC(Cl)CC1	1528055319	WDPWAMZUOOGVII-VOMCLLRMSA-N	313.850	3.623	50	20	DHGD	
Cc1cccc(NC(=O)c2ccccc2NC=C(C#N)C#N)c1	15241214	OROVPCVHOPQZFS-UHFFFAOYSA-N	302.337	3.590	50	20	DHGD	
C[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CC(C)(C)O1	68538264	STDFXMMYUPDFIR-CHWSQXEVSA-N	317.520	3.726	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1	121240252	PTZLEFLKTDKOAP-DTQAZKPQSA-N	313.360	3.649	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(N3CCCC3)nc2)cc1	154285126	BEKDPKDWMSVZFL-LDADJPATSA-N	317.392	3.780	50	20	DHGD	
CC(C)OCc1ccc(NC(=O)NNc2ccccc2F)cc1	179795251	MVMRSORLXFJGEU-UHFFFAOYSA-N	317.364	3.899	50	20	DHGD	
CSCCCCC(=O)NNc1ccnc2cc(Cl)ccc12	265884164	QFELRICAKGDTLI-UHFFFAOYSA-N	323.849	3.865	50	20	DHGD	
C=C(CBr)CN[C@H](COC)c1ccc(Cl)cc1	279334082	PCSGIMGUHHCHCP-CYBMUJFWSA-N	318.642	3.568	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c(Cl)c1	490913701	ZXBOBYWUKNUHTE-UKTHLTGXSA-N	312.756	3.900	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc2ccccc2n1)c1ccccc1	588391917	KBHBDAXQZXNJGP-YPKPFQOOSA-N	303.365	3.781	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1c1ncccn1	616608290	OYPMPGZYEAJGBP-CQSZACIVSA-N	307.514	3.635	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)c1ccccc1C	727672260	CQNVCXBZGQDNHK-AWEZNQCLSA-N	304.434	3.753	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	727976389	RSALHESMIXVJJV-IAEYJFPLSA-N	322.330	3.706	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc(OC(F)F)c2)cc1C	728434040	DMJARYPHCWQMGW-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	728694916	NELNGUPMWZYRJQ-RQNDZEIBSA-N	302.333	3.767	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2nccc3sccc23)c1	734248075	KDWNNXHXKSIKIE-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	743299319	LMIDBDJWHAVNJH-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
CC[C@H](C)[C@H](C(=O)NNc1ccc(OC)cc1)c1ccccc1	746886019	FCJHIUQAQGLCLR-KSSFIOAISA-N	312.413	3.968	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C1(c2ccccc2F)CC1	748767503	RXHKMCAJDAPVKP-UHFFFAOYSA-N	321.355	3.549	50	20	DHGD	
CCc1ccccc1NC(=O)CN(C)/C(=C\C#N)c1ccccc1	750792067	YPASUKJGWJHGCL-UYRXBGFRSA-N	319.408	3.684	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccccc1Br	752176514	WSVCLQQJGARWLL-UHFFFAOYSA-N	321.174	3.505	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@H]1CCCC(C)(C)C1	752727845	UCGBHNAVGNXNBJ-AWEZNQCLSA-N	302.418	3.556	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)CC1CCC1	753179159	YZSDAQPPGXQQCU-UHFFFAOYSA-N	311.223	3.645	50	20	DHGD	
Cc1ccc([C@@H](C)N(C)CCI)c(C)c1	759340933	DXVCVQNWELIAJG-GFCCVEGCSA-N	317.214	3.731	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](F)c1ccccc1	769618900	DBXHSFLPNWJDBV-INIZCTEOSA-N	309.344	3.697	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)Cc1cccc(F)c1	770358490	MIISSVBGIFEKDY-MNOVXSKESA-N	317.198	3.579	50	20	DHGD	
COc1cc(C(=O)OC[C@@H](C)CBr)ccc1Cl	770411748	OFIPSBWQPPSWAN-QMMMGPOBSA-N	321.598	3.536	50	20	DHGD	
CC(C)[C@@]1(C)C[C@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	775884160	JOHMLKLPSOVPHZ-GXTWGEPZSA-N	316.323	3.711	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCCc2ccccc21	777464877	KRUJNAHUSKTVET-QGZVFWFLSA-N	317.392	3.798	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C\c1ccccc1F	777482112	ZEQNKSFYCDUXER-KHPPLWFESA-N	321.355	3.839	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(Br)cc1F	785611704	AEFNIXCTTZCIOD-CYBMUJFWSA-N	315.186	3.634	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)Nc1nccs1	788731816	KPXWLJIZTFQTML-DHZHZOJOSA-N	317.801	3.905	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	793806029	VJAVRSYGGKKIHO-FZMZJTMJSA-N	305.809	3.871	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc(O)c(O)c1	794558606	FIVPNZXQHAYARW-UHFFFAOYSA-N	304.390	3.564	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2NC2CCCCC2)CC1	795219471	IFPWJTVIKXGPPN-UHFFFAOYSA-N	309.413	3.727	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1ccc(F)c(F)c1F	801176318	UWXIIZJPEBQOBT-UHFFFAOYSA-N	320.723	3.505	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)N(C)CC(Cl)Cl	808248985	VGSQWGNFXMTENA-SNVBAGLBSA-N	324.635	3.760	50	20	DHGD	
CC1(C)CCC[C@H](C=NNC(=O)CSc2ccccc2O)C1	814971512	HPDGDWYEHGCQEL-ZDUSSCGKSA-N	320.458	3.803	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1ccc(N2CCCCCC2)cc1	814989690	RSZAICKNRLWCDM-UHFFFAOYSA-N	313.445	3.707	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(Cl)ccc2F)cc1	817882699	YNEMBFZJMRTBPX-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)c2c(F)cccc2F)cc1	817899069	HJTVNPRAELWKNT-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
CC(C)CCc1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	822844774	UZPSAGIGQUGGEA-YVLHZVERSA-N	322.412	3.554	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C)nc2C2CC2)c(Cl)c1	836934828	IEMLGYSCKTVSQX-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(CC#N)c1	837071997	ANMBKNXJZPRAFF-LBPRGKRZSA-N	309.207	3.501	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(C(C)C)cc1)C1CCOCC1	838501168	DBAGBICAWFXMEW-KRWDZBQOSA-N	319.449	3.641	50	20	DHGD	
CC(C)CCCCC(=O)NNc1cccc(C(F)(F)F)n1	839688049	KLJXZHSYZZNSKG-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)[C@H]1C[C@H]2C=C[C@H]1CC2	842519557	ORWRJSQAZUBSLO-OFQRWUPVSA-N	307.397	3.876	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2nccnc2C2CCC2)c1	848070940	VQYLCYPGIXRUDR-UHFFFAOYSA-N	324.428	3.799	50	20	DHGD	
COCC1(NC(=O)CCCC[C@H]2CCSS2)CCCC1	855216468	CGIJGCOQAOIYGZ-ZDUSSCGKSA-N	317.520	3.776	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2cccc(F)c2Cl)cc1C	862506572	CHWLRIWZQWBHJL-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCCC#N)c(C)n1C1CCCCC1	899893265	XKONKVNYCRNHJG-SFQUDFHCSA-N	324.428	3.547	50	20	DHGD	
CC(C)c1ccc(CCNC(=O)NNc2ccc(F)cc2)cc1	915899251	CGFYXTUALAVGSR-UHFFFAOYSA-N	315.392	3.818	50	20	DHGD	
CCC(=NNC(=O)CC(C)C)c1cc(Cl)cc(Cl)c1O	916342764	PBSRVQGNPXZELX-UHFFFAOYSA-N	317.216	3.975	50	20	DHGD	
CCc1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)cc1	916350856	MJJFBRDHIVESIJ-UHFFFAOYSA-N	300.789	3.595	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CC12CCSCC2	928337955	YTXQDWWDAVPLQE-LBPRGKRZSA-N	310.850	3.625	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(Cl)c(C)c2)c1C	928342417	WWNSVRQNUHOAIO-UHFFFAOYSA-N	305.809	3.844	50	20	DHGD	
C=C(CBr)CN[C@@H]1CC2(CCC2)Oc2ccccc21	932215209	VGUMLNNGHYJQJU-CQSZACIVSA-N	322.246	3.974	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cnc2[nH]ncc2c1	1179698045	ACQKZCJYKGFWFE-GFCCVEGCSA-N	322.459	3.611	50	20	DHGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)NC(=O)CCl	1253963026	IYKUICQXTRBZNS-QMMMGPOBSA-N	312.797	3.674	50	20	DHGD	
CCCC1CCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	1776044775	IYYBUPYXFXWWEF-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
CC[C@H](C)C[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	88304238	ZWYRNHJPFTUGCG-STQMWFEESA-N	317.882	3.571	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1ccc(F)cc1F	115712519	MEPAKLGEASXUAX-LBPRGKRZSA-N	302.324	3.528	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2c(F)cccc2F)cc1C	120370562	QYADNRCHONLIMS-UHFFFAOYSA-N	319.311	3.624	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc2cc[nH]c12	120429336	JIAWDGPBBABSPB-UHFFFAOYSA-N	305.381	3.804	50	20	DHGD	
C[C@@]1(c2ccccc2)CN(/C(=C/C#N)c2ccccc2)CCO1	121281497	CQMGXFZRHIDPRJ-RQRMZWKBSA-N	304.393	3.799	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])c(O)c2)c1	129542707	GZLRGOQXUXMQNP-NVNXTCNLSA-N	322.320	3.707	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1C#N	132654730	BCRDDUWMMZPERQ-ZSOIEALJSA-N	308.362	3.727	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(F)cc1F	181278485	LJIAYZVAVYKPNR-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1ccc(C(=O)NN=C/C(C)=C\c2ccccc2)cc1OC	252589649	ALVVCWPXXOKABF-VRFBYJGASA-N	324.380	3.523	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1ccc2ccccc2c1	254525072	SUOZINILCYZYNC-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@@H]1CCCOC1	281245514	VLFOMKRHKKITEB-UEUZTHOGSA-N	310.180	3.896	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1ccc2c(O)nccc2c1	285737303	PHDVYKYYYKFJQU-GFCCVEGCSA-N	315.417	3.846	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	301142931	HFTLLVCOWCHRIJ-LDADJPATSA-N	315.461	3.974	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1csc(C2CC2)n1)C1CCCCC1	490662355	AYAQPJXQWGKXIE-UKTHLTGXSA-N	315.442	3.719	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cccc(-c2ccccc2C)c1	729641598	PCPYMFKALPPYAX-AQTBWJFISA-N	302.377	3.871	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccc1Cl)C(=O)c1ccccc1	748301864	KGEYKIIXSKIQGT-LBPRGKRZSA-N	316.788	3.692	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C(C)(C)CC	753167986	BBEYUTPOUMZLQR-UHFFFAOYSA-N	313.239	3.891	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cccn1Cc1cccs1	755685085	OLZHKCYXWQLROE-UHFFFAOYSA-N	315.442	3.628	50	20	DHGD	
CC(C)C=NNC(=O)Nc1ccc(Br)cc1Cl	755746350	VEVNKCWGVPHMOX-UHFFFAOYSA-N	318.602	3.866	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756018298	UUUBVSGCUZTJAP-MGPQQGTHSA-N	317.389	3.644	50	20	DHGD	
Cc1cccc([C@H]2CCCN2CCI)c1	759341379	IEDLIHCPWILXIE-CYBMUJFWSA-N	315.198	3.567	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)c1ccc(Cl)nc1	764904842	OAVKVEFYJCOOQY-UHFFFAOYSA-N	307.806	3.535	50	20	DHGD	
Cc1cccc(F)c1CNC(=O)[C@H](Br)C(C)(C)C	768203347	YLSBENSBPOGCRV-LBPRGKRZSA-N	316.214	3.560	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768339419	XOJVXGRLNKEYRG-LBPRGKRZSA-N	323.393	3.653	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	779396217	CUCDPAHGXRIKBU-OAHLLOKOSA-N	320.396	3.756	50	20	DHGD	
N#CC1=CCN(C(=O)c2cccc(OCc3cccs3)c2)CC1	780685466	ATPCDVHBAVDUPL-UHFFFAOYSA-N	324.405	3.623	50	20	DHGD	
CC(C)(C(=O)NNc1cc(Cl)cc(Cl)c1)c1cccnc1	791721955	DVXNBXSXURBMFC-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCSCc1ccccc1	792267467	LIVWSYHQIGQLNK-UHFFFAOYSA-N	318.417	3.901	50	20	DHGD	
Cc1cc2cc(/C=C(/C#N)C(=O)[C@@H]3CCCOC3)oc2cc1C	794884449	PJTVZOBQSAPHTD-SLVCOGOPSA-N	309.365	3.952	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C#N)ccc1Cl	803360759	FVYNHEHMBSOPKD-UHFFFAOYSA-N	313.788	3.839	50	20	DHGD	
CC(C)SCCNC(=O)CCCC[C@H]1CCSS1	805225831	UOKAWGGWUWPFCI-LBPRGKRZSA-N	307.550	3.958	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)C(C)(C)c1ccccc1	806720885	GVDCSOJQELFMRR-LBPRGKRZSA-N	312.504	3.663	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(-c2ccccc2F)o1	808128895	IDDYAYSLBSWXRY-UHFFFAOYSA-N	302.132	3.619	50	20	DHGD	
COC1(C)CCN(Cc2ccc(OCCCCl)cc2)CC1	811487957	COSVNPFGPFRCOO-UHFFFAOYSA-N	311.853	3.695	50	20	DHGD	
CO[C@@](C)(CNC(=O)NNc1c(C)cccc1C(C)C)C1CC1	813202784	NHBYTAAFEJIGQE-SFHVURJKSA-N	319.449	3.560	50	20	DHGD	
Cc1cc(CN)cc(NC(=O)NNc2ccc(C(C)C)cc2)c1	818635864	UBPQXXDORIKHKR-UHFFFAOYSA-N	312.417	3.726	50	20	DHGD	
CCS[C@H](C(=O)NNc1cc(Cl)nc(Cl)c1)C(C)C	819744025	ZXXNQAOVAZZYGW-NSHDSACASA-N	322.261	3.609	50	20	DHGD	
Cc1cccc2sc(NNC(=O)c3ccoc3C3CC3)nc12	828358720	PAMVUNSRPKKVAR-UHFFFAOYSA-N	313.382	3.832	50	20	DHGD	
COC[C@]1(C)CCN(C(=O)CCCC[C@H]2CCSS2)C1	833544522	WXRGYRJNEIKJQY-DZGCQCFKSA-N	317.520	3.586	50	20	DHGD	
CC[C@H](C)CC=NNC(=O)c1cc(F)ccc1Br	834956404	ODALTNKTMRLDKH-VIFPVBQESA-N	315.186	3.740	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)CSc1ccc(Cl)cc1	853268499	GFHYLMMMLJIATE-UHFFFAOYSA-N	323.849	3.864	50	20	DHGD	
C=CC[C@H]1CCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	855438751	OBCQFRLGDIIZPL-NWDGAFQWSA-N	302.256	3.611	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccnc(Cl)c1	855467858	HXFCHUGRLSGDGK-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
C[C@]1(CNC/C=C/c2ccc(F)c(F)c2)C[C@H]1Br	856810498	YKGWDVXHCBEGPX-GWSUEFFPSA-N	316.189	3.741	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1ccc(Cl)cc1Cl	860313881	SGHCNJSSGOHHNT-UHFFFAOYSA-N	300.189	3.766	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)CSc1nc(C)cc(C)n1	915937585	QXAYGSOQCZYYCE-NSHDSACASA-N	322.478	3.504	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(C)c(C)c2)cc1	915983868	WYOTYCILJBRHNM-WOJGMQOQSA-N	311.406	3.950	50	20	DHGD	
N#C/C(=C/c1csnn1)c1ncc(C(F)(F)F)cc1Cl	915986923	JCFLGNPLQFXZKU-BHQIHCQQSA-N	316.695	3.669	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)NC(=O)NNc1ccc(F)cc1	916643105	FPQHRSAVVIZHNN-NSHDSACASA-N	321.783	3.736	50	20	DHGD	
CC(C)(C)c1csc(NC(=O)NNc2ccc(F)cc2)n1	920928875	KOKSXMSHUHGUQC-UHFFFAOYSA-N	308.382	3.728	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1cncn1-c1ccccc1	1330008996	DIURRWVMWUCLKR-HNNXBMFYSA-N	322.412	3.724	50	20	DHGD	
CCCn1ncc(C(=O)NNc2c(C)cccc2C(C)C)c1C	1339013740	YMVZNLOZFWKRDV-UHFFFAOYSA-N	314.433	3.790	50	20	DHGD	
O=C(N[C@@H]1CCO[C@@H](c2ccccc2)C1)C1CCC(Cl)CC1	1351764865	XERRYYPHMPGSJS-BHUNQDJPSA-N	321.848	3.821	50	20	DHGD	
CC(C)(C)N(N=Cc1ccccc1C(=O)O)C(=O)c1ccccc1	1776103187	WSFQWCLZKYSXFE-UHFFFAOYSA-N	324.380	3.660	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1ccccc1Cl	6336103	NOIIKQBIZIWFBE-UHFFFAOYSA-N	302.805	3.882	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(Cl)cc1C(F)(F)F	7697542	SEMBUKFEIQQWJO-BQYQJAHWSA-N	318.682	3.741	50	20	DHGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccc(C)cc2)c1C1CC1	89689483	SHPUIKMNDLDRQQ-ZDUSSCGKSA-N	312.417	3.797	50	20	DHGD	
CCCCCC(=O)NNc1ccc(OCC(F)(F)F)cc1	124929632	VHTQEMONBMRFTB-UHFFFAOYSA-N	304.312	3.651	50	20	DHGD	
C[C@H](CBr)CN(CC1CCC1)CC(F)(F)F	133869651	CPRLYJBITQPLBA-SECBINFHSA-N	302.178	3.682	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1nc2ccccc2s1	145367280	IMNNZOXMFACOPS-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(F)cc(C(F)(F)F)c1	154972874	LVJZLSXQIANOHS-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@H](C)c2ccccc2C)c1	156226654	NFCAVBNFPHWOGH-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@H]1c1cccc(F)c1F	159741787	JDGYERQZLDQBPL-STQMWFEESA-N	322.742	3.865	50	20	DHGD	
CCSc1cccc(/C=C(\C#N)C(=O)Nc2ccncc2)c1	184761727	PRFWBJKUZZLBMF-GXDHUFHOSA-N	309.394	3.739	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OCCCOC)c1	263654203	HTNOKFXWDHEUJU-DSQDWWTGSA-N	301.386	3.624	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)Cn2ccc3ccccc32)o1	729638427	LHAVKEDLMGTNKC-CJNGLKHVSA-N	321.380	3.508	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cccc(C)c1C	734298653	BHKBVPPAJGYVLD-UHFFFAOYSA-N	316.788	3.816	50	20	DHGD	
CC(C)C(=NNC(=O)COCc1ccccc1)C1CCCCC1	737437598	YNVHXWAKGNHPRO-UHFFFAOYSA-N	316.445	3.912	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)c1c[nH]c2ccccc12	742037732	YQZOETBCTBJVOW-ZDUSSCGKSA-N	315.417	3.535	50	20	DHGD	
CCOC(=O)NN=Cc1cc(Cl)ccc1OC1CCCC1	743420476	GUYCSKMVIGGPFA-UHFFFAOYSA-N	310.781	3.741	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@H]2c2ccc(F)cc2)c(C)c1	743762762	KHLFQCLCJBFPBP-IRXDYDNUSA-N	312.388	3.998	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNc2ccc(Cl)nc2)c1	745811101	UCKNNCZJOXUQOT-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccc(Cl)c(F)c1	746700884	PSPJRWGHUBVDEM-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
COc1ccc(NNC(=O)CCCCc2ccc(C)cc2)cc1	746887230	SCJCIIAIWAVCIA-UHFFFAOYSA-N	312.413	3.860	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)C[C@@H](C)CC)cc1	748566405	COSVYNQRERWDAQ-YSKWHIJTSA-N	314.429	3.887	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C[C@H](C)CCc2ccccc2)cc1	749157444	ZWMPIYSDMDHSFX-QGZVFWFLSA-N	323.440	3.778	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)CC1CCCC1	749530767	MMXYFGPGTDROQY-MRXNPFEDSA-N	308.466	3.711	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CNc2ccccc2Cl)c(C)c1	750239537	NCNLEPDOVABEJH-UHFFFAOYSA-N	317.820	3.820	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCCN(Cc2ccccc2)CC1	750600455	XMUILPFZZBHOJU-MTJSOVHGSA-N	317.436	3.759	50	20	DHGD	
CC[C@@H](C)OCC(=O)NN(Cc1ccccc1)c1ccccc1	751562474	MFZPFBJWNNBXCA-MRXNPFEDSA-N	312.413	3.540	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)C(C)(C)c1ccccc1	753222792	SFJVZUGOCNPVKU-UHFFFAOYSA-N	318.461	3.718	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cc(Cl)ccc1O	769570907	YHLNDGOREHYUCM-QWRGUYRKSA-N	308.809	3.978	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2cc(SC)ncn2)c(Cl)c1	773148788	HFLZIVKRIJMIDH-WZUFQYTHSA-N	317.801	3.925	50	20	DHGD	
CCCc1csc(NC(=O)NNc2cccc(Cl)c2)n1	775718972	OESWNPMHMAGRCD-UHFFFAOYSA-N	310.810	3.898	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2nccc3sccc23)C1	780516292	MNBDUBZKVDBWKB-GDNZZTSVSA-N	303.431	3.812	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1ccccc1F	790216057	TZGXIOSGCPGOLG-WYMLVPIESA-N	317.323	3.801	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1Cc1ccccc1C	790881114	URLFWRUFSRSUQZ-OAHLLOKOSA-N	324.515	3.723	50	20	DHGD	
O=C(NN=C1CCC2(CC1)CC2)c1cc(-c2ccccc2)[nH]n1	792630818	FLRAWGPJEKSPGA-UHFFFAOYSA-N	308.385	3.517	50	20	DHGD	
CC(C)(CC(=O)NNC(=O)NC1CCCCC1)C1CCCCC1	792797707	OOGOZFXUJWPBAR-UHFFFAOYSA-N	323.481	3.646	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1C	794780074	QLRDSAKLCBAFML-UHFFFAOYSA-N	319.364	3.804	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cn(C(C)C)nc2C)c1C	798345006	OJGWDVZSJRRYFE-SXGWCWSVSA-N	322.412	3.935	50	20	DHGD	
CSc1ccccc1[C@@H](C)NC(=O)NNc1ccccc1	800735751	MELGWAPBWDLBQO-GFCCVEGCSA-N	301.415	3.796	50	20	DHGD	
O=C(CCC1CC1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802038173	FGSIRAIHGXDOSE-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
CC(C)CC1(C(=O)NNc2nccnc2C2CCC2)CCCC1	805474591	CFKOKVBABJTQAU-UHFFFAOYSA-N	316.449	3.794	50	20	DHGD	
Cc1ccc(CCNCc2ccc(OCCCCl)cc2)o1	811473660	HLFFMCBYKWTCBL-UHFFFAOYSA-N	307.821	3.928	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CCCCC12CCCC2	814840378	NJGRDWOSHAZNDX-UHFFFAOYSA-N	314.429	3.931	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)Nc1cc(F)cc(F)c1	815007077	MSHOSVHLTMSPDG-LRDDRELGSA-N	315.323	3.876	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cnn(C2CCCC2)c1-c1ccccc1	817341353	GVNGIGXQGHWDFQ-RVDMUPIBSA-N	321.380	3.745	50	20	DHGD	
CSSCCNC[C@H](O)c1ccc(Cl)cc1Cl	819297964	YTRQPQOLOSMCLD-NSHDSACASA-N	312.287	3.628	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	819411492	OOGZAZHKTFXZIV-UHFFFAOYSA-N	302.296	3.631	50	20	DHGD	
CSC(C)(C)C(=O)NNc1c(Cl)cc(F)cc1Cl	831534652	JYJOYUQAWQYVJP-UHFFFAOYSA-N	311.209	3.717	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849179715	VYECTICYESGCJT-MJSCBBHESA-N	313.397	3.767	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1cc(C#N)ccc1Br	855617053	RDWYRELDORIFSH-SNVBAGLBSA-N	324.222	3.590	50	20	DHGD	
CCCCn1cc(C(=O)NNc2cc(F)cc(Cl)c2)c(C)n1	855620548	YFLWHFNMTGXFIS-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2ccc(C)c(F)c2)cc1	856229246	CUGLNHLIWISSMT-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2nc3ccc(Cl)cc3s2)C1	856235008	OXFNAWUMGCCYMF-RKDXNWHRSA-N	309.822	3.829	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)C1CCC2(CC1)CC2	857132384	CVQZMKBTGPPLRN-UHFFFAOYSA-N	313.323	3.514	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)CC(C)(C)C)c(F)c1	901459447	PKIKZCPUHGTVEO-NTUHNPAUSA-N	303.333	3.525	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCC2CC2)c(C)n1CCC(C)C	905256418	JGXPNICGLYFQHK-ZDLGFXPLSA-N	313.445	3.584	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc3ncccc3c2)cc1	916329328	DMQAPFHEGADYPO-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)CC1CCCC1	1338130589	DHPCRIBMTRGWEC-LBPRGKRZSA-N	300.402	3.608	50	20	DHGD	
COc1cc(/C=C(/C#N)c2ccccn2)ccc1OC(F)F	35317809	LMOFVWCFVUBRJM-WQLSENKSSA-N	302.280	3.756	50	20	DHGD	
Cn1c(C(=O)NNc2ccccc2)ccc1-c1ccc(F)cc1	111551067	GEPASNSFWOWLBW-UHFFFAOYSA-N	309.344	3.588	50	20	DHGD	
Cc1cccc(NC(=O)NNC(=O)Nc2ccc(Cl)cc2)c1	115639069	VMERMEBWIVMJQF-UHFFFAOYSA-N	318.764	3.507	50	20	DHGD	
COCCCCC(=O)NN(Cc1ccccc1)c1ccccc1	120553476	SOXPLUBCUZJOON-UHFFFAOYSA-N	312.413	3.541	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1C[C@@H]1c1cccc(Cl)c1	128646770	WXSYDHIOZNZKED-VXGBXAGGSA-N	322.195	3.635	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccsc1	170838601	UCBCURAZQKNOPH-VGOFMYFVSA-N	323.352	3.863	50	20	DHGD	
CCCC[C@@H](CCC)NC(=O)c1c(C)nn(CCCl)c1C	177652125	SZJPQHHUUNUEHD-CQSZACIVSA-N	313.873	3.827	50	20	DHGD	
Cc1ncc(C(=O)NNc2ccc(Cl)cc2Cl)s1	178872860	WOMGGANFTAAKBT-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cc2ccccc2o1	182213347	GSQKLBBIZMKQLW-OQLLNIDSSA-N	320.323	3.795	50	20	DHGD	
Cc1oc(-c2ccccc2)c(C(=O)N2CC=C(C#N)CC2)c1C	276028016	VXSAHHJDNFYFGL-UHFFFAOYSA-N	306.365	3.859	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](c1ccc(Cl)cc1)C(C)C	491102344	HNOZZDIMFSDZQX-WVUXNXBLSA-N	306.793	3.597	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(C)(C)C)c1C	726925592	MHNGSZHQRGJXMK-BOPFTXTBSA-N	315.461	3.926	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1ccc(C(F)(F)F)cc1	728294028	VUICNDJADWINRZ-UHFFFAOYSA-N	322.286	3.565	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccccc1OC1CCCC1	728429991	VKVWGFZBJGVAOE-UHFFFAOYSA-N	302.418	3.894	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccsc1	728434642	KVKPOARHZOUDQW-UHFFFAOYSA-N	310.325	3.504	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc2ncccc2c1)c1ccccc1	731932430	KSYPXWJXPVACCX-SFHVURJKSA-N	317.392	3.879	50	20	DHGD	
CC#CCOC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	744565504	KHQUOXIDMIFRHG-PDGQHHTCSA-N	312.413	3.625	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@@H]2C[C@H]3CC[C@H]2C3)cc1	747568014	RGFXSHGXIWBKEF-QNCGWQGWSA-N	311.381	3.582	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1c1ccccc1)c1ccc(O)cc1	751382037	NBRLZMGHOWGSTI-KRWDZBQOSA-N	308.381	3.836	50	20	DHGD	
CC(C)CC1(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	752542643	FDHYRESNEVLEPN-DHDCSXOGSA-N	300.377	3.675	50	20	DHGD	
Cc1cc(NNC(=O)/C=C2/CC[C@@H](C)C2)ccc1Br	762807243	WTDKAHUPFGBCLF-WJEYQPDNSA-N	323.234	3.947	50	20	DHGD	
Cc1nc(C(=O)NNc2cc(Cl)ccc2Cl)sc1C	770584498	RJLPNDYNWHLKIY-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1c(C)cccc1F	771697292	KMFYKDLWZZHOEA-INIZCTEOSA-N	316.376	3.743	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1cccc(F)c1	772173019	YBLYSXXBXHLFML-SDQBBNPISA-N	314.247	3.663	50	20	DHGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1c(Cl)cccc1Cl	773368719	QWBJSDIBJYQJFV-SECBINFHSA-N	318.248	3.603	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2Cl)cc2n[nH]cc12	779617174	ASUNYPJWQFSDIA-UHFFFAOYSA-N	315.764	3.673	50	20	DHGD	
CC1(C(=O)NNC(=O)c2cccc3ccccc23)CCCCC1	780786050	FIQIZNLUMFDQFO-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1cccc(C(F)(F)F)c1	785611839	CMEXJGVWRQOPNJ-UHFFFAOYSA-N	322.330	3.954	50	20	DHGD	
C[C@@H](C1CCCCC1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	787587035	RDSNEIFCDJLKNS-IQGJIOQQSA-N	312.413	3.726	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1ccc2ccccc2c1	790875406	DNZBBWZQLQIHJJ-UHFFFAOYSA-N	320.483	3.992	50	20	DHGD	
CSSCCNC(=O)CCSc1ccccc1Cl	791097239	LINJBWPKFGNFRT-UHFFFAOYSA-N	321.920	3.950	50	20	DHGD	
CSSCCNC(=O)Cc1ccc(Cl)c(Cl)c1	791099552	GJNSEVAHGDMHFQ-UHFFFAOYSA-N	310.271	3.663	50	20	DHGD	
C=C(CBr)CN(Cc1ccccc1F)C(C)C	791452276	GEQLPCAMLGKUJV-UHFFFAOYSA-N	300.215	3.987	50	20	DHGD	
CC[C@@H](C)[C@H](OC)C(=O)NNc1c(Cl)cc(F)cc1Cl	793756311	LBJDKXGFKZGPIK-KRTXAFLBSA-N	323.195	3.637	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNC(=S)Nc1cccc(C)c1	798124371	QVFXWFIEGHPNCZ-ZFWWWQNUSA-N	319.474	3.529	50	20	DHGD	
C[C@@H]1CC[C@H](C=NNC(=O)CCSc2ccc(F)cc2)C1	800808480	UBKCUICPZJJFCD-OLZOCXBDSA-N	308.422	3.846	50	20	DHGD	
Cc1nn(C)cc1C(=O)/C=C\c1ccc(OCCCCl)cc1	811686780	AGFWWUDDBUNUQR-TWGQIWQCSA-N	318.804	3.632	50	20	DHGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCC(Cl)Cl	816604828	YFMVKUUBWPATAJ-ZETCQYMHSA-N	312.649	3.741	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C)cc2Cl)cc1	817921157	LDOAKFIKEFGKQZ-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2CCC3(CC2)CC3)cc1Cl	832114820	MIMXBCFPRZPXQE-UHFFFAOYSA-N	303.793	3.625	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	833612172	RYTKQCCWQGHQFQ-WDEREUQCSA-N	324.808	3.698	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)o2)c2c(c1)C[C@H](C)O2	840723306	VSPFFSLMLYWEQT-CUTJPZLCSA-N	323.348	3.710	50	20	DHGD	
CC[C@H](C)c1ccc([C@@H](NC(=O)NN)c2cccs2)cc1	841667651	PTXCLDJIUBYTBH-XHDPSFHLSA-N	303.431	3.524	50	20	DHGD	
C[C@@H]1CCCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	844581391	NLOJIEJPVLHFLM-CQSZACIVSA-N	310.401	3.558	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)C1CCC(F)(F)CC1	852219904	ZCQFICZZHUWXCS-WCQGTBRESA-N	310.226	3.964	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)c1nc(C)cs1	854335536	FNVDAPLJEYYSSG-LBPRGKRZSA-N	303.431	3.569	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1coc2c(F)c(F)ccc12	908221868	CFUNNPJVRFZNAW-UHFFFAOYSA-N	322.138	3.516	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1ccco1	916369570	GRNAKMGZVAAILF-UHFFFAOYSA-N	302.399	3.764	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)ccc1Cl	928341116	OWVFAJOFWTUYRG-SNVBAGLBSA-N	320.824	3.625	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1Cc2ccc(O)cc2C2(CC2)C1	1347088864	IHRUERIDHXSUDQ-UHFFFAOYSA-N	319.832	3.564	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1	1358240195	ORTGXZCQQWUXNS-JKSUJKDBSA-N	319.832	3.599	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044625	GOIOXYOHETZGHF-UHFFFAOYSA-N	319.405	3.955	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccccn2)cc1Br	7155298	IXGFGNCXWBQKRM-XYOKQWHBSA-N	315.170	3.917	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccsc2)ccc1OC	44028075	PYBBKQVNRIYBJI-ZSOIEALJSA-N	313.378	3.945	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc2[nH]c3c(c2c1)CCCC3	45970206	XSJHKKVJNJHTCU-UHFFFAOYSA-N	323.371	3.943	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1C	59335156	IZTYEKRJOAGDHY-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(C)cc2C)cc1	96669459	LFSFFDAXZBFXOB-WQRHYEAKSA-N	311.406	3.950	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccc(F)c(F)c2F)cc1	103274463	REIRZTHTBAWLNC-SNVBAGLBSA-N	322.330	3.913	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNc1ncccc1Cl	114886378	KZZKFWFPRDQZNL-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(/C#N)C(N)=C(C#N)C#N)s2)cc1	126765567	RMCNTLGLMOSLRK-ZSOIEALJSA-N	316.389	3.890	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2ncc(Cl)cc2Cl)c1	132617491	LRMDPCFOZFFBJG-UHFFFAOYSA-N	324.211	3.691	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(Oc3ccccc3)o2)c1	152490231	QUMUQJZPNNEDSR-UHFFFAOYSA-N	319.320	3.700	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccc1F)c1ccc(F)cc1F	152735493	WJWIIQVQERXIDK-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)C1(c2ccccc2)CCC1	175416738	ANUAIUQLAJVGAY-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C(F)(F)c1ccccc1	175429158	UEGJBLHNVIOGHU-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)cc1	180254676	DYCAJIWBCXWZQB-UVTDQMKNSA-N	322.412	3.572	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc(OC)c1	211441451	OVNWWNFHLMEYGZ-NVNXTCNLSA-N	322.364	3.558	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCOc2ccccc2)cc1	212066334	ZWCSUMQTXHKQLM-LGMDPLHJSA-N	307.349	3.524	50	20	DHGD	
N#CCCCNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	273310356	VQAYJHAORAETID-UHFFFAOYSA-N	321.595	3.577	50	20	DHGD	
C=C(CBr)CN1CCC(n2c(C)ccc2C)CC1	279694650	IJIAGEALJLBBFH-UHFFFAOYSA-N	311.267	3.693	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CCCc2sccc21	362157780	BMAJDTRNMKJGKH-OAHLLOKOSA-N	323.421	3.860	50	20	DHGD	
Cc1ccc(C)c2c1CC/C(=C\c1cnn(CCCl)c1)C2=O	588489343	SXWAMZGATRWELS-OQLLNIDSSA-N	314.816	3.951	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1F	727827958	QJTRXUWSIKIENZ-GXDHUFHOSA-N	316.376	3.675	50	20	DHGD	
CCCCCOc1cc(C=NNC(=O)C2CCC2)ccc1OC	731933016	UDACJWHFAWHDJU-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNc2c(F)cccc2F)c1	735760202	RZABSXAHFSKJMT-LBPRGKRZSA-N	319.355	3.969	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2cc(C)ccc2OC)cc1	744742635	FZELDSUMNBEQPC-UHFFFAOYSA-N	310.397	3.720	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745352016	MKQBFVOZRWXPCC-HNNXBMFYSA-N	318.808	3.758	50	20	DHGD	
CC(C)[C@H]1CCCC1=NNC(=O)[C@@H](C)Oc1ccccc1F	747742598	WWEPPYGDNKBJEK-CHWSQXEVSA-N	306.381	3.521	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2(C)CC2)c1C	752389133	VQLZXQANTQOCQN-BOPFTXTBSA-N	313.445	3.728	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccc(Br)cc1	753329988	UMJUDRVQNSSBQA-UHFFFAOYSA-N	313.239	3.965	50	20	DHGD	
CCc1ccc(C(=O)NN=C/C=C\c2ccc(F)cc2F)cc1	758085363	TXBWGOCAEREYGX-SFKKUABISA-N	314.335	3.956	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc(Cl)c(F)c1	766173502	KWIVJTIYZFTQJW-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@H](C)[C@@H](C)C2)o1	767379606	KMNPTQYVRHDSFO-KBPBESRZSA-N	319.449	3.663	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](F)c1ccccc1	769618902	DBXHSFLPNWJDBV-MRXNPFEDSA-N	309.344	3.697	50	20	DHGD	
CCCc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1	769932537	VJXGSVPVZAYMLX-UHFFFAOYSA-N	314.345	3.696	50	20	DHGD	
N#Cc1cc(C(=O)NNc2c(F)cccc2Cl)ccc1Cl	770197270	CHTHQISFGIMOLS-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1c[nH]cc1-c1ccccc1	770339757	KUTWIUSNLVEODQ-NSHDSACASA-N	322.202	3.870	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CC3(CCC3)C2)c1	772833163	MBXFCPCTRZOVJS-UHFFFAOYSA-N	314.429	3.934	50	20	DHGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)NCCc1cccs1	773201043	OLOJNQABZPIPKA-DZGCQCFKSA-N	305.447	3.568	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C#N)CC)c1C	781144513	HFTXHBRHEDLNSL-KGZWWPETSA-N	313.401	3.657	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCCCc1ccsc1	783168198	DBIRYMTUGGSZOO-XNTDXEJSSA-N	313.378	3.537	50	20	DHGD	
C[C@@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1	785047394	YEPTUCWYLIKICI-FMNVXAMXSA-N	308.356	3.653	50	20	DHGD	
CC[C@H](Cc1ccccc1)N(C)C(=O)NCCSSC	790883987	ZTXZDSZJYHJNGB-CQSZACIVSA-N	312.504	3.660	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ncccc1C	791224227	CXOPOBPCNCNUQK-FMIVXFBMSA-N	301.777	3.590	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@@H](C)CC(C)C)o1	799110622	YKMBZMLUWNPMQN-AWEZNQCLSA-N	307.438	3.519	50	20	DHGD	
CC[C@H](C)CCC(=O)NNC(=S)Nc1ccccc1C(C)C	803177717	JRBJSKDUNXRVPS-ZDUSSCGKSA-N	321.490	3.954	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCSC(C)C)cc1	803256755	QGRIDLZUDQALLJ-RVDMUPIBSA-N	319.426	3.677	50	20	DHGD	
CCC[C@@]1(NC(=O)CCCC[C@H]2CCSS2)CCOC1	804537565	YBUYHCNLPHFXLL-DZGCQCFKSA-N	317.520	3.776	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCCc2occc2C1	808797705	DEVVIBBSHQIXPK-OMCISZLKSA-N	309.325	3.501	50	20	DHGD	
O=C(NCC1CC(F)(F)C1)NNc1ccc(Cl)cc1Cl	813766783	HDVUONLPKUODSW-UHFFFAOYSA-N	324.158	3.665	50	20	DHGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)CSc2ccccc2O)C1	814968760	DKDHUPDQEQMKQG-UONOGXRCSA-N	320.458	3.803	50	20	DHGD	
CC1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCCCC1	819747336	OCZPUVKFGBGFAE-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccc(Cl)cc2Cl)C[C@@H](C)O1	834934250	UDNXILQQSXPRAI-DTORHVGOSA-N	315.200	3.667	50	20	DHGD	
Cc1nc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)ccc1C#N	853897395	FXFBNYOOKSURDX-OAHLLOKOSA-N	317.509	3.862	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ccnc(Cl)c1	855466784	XLXDVIVRJBGNDW-LSDHHAIUSA-N	315.804	3.544	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093368	HIAORFZSNVCOPR-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
BrC[C@H](CN1CCC[C@@H](c2ccncc2)C1)C1CC1	859300689	DABPDPFDGOYDHQ-HZPDHXFCSA-N	323.278	3.682	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1csc(-c2ccc(Cl)cc2)n1	915838243	BDSNHNMSSCIRJU-XFFZJAGNSA-N	318.785	3.934	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)CC)c1cc(Cl)cc(Cl)c1O	915976202	FPSXIAZIIITPSF-MRVPVSSYSA-N	317.216	3.975	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)NC(=O)NNc1ccc(F)cc1	916643104	FPQHRSAVVIZHNN-LLVKDONJSA-N	321.783	3.736	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(Cl)cc1Cl	917550491	KNOCJRHDEZSJDZ-UHFFFAOYSA-N	313.106	3.786	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(\C#N)c2ccccn2)c1	918712649	DBYUSBSTHURWNS-NTEUORMPSA-N	302.337	3.544	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc2nc(C(C)C)sc2c1	921165163	WPFSKFJYLJTVSE-LUAWRHEFSA-N	315.398	3.802	50	20	DHGD	
Cc1cnc([C@@H](C)NC(=O)NNc2ccc(Cl)c(C)c2)s1	921347763	ZGJJYKCVPYUCFU-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2ccc(C(=O)O)[nH]2)cc1	1590472814	YNEYVFNZJVXGNB-JLHYYAGUSA-N	322.364	3.800	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)O)c1F	1592465685	JJXBNPOHRREFDB-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(CC(=O)O)c3)[nH]c12	1777448247	HZLQSXBTRVTAHI-OQLLNIDSSA-N	317.348	3.563	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)nc3cc(F)ccc23)c1	73689484	QEQRQKLLOUPEOT-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
N#CC(C#N)=CN[C@H](c1ccccc1)c1ccc2c(c1)CCCO2	107067263	CRMYVKKMSMZSGW-HXUWFJFHSA-N	315.376	3.622	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccccc2Cl)cc1OC	120751067	RCUSFRXVWFOQBM-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1C[C@@H]1c1cccc(Cl)c1	128646332	WXSYDHIOZNZKED-NEPJUHHUSA-N	322.195	3.635	50	20	DHGD	
CCSc1cc(Cl)ccc1C(=O)NNc1cc(C)ccn1	131385672	VTEXTZKUPCDAAQ-UHFFFAOYSA-N	321.833	3.912	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	157213778	GGYYZNOEIDJBNP-VZUCSPMQSA-N	314.282	3.668	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)c2c(F)cccc2F)c1	163787640	KASVBPSSZLNQJK-GFCCVEGCSA-N	304.340	3.828	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2OC)cc1	174051817	CUVVNCBNYPNKAU-VBKFSLOCSA-N	307.349	3.832	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1/C=C(\C#N)C(=O)NC(C)C	180204019	IJXAQMWNZGWNLI-WOJGMQOQSA-N	320.392	3.794	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccccc1F	211798490	WKTHUZRHJVOETK-XFFZJAGNSA-N	302.255	3.650	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1c(F)cccc1F	269581807	KKZKESZTEWARBU-UWVGGRQHSA-N	308.353	3.582	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	274596528	LLQUVPZVBFLATI-QWRGUYRKSA-N	318.314	3.946	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1	303848528	JRAVTFGYUSKSRY-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
COc1ccccc1CN(C)C[C@H](CBr)C1CC1	701859505	SDHHCBXFODMZMM-AWEZNQCLSA-N	312.251	3.548	50	20	DHGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	727944455	GDXDXGVJGBZPNL-ZBFHGGJFSA-N	300.406	3.543	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1C	728433700	MOZHZMQBSMEPQI-UHFFFAOYSA-N	318.323	3.750	50	20	DHGD	
CC(=NNC(=O)Cn1ccc2ccccc21)[C@@H](C)c1ccccc1	746370221	JNLHMCALCMGCMV-OAHLLOKOSA-N	319.408	3.937	50	20	DHGD	
CC1CCN(C[C@H]2CCCN(/C(=C\C#N)c3ccccc3)C2)CC1	750802063	UTDGOFXQIALUTQ-FSVDQFBKSA-N	323.484	3.995	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1ccc(C#N)cc1	754273970	HCUURVAKKOWALW-GOEBONIOSA-N	319.408	3.991	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cnc(C2CC2)s1)c1ccccc1	761809421	MEYUTECHPPJUHX-HNNXBMFYSA-N	313.426	3.664	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OC/C(Cl)=C/Cl	766747207	WCTDEBOYJISYJF-FXXDRWHHSA-N	304.011	3.658	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cc(Cl)ccc1O	769570906	YHLNDGOREHYUCM-MNOVXSKESA-N	308.809	3.978	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NNc2c(F)cccc2Cl)c1	770190670	KNTBMHMPUCBENA-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1cc(NC(=O)NNc2c(Cl)cccc2Cl)sn1	775657629	PCNKDZLLVPOOFR-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H]1CCCOC1	779995580	WMNHIYDKWFZDCM-MJBXVCDLSA-N	317.520	3.632	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C1(C)CCCCCC1)c1ccccc1	781160682	LLNKQTRDAOZGPF-INIZCTEOSA-N	316.445	3.688	50	20	DHGD	
CCOC(=O)[C@H](NCCSSC)c1cccc(Cl)c1	789698888	UCNMUVLOTOIFJH-GFCCVEGCSA-N	319.879	3.545	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@H](CC#N)c1ccccc1	795982850	TYGHLURTOKEZFS-OCCSQVGLSA-N	324.218	3.648	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)C(CC)CC)cc1C(=O)OC	800790986	CFBBNTXUTROETO-XYOKQWHBSA-N	303.358	3.541	50	20	DHGD	
C[C@@H](c1ccccc1)[C@@H](CO)NCCO[Si](C)(C)C(C)(C)C	808747473	NPYXEIUGXJENDA-DOTOQJQBSA-N	323.553	3.762	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccnc(C(F)(F)F)c2)c(C)c1	809700288	BZQXJEKZBVJEOM-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
C[C@@H](O)CC(C)(C)CNCc1ccc(OCCCCl)cc1	811482504	YLJNOTUOSNDVKP-CQSZACIVSA-N	313.869	3.581	50	20	DHGD	
N#C/C(=C\c1ccc2ncccc2c1)c1ccc([N+](=O)[O-])cn1	812244852	JKMQYGKFVIPGAB-NTEUORMPSA-N	302.293	3.602	50	20	DHGD	
O=C(CCOc1ccc2ccccc2c1)NNc1ccc(F)cc1	813403852	OACOJVJQVUIJDO-UHFFFAOYSA-N	324.355	3.891	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H]2CC2(F)F)c1C	816418328	LRQVMNUVMHLUDI-LULHVWEPSA-N	322.355	3.620	50	20	DHGD	
N#C/C(=C/c1cccc(C2CC2)c1)c1nnc2n1CCCCC2	817342969	VZSPWUVBRMMAGV-ATVHPVEESA-N	304.397	3.946	50	20	DHGD	
N#C/C(=C\c1cccc(C2CC2)c1)c1nnc2n1CCCCC2	817342972	VZSPWUVBRMMAGV-SFQUDFHCSA-N	304.397	3.946	50	20	DHGD	
CC1(C)[C@H](NCCO[Si](C)(C)C(C)(C)C)[C@H]2CCCO[C@H]21	831329293	UMZGLEUSADZXON-RBSFLKMASA-N	313.558	3.801	50	20	DHGD	
COc1ccc2nc(/C=C(/C#N)C(=O)C(C)(C)F)sc2c1	834447095	HQZHIQBRXLZOGD-TWGQIWQCSA-N	304.346	3.529	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCCc3cccnc32)cc1	837056575	BABZYAWGRFEASI-QGZVFWFLSA-N	309.413	3.768	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(O)c2)cc1	839720336	AUXZQOSGXZZKRR-ZWKOTPCHSA-N	324.424	3.937	50	20	DHGD	
CCOCC1(C(=O)NNc2ccccc2Cc2ccccc2)CC1	846460571	DOFSCANWMMEUSK-UHFFFAOYSA-N	324.424	3.537	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNCC(F)(F)C(F)(F)F	863101198	MOSLUGJXWOABCQ-NSHDSACASA-N	318.330	3.801	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(OC)c(O)cc1Cl	865225203	YVXLUUMFMDEUIY-WDZFZDKYSA-N	307.777	3.966	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1	916336751	OEAYQHKCTKIYDW-KRWDZBQOSA-N	324.424	3.838	50	20	DHGD	
CCCCC(C)=NNC(=O)c1ccc(F)cc1Br	917552278	FEYAYYCEVVJGFP-UHFFFAOYSA-N	315.186	3.884	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	1254630650	PFOAZYAHUGZXMY-AWEZNQCLSA-N	323.318	3.881	50	20	DHGD	
CCCn1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)c(C)n1	1337166347	JXCJOFWJAJFXOF-UHFFFAOYSA-N	314.433	3.656	50	20	DHGD	
Cc1oc(C(=O)O)cc1/C=C(/C#N)c1nc(C(C)C)cs1	1608036459	SAWSEVOBRXCAGD-WCIBSUBMSA-N	302.355	3.930	50	20	DHGD	
COc1ccc(-c2nc(NC(=O)[C@@H](F)Cl)sc2C)cc1	2088605884	WCHNWXCIVFCSHU-LLVKDONJSA-N	314.769	3.600	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)cc1	1078950	WZGGQJZYLIHFRU-FOWTUZBSSA-N	305.381	3.607	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccc(OC(F)F)cc2)c1	122346664	MPDWXSQCWXUZQH-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)C2CCCCC2)c(-c2ccncc2)n1	128881690	KYTIHODXCJFNQW-WJDWOHSUSA-N	320.396	3.538	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(C)nn(C)c2Cl)s1	170933520	PCTJELYBZSXGBK-UXBLZVDNSA-N	305.790	3.542	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)cn1	171981856	CTJVBFMAUBJEPA-WLRTZDKTSA-N	322.343	3.874	50	20	DHGD	
CS[C@H](C(=O)NNc1cc(C)ccc1F)c1ccccc1	177372883	RLROYYXAVJNEIR-HNNXBMFYSA-N	304.390	3.682	50	20	DHGD	
CO[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)CC1	374664403	PZOYFOBJDBHPKK-KBPBESRZSA-N	317.520	3.728	50	20	DHGD	
O=C(/C=C/c1ccc2[nH]ccc2c1)NNc1ccccc1Cl	492270014	DEZCZUCNYHAEGY-SOFGYWHQSA-N	311.772	3.978	50	20	DHGD	
Cc1ncccc1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	588384732	PXCFHUFCIMPQBB-LCYFTJDESA-N	314.291	3.781	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)Cc1csc(C)n1	727253529	GXSOJBBOUOLXNY-UHFFFAOYSA-N	315.442	3.509	50	20	DHGD	
CCC(=NNC(=O)CCc1ccccc1O)C1CCCCC1	729933981	BBQWMZMECRZEKK-UHFFFAOYSA-N	302.418	3.787	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)oc1C	735669302	DVCGSIUZOWAMMW-KPKJPENVSA-N	321.336	3.624	50	20	DHGD	
N#CC(C#N)=CNc1cc(Br)cc(C(F)(F)F)c1	743247521	QOCACOSPKRCFAP-UHFFFAOYSA-N	316.080	3.811	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCc2c(O)cccc21)c1ccccc1	743440970	AELSKAFUAQMXBS-OAHLLOKOSA-N	322.408	3.743	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)c1cccc(-c2ccccc2)c1	746489068	RESWVSUQKLXNED-UHFFFAOYSA-N	317.392	3.846	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ccccc2Br)C1	748065434	BEZXEBFJVBGVMJ-OYVNLZQHSA-N	309.207	3.639	50	20	DHGD	
Cc1cc(OCC(=O)NNc2ccc(F)cc2C)ccc1Cl	748544249	CRFHKIOQFQVRDN-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1C[C@H]1c1ccc(F)cc1	748589278	VXUSGOFYPULEAQ-ROUUACIJSA-N	324.399	3.951	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C1CCCC1	748725324	BOKQQAXYQPMNIW-SECBINFHSA-N	311.769	3.518	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2C[C@@H]2c2sccc2C)ccc1[N+](=O)[O-]	748834906	UBZDJOIGYMVEGE-QWHCGFSZSA-N	317.366	3.982	50	20	DHGD	
CC1(C)CCC[C@@H](C=NNC(=O)COc2ccccc2F)C1	752717289	BKNRTULODNWVLG-CYBMUJFWSA-N	306.381	3.523	50	20	DHGD	
CN(CC(=O)NNc1c(Cl)cccc1Cl)c1ccccc1	763612455	JEEXMUFEMCGMDA-UHFFFAOYSA-N	324.211	3.573	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C[C@H](C)CCC#N)cc2C1	766002788	QFSZGYZFGTYPNF-NWDGAFQWSA-N	303.431	3.528	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(Cl)c(Cl)c1	768494228	AVZZVQORMLWDSD-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
C[C@@H](CBr)COC(=O)/C=C/c1ccc(Cl)s1	770315224	AULNUBOGVQQFNI-WGAJWPLOSA-N	323.639	3.989	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(F)c(Cl)c1	770404828	RQERPGYFEGDODP-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)OC[C@H](C)CBr	770405484	KBXGQEVMWPXMKN-YPMHNXCESA-N	321.255	3.689	50	20	DHGD	
CC(=O)c1ccc(C(=O)NN(c2ccccc2)c2ccccc2)o1	770823323	JINWASHWPXREDR-UHFFFAOYSA-N	320.348	3.965	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)cc1	775377859	SQQWOJVKNXBHNA-UHFFFAOYSA-N	324.306	3.811	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CCc3c(Cl)cccc32)cc1	776230965	DQXRYMGXFADCEQ-HNNXBMFYSA-N	316.788	3.522	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc3ccccc3n2)c(C)c1	777464316	HOJRFJCIMLIAPU-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc(F)cc(Cl)c1	777466864	NMVLPCSVWQTEKS-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CSSCCNC(=O)c1ccc2ccc(Cl)cc2n1	791095313	OUTXIRJDTUQPBK-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
CSSCCNC(=O)c1cc2c(F)cccc2s1	791098079	VKPVPEVHBOVUCW-UHFFFAOYSA-N	301.433	3.781	50	20	DHGD	
CCCN(N=C1CCc2c(OC)cccc21)C(=O)OC(C)(C)C	794998784	VQWWBPPYPAIUGG-UHFFFAOYSA-N	318.417	3.993	50	20	DHGD	
Cc1ccc(-c2ccc(C)c(NC(=O)NNc3cnccn3)c2)o1	797655335	HMYCIWOLQNBHDB-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccc(F)c(F)c1	799757917	ORVPJVNBRNLHIF-UHFFFAOYSA-N	304.340	3.521	50	20	DHGD	
C/C(=C/C(=O)NNC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C	802048650	VWNVBJUDOSMFGX-LUAWRHEFSA-N	323.824	3.794	50	20	DHGD	
COc1cccc(CCC(=O)NNc2ccc(Cl)cc2)c1F	807120241	DUMDAKVCRDGLKY-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CCC[C@H](C(=O)NNc1c(C)cccc1F)c1ccccn1	807263931	WKPOENAJHDBCIH-ZDUSSCGKSA-N	301.365	3.556	50	20	DHGD	
O=C(NNc1ccccc1)Nc1c2c(cc3c1CCC3)CCC2	810320936	QLRDEIYOXVBSBC-UHFFFAOYSA-N	307.397	3.813	50	20	DHGD	
CC1=C(C(=O)NNc2c(C)cccc2C(C)C)SCCO1	812764676	BQORLVKXOCUUOY-UHFFFAOYSA-N	306.431	3.556	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1n[nH]c2ccccc12	812768232	LBYDEQXARZHCOE-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCSC(C)C	813165395	FTOPAGVTPMAKJJ-UHFFFAOYSA-N	309.479	3.886	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(C#N)s1	815005401	YXZIFYKPPYGZGY-UHFFFAOYSA-N	318.789	3.819	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2[C@@H](C=C(C)C)C2(C)C)cc1	817879869	RATFFYNJJGZFHT-CVEARBPZSA-N	302.418	3.767	50	20	DHGD	
COc1cc(F)cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)c1	834425011	GRBFUUWPHQZXGH-ZSOIEALJSA-N	316.376	3.532	50	20	DHGD	
CSCC1CCC(=NNC(=O)c2cc3c(s2)CCC3)CC1	834926881	XHKSUXYCIGGQIQ-UHFFFAOYSA-N	322.499	3.876	50	20	DHGD	
CC[C@H](C)[C@H](C=NNC(=O)c1c(Cl)cccc1Cl)OC	834953840	OBZARFWFRQLPCQ-CABZTGNLSA-N	317.216	3.770	50	20	DHGD	
C[C@@H](c1ccc(C(=O)NCC(Cl)Cl)cc1)C(F)(F)F	837644267	OCIZMTDVIMDCEJ-ZETCQYMHSA-N	314.134	3.886	50	20	DHGD	
C[C@@H](NNC(=O)c1sc2ccccc2c1Cl)C(F)(F)F	862304385	AXKQNRBIDXFLQP-ZCFIWIBFSA-N	322.739	3.740	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1sccc1CN(C)C	885125499	RVDLYOODEVVICJ-UHFFFAOYSA-N	323.849	3.528	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccc(F)cc1Cl	885135419	CQIPLVTXRPSGBK-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1	912582994	VGAVMOXOUCJIRU-ZNMIVQPWSA-N	309.526	3.655	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C[C@H]1CC=CCC1	916273828	UNJZNWYVBVIYJF-LBPRGKRZSA-N	308.834	3.890	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H]2CCCc3cccnc32)cc1	927377425	OMRIAXSGFMJWSG-QGZVFWFLSA-N	324.428	3.909	50	20	DHGD	
C=C[C@@](C)(CCOC)C(=O)NNc1cc(Cl)ccc1Cl	1255474620	UKIWTTIRMVWBRC-AWEZNQCLSA-N	317.216	3.665	50	20	DHGD	
CCCn1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	1338948948	MLOOUSUWVZCLLF-UHFFFAOYSA-N	314.433	3.656	50	20	DHGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=C1CCCCC1	7766098	SXWRJDVDHWZWKV-UHFFFAOYSA-N	313.426	3.789	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)NC(C)C)cs2)cc1	60421624	PRUAGSWZDHCZKD-RIYZIHGNSA-N	311.410	3.550	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccc(-c3ccccc3)nn2)c1	85654342	KEHWIBFYAUSBEH-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c(OC)c1	105571054	AIMADHNTKVNRCN-JYRVWZFOSA-N	313.378	3.864	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@H](CC)c1ccccc1)c1ccccc1	110343403	AFOFKAFABUDREI-HDICACEKSA-N	324.424	3.521	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2Cl)cnn1CCC(C)C	118957252	JUHZTIGCXLXFJV-UHFFFAOYSA-N	320.824	3.648	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1csc(-c2ccoc2)n1	120144212	OVCUBJYZJKXEQA-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1C	122790974	PTQBNHLQMRMIOV-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc(OC(F)F)cc1	123140261	ZQNRUIGIZRNAJR-NSHDSACASA-N	300.349	3.803	50	20	DHGD	
Cc1cc(C)nc(NC(=O)NNc2ccccc2C(F)(F)F)c1	126492720	DCSCUFNFLQCXLM-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Cl)cc2[N+](=O)[O-])c1	126647624	AQAQHNXVKVWDIU-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)o1	130299974	TWOYLLAOKYMQQM-ZROIWOOFSA-N	310.353	3.589	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)o1	130342526	NHFAXRZDSIDUCH-JYRVWZFOSA-N	307.305	3.962	50	20	DHGD	
CC(C)n1cccc1C(=O)NNc1ncc(Cl)cc1Cl	132462396	GRVWPBAYJAUWNA-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccccc3)cc2)c1	152240107	WLYMEKGBWXJIID-UHFFFAOYSA-N	313.360	3.982	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NNc1ccccc1F	153083925	FNHGTDOEPOVCKM-UHFFFAOYSA-N	310.328	3.501	50	20	DHGD	
O=C(NNc1ccccc1F)c1c[nH]cc1-c1ccc(F)cc1	153203181	ZASODOOYPMJVRO-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
Cc1cc(C(=O)NNC(=O)c2cccc3ccccc23)c(C)s1	157634464	ZXZHMXUHYBJWOD-UHFFFAOYSA-N	324.405	3.593	50	20	DHGD	
I[C@@H]1CCC[C@H]1OCC1CCCCC1	158384021	RCIDPCYIIZBOJP-VXGBXAGGSA-N	308.203	3.939	50	20	DHGD	
CCCOc1ccc(Cl)cc1NC(=O)/C(C#N)=C/OCC	159057858	YCICHPQYVODEDP-ZHACJKMWSA-N	308.765	3.511	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1	171418036	KUVJMWLTOMWHIM-KPKJPENVSA-N	315.735	3.728	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccc(C#N)cc1	179482159	UMRPCOLDAOMXET-FMIVXFBMSA-N	311.772	3.758	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc(F)c(F)c2)cc1	181137352	ZACPLUDDZXXAHL-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	211326614	WCONLMDNHXYNDK-GHRIWEEISA-N	316.360	3.553	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1c[nH]c(C(F)(F)F)c1	293269992	FNWDYIXYBPNBBA-UHFFFAOYSA-N	323.318	3.669	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cccs2)cc1	490693448	IXHHZPVRTAJVDD-HLVNSREUSA-N	312.394	3.541	50	20	DHGD	
CN(N=Cc1cnc(-c2ccco2)s1)C(=O)OC(C)(C)C	496787090	SPJDAJHNAKECBI-UHFFFAOYSA-N	307.375	3.604	50	20	DHGD	
C[C@H](CBr)CN(C)Cc1c(F)cccc1Cl	688928169	ULUYMGZXVGDDHU-SECBINFHSA-N	308.622	3.942	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2cccc(Cl)c2Cl)c1	728785045	REZKZPUPXFNNRV-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(C)c2C)cc1	731156406	DOXBHKJXIVGYKR-WQRHYEAKSA-N	311.406	3.950	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc2cccc(F)c2o1	743414996	HQPXBSFQYDJMLS-UHFFFAOYSA-N	324.233	3.746	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746893062	DLLYLOGKPSZSJO-JTQLQIEISA-N	313.323	3.846	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c[nH]c3ccc(F)cc23)cc1	747041352	GWNJTSTZJFTYFK-UHFFFAOYSA-N	309.344	3.633	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc3ccccc3n2CC#N)c1	748412816	HAXNZKKDIPORAD-UHFFFAOYSA-N	318.380	3.539	50	20	DHGD	
CCCCC1CCC(C(=O)NNC(=O)CC2CCCC2)CC1	749952674	YDAXREKEMZYSQE-UHFFFAOYSA-N	308.466	3.711	50	20	DHGD	
CC[C@@H](C(=O)NN=C[C@H]1CCOc2ccccc21)c1ccccc1	752166864	ZOZBYJGHTFRYGN-IAGOWNOFSA-N	322.408	3.849	50	20	DHGD	
Cc1ccc(C(=O)C(=O)NNc2cc(Cl)ccc2Cl)cc1	752809773	HXJYKCNYSNICDS-UHFFFAOYSA-N	323.179	3.628	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cc(Cl)nc(C)n2)cc1	755820013	KCOIAJPYTFAQBU-SNVBAGLBSA-N	318.808	3.709	50	20	DHGD	
CC[C@H]1CC[C@@H](C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)O1	757420994	ABBQNLYTEGOMED-ZBEGNZNMSA-N	315.325	3.611	50	20	DHGD	
CCCC1(C(=O)NNc2cccc(C(F)(F)F)n2)CCC1	759259272	QYDMFVBSESBKMG-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)CC(C)(C)C	763362816	LZOUBAOCSVCKNQ-UHFFFAOYSA-N	320.433	3.565	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-]	764886199	NWIQPCGBKFCSIU-OQLLNIDSSA-N	322.320	3.702	50	20	DHGD	
CCc1ccc(OCC(=O)NNc2c(F)cccc2Cl)cc1	770198382	ZMEIJMPNIDPKST-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
C#CCN(C[C@@H](C)CBr)[C@@H]1CCc2ccccc21	770648169	OVEJIJZDWZVXPH-XJKSGUPXSA-N	306.247	3.640	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C(F)(F)c1ccc(F)cc1	771692462	BRSUXHSMJJDYCU-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
Cc1cc(O[C@@H](C)C(=O)NCCCSC#N)ccc1C(C)C	774296428	GFJPAYWZUICCAT-AWEZNQCLSA-N	320.458	3.606	50	20	DHGD	
Cc1coc2ccc(NC(=O)NNc3cccc(C#N)c3)cc12	776085831	VHJCTRSMKADCNH-UHFFFAOYSA-N	306.325	3.762	50	20	DHGD	
N#CC1=CCN(Cc2csc(CCc3ccccc3)n2)CC1	779585442	AKSQXBGMEHKOOA-UHFFFAOYSA-N	309.438	3.584	50	20	DHGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)c2c(C)nc3ccccn23)C1	783798146	YTMAYNGRSPUZIY-LSDHHAIUSA-N	312.417	3.575	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccnc1)c1ccc(C(F)(F)F)cc1	788928226	CCGODFCTLZGRKO-NSHDSACASA-N	321.302	3.620	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(OCC2CC2)cc1	790101456	YGMMKFZXCXTCBA-SFQUDFHCSA-N	312.413	3.689	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794886079	YYPLZEUGCKGEAO-WJDWOHSUSA-N	316.364	3.802	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1nc(C)c(C)s1	799380273	QEPVLHMKZYGBRI-UHFFFAOYSA-N	304.419	3.779	50	20	DHGD	
Cc1cc(Cl)cc2c1O/C(=C\c1cnn(CCCl)c1)C2=O	811698460	RFKBEQRTTDUVDK-ACAGNQJTSA-N	323.179	3.700	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c1C	812248224	HETHITJGYZTXHD-KPKJPENVSA-N	320.318	3.998	50	20	DHGD	
O=C(NN=C[C@H]1CCCOC1)Nc1ccc(-c2ccccc2)cc1	814856707	REZGJDHAKAGSCQ-OAHLLOKOSA-N	323.396	3.888	50	20	DHGD	
C[C@]1(CNC(=O)c2ccsc2C(F)F)C[C@H]1Br	826859547	RXVKGDSPFMAZAF-RDDDGLTNSA-N	324.190	3.589	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1cc(Cl)cc(Cl)c1	830334387	GMGGNZZEZHAGIV-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
COc1ccc(-n2cc(/C=C(\C#N)C(=O)CC(C)(C)C)cn2)cc1	834417199	GWBHXAVFZFBLIN-OQLLNIDSSA-N	323.396	3.793	50	20	DHGD	
CC[C@H](C)[C@@H](C(=O)NNc1ncc(F)cc1F)c1ccccc1	837206957	QATVXAVSMKSMBJ-XHDPSFHLSA-N	319.355	3.633	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCCCO3)o1	840722312	IPMQUPMCCBYVBA-GDNBJRDFSA-N	323.348	3.929	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)n1c(C(C)C)nc2ccccc21	840722836	PFFFDGQVTSAMBI-NTEUORMPSA-N	305.385	3.723	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)[C@@H]1C[C@H]1c1cccs1	841617914	AGPISTSEXPNFAY-NWDGAFQWSA-N	319.817	3.706	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(F)cc1F	851894036	ZTDSWCVXLZCENP-CKLFPEKLSA-N	304.178	3.789	50	20	DHGD	
CC(CCc1ccc(F)cc1F)=NNC(=O)OCC(F)(F)F	853429484	KTAMJEBPOHPKAK-UHFFFAOYSA-N	324.249	3.562	50	20	DHGD	
CC(C)Cc1cccc([C@H](C)C(=O)NN[C@@H](C)C(F)(F)F)c1	862320925	XFPCCKIQFJSUBR-RYUDHWBXSA-N	316.367	3.560	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CCc1cnccn1	878779194	XZPKKXIDRHWMBS-MRXNPFEDSA-N	321.541	3.505	50	20	DHGD	
C[C@H](NS(=O)(=O)CCCCl)c1csc2ccccc12	881866107	QCMGGRPEZMDJAS-JTQLQIEISA-N	317.863	3.511	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1coc(C2CCC2)n1	885127320	QNSZBHLIEBNNOA-UHFFFAOYSA-N	305.765	3.661	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C[C@H](C)c1ccccc1	916304801	OTRWNVOCZLPLAI-HNNXBMFYSA-N	310.397	3.534	50	20	DHGD	
Cc1csc([C@H](C)NC(=O)NNc2ccc(Cl)cc2C)n1	916493432	KLGQTVINBOEHSP-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
O=C(CCl)Nc1ccc(-c2nc3c(F)cccc3[nH]2)cc1	1320466320	XPDHYJDDNCTXEO-UHFFFAOYSA-N	303.724	3.546	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)c1cncn1-c1ccccc1	1320771767	VZJMDRFROMXKOV-AWEZNQCLSA-N	310.401	3.558	50	20	DHGD	
CCc1ccc(C(=O)NNc2ncccc2Cl)cc1CC	1323443818	HJIOSZKYAXYQJF-UHFFFAOYSA-N	303.793	3.617	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1cc(C(F)(F)F)ccn1	1330659851	PQLCNEWTWOVTMH-JTQLQIEISA-N	303.328	3.760	50	20	DHGD	
CCCN(N=C(C)CC(C)(C)CC(=O)O)C(=O)OC(C)(C)C	1595894594	MTPVBGIQWMKVAT-UHFFFAOYSA-N	314.426	3.900	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=O)c1ccc(CC)cc1)c1ccccc1	6982820	CSCZORVKMOECIV-GOSISDBHSA-N	324.424	3.594	50	20	DHGD	
O=C(Cc1ccc(Cl)c(Cl)c1)NNc1ccc(F)cc1	45971555	WNGQFGSYAJBCPD-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CCCOc1ccccc1NC(=O)NNc1ccc(F)cc1	91991032	DSNCWBVIOBLDPR-UHFFFAOYSA-N	303.337	3.763	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2Oc2cccnc2)c1	109427405	ZUNKCVWQIKPXOZ-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
C[C@@H](c1ccc(Cl)cc1Cl)N(C)S(=O)(=O)CCl	111001319	AFXFFUFNJOQQCH-ZETCQYMHSA-N	316.637	3.512	50	20	DHGD	
CC(C)(C)c1ncc(C(=O)NNc2ccc(Cl)cc2)s1	120192837	ZVHQWDOCVPMLNI-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	120876419	UPEQYJWWCMREDC-NEPJUHHUSA-N	300.324	3.807	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	125601986	UZVCWLSGUYWYPQ-UHFFFAOYSA-N	319.748	3.568	50	20	DHGD	
O=C(NNc1cccc(Br)c1)C1=CCCCCC1	131879855	LTJSXWPZXIXPIE-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
O=C(CCCOc1ccccc1Cl)NNc1cccc(F)c1	154388215	GXXUCQKJAVBQEF-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
COc1cccc([C@@H](NC=C(C#N)C#N)c2ccccc2Cl)c1	157498418	HGLTYJKDMGPWGY-GOSISDBHSA-N	323.783	3.959	50	20	DHGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)Nc1ccccc1	164614066	RHUVRGALKCVZNY-KAMYIIQDSA-N	317.323	3.920	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccccc1OC1CCCC1	183071707	CNBINULHDOWCIX-UHFFFAOYSA-N	312.373	3.552	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1OC	184837149	PMLBNBZVYWXWOM-MHWRWJLKSA-N	307.349	3.802	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)o1	184888260	SHRGTPVPSCMPPF-GXDHUFHOSA-N	309.321	3.555	50	20	DHGD	
COc1cc(NC(=O)NNc2ccc(F)cc2)ccc1Cl	194374411	UHBXQYHMXDMTNE-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCCC1CCOCC1	281770546	MFWUMUXQGVGBLT-UHFFFAOYSA-N	304.434	3.597	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(NC(C)=O)c1	293891369	JJIFZQOEQJCVLM-CYBMUJFWSA-N	305.422	3.695	50	20	DHGD	
COCCn1c(C)cc(/C=C(\C#N)C(=O)CC(C)(C)C)c1C	299000484	ATOKXDCJBJVGRE-MHWRWJLKSA-N	302.418	3.664	50	20	DHGD	
BrCc1nccc2cc(Br)ccc12	575436242	AXUPDHUGFIYIQA-UHFFFAOYSA-N	300.981	3.892	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1ccc2ccccc2c1	728785101	UEIBDRKXPWJEOK-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1csc(-c2csc(C)n2)c1	729144439	WVGVRDUGSOZUFJ-UHFFFAOYSA-N	307.444	3.676	50	20	DHGD	
O=C(NN=Cc1cc[nH]c1)c1ccc(-c2ccc(F)cc2)s1	745196198	HAIZUHSQCVXDLJ-UHFFFAOYSA-N	313.357	3.646	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1ccc(OC)cc1	746885582	AGRPNAHANLOGSZ-JQFCIGGWSA-N	320.433	3.512	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)C1(c2ccccc2)CCC1	749531398	SWKAIZPZVFVOLQ-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(F)c(C(F)(F)F)c2)o1	755767676	JYWSAVYNFLICDY-UHFFFAOYSA-N	314.238	3.510	50	20	DHGD	
Cc1csc(CC(=O)NN=C[C@@H](C)CC2CCCCC2)n1	758098332	CVFPLDGCZUFQHA-LBPRGKRZSA-N	307.463	3.703	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2ccsc2C1	761121870	HSTIYLZIZMQLLQ-SYZQJQIISA-N	311.366	3.579	50	20	DHGD	
CC(C)N(CC1CCC1)C(=O)[C@H](Br)C(C)(C)C	769252598	HQNMOVKNEOZYJJ-LBPRGKRZSA-N	304.272	3.833	50	20	DHGD	
C[C@@H](CC(=O)NNc1c(F)cccc1Cl)c1ccncc1	770203473	LYOWKLWREKLIQL-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cccc2cc[nH]c12	776067713	KLTLJHWZXPIDMI-UHFFFAOYSA-N	302.284	3.595	50	20	DHGD	
CC(C)c1ccc(CNC(=O)NNc2cc(Cl)ccn2)cc1	778626881	NZEXBMHRNQICCD-UHFFFAOYSA-N	318.808	3.685	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)c1cccc(OC(F)F)c1	779773942	QKABEGWLRFQFKX-NSHDSACASA-N	310.344	3.974	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C[C@@H]1CCCC[C@H]1C	783813146	IJEKMMZKJPQSRY-RDBSUJKOSA-N	306.381	3.521	50	20	DHGD	
Cc1ccc2c(c1)CCN(/C(=C\C#N)c1ccc([N+](=O)[O-])cc1)C2	792312848	QKKJGUDLXTTYNA-UWVJOHFNSA-N	319.364	3.826	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccccc1OCC	797317029	CQBVABQZZJSDSX-SSZFMOIBSA-N	300.402	3.689	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@H]1CCC[C@@H](C)C1	799756435	BAPUYYRNARLGKP-CJNGLKHVSA-N	304.434	3.596	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2oc(C)nc2c1	799757140	WGVMXHHGGCMPPL-UHFFFAOYSA-N	309.369	3.764	50	20	DHGD	
CC[C@@H](C)CCC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	808742621	DHSYRNIGJAREGX-LLVKDONJSA-N	302.330	3.875	50	20	DHGD	
CCN(Cc1ccc(OCCCCl)cc1)C[C@@H]1CCCO1	811458524	UXSATLWWISDNBX-KRWDZBQOSA-N	311.853	3.695	50	20	DHGD	
CSc1cc(C(=O)NNc2c(C)cccc2C(C)C)ccn1	812769351	CIQBDEPKXOOSOK-UHFFFAOYSA-N	315.442	3.992	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1cccc(Cl)n1	817008722	FMOBAKZGOBWMFZ-LLVKDONJSA-N	321.833	3.500	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3ccccc3c2O)c1	832292220	CYZOEISOUDQUEO-UHFFFAOYSA-N	306.365	3.919	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC(C)(C#N)CC1	834937371	PRQQFDGZEZHSKJ-UHFFFAOYSA-N	319.792	3.538	50	20	DHGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)c1csnn1	836095283	HCWZFGLVOZVTSH-VHSXEESVSA-N	318.489	3.856	50	20	DHGD	
C[C@@H]1C[C@H](NC(=O)CCCC[C@H]2CCSS2)CS1	839825569	JXESARIAAVDZBJ-WOPDTQHZSA-N	305.534	3.711	50	20	DHGD	
C[C@H](c1csnn1)N(C)CCO[Si](C)(C)C(C)(C)C	844345657	WOHFQDFZOAHSNP-LLVKDONJSA-N	301.532	3.553	50	20	DHGD	
O=C(CC1CCC1)NNc1ccc(Cl)c(C(F)(F)F)c1	846378448	HLYMRPLKGBASSJ-UHFFFAOYSA-N	306.715	3.992	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1CCCS1	846379535	YDIFMMSWBUPTDN-SNVBAGLBSA-N	324.755	3.698	50	20	DHGD	
CC(C)(C)c1ncc(CNC[C@]2(C)C[C@H]2Br)s1	856807194	LVSRBVOBSIVURU-MFKMUULPSA-N	317.296	3.704	50	20	DHGD	
CO[C@H](c1ccccc1)[C@H](C)NC[C@]1(C)C[C@@H]1Br	857083459	WURDMASPURHSFZ-MXAVVETBSA-N	312.251	3.526	50	20	DHGD	
CC1(C)CN(C[C@@H](CBr)C2CC2)[C@@H]1c1cccnc1	859362040	PUBLBFSAVSCTFB-HUUCEWRRSA-N	323.278	3.886	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1cc(F)ccc1F	859458891	UESBGYCQJOFFHZ-SECBINFHSA-N	319.145	3.543	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2cnc(C(C)(C)C)s2)c1	863155520	NTWNTPUMXRWRSZ-UHFFFAOYSA-N	307.444	3.574	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2nc[nH]c2C(C)(C)C)cc1	867291145	GNJPJJVCTFBMCZ-UHFFFAOYSA-N	314.433	3.762	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2CC23CCC3)C1	912581763	JUQQIGGCYUILGW-KBPBESRZSA-N	309.526	3.799	50	20	DHGD	
CC(C)c1ccccc1OCC(=O)NNc1ccccc1Cl	912646464	BWHSVHVJOWMTBT-UHFFFAOYSA-N	318.804	3.986	50	20	DHGD	
O=C(COc1ccccc1F)NN=C1CC[C@@H]2CCCC[C@H]2C1	916300414	FCPNMJDMJINDBE-KBPBESRZSA-N	318.392	3.667	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	920879250	MKMLHIQXODXAGQ-INIZCTEOSA-N	324.424	3.760	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2cc(F)ccc2C)c(C)o1	1118530933	WPPXDNGTDNOVLA-NSHDSACASA-N	305.353	3.731	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc3c(c2)CCC3)c1	1320624878	NSNKNJAJJUASMP-NDENLUEZSA-N	316.404	3.707	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1cccc(C(=O)O)c1C	1594958495	CBSJLSHZGOULOE-LBPRGKRZSA-N	306.406	3.743	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)s1	6958823	IIZUKTWDFPZATR-ZRDIBKRKSA-N	312.394	3.865	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CCC2CCCC2)cc1C	41959682	HDDCIAOEAMUTER-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC#Cc1ccccc1	42062153	WRJZLEQTILPREB-MRXNPFEDSA-N	319.495	3.868	50	20	DHGD	
COc1ccc(SCC(=O)NNc2cccc(Cl)c2)cc1	78387148	BLTAIDHUVVWDRU-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1SCCc2sccc21	79440809	KRDXHHKVDXBXFG-CYBMUJFWSA-N	324.858	3.875	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	119031152	UKJZQTOTQDQPPL-GJZGRUSLSA-N	302.324	3.520	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2ccc(F)cc2C)c1	119107217	HJGLWOXDSCFAKN-UHFFFAOYSA-N	302.349	3.680	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2ccnc3ccccc23)s1	127046518	UTGPVUSSICZVGF-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)cc1F	127242287	UPAZJNGPIKPFSZ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)o1	130188645	QUNIHIUUZJCOEZ-RAXLEYEMSA-N	301.342	3.513	50	20	DHGD	
Cc1cscc1C(=O)NNc1ccc(OC(F)(F)F)cc1	134252744	ZIKVDJVCJFODQJ-UHFFFAOYSA-N	316.304	3.712	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@H]1c1c(F)cccc1F	158313490	WSPWFFKIHRVMCO-ZJUUUORDSA-N	322.742	3.865	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccccc2Cl)CC1	158314242	AIIRXVGDLSXVHE-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1c1cccc2ccccc12	159154858	PKXBTUMSQQGAQX-WLGQOEQESA-N	320.392	3.947	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(F)cc2cccnc12	159440427	XJTVJMYILYHXNC-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
N#C/C(=C\c1c[nH]nc1-c1c(F)cccc1F)c1ccccn1	178365904	JUCURPARPDIBCN-DHZHZOJOSA-N	308.291	3.814	50	20	DHGD	
CSc1ccc(NC(=O)NNc2ccccn2)cc1Cl	180698850	GFVAOTPJCLMJIL-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc(-c2ncco2)cc1	182566532	PUARPBGMRNWEGZ-UHFFFAOYSA-N	312.304	3.629	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2c(C)noc2C)c(C)c1	192772776	XCBGBUAUBMMJBH-OVCLIPMQSA-N	309.369	3.762	50	20	DHGD	
Cc1ncsc1CCC(=O)NNc1ccc(C(C)(C)C)cc1	298853682	FMHSLQTUYXOVSO-UHFFFAOYSA-N	317.458	3.825	50	20	DHGD	
CSSCCNC(=O)c1cc2ccccc2c(Cl)n1	397785793	FWCIVENGYGTMBF-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2scnc2C2CC2)c1	491080332	CWRUXTJHXVCOHR-JYRVWZFOSA-N	309.394	3.875	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)CNc1ccc(OC)cc1	727254660	UJHXZFZSRJWJLH-CQSZACIVSA-N	317.433	3.570	50	20	DHGD	
CC(C)C(=NNC(=O)c1ccc2c(c1)OCO2)C1CCCCC1	733902730	ZIFHGIOINYXCIK-UHFFFAOYSA-N	316.401	3.737	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1nc(C)cc(C)n1	733950220	RJBIMPHVBUWDTF-HNNXBMFYSA-N	304.438	3.533	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cc(Cl)ccc1O	744775964	KRVGDCDNNPVYIU-MGAJPHDKSA-N	318.804	3.588	50	20	DHGD	
COc1ccc2cc(C=NNC(=O)CC3CCCC3)ccc2c1	749449469	FYOSYCMXAJPOHQ-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
CSc1ccc(NC(=O)NNc2ccccc2Cl)nc1	752822063	HTHCTLSUODYLFC-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
CC(C)C(=O)NN=C1CCC(O)(c2ccc(C(C)C)cc2)CC1	753918160	HGOMLOSOROFNLM-UHFFFAOYSA-N	316.445	3.700	50	20	DHGD	
CC[C@@H]1CC(=NNC(=O)c2cc3c(s2)CCCCC3)CCO1	756823290	JJXKAGPKEWJBPU-CQSZACIVSA-N	320.458	3.692	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)C1(Cc2ccccc2)CCC1	758291428	IUDHEQVRFKGRSJ-UHFFFAOYSA-N	315.804	3.591	50	20	DHGD	
CCSc1ccccc1C(C)=NNC(=O)c1ccccc1O	759646670	OMTPXJRKGXABKZ-UHFFFAOYSA-N	314.410	3.658	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)CSc2ccccc2OC)C1	761269315	ARMJTCJDFMWTPS-CYBMUJFWSA-N	320.458	3.860	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	762003978	YZGYMTQIQGCAOM-VIFPVBQESA-N	313.785	3.764	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(Cl)cc1Br	769797619	WMTVAPFJURSGDR-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1cccc(F)c1	772178501	HBHHLPNKCRWGGC-MHWRWJLKSA-N	317.323	3.801	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2cnc(C(C)C)s2)ncn1	773178092	ZZHZEPZFGRIICU-ONNFQVAWSA-N	302.428	3.843	50	20	DHGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)NCc1ccccc1	776721290	DYBCABHGPKGMJP-NSIKDUERSA-N	314.747	3.702	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)/C(C#N)=C\c1ccc(O)cc1	787371780	XPUFGUZNDQJIOA-LDHAAXQRSA-N	312.413	3.632	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3c2)cc(Cl)n1	788714436	JEKUQALKPJVWQY-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CSSCCNC(=O)N[C@@H](CC(C)(C)C)C(F)(F)F	790813142	KDUTZAZILBJASL-QMMMGPOBSA-N	318.430	3.664	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1cc(Cl)ccn1	798990590	XKJIUQFVOGVALQ-UHFFFAOYSA-N	315.804	3.762	50	20	DHGD	
CC1(CC(=O)NNC(=O)Nc2ccc(Cl)cc2)CCCCC1	802022236	JGEBSPOCMCAXPB-UHFFFAOYSA-N	323.824	3.853	50	20	DHGD	
N#Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)ccc1F	802823685	AFPMBWACOPBZPI-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CCc1ccccc1OCCC(=O)NNc1ccc(F)cc1C	802829180	VVVJZZKEKVDVHA-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2cccc(F)n2)c(Cl)c1	806136051	RCJHZNPBHQFZBA-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
O=C(/C=C/c1ccc(OCCCCl)cc1)c1ccncc1	811684928	FGHRNZIHUCFFQO-QPJJXVBHSA-N	301.773	3.985	50	20	DHGD	
C=CCC1(C(=O)NNc2ncnc3ccsc23)CCCCC1	827032297	TXWITIZJGIGBSU-UHFFFAOYSA-N	316.430	3.661	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1ncc(Cl)cc1Cl	829748627	SVMJRTVPTOMCIQ-AMIZOPFISA-N	302.205	3.658	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@]1(C)CC1(Cl)Cl	831243165	JZCPVRLPCFNRRX-CQSZACIVSA-N	315.244	3.975	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2ccc(C(=O)O)c(Cl)c2)C[C@@H](C)C1	833595116	SOSCRGJCGGQBPV-UWVGGRQHSA-N	324.808	3.554	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CCCC1(F)F	838671873	FLYONDPOSFDEDG-CYBMUJFWSA-N	311.376	3.619	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCCCCO3)o1	840722314	IPMQUPMCCBYVBA-XNTDXEJSSA-N	323.348	3.929	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)N(C)CC(Cl)Cl	848085172	PYUIGQAJSDSOAV-GFCCVEGCSA-N	302.245	3.826	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2cc(C)cc(C)c2)c1	857490060	ISRHIMZJBAPNPE-UHFFFAOYSA-N	314.454	3.988	50	20	DHGD	
Cc1cnccc1CN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	859352651	SKALPOBDXKLURQ-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)sc2cc(F)ccc12	862321092	YEQBZUCSEREGJH-ZETCQYMHSA-N	320.311	3.534	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCCC(F)(F)C1	862507259	XFZSIAHBFLAYMM-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
Cn1ccc(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1	891545723	GAJFEKGQAHLTRS-HNNXBMFYSA-N	322.525	3.652	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cnn(CC4CCC4)c3)[nH]c12	899343920	HLGRDCPQRRCOKX-PXNMLYILSA-N	317.396	3.932	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)nc2F)cc1	907270049	HTYMKHSDSFTKBA-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
CCC(=NNC(=O)c1ccncc1)c1ccc(Cl)cc1Cl	916243137	WDGFWWKRVOYBPK-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccccc1OC1CCCC1	920361255	IXAAQXNHTBCAJG-UHFFFAOYSA-N	304.390	3.867	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cc(F)cc2F)c(C)n1C1CC1	1333999924	YVECUIYZLOPSAN-UHFFFAOYSA-N	323.318	3.614	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2cc(F)c(C(=O)O)c(F)c2)sc1C	1777489280	VBYMDYNSUGELPB-XCVCLJGOSA-N	320.320	3.801	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc1F	16968935	MEUOYTQAKHXOIC-NTEUORMPSA-N	321.311	3.948	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccnc(C)c2)c1C	101630860	ODJDTQZYJNOVQI-BOPFTXTBSA-N	322.412	3.764	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)SCc2ccccc2)cc1	120876270	ZYGBRSPBVQCWME-AWEZNQCLSA-N	300.427	3.760	50	20	DHGD	
O=C(CCC1CCOCC1)NNc1ccc(Cl)cc1Cl	178883708	SKQQSJDPMBVQQE-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-c2ccccc2)[nH]1	179011928	MTFQPPFPZKYMNO-UHFFFAOYSA-N	309.344	3.886	50	20	DHGD	
O=C(CCCOc1cccc2ccccc12)NNc1ccccn1	181177253	SLRRGVQIGNNGIL-UHFFFAOYSA-N	321.380	3.537	50	20	DHGD	
COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1	254458577	TWBILVIRDSKLEM-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc3ccccc3cc2O)s1	254572713	SCBYOEOIQTYGJC-UHFFFAOYSA-N	310.378	3.679	50	20	DHGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1ccc(F)cc1	255915530	LIJSPDFCECPMHE-QXMHVHEDSA-N	307.328	3.530	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	274596530	LLQUVPZVBFLATI-WDEREUQCSA-N	318.314	3.946	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccnn2C(C)C)cc1	490700296	UWQLHIZIHAMIKX-PTNGSMBKSA-N	308.385	3.572	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2scnc2C2CC2)c1	491176539	QDMVOVBAVIHZNM-OVCLIPMQSA-N	323.421	3.552	50	20	DHGD	
CC(C)CC[C@@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588608367	JBFQUYLWIUQGMY-MOKGIYGOSA-N	312.413	3.726	50	20	DHGD	
CCOCC(=O)NN=C(C)c1ccc(C2CCCCC2)cc1	731152457	IPBUOXBSRXKFBW-UHFFFAOYSA-N	302.418	3.611	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ncccc1C(F)(F)F	740096230	BZFWWIIADRNGRO-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2)cc1	747049165	HSNLIKZPUHWPAX-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1oc2ccccc2c1C	747052400	GDQJREKWBMQZOB-UHFFFAOYSA-N	317.348	3.767	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)[C@@H](C)c1ccccc1	747592193	JSULVUPHEQVBMA-OLZOCXBDSA-N	301.365	3.644	50	20	DHGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1ccsc1	749099612	QVKVKIQUCHWYER-UHFFFAOYSA-N	324.405	3.821	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)CCc1ccccc1	749744960	MJEBHOZGJLMIFE-UHFFFAOYSA-N	310.397	3.557	50	20	DHGD	
Cc1cccc(C)c1CCNC(=O)/C(C#N)=C/c1ccc(F)cc1	752580198	XPVXXJFTXCRGCM-SFQUDFHCSA-N	322.383	3.708	50	20	DHGD	
N#C/C=C/COc1cc(OC/C=C/C#N)c(Cl)cc1Cl	763296862	ASSPQCVVTVURRF-ZPUQHVIOSA-N	309.152	3.911	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=C[C@H](C)CCC#N	765994742	KFEWKYYSRPUFBH-CABCVRRESA-N	323.396	3.649	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CC(C(F)F)C3)cc2C1	766015280	JUXCDPHQCXEKRF-HNHGDDPOSA-N	312.385	3.634	50	20	DHGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)C1CCCCC1	767712791	HZUADGCSNKFGAV-ODLFYWEKSA-N	319.408	3.988	50	20	DHGD	
Cc1cncc(C(=O)NNc2c(Cl)cc(F)cc2Cl)c1	768010145	ZYZTXCNQGCZBEX-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)C1CCCCC1	768183565	YYKALLVCLIASJA-ZYHUDNBSSA-N	304.272	3.881	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cccc(Cl)c1F	775448331	NPOCHAOVKHQSIF-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1ccc2ccccc2n1	777462438	SBSKAEUYILTSFG-UHFFFAOYSA-N	317.348	3.667	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)[C@H]1CCCOC1	779771244	ARWBRSRHBBMELJ-JTQLQIEISA-N	315.200	3.526	50	20	DHGD	
C[C@@H]1C(=NNC(=O)c2cccc(Br)c2)CCC[C@H]1C	781126387	GICDAFGIBSEWKC-MNOVXSKESA-N	323.234	3.991	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ncccc2C)c(Cl)c1	781593160	TWEMHCWENGZSAW-UHFFFAOYSA-N	302.765	3.507	50	20	DHGD	
COc1cc(C(=O)NN=CC2(C)CC2)ccc1OCCC(C)C	782166104	HRCRPBXAMXKEKF-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(N2CCN(/C(=C\C#N)c3ccccc3)CC2)cc1	784395293	XRDGYLFPVHZDBZ-JAIQZWGSSA-N	303.409	3.682	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)cc1C	786049089	FKCAZSQNORWQGZ-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)c1	786052160	ZSECKROGJJFWIG-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
COc1cc(NNC(=O)c2cc(C)ccc2F)ccc1Cl	790174795	LGVISZNQCIPXAJ-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
C=C(CBr)CN1CC[C@H](c2c(F)cccc2F)C1	791493934	OXLOXNKEMJBTBL-NSHDSACASA-N	316.189	3.705	50	20	DHGD	
Cc1ccc(NC(=O)NN=C[C@H]2CCCSC2)c(Cl)c1	794911737	OZNLINPWCSSKMY-LLVKDONJSA-N	311.838	3.899	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](CC)Nc1ccccc1	799757322	RAGATEYZJAOYJU-KRWDZBQOSA-N	311.429	3.891	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1C	806554437	TXVZVMNQGDTXAU-UVTDQMKNSA-N	301.386	3.925	50	20	DHGD	
C=C(CNC(=O)[C@@H](Br)C(C)(C)C)c1ccccc1	813624309	XPSLPRRNXSVDQK-CYBMUJFWSA-N	310.235	3.626	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1	815002999	AFRPOQCAPXTDQH-UHFFFAOYSA-N	303.749	3.591	50	20	DHGD	
CC(C)c1ccc(SCC(=O)NCCCSC#N)cc1	816538890	LFUPIQJQWTYRTP-UHFFFAOYSA-N	308.472	3.623	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	817005419	SMVSFMNQIYDTHE-ZDUSSCGKSA-N	303.793	3.762	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1(c2ccc(Cl)cc2)CC1	817011441	UQBMHVAFXADAQJ-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2ccc(Cl)c(F)c2)cc1	817915720	RPYUDALHIRRJBK-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CCCC(=NNC(=O)c1cccc(N(C)C)c1)C1CCCC1	834924928	VWYSMWFYIWYTBA-UHFFFAOYSA-N	301.434	3.829	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@H](C)CC(F)(F)F)c(Cl)c1	840439845	JDFVVKYCTBTBBD-SECBINFHSA-N	323.746	3.863	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)c1	841409521	VFPJZBKDLRPUOX-RTBURBONSA-N	324.424	3.567	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccnn1CC(C)C	843262662	DJQWDUPTXNNMSV-YBEGLDIGSA-N	322.412	3.702	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	844134196	BRZPUSDLXCDVGV-JGVFFNPUSA-N	321.368	3.677	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2C=CCC2)c(C)n1CC(C)C	855421621	IJQVKDUOWYQBTR-WAFWZSCLSA-N	311.429	3.503	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCCC(F)(F)C1	855620578	ZIXYIAAJTTVEJP-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(Br)cc2)C[C@H]2CC[C@H]1C2	860317087	OVVHZHSBYQAVOT-ZIBATOQPSA-N	323.234	3.719	50	20	DHGD	
CCC[C@H](C(=O)NCCCSC#N)c1cccc(Cl)c1	861551652	QYIIKIZAKMZMAQ-AWEZNQCLSA-N	310.850	3.944	50	20	DHGD	
CCO[C@@H](C(=O)NNc1ccccc1Cc1ccccc1)C1CC1	862128754	IXCRWCUNWAYNER-LJQANCHMSA-N	324.424	3.536	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NN[C@H](C)C(F)(F)F	862313603	KIGLYOBOQGTOQR-YPMHNXCESA-N	308.388	3.801	50	20	DHGD	
CCCN(N=Cc1cccc(NC(C)=O)c1)C(=O)OC(C)(C)C	872372645	GVIZTXXKBXMGMV-UHFFFAOYSA-N	319.405	3.626	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1ccc(F)c(F)c1	885113422	ZQFWAUXSLMDJGO-UHFFFAOYSA-N	310.369	3.801	50	20	DHGD	
CC(=NNC(=O)c1ccc(Br)s1)c1ccccc1	916354269	IMEIQBRKDYBWIX-UHFFFAOYSA-N	323.215	3.665	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1ccc(Cl)c(F)c1	1116186395	DCUMLFGDZPLMMQ-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
CC[C@H](NC(=O)C1CCC(Cl)CC1)c1nc(C)cs1	1263727526	PHXHBFVKYCMXDP-MCIGGMRASA-N	300.855	3.816	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1318589432	JCZYMQMDTBYZGM-CYBMUJFWSA-N	321.469	3.759	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CC[C@H]1CCOC1	1326711391	XLOSFNQRQXCNOK-HOTGVXAUSA-N	313.558	3.899	50	20	DHGD	
COCCOC(=O)/C(C#N)=C\c1cc(-c2ccccc2)cs1	54801793	ZVBVMUJPKDQDOM-ZROIWOOFSA-N	313.378	3.512	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)c1c[nH]c2ccccc12	54802181	MQYVYHZTZBQRGI-XNTDXEJSSA-N	314.344	3.893	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)n1	56391379	XZVOTEMRSZSAEW-UHFFFAOYSA-N	324.384	3.522	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1cccc(-c2ccoc2)c1	89856102	OYIQVWXWJQNTRH-UHFFFAOYSA-N	323.308	3.612	50	20	DHGD	
O=C(CCc1ccccc1OC(F)(F)F)NNc1ccccc1	111554528	YZNASOASLSPRFA-UHFFFAOYSA-N	324.302	3.661	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CC=CCC2)ccc1Br	114889710	XXPCPEDUWJJWFS-LLVKDONJSA-N	309.207	3.557	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2cccc3cccnc23)c1	121887874	LOLHWHJVPLZDDE-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)C(=O)C2CCCCC2)c1	128924659	FJNSHVSHPSXEGL-ATVHPVEESA-N	313.397	3.768	50	20	DHGD	
CO[C@H](CNC(=O)CCCC[C@@H]1CCSS1)C(C)(C)C	174789861	SPURMXSLFZVNJK-CHWSQXEVSA-N	319.536	3.878	50	20	DHGD	
O=C(CC(c1ccccc1)c1ccccc1)NNc1ccncc1	180521700	ZVOOMGBWWZYHII-UHFFFAOYSA-N	317.392	3.747	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)n[nH]1	181122134	KFIJXBQMXDUNGD-UHFFFAOYSA-N	300.406	3.588	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)CCCCCc1ccc(F)cc1	189114941	PLSGNBMPRLLCQY-UHFFFAOYSA-N	322.424	3.512	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc(F)cc(C(F)(F)F)c1	191759180	FUWGTJFOEFXWOA-WUXMJOGZSA-N	321.295	3.534	50	20	DHGD	
COc1ccc(NNC(=O)CCCc2cc(C)sc2C)cc1	267828591	VEGGKINMIVPZDX-UHFFFAOYSA-N	318.442	3.840	50	20	DHGD	
CC1=C(C(=O)NNc2cc(Cl)ccc2Cl)CCCO1	270223881	NNWIRFYZHHZJTJ-UHFFFAOYSA-N	301.173	3.521	50	20	DHGD	
N#CC1=CCN(C(=O)CCCSc2ccc(Cl)cc2)CC1	271153297	VBGRDANMTVGLIX-UHFFFAOYSA-N	320.845	3.895	50	20	DHGD	
CN(N=Cc1cc(O)cc(C(F)(F)F)c1)C(=O)OC(C)(C)C	495847974	DRJQDSYIYVEKIM-UHFFFAOYSA-N	318.295	3.612	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	588429273	XJAZXOVROPXKSV-SWEABUAFSA-N	308.356	3.919	50	20	DHGD	
O=C(NN=C(/C=C\c1ccccc1)c1ccccc1)c1ccc[nH]1	725855313	YGNFRQHDPOVFIG-BJONTPKISA-N	315.376	3.862	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1cc(C)ccc1O	731150226	CUMPDFLFHIPXHH-UHFFFAOYSA-N	310.397	3.519	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2cc(C(C)C)no2)c(C)c1	734071591	JUJUJTPULYRIRJ-UHFFFAOYSA-N	316.405	3.550	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)c3ccccc3)s2)cc1	734296929	WKJLVHGRWWPWOH-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(F)cc1)c1ccccc1O	741159974	IDCOAVOBWRHKOH-AWEZNQCLSA-N	312.344	3.585	50	20	DHGD	
CC(C)C(=NNC(=O)Nc1ccc(OC(F)F)cc1)C1CC1	741771685	VDONQOJSRXSYGB-UHFFFAOYSA-N	311.332	3.832	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)ccc1Br	747691002	SMFKXFRNUOMJHD-VPMLRQHESA-N	322.202	3.980	50	20	DHGD	
O=C(NNc1cccc(Br)c1)C1CCCCCC1	748034147	WUVMROKXUMQVBF-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
CC(C)OCc1ccc(C(=O)NNc2ccccc2F)cc1	748049038	KWMVAXYOGFOOHE-UHFFFAOYSA-N	302.349	3.508	50	20	DHGD	
O=C(C=C1CCCC1)NNc1ccc(Br)cc1F	748215446	XEALXRRUEDMBHB-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
O=C(/C=C\c1ccccc1F)NNc1ccc(OC(F)F)cc1	748643688	KHVCHCBHTKNQHO-YHYXMXQVSA-N	322.286	3.584	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)CCC=C(C)C)cc1	749157268	DHYRSWMEECGHEX-UHFFFAOYSA-N	302.418	3.866	50	20	DHGD	
CCC/C=C/C(=O)NNc1ccc(Br)cc1CC	753169913	MVXCPNYOZNGWOY-VOTSOKGWSA-N	311.223	3.811	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1cc(Cl)ccc1O	764669521	UGXIWEAWASEKGI-LBPRGKRZSA-N	308.809	3.978	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H](F)c1ccccc1	769605782	OOWBSWFSUOMINK-ZDUSSCGKSA-N	312.266	3.859	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc2c1ccn2C	771142444	URQKKXSCDCQWRW-UHFFFAOYSA-N	312.348	3.774	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(Br)cc1F	780657407	QRIXAVVTFYDEDU-DTWKUNHWSA-N	317.202	3.714	50	20	DHGD	
CCCCN(C1CCCCC1)S(=O)(=O)CCCCCl	780747695	HDCZUHZOTOBAKD-UHFFFAOYSA-N	309.903	3.770	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1OC	781099231	DYQPOOOQEILCNT-PDGQHHTCSA-N	320.392	3.795	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Nc2cccc([N+](=O)[O-])c2)c(C)c1	781948072	WZDGQFVUEBGDHM-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
COC1CCC(=NNC(=O)Nc2ccc(C)cc2Cl)CC1	783850179	QGWXKZXJQFXWDU-UHFFFAOYSA-N	309.797	3.715	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CO[C@@H](C)C1	784041201	ZIEWYRKOSQULEU-SMDDNHRTSA-N	318.442	3.748	50	20	DHGD	
CC1(C)Cc2cccc(NC(=O)NNc3ccc(F)cc3)c2O1	789392063	MJCNDPGKZIPBSE-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2c(s1)CCCCCC2	791220213	CGJUWBBVWJXBTM-UHFFFAOYSA-N	315.442	3.867	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@H]1CCCc2ccc(F)cc21	793335496	VCSSJUJPTXSFGY-INIZCTEOSA-N	317.339	3.669	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2ccccc2-c2ccccc2)n1	794564741	PGGWYKBMJPHIFB-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1ccccc1F	794937630	HMAGOPVVCZDOFJ-VQHVLOKHSA-N	303.239	3.599	50	20	DHGD	
CCSCC[C@H](C)NC(=O)NNc1c(C)cccc1CC	799596153	BQQALBZQZNQBPT-ZDUSSCGKSA-N	309.479	3.715	50	20	DHGD	
Cc1cc(C)nc(C(=O)NNc2ccc(Cl)cc2Cl)c1	801176830	UQWJGAACJCMYOF-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C=CCC[C@@H](C(=O)NNC(=O)Nc1ccccc1)c1ccccc1	801989446	TZPBJOPBOGLVJR-QGZVFWFLSA-N	323.396	3.589	50	20	DHGD	
Cc1ccccc1[C@@H](NC(=O)NNc1cccc(F)n1)C(C)C	805106311	AHGZCAZZLURRTC-INIZCTEOSA-N	316.380	3.553	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H](C)CCC(C)(C)C	805382117	NLHAIHQGUOFGMS-NSHDSACASA-N	307.394	3.809	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1ncc(Cl)n1C	808744919	FOIWAURWQCGOBA-UHFFFAOYSA-N	317.937	3.527	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(F)cc2F)c(C)c1	809704488	AWBOUAUXECLZSO-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1ccc(Cl)cc1	814688448	XXIIKVAQEHLBKQ-UHFFFAOYSA-N	324.808	3.871	50	20	DHGD	
O=C(Cc1cccnc1)NN=C1CCCC[C@@H]1C1=CCCCC1	814837625	DOOHZUUIOGUOAN-QGZVFWFLSA-N	311.429	3.787	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)CCCCC#N	841615713	FGMKODKLTCTBSX-UHFFFAOYSA-N	307.781	3.538	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)CC3CC3)s2)cc1C	848409488	AZZJZDMAVIYLLJ-UHFFFAOYSA-N	313.426	3.677	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(O[C@H]3CCOC3)cc2)o1	849248962	BFHKQZHPLQIETN-OBHPCNEJSA-N	323.348	3.546	50	20	DHGD	
CCC(=CC(=O)NNc1cc(C#N)ccc1Br)CC	855617584	XUKFPFDQRYBVEU-UHFFFAOYSA-N	322.206	3.510	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCNc3ccccc32)C[C@H]1Br	857062957	GTGFYBNTEYPRMF-RBSFLKMASA-N	309.251	3.697	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(F)c(Cl)c2)C1	863082317	HQZPWOAUGQPPJC-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)COc1ccc(F)cc1	916331346	LGAWXUTZDFIQNG-RJAGYNMQSA-N	318.392	3.999	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cc(C)n(C(C)(C)C)n1	928336686	YQXLWFRRTLRTKH-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(C(C)C)n2)cc1Cl	1318174637	XVLRRCKKGWNOED-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc2c(c1)CCC2	1319144229	ABYDLSACXHMRND-XPVJOUGZSA-N	308.425	3.777	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@@H]2C1	1319291367	HIJWBKXCEALVGW-UVSBIQGWSA-N	311.385	3.971	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Cn3cccc3)cc2)c1	1327436859	GFYGBBRLYXUXTE-UHFFFAOYSA-N	305.381	3.602	50	20	DHGD	
Cc1ccc(Cn2nccc2NC(=O)C2CCC(Cl)CC2)o1	1348817964	YIIFTDYCQFDGQP-UHFFFAOYSA-N	321.808	3.569	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCCCC(=O)O	1590451184	DWYWXBAZFVELKM-AWEZNQCLSA-N	315.530	3.728	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccnc2c(C(=O)O)cccc12	1605010523	LULINLDDECPRBX-UVTDQMKNSA-N	322.364	3.845	50	20	DHGD	
CCCC[C@H](C(=O)O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	1605235053	VVCWQLXGNWJCKE-ZIAGYGMSSA-N	315.530	3.726	50	20	DHGD	
Cc1cccc(NNC(=O)COc2ccc3ccccc3c2)c1	72514631	TUAXHWKMIVFSGA-UHFFFAOYSA-N	306.365	3.670	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2)C1	78686067	YWLPOZNTPPATJW-XLYVWGIVSA-N	308.356	3.764	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2ccnc3ccccc23)c1	106924254	RWPKIWPADOVISR-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
CSc1ccc(C(=O)NNc2cccc3c2CCCC3)o1	120126284	PHIPNTPAIKAFJV-UHFFFAOYSA-N	302.399	3.637	50	20	DHGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)Nc1nccs1	123400691	CSRJGOPLYRJXKF-DHZHZOJOSA-N	311.391	3.903	50	20	DHGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1ccnc2ccccc12	131132288	ACOXEOXPQAOIEM-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(-c3cccs3)n2)cc1	132720043	ILAGHNXHSHYYCG-UHFFFAOYSA-N	315.423	3.937	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)cc1F)c1ccc(F)cc1	133065756	CCUXGWVIGBRDKF-UHFFFAOYSA-N	308.303	3.525	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(F)c(C)cc2F)c(C)c1	136951924	ARWCFVLTSOCDTP-UHFFFAOYSA-N	304.340	3.955	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155143727	KPYFWIWSEHUVNZ-UHFFFAOYSA-N	322.412	3.551	50	20	DHGD	
C[C@@H]1CC(NC(=O)NNc2ccc(C(C)(C)C)cc2)C[C@@H](C)O1	181683671	XTCNDIACYRMDSZ-CHWSQXEVSA-N	319.449	3.566	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccccc1C(C)(C)C	182794989	PYUDUVAZJBFYAW-UHFFFAOYSA-N	305.422	3.573	50	20	DHGD	
CC/C=C(/C)C(=O)NNc1c(F)cc(F)cc1Br	255428327	OQVLZGQUBVVVLD-DAXSKMNVSA-N	319.149	3.527	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3nccnc3C3CCC3)oc12	286927820	IWOCTMLBDJLUKH-UHFFFAOYSA-N	322.368	3.556	50	20	DHGD	
O=C(CCC1CCCCC1)NNC(=O)c1cccc2ccccc12	303201835	OUSQBEAQZZCAFZ-UHFFFAOYSA-N	324.424	3.961	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2C3CCC2CC3)c1C	490563629	RZXDIZDFKJTFLW-WJDWOHSUSA-N	311.429	3.575	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)c(Cl)c2)cn1	490880030	UEBVSRISDZLLNM-WUXMJOGZSA-N	315.735	3.728	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)C3CCCC3)s2)cc1	734298384	DXUCDDBWUVWEFN-UHFFFAOYSA-N	313.426	3.759	50	20	DHGD	
CC(C)(C)CCCC(=O)NNC(=O)c1cccc2ccccc12	741581649	CCFBYYJNKVENFU-UHFFFAOYSA-N	312.413	3.817	50	20	DHGD	
C[C@@]1(C(=O)NNc2c(F)cccc2F)CCc2ccccc2C1	743454856	FKXFYLHDWHWWMQ-GOSISDBHSA-N	316.351	3.603	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2cccc3cccnc23)o1	747356100	MSTQHFFAJGMATR-BLLLJJGKSA-N	319.364	3.715	50	20	DHGD	
Cc1cc(C)cc(OCCC(=O)NNc2cc(C)ccc2F)c1	748785879	WBYGQDGHTKBMQV-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C1CCCC1	749348095	NGACKAMTDLOYCQ-VIFPVBQESA-N	311.769	3.518	50	20	DHGD	
CC(C)(C)C1=CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	752673149	IMFUNIRBXVJIMR-QINSGFPZSA-N	312.388	3.937	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3cc[nH]n3)s2)c1	762140929	XSVPLEUGUYGIDP-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
Cc1cccc(CC(=O)NNc2c(Cl)cccc2Cl)c1	763615827	JNFAYHQHCRFLQA-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
O=Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)cs1	763617550	NRMUCXDRTSGOEG-UHFFFAOYSA-N	315.181	3.624	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](C)C2CC2)c1C	764383517	MPZWLPCWLFOZCA-NGWPFTMJSA-N	300.402	3.764	50	20	DHGD	
CCC(CC)(CC)CNC(=O)NNc1ncnc2ccsc12	765834508	KHXWRYPXEDHPRA-UHFFFAOYSA-N	321.450	3.534	50	20	DHGD	
N#CSc1ccc(NC(=O)CC2(CC(=O)O)CCCC2)cc1	767099164	HEADMBWDLLLHKK-UHFFFAOYSA-N	318.398	3.623	50	20	DHGD	
Cc1cc(C(=O)NN(Cc2ccccc2)c2ccccc2)ccn1	789875153	NLRIYWBSIVDSHW-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccsc2Cl)cc1	790101093	UJTZDXFYMYPKHD-RIYZIHGNSA-N	316.813	3.933	50	20	DHGD	
COc1cc(NNC(=O)c2cc(C)ccc2C)ccc1Cl	790186159	GEHLPFAXHLOHAY-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
C=C(CBr)COC(=O)c1ccccc1SC	795358080	OMDAAUGDDBGLQH-UHFFFAOYSA-N	301.205	3.516	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1ccc(F)c(F)c1	799561038	TUEWTBDMTLVQDB-UHFFFAOYSA-N	319.355	3.662	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)c1ccccc1F	799866541	KHUSNQYWIFAQGO-ZDUSSCGKSA-N	311.360	3.664	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(Br)c1F)c1ccncn1	799892882	SRBIRHKPUNVKKX-YVMONPNESA-N	322.112	3.581	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1ccc(Cl)s1	801483021	DBYHBOOQMMCLGS-ZETCQYMHSA-N	311.628	3.518	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2ccc(F)cc2F)cc1	814997440	OOGQCJZBENVYCC-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1nc2ccc(OC)cc2cc1C	815986923	MJBCWDQWQPLKOG-UHFFFAOYSA-N	313.401	3.597	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C/c2ccc(Cl)cc2)cc1	817911949	WVXOHSSMJLDKRG-LFYBBSHMSA-N	316.788	3.895	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1[C@@H]1CCCOC1	828905709	REQPNQYBBMQYOU-HZPDHXFCSA-N	313.558	3.899	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ccccc1OC(F)(F)F	829949630	WQTDKTFEPMGAMJ-YGRLFVJLSA-N	316.323	3.855	50	20	DHGD	
CCC[C@](C)(N)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	831763030	BCEPWBPWOSAYQC-LBPRGKRZSA-N	324.639	3.607	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1cc(C(F)(F)F)ccn1	832968461	MBWVNEMTBSKHKQ-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
O=C(NN=C1CCC(OC2CCCC2)CC1)c1ccccc1	834915467	JQMVETVLIUFCOP-UHFFFAOYSA-N	300.402	3.674	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(CC#N)c1	837071991	ANMBKNXJZPRAFF-GFCCVEGCSA-N	309.207	3.501	50	20	DHGD	
CC(C)(C)OCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846377994	AIOUEDPCLOVABG-UHFFFAOYSA-N	324.730	3.617	50	20	DHGD	
C[C@@H](C(=O)N(C)CC(Cl)Cl)c1cn(C)c2ccccc12	848084001	DVXHJSNDXLERGV-SNVBAGLBSA-N	313.228	3.544	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2cc(F)ccc2C)cc1	855366674	IKROTJAOZUJLLF-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
C[C@H](NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1)C(F)(F)F	862312752	SXGUVDWPPRHIDD-NZVBXONLSA-N	322.330	3.515	50	20	DHGD	
CCCCSCC(=O)NNc1ccccc1C(F)(F)F	914466121	BNKFUNYVPACQPK-UHFFFAOYSA-N	306.353	3.682	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C[C@@H]3CC=CCC3)cc2C1	916353605	QZGKMBGIGHZMMQ-CHWSQXEVSA-N	302.443	3.945	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@H](C)c1nccs1	921954210	WPOZFBWBGIDRND-JTQLQIEISA-N	324.837	3.535	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(N)c(Cl)c1)c1ccccc1	1319544127	WWKXTJRDLRXLDZ-AWEZNQCLSA-N	315.804	3.566	50	20	DHGD	
C=CC[C@H](C(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccc1	1321509825	ZCTMJHJDCZRUAG-HNNXBMFYSA-N	324.428	3.577	50	20	DHGD	
Cc1cc(NNC(=O)N[C@@H](C)c2ncccc2C)ccc1Cl	1521280075	RSIXZDSUOXPPNO-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
CCCCCCCCNC(=O)NNc1cccc(C(=O)O)c1C	1605266298	DQPPDYCAFWAYHK-UHFFFAOYSA-N	321.421	3.680	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1F	1777465123	KDIIXWJREUNNCS-ZROIWOOFSA-N	309.296	3.622	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cnn(CC)c2)cc1	6854031	FXTATTCQHGTHIA-GZTJUZNOSA-N	322.412	3.791	50	20	DHGD	
Cc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cn1	32256282	BDHMEJILZXGWCY-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1	33368012	NQRUMLJYFGGMIF-RAXLEYEMSA-N	312.756	3.894	50	20	DHGD	
CC(C)Oc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1	58006556	AUWUBEIPWQAWLR-VBKFSLOCSA-N	322.412	3.856	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccc(Br)cc1	91983517	IYVJIVLJLLJRIE-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1	116442150	LSWQCFQBNTWCEX-CHWSQXEVSA-N	302.324	3.520	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1ccc(F)cc1F	131241691	PRRHPKKSWABHNH-HNNXBMFYSA-N	312.360	3.536	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ncccc1F	156824871	UOHVHVWTJXTSDX-LLVKDONJSA-N	314.451	3.551	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cc2cc(F)ccc2s1	176918440	MTRAROSMTIGZFM-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(F)c1	178809016	ZJCUNUFQMJZAIX-XFFZJAGNSA-N	313.275	3.677	50	20	DHGD	
CCOC[C@H](NC(=O)CCCC[C@@H]1CCSS1)C(C)C	190964960	RRQIAUZBUFBRGM-KGLIPLIRSA-N	319.536	3.878	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	255918383	ZRRUKNYYZXLRPM-WEVVVXLNSA-N	303.667	3.829	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc(Br)cc1	727848685	RLHRKZDOMYSYRN-NSHDSACASA-N	313.239	3.965	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)C	729321217	VKHFNCDQCKJOQS-SNVBAGLBSA-N	313.785	3.764	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc(F)cc1Cl	730544940	GETYHVJVYKUJJC-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(C)cc1O)c1ccccc1	731933053	UIOCNAODWSDLJA-INIZCTEOSA-N	310.397	3.735	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc(N2CCCCCC2)cc1	731936205	LUAZRRLIWROTPC-UHFFFAOYSA-N	313.445	3.707	50	20	DHGD	
CCC(=NNC(=O)c1cc(C)n(-c2ccccc2)c1C)C1CC1	741159860	FAQXWPVSVZSSEZ-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc(C)c(C)s2)ccc1-n1cncn1	742434178	FKSUZURJKLDSSH-VIZOYTHASA-N	321.409	3.713	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccn2C)C[C@H](c2ccccc2)C1	749858444	IYMPNIQTHOUZTK-GDBMZVCRSA-N	309.413	3.715	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(N2CCCCC2)CC1	750606506	GMXKIUVRPLZOKB-UFWORHAWSA-N	313.420	3.640	50	20	DHGD	
CC(C)[C@H](c1ccccc1)N(C)CCI	759359907	LDFVZGMEELOOJY-CYBMUJFWSA-N	317.214	3.751	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2ccc(Cl)cc2Cl)o1	760236235	UPSMKTDQQRNGST-UHFFFAOYSA-N	311.168	3.913	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2c(c1)COC2	763613133	ZWKIFFVXKPLSLN-UHFFFAOYSA-N	323.179	3.781	50	20	DHGD	
CC1(C)Cc2cc(NC(=O)NNc3ccc(F)cc3)ccc2O1	770065814	HMAZWQAMJWCOOJ-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)Cc1ccc(F)cc1	770359778	QIIZVYWICPPFMK-WDEREUQCSA-N	317.198	3.579	50	20	DHGD	
C[C@@]1(CNC(=O)NNc2ccccc2)CCCc2ccccc21	775455014	QGLMNYMGVVHASV-IBGZPJMESA-N	309.413	3.607	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1cccc(F)c1	777172055	KCYUKANWGDIKFF-UHFFFAOYSA-N	302.374	3.861	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cc(Cl)ccn2)o1	778447969	XHXSZEMBDMFQQL-MFKMUULPSA-N	319.792	3.527	50	20	DHGD	
CC(C)(C)c1ccc(NC(=O)NNc2ncncc2Cl)cc1	782007153	WMYZPOFEIQNTGH-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
CCC1=C(C(=O)NNc2cc(Cl)ccc2Cl)CCCO1	790804680	OWDVZVBQILPVPW-UHFFFAOYSA-N	315.200	3.911	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791726734	LDAIEAVIWNSEDL-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
CCC(=NNC(=O)CCc1ccccc1O)c1cccc(C)c1	794910346	WNLVGIBRFPAROU-UHFFFAOYSA-N	310.397	3.564	50	20	DHGD	
C=Cc1ccc(C(=O)NN(CCC)C(=O)OC(C)(C)C)cc1	804592533	BVRKLGYERQLZNN-UHFFFAOYSA-N	304.390	3.622	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1c[nH]c2ccc(Cl)cc12	808246805	KIFOPCRQXVCLAA-UHFFFAOYSA-N	319.619	3.626	50	20	DHGD	
COCC[C@H](NCCO[Si](C)(C)C(C)(C)C)c1ccco1	808746887	YXNULKPURUVANQ-AWEZNQCLSA-N	313.514	3.969	50	20	DHGD	
CCCOc1ccccc1NC(=O)NNc1cccc(Cl)n1	814500934	NEZBAEBPAPVIQY-UHFFFAOYSA-N	320.780	3.672	50	20	DHGD	
Cc1nc(C)c(C=NNC(=O)Nc2ccc(Cl)cc2)s1	815004584	KOGLIBJMDMVIHQ-UHFFFAOYSA-N	308.794	3.569	50	20	DHGD	
COc1ccc2oc(C)c(C(=O)N(C)CC(Cl)Cl)c2c1	816628891	OIFXNGJDBPIAFK-UHFFFAOYSA-N	316.184	3.626	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)o2)c2c(c1)C[C@@H](C)O2	840723307	VSPFFSLMLYWEQT-FKZYXTMDSA-N	323.348	3.710	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)C1SCCCS1	841409919	XUDSMQURFGYRRV-UHFFFAOYSA-N	323.270	3.633	50	20	DHGD	
CSCC1(CC(=O)NNc2cccc(Cl)c2Cl)CC1	846254073	IBVAXYPNBCBCOA-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
C[C@]1(CNC/C=C/c2ccc(F)cc2F)C[C@H]1Br	856810534	YWFLQRTXJJGSFG-GWSUEFFPSA-N	316.189	3.741	50	20	DHGD	
O=C(O)c1ccc(C(=O)NN=C2CCC(=C3CCC3)CC2)cc1	872411708	QNJUTHHEWNMZMM-UHFFFAOYSA-N	312.369	3.525	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)[C@@H]1CCCC(F)(F)C1	885107070	RSLDLYMDJFTFNA-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCCc2ccccc2)cc1	913262559	ACZRRTJFTVBMTF-JXAWBTAJSA-N	321.376	3.778	50	20	DHGD	
CC[C@H](C)N(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	914527585	IVSNLPZJTZLSED-XKYMITNMSA-N	315.461	3.925	50	20	DHGD	
Cc1ccc(SCCNC(=O)NNc2ccc(F)cc2)cc1	915929630	ZFFLZCRXCLUZNI-UHFFFAOYSA-N	319.405	3.553	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)ccc1C)C1CCCCC1	916297636	BPINSFBLSOQPRZ-UHFFFAOYSA-N	302.418	3.755	50	20	DHGD	
Cc1ccc(C=NNC(=O)CCSc2ccc(F)cc2)s1	916345875	GOFKBEHQGYRRLG-UHFFFAOYSA-N	322.430	3.828	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc2c3c(cccc13)CC2	917551528	VKMVEIQLVWFLAN-UHFFFAOYSA-N	320.314	3.731	50	20	DHGD	
C[C@@H](Sc1ccc(F)cc1)C(=O)N(C)CC(Cl)Cl	936001367	ZMVILJDKMBYBRD-MRVPVSSYSA-N	310.221	3.568	50	20	DHGD	
CC(=O)CCCCCCC(=O)OC[C@]1(C)C[C@H]1Br	1123142212	QFIUAGIIOUERTD-OCCSQVGLSA-N	319.239	3.633	50	20	DHGD	
Cc1sc(NC(=O)CCl)nc1-c1ccc2c(c1)CCC2	1324706552	MTUCJMPFMPOBMJ-UHFFFAOYSA-N	306.818	3.785	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC/C=C\C2CC2)c1C	1326370305	JKNWPJJCONQSSV-IEOUJPFFSA-N	311.429	3.504	50	20	DHGD	
C[C@@H](CBr)CN1Cc2ccccc2C2(CCC2)C1	1340976817	NSQQTJHQGVFBJG-ZDUSSCGKSA-N	308.263	3.955	50	20	DHGD	
O=C(N[C@H]1CCO[C@H](c2ccccc2)C1)C1CCC(Cl)CC1	1351764866	XERRYYPHMPGSJS-GQGLESIBSA-N	321.848	3.821	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1	7740726	IEPWJGVCBLKPMF-VGOFMYFVSA-N	310.309	3.676	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)s1)C(=O)N1CCCC1	32890687	UUJGRHMCJPZUNN-NTCAYCPXSA-N	308.406	3.944	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)c2ccccc2n1	46081305	YAEPRHXNHDGTEG-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1csc2ccccc12	73170885	RMORIYUAPRMFIL-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
CC/C(=C/C(=O)NNc1ccncc1Cl)c1ccc(C)cc1	135882133	DGDSCCBCFDPZLB-RAXLEYEMSA-N	315.804	3.980	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@@H](C)c2ccccc2F)c1	150846282	IIMZUURXGLWZGE-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@H]1c1c(F)cccc1F	158313352	WSPWFFKIHRVMCO-NXEZZACHSA-N	322.742	3.865	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(Br)c1	160641974	BDZJUCDBZYVUSC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccnc2Cl)c(C)c1	171350148	XKGDFDADQPDRAC-NTEUORMPSA-N	311.772	3.898	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2ccc(C#N)cc2)s1	187078540	JKWSBNHMHIKMNJ-UHFFFAOYSA-N	322.393	3.680	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2ccccc2Cl)cc1	254734135	BYDIYQNNGTZGJA-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccc(Cl)nc1	266562215	VPXHLNVQXRVTGS-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1ccc(C(C)(C)C)cc1	273226320	LXWBAISDCMLLNN-BJMVGYQFSA-N	309.413	3.844	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2c(F)cccc2Cl)CCO1	274512092	UWIVQDNXYLCGHB-MNOVXSKESA-N	314.788	3.518	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(Br)n1	280144301	ZJDUPMYXRVVPRL-NTMALXAHSA-N	307.191	3.756	50	20	DHGD	
CCN(CCNC(=O)CCCC[C@@H]1CCSS1)C(C)C	726624454	FBZUOMRKNCWPFY-CQSZACIVSA-N	318.552	3.547	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc2c(c1)CC(C)(C)O2	729149446	HTLVOBGAUWMRMR-LFIBNONCSA-N	312.413	3.613	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)c1ccccc1F	733215027	PUCGLGDOAVUZKJ-CQSZACIVSA-N	320.408	3.583	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2coc3cc(F)ccc23)c1	748416227	DKKPEHIWPQABMP-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1cccc2c1CCCC2	748588152	HZSFWZMTBALCCK-CYBMUJFWSA-N	306.475	3.930	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCCc2cc(O)ccc21	750934300	JTIIWKMBAFYFPL-UHFFFAOYSA-N	309.369	3.563	50	20	DHGD	
Cc1c(C(=O)NNc2cccnc2Cl)oc2ccc(F)cc12	754488018	NKWBYAGJMDPRCB-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)c1cc2ccccc2o1	755757396	FNGHDKOEPLMPCE-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
CC[C@@H](C)Sc1ccc(NC(=O)NNC(=O)C(C)C)c(C)c1	770340049	SFPNBWQXYLSASI-GFCCVEGCSA-N	323.462	3.694	50	20	DHGD	
C[C@@H](CBr)CN1C[C@@H]2CCC(=O)c3cccc1c32	770668036	IFFINAMNHBMZFB-QWRGUYRKSA-N	308.219	3.598	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1sc(CC(C)C)nc1C	771692930	NISXJADNJSHESR-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1cc(Cl)ccc1O	771883847	CTQGZMPJZYKKDP-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)ccc1C	772171647	LCFDQQZTJFOMFC-VCHYOVAHSA-N	320.392	3.535	50	20	DHGD	
N#CSCCCNC(=O)c1cc(Cl)c2ccccc2c1O	774296055	CNDDTAOZZDNMCY-UHFFFAOYSA-N	320.801	3.533	50	20	DHGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)NCCCSC#N)c1	774296691	IIFGKUBEATUBQO-AWEZNQCLSA-N	320.458	3.606	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1ccc(Cl)c(F)c1	780955124	HFKPOYMKSIRWTR-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(C)cc1O)c1ccsc1	785453662	QSRTVQJISVYHJQ-UHFFFAOYSA-N	302.399	3.696	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(C)c(F)c2)c1	786056129	MFUPVEQHXDZSLV-MFOYZWKCSA-N	308.356	3.666	50	20	DHGD	
O=C(NNc1ncncc1Cl)Nc1ccc(C2CCC2)cc1	786233400	OOWXKEHDAHSXGT-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC23CCCC3)o1	788713009	PGTUFALPLQQTMS-UHFFFAOYSA-N	317.433	3.561	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791062381	DTDMZKDKAUGKMS-NSHDSACASA-N	311.357	3.784	50	20	DHGD	
N#CC(C#N)=CNc1ccc(N2CCCCC2)c2ncccc12	794847646	JBLUOTPQKVPFTC-UHFFFAOYSA-N	303.369	3.568	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)o1	797405756	HAKYEEAMXFWCDG-YFHOEESVSA-N	316.382	3.884	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)oc1C	809147010	WIUFNDOYOPMASX-OVCLIPMQSA-N	323.348	3.781	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)cn1	812765713	RZXWYOKXURELOU-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CSCC(=NNC(=O)C(C)C)c1ccc(C(F)(F)F)cc1	814744807	VGOVZJJXYOELDW-UHFFFAOYSA-N	318.364	3.545	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1c(C)c2ccccc2n1C	814764631	ZDMWGWKMKYPPIN-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCCCC23CCCC3)n1	814779021	BOAVWRHLRFPRQR-UHFFFAOYSA-N	305.447	3.601	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc3c(F)cccc3c2)c1	815852740	HLCNOULHDHLDPU-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)OCc2ccccc2)cc1	837055811	MGUSWLBKLIXORF-HNNXBMFYSA-N	312.413	3.858	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)N(C)CC(Cl)Cl)o1	848080532	LLAGLLHISLAHSV-ONGXEEELSA-N	304.217	3.598	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])C1CCC2(CC1)CC2	854783259	ZKZKGLNPYIVXDW-UHFFFAOYSA-N	323.780	3.662	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cccc2c1OC(C)(C)C2	855370898	LOZSLEYDDFFMNH-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
C[C@]1(CNCc2ccc(C(F)F)cc2)C[C@@H]1Br	856808943	HAFXWEVUFGTRNF-WCQYABFASA-N	304.178	3.887	50	20	DHGD	
CC(C)(C)c1ncc2c(n1)CCN(/C(=C\C#N)c1ccccc1)C2	859443041	WRZYSFCQCXEIKZ-NVMNQCDNSA-N	318.424	3.697	50	20	DHGD	
CSCc1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)cc1	906535804	ZONXBPIKGRJRFY-YPMHNXCESA-N	314.248	3.662	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)Cn1c(C)nc2ccccc21	915943467	FEEAYHHPURGGLA-CYBMUJFWSA-N	314.433	3.663	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1ccc(C)c(C)c1	916326845	UGMXTEUZQFWDAC-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CCC(C)CC2)cc1	916340767	MXDGVMHLVRGVJH-KZUDCZAMSA-N	318.417	3.535	50	20	DHGD	
Cn1nccc1[C@@H]1CCCCN1C(=O)c1cccc(CCl)c1	1120646967	GYIXBNYFGKNCTR-INIZCTEOSA-N	317.820	3.526	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ccc(C(C)(C)C)nn3)oc12	1318693427	HLNOTYPPHFTBIP-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ncc(Cl)s2)cc1	1322405473	UBZZWDSQBGFJBR-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C[C@@H](C#N)C(C)C)cc1	1322872991	XNQDLXRPVBFRDH-QGZVFWFLSA-N	322.412	3.606	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1ccc(C(C)(C)C)nn1	1323001628	OANJNNZKIMNIAR-AWEZNQCLSA-N	318.465	3.824	50	20	DHGD	
CCc1cnc(CN(C)C(=O)c2cccc(CCl)c2)s1	1336389773	WGGXJDZMWJLLJZ-UHFFFAOYSA-N	308.834	3.717	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnn(C3CCCCC3)c2)c1	1340925762	ZOUWOZFHTGJSQW-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
O=C(NCCc1c[nH]c2ccc(F)cc12)C1CCC(Cl)CC1	1347375026	VZDFEYODFBBBRF-UHFFFAOYSA-N	322.811	3.763	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C[C@@H]1C[C@@H]1Cc1ccccc1	1553143048	BJVFHGHKDYKSEV-STQMWFEESA-N	300.229	3.517	50	20	DHGD	
Cc1c(NNC(=O)[C@@H](C)CCC(C)(C)C)cccc1C(=O)O	1600050658	GIUSDWKZDFZUTB-NSHDSACASA-N	306.406	3.599	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1F	1777477129	PZTJJNIYOWDFHT-GHXNOFRVSA-N	315.325	3.684	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c1	6455138	RRYUWWIRBZZTAP-UHFFFAOYSA-N	324.424	3.676	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)CCCC2CCCCC2)o1	60210841	GNFPZHVXSMIIDF-UHFFFAOYSA-N	318.421	3.863	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(F)cc2)cc1	79774533	QMTHDCVFYGKUMD-UHFFFAOYSA-N	302.349	3.760	50	20	DHGD	
COc1ccc(OC(C)C)c(NC(=O)NNc2ccccc2)c1	120513804	AYAJYGGJPUHPEV-UHFFFAOYSA-N	315.373	3.631	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Cl)cc1	121601028	DIVNRFZQVAIXNG-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
O=C(CC[C@H]1CCCCO1)NNc1ccc(Cl)cc1Cl	151910705	ZEDQPSKATNYMPZ-LLVKDONJSA-N	317.216	3.786	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1ccncc1Cl	154582533	BAHVZEISIGKZOX-NSHDSACASA-N	321.833	3.500	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCCc3sccc32)c1	158635471	VGWKCYAKCJIGPH-OAHLLOKOSA-N	300.427	3.928	50	20	DHGD	
CCOc1cc(/C=N\NC(=O)[C@@H](O)c2ccccc2)ccc1OC(=O)c1ccccc1Cl	160228888	VRYHLFUHDTYXOR-UHFFFAOYSA-N	452.894	4.142	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1coc2ccccc12	178486611	JWMDPVBIESENTN-UHFFFAOYSA-N	303.321	3.738	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cnc(-c2ccco2)s1	178847328	VROWGALFKCMSMK-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)Nc1cccc2ccccc12	186379958	DQVWKVIPBAHLAE-XNTDXEJSSA-N	317.323	3.920	50	20	DHGD	
O=C(/C=C/c1ccc(O)cc1)NNc1ccccc1C(F)(F)F	192838327	WSJCEDSKBXYCFP-JXMROGBWSA-N	322.286	3.568	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1csc(C(C)(C)C)n1	274566799	DNKQKECYAMDGFT-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
C=CC[C@H](C(=O)NNc1nccnc1C1CCC1)c1ccccc1	286875358	DUQFTKJSLJTTGW-INIZCTEOSA-N	322.412	3.547	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)CC(F)F)c1C	588442285	NCFSRBXKBTVYJB-DHDCSXOGSA-N	323.387	3.536	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc2c(cc1OC)C[C@@H](C)O2	726118291	LLTMRXYJHQNRJA-GGNJANJASA-N	313.397	3.931	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1ccc(F)cc1Cl	731316952	QTKFBWUXKGFGKS-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)cc1	734482481	BUTMERYNAWJCKM-SDKQKANHSA-N	320.392	3.935	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)CC1CCCC1	734548107	YPGVGCSEOAHLSD-QGZVFWFLSA-N	322.493	3.957	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2ncccc2C(F)(F)F)C1	740096896	HSDRHZHQGXUOHV-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
CCC(CC)(CNC(=O)/C(C#N)=C/c1ccc(F)cc1)SC	752477024	FJYFWQXOOVNISN-GXDHUFHOSA-N	320.433	3.771	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1cc(F)cc(F)c1	755901947	JDGQJWBCFCHRLZ-UHFFFAOYSA-N	314.291	3.865	50	20	DHGD	
Cc1c(NNC(=O)C(C)(C)C2CCCC2)cccc1[N+](=O)[O-]	757142867	TWISZTXXZJBACH-UHFFFAOYSA-N	305.378	3.563	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)[C@@H](Br)C(C)(C)C)CC2	767984096	VIQOOCJUPQPJOU-ZIAGYGMSSA-N	324.262	3.908	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc(C#N)c2)C[C@@H]1c1ccccc1	768484313	HRMCPYBQCCSUOA-QGZVFWFLSA-N	317.392	3.858	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cc(OC)cc(OC)c1	769568581	JHULRVSKCIGGFP-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1cncc2ccccc12	771697846	TXWMBPVWHKZTFZ-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)[C@]1(C)CCCO1	782170480	IAPXXBZQHANDBH-AWEZNQCLSA-N	315.200	3.668	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2F)c(F)c1Cl	789995881	BUXQRDGYRILVTO-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2cccc(C(F)F)c2)c1	790901722	NTMLSSKDTQHIJU-UHFFFAOYSA-N	304.340	3.927	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1)[C@H]1CCC(C)(C)C1	794275109	MUXNZIQCKPHDNB-DNXIFWLFSA-N	300.377	3.770	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cccc(Br)n2)n1	797404800	ITCOKZUYBSESCL-WEVVVXLNSA-N	306.188	3.673	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1OCC1CC1)c1ccncn1	797405816	IVXYESKZHRFYJC-AUWJEWJLSA-N	311.772	3.983	50	20	DHGD	
O=C(NN=CCCc1ccccc1)Nc1cc(F)cc(F)c1	815007152	QFVNHMQEJCSQDB-UHFFFAOYSA-N	303.312	3.705	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccccc1C(F)(F)F)C1CC1	822572782	SUJZBSNBSUIAQC-NSHDSACASA-N	301.312	3.520	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H]1CC[C@@H]2C[C@H]12	827185542	AVFGNICMIMQJEH-MDZLAQPJSA-N	323.234	3.637	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCCc3cccnc32)c(Cl)c1	836935682	SJWJZEOBINCJCV-ZDUSSCGKSA-N	315.804	3.607	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(C(C)C)cc2)cnn1CC(C)C	837053685	VNRLEBKXRDMTDG-UHFFFAOYSA-N	314.433	3.728	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNc1cnnc2ccccc12	844135391	WZLBBXNHCYXCJO-CQSZACIVSA-N	312.417	3.846	50	20	DHGD	
CCC[C@H](C=NNC(=O)OCC(F)(F)F)c1ccccc1	853429902	RPVTZMUTSBENBU-GFCCVEGCSA-N	302.296	3.845	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	855367808	SBLFXUCSCPZVRN-WDEREUQCSA-N	318.314	3.946	50	20	DHGD	
C[C@H](CNC[C@@]1(C)C[C@@H]1Br)c1ccc(F)cc1	856809263	LMBFJDNEVCDODW-DDTOSNHZSA-N	300.215	3.692	50	20	DHGD	
CCC(C)(C)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	857706921	WOXGRHORWGFKNW-YVLHZVERSA-N	315.461	3.973	50	20	DHGD	
C[C@H](c1cccc(O)c1)N(C)C[C@@H](CBr)C1CC1	859189826	XIPSBBUDQOCZGQ-BXUZGUMPSA-N	312.251	3.806	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)CC)c1C	865947190	PQSOQRLFHFAQMU-VVBXCHJUSA-N	301.434	3.727	50	20	DHGD	
Cc1nccnc1CN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	878707564	SVUXHPSODUCGGD-OAHLLOKOSA-N	321.541	3.771	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1cccc(Cl)c1	916281136	RNTFKHRUXRGFTN-UHFFFAOYSA-N	315.804	3.560	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cc(Cl)c1)c1ccccc1F	917534643	KUFVMFGJGZIIGC-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CC(C)CCCNC(=O)NNc1ccccc1C(F)(F)F	918211285	HYJDDAKTQXDCSV-UHFFFAOYSA-N	303.328	3.768	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(O)c(Cl)c1	1116615915	QWOBOOBFWDXQCP-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
Cc1ccc(C(C)(C)NC(=O)c2cccc(CCl)c2)cn1	1120720965	ATDQVPPYPDDZAL-UHFFFAOYSA-N	302.805	3.794	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CC(C1CC1)C1CC1	1319869054	BPUDGHFLALZEPD-UHFFFAOYSA-N	309.413	3.813	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)c1nc2cccc(C)c2[nH]1	1322975152	LUAKIYXTPWOZSX-JYRVWZFOSA-N	305.337	3.650	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2F)c1C	1777443739	RIBNWLFUOBQRJI-NTEUORMPSA-N	323.323	3.931	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2C)cc1	3617468	WSAXBNROBKAAKI-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
Cc1ccccc1C(=O)N/N=C1\C(O)=Nc2ccc(C(C)C)cc21	6960121	GZVJBMVQHPOEHX-UHFFFAOYSA-N	321.380	3.854	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2cccc(C#N)c2)c(C)s1	46601417	GQJMQSYJVUSZHT-LLVKDONJSA-N	314.414	3.624	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1F	71802176	XDTYKDXHANSGIF-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(C)c(OC(F)F)c(C)c1	72535395	IIPCRYQSSGLWPW-JYRVWZFOSA-N	307.296	3.541	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1(c2cccc(Cl)c2)CC1	85684023	ZPIMOICOWFEVHG-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)c1	104115445	PKLTVZZVKTVLPK-JKSUJKDBSA-N	300.789	3.895	50	20	DHGD	
CC[C@H](NNC(=O)c1ccc2ccccc2n1)c1ccccc1	112517632	WQQKUPZCYBOHOW-INIZCTEOSA-N	305.381	3.621	50	20	DHGD	
C[C@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1F	118509763	UEXYHSNCKMPFET-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)cc1)NNc1ccc(F)cc1F	122409213	ANCVFEQBSMSCLM-FPYGCLRLSA-N	308.715	3.775	50	20	DHGD	
CSCCCCC(=O)NNc1ccc(Cl)cc1Cl	151930264	KWXABDOTLCLJTO-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccccc2F)s1	153069204	ALZVWCNGICCNDA-CMDGGOBGSA-N	319.405	3.736	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1F	175478039	NBLJVCHMTRFGHJ-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(SC(F)F)cc1	180429249	FGYVFHUPIFOFFR-XFXZXTDPSA-N	310.369	3.825	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2c(C)cccc2F)cc1F	184190208	TWVYIYATEKVUCP-UHFFFAOYSA-N	321.327	3.821	50	20	DHGD	
CCOCc1cccc(NC(=O)NNc2c(C)cccc2F)c1	184262665	HRZVTPHCZCTSSA-UHFFFAOYSA-N	317.364	3.819	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc3c2OCCO3)c1	193691961	QNSZHLJMRHCMAK-GZTJUZNOSA-N	319.360	3.865	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccccc1OCc1cccnc1	207699578	LKAIGRNWYUDUAI-LICLKQGHSA-N	322.364	3.519	50	20	DHGD	
N#CC1=CCN(Cc2nc(-c3c(F)cccc3F)cs2)CC1	274855661	SFTLQKUWWMFWJE-UHFFFAOYSA-N	317.364	3.744	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(Cl)nc1	490727415	ZOFKTRCFMUDQJF-RIYZIHGNSA-N	311.772	3.898	50	20	DHGD	
Cc1c(NNC(=O)Nc2ccccc2Cl)cccc1[N+](=O)[O-]	728066949	ZHVIZZUOHLBMMG-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cc1cc(OC(=O)C(C)(C)c2ccc(F)cc2)ccc1[N+](=O)[O-]	728460335	OCOJNELGWPXCPT-UHFFFAOYSA-N	317.316	3.926	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)COc2ccc(F)cc2)CC1	729637019	TYBFRPYTKJCTRU-UHFFFAOYSA-N	306.381	3.523	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc(C(F)F)cc1	734249594	BXZUXYQLZDULKF-UHFFFAOYSA-N	319.336	3.991	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc2c1OC(C)(C)C2	737444397	RAMFCTXPYRQPHA-LFIBNONCSA-N	312.413	3.613	50	20	DHGD	
Cc1ncsc1C=NNC(=O)c1cc2c(s1)CCCCC2	743429245	HLRUSADHYHFVBM-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(-c2ccccc2)ns1	746112276	WNVVMUXYADWGTK-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)C[C@H](C)OCCC(=O)NNc1cccc2c1CCCC2	748588275	IJEULJJIYOJYAR-HNNXBMFYSA-N	318.461	3.850	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)CNc2ccc(OC)cc2)CC1	751517191	VRJNYSHCVSOJLU-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
Cn1cc(C(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)c2ccccc21	755609818	ZOHPBQSREKAPHQ-RDJZCZTQSA-N	317.392	3.698	50	20	DHGD	
O=C(NN=CC1CC1)Nc1ccc(Br)cc1Cl	755741939	BXVUPPNJLCCMRB-UHFFFAOYSA-N	316.586	3.620	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cccc(Cl)c2F)cc1	759649216	VUSDUSDYYRKXRN-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2csc(Cl)c2Cl)cc1	761804367	SZXPRNKEVUGEFS-UHFFFAOYSA-N	324.192	3.690	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	762844002	JLRNGJZQBRNLDL-QLWWJYNRSA-N	314.307	3.775	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1cccc(N(C)C)c1	764668079	WPMJOFRRLVVPMS-INIZCTEOSA-N	301.434	3.685	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1[N+](=O)[O-]	767714091	OIIMANBNZMYCTH-NTEUORMPSA-N	314.341	3.660	50	20	DHGD	
C[C@@H](CCC(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768504384	QACKPLDHRQFRLD-ZDUSSCGKSA-N	308.385	3.590	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cnc(C(C)(C)C)s1	770357700	GXFLCZLSKXHWQZ-MRVPVSSYSA-N	320.252	3.628	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(F)cccc2Cl)c(O)c1C	771672852	RFQUPFMZVIZRCC-UHFFFAOYSA-N	308.740	3.558	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)cc1	775714097	YBGYBQCFKHYHGW-UHFFFAOYSA-N	317.352	3.702	50	20	DHGD	
O=C(Cc1ccccc1F)NN=C1CCC[C@@H](C(F)(F)F)C1	783516105	HAUVEMLRLASXJB-LLVKDONJSA-N	316.298	3.593	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC23CCCC3)c2ccccc2n1	788700013	MMGNAKACOBFXOL-UHFFFAOYSA-N	307.397	3.983	50	20	DHGD	
CSSCCNC(=O)[C@H](C)CSc1ccccc1	791096079	WRFCYASSNXTDPU-LLVKDONJSA-N	301.502	3.542	50	20	DHGD	
CSSCCNC(=O)CCCCOc1cccc(C)c1	791099804	KXGHYHIQTAKCMX-UHFFFAOYSA-N	313.488	3.672	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](C)Sc1ccc(Cl)cc1	791226182	XKZJZLOWZHHRNN-NSHDSACASA-N	321.833	3.667	50	20	DHGD	
C=C(CBr)CN1Cc2ccccc2C(F)(F)C1	791482159	KGKSNCGQWVPLHX-UHFFFAOYSA-N	302.162	3.545	50	20	DHGD	
COCCC1(NC(=O)CCCC[C@H]2CCSS2)CCC1	794163625	FWYSEBZQULHBOY-ZDUSSCGKSA-N	317.520	3.776	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cc(Cl)ccc1O	797400491	CZQNBAZGPCKQBV-MNOVXSKESA-N	308.809	3.978	50	20	DHGD	
CC(C)Sc1ccccc1NC(=O)NNc1ncccc1F	806350028	NOEIOUSJGHQLAX-UHFFFAOYSA-N	320.393	3.870	50	20	DHGD	
COc1cc(NNC(=O)Nc2c(C)ccnc2C)ccc1Cl	806538252	BBCAOOXOGBSELD-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@]1(C)Cc1ccccc1	807232153	VCWSYLUIHOWYFH-MRXNPFEDSA-N	324.515	3.804	50	20	DHGD	
CC(C)c1cccc(O[C@H](C)C(=O)N(C)CC(Cl)Cl)c1	808246763	LHBOQXGXZFYOTL-LLVKDONJSA-N	318.244	3.839	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3cc(C)ccc3s2)cc1	810345322	FQBFPLSPUUTQKN-UHFFFAOYSA-N	312.394	3.975	50	20	DHGD	
C[C@@H]1CCCN(CCNCc2ccc(OCCCCl)cc2)C1	811473486	APXULRMEIGGHKA-MRXNPFEDSA-N	324.896	3.516	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]nc1-c1ccoc1	812768398	RHGYNKXZNKTYEP-UHFFFAOYSA-N	324.384	3.858	50	20	DHGD	
O=C(CCc1cncs1)NN(c1ccccc1)c1ccccc1	814425635	DJPXCDALVDNAJR-UHFFFAOYSA-N	323.421	3.945	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cccc2cc[nH]c12	814757014	JDKHSALNKZHTRV-UHFFFAOYSA-N	311.772	3.514	50	20	DHGD	
COCCC(C)=NNC(=O)Nc1ccc(Cl)cc1Cl	814995664	MWUPRPCILSGPPM-UHFFFAOYSA-N	304.177	3.527	50	20	DHGD	
CC(C)CCc1ccc(NC(=O)/C(C#N)=C/c2cnn(C)c2)cc1	822844773	UZPSAGIGQUGGEA-LICLKQGHSA-N	322.412	3.554	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(Br)cc2)CC=CCC1	827506047	JONXTATZDBHXAK-AWEZNQCLSA-N	309.207	3.639	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(OC2CCC2)CC1	842157759	IDILEFNMQQKMMS-QGMBQPNBSA-N	300.377	3.724	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1ncc(Cl)cn1	857357212	KONSRHVNFJVDNX-LBPRGKRZSA-N	310.829	3.570	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)C1CC2(CCC2)C1	859731816	OXVXBWUULMSRSB-LBPRGKRZSA-N	301.224	3.531	50	20	DHGD	
C[C@H](NNC(=O)c1sc2ccccc2c1Cl)C(F)(F)F	862304384	AXKQNRBIDXFLQP-LURJTMIESA-N	322.739	3.740	50	20	DHGD	
CC[C@@H](C)[C@@H](C)NC(=O)NNc1ccccc1C(F)(F)F	920049368	QUNGDLTUIGNBGN-NXEZZACHSA-N	303.328	3.766	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCCC(=O)OC(C)(C)C)c(C)c1	1118218551	LKOOKOWGMVSLLU-UHFFFAOYSA-N	320.433	3.567	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C#N)ccc2Cl)cc1Cl	1322742450	GPZOLGZQVWTFOS-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1cccc(F)c1C(=O)O	1595670471	QGPWPARJFQPHLO-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
CCCCC[C@H](C)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1605254869	GQVZIFZGHLJYOI-NSHDSACASA-N	323.345	3.805	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(Cl)ccn1	60775939	XUHMCOBCMPILJP-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(CCl)Nc1cc(Br)cc(C(F)(F)F)c1	83851933	RSOSKEHDJWLYBC-UHFFFAOYSA-N	316.504	3.645	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2Cc3ccccc3C2)cc1	106027429	UQUVWNKGSLFIKC-WQRHYEAKSA-N	318.376	3.535	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1[C@@H]2CCC[C@@H]12	126129174	OHMLWIABYLWMTF-HTQZYQBOSA-N	303.164	3.622	50	20	DHGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)c1cccs1	132787004	BFODPEWJOWQKCF-ZETCQYMHSA-N	316.213	3.697	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(F)c(F)cc2Cl)c1	150837809	IWUJPQIYUFBYLP-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)ccc1Cl	150942076	CTTQWAUWGCIKCY-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152447594	GYHHJWCQRZOHTB-UHFFFAOYSA-N	311.410	3.568	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cccc(OC2CCCC2)c1	154403218	QCWCLKCSVKNZDT-UHFFFAOYSA-N	314.360	3.904	50	20	DHGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)Nc1ccncc1	160747028	IWQXTMLKROFWKL-NTMALXAHSA-N	318.163	3.934	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc2ccccc2n1	181113246	QSUIZYVYRQPXCC-UHFFFAOYSA-N	323.400	3.549	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2c(C)cccc2F)c1	184294924	OQXOQTAJNDEUBT-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)CCCC[C@H]2CCSS2)C[C@@H](C)O1	245561297	CBUYWLOKCKWVSW-CRWXNKLISA-N	317.520	3.773	50	20	DHGD	
C[C@H](CBr)CN(Cc1ccc(C#N)cc1)C1CC1	274492137	PIBJEXLUZYSCSJ-GFCCVEGCSA-N	307.235	3.554	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(CC(C)C)c2)cc1C	289925878	MVMWJOPAYACPSS-QGMBQPNBSA-N	307.397	3.946	50	20	DHGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C/c2ccc(F)cc2)s1	490843408	NWIMTZNEXAUUAP-NTEUORMPSA-N	314.385	3.761	50	20	DHGD	
CCOC(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	495602929	ODDKFDLEVRHZAR-UHFFFAOYSA-N	309.778	3.544	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(c2ccncn2)CC1	616620400	ZQOKVYYXWVXMSC-UHFFFAOYSA-N	321.541	3.678	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)Cc2ccccc2F)s1	731316562	BJEWZKDDUQETGK-UHFFFAOYSA-N	304.390	3.533	50	20	DHGD	
O=C(NNc1ccc(F)cn1)Nc1ccc(Cl)c(Cl)c1	731362226	XJAWKMZFSWUDTD-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)c1ccc(C#N)cc1	731926394	ALOVULQLVHGGNC-UHFFFAOYSA-N	305.381	3.605	50	20	DHGD	
CCc1ccc(C=NNC(=O)Nc2ccc(N(C)C)cc2)s1	741765151	QMMVXMUIOWRKMG-UHFFFAOYSA-N	316.430	3.532	50	20	DHGD	
CCc1ccc(CC(=O)NNc2ccc(Cl)c(F)c2)cc1	746700272	IEZNTTMJYIVUNJ-UHFFFAOYSA-N	306.768	3.727	50	20	DHGD	
C[C@@]12CC3CC(C(=O)NNc4cccc(C#N)c4)(C1)C[C@](C)(C3)C2	748044451	OJDMLQPMKRPUBA-LGMBCPCJSA-N	323.440	3.998	50	20	DHGD	
CC(C)c1ccc(OCCC(=O)NNc2cccc(F)c2)cc1	748091285	NBJGYBRITXEDHG-UHFFFAOYSA-N	316.376	3.861	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc3ccccc3c2C)c1	748414877	XXYVXDLRDOUGMP-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)CCC=C(C)C)o1	749157652	HKZLOCXETBRFOV-UHFFFAOYSA-N	319.449	3.974	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)c2ccc(C)o2)cc1	752174107	OFZQZHLXIJLDRJ-UHFFFAOYSA-N	300.358	3.531	50	20	DHGD	
Cc1ccc(-c2cccc(C=NNC(=O)c3ccncc3)c2)cc1	757562267	XVRVYWVNRKILLP-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2nc(Cl)sc2C)c(C)c1	762893056	PBFNCXQJXFBTCS-UHFFFAOYSA-N	309.822	3.787	50	20	DHGD	
Cc1ccccc1CNC(=O)NNc1c(F)cccc1Cl	771289681	ZQYYLAZONCQDTJ-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNC(=O)c1ccccc1C	780186284	GKDVOAYSSDKSKK-GOSISDBHSA-N	304.434	3.753	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	781943232	BIZBIVPBXMKEIZ-VIFPVBQESA-N	311.769	3.518	50	20	DHGD	
C=C(CBr)CN1CC[C@@H](Cc2ccc(F)cc2)C1	791461002	PMXAQEQIXHOFEO-AWEZNQCLSA-N	312.226	3.641	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NNc1cc(Cl)cc(Cl)c1	791733875	NETDLDYBUZDPGA-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N(CC1CC1)C1CCC1	794390199	GBAWLAXIILPRRU-GFCCVEGCSA-N	302.256	3.587	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)C1CCOCC1	794952917	ISSJUGPDIRUSKC-GHXNOFRVSA-N	310.180	3.896	50	20	DHGD	
C=C(CBr)COC(=O)c1ccccc1SCC	795406850	WGLZZKLGZJAUTD-UHFFFAOYSA-N	315.232	3.907	50	20	DHGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2ccccc2O)C1	799103722	FHAHKZLOWFASCE-AWEZNQCLSA-N	323.396	3.539	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1coc(C(C)C)n1)c1ccccc1	799480299	JEJPSKQWYJETIU-HNNXBMFYSA-N	313.401	3.832	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCO[C@H](C)CC(C)C	799760725	OTVWMYMDWUDPRE-OAHLLOKOSA-N	306.450	3.842	50	20	DHGD	
COc1cc(C(=O)NN=C2CCC23CCC3)ccc1OC(C)C	799872743	WRCIYRPGUGFTHO-UHFFFAOYSA-N	316.401	3.532	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)Nc1ccccc1	801988917	WLYMAFFNUOANTP-KRWDZBQOSA-N	305.422	3.836	50	20	DHGD	
C/C=C(/CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802086982	MCVOZEIBFINCFH-BAQGIRSFSA-N	316.188	3.502	50	20	DHGD	
O=C(NNc1c(F)cccc1F)NC(C1CCC1)C1CCC1	807543796	SEMPIYHLOXGSEG-UHFFFAOYSA-N	309.360	3.560	50	20	DHGD	
CCN(Cc1ccc(OCCCCl)cc1)C[C@H]1CCOC1	811456438	ORJXUEGOIGYQJS-MRXNPFEDSA-N	311.853	3.553	50	20	DHGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)C1CCOCC1	811691302	NIZQRSLERRFYEL-YHYXMXQVSA-N	315.316	3.670	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(-c2cccc(Cl)c2)no1	816605021	HWUNVEZPTSWOPV-UHFFFAOYSA-N	319.575	3.529	50	20	DHGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNc1cc(C(F)(F)F)ccc1F	827303717	MPTCCYFDCRHRCL-YWVKMMECSA-N	316.298	3.724	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2ncccc2F)cc1	831810158	IFNUAQHKOJUCAL-UHFFFAOYSA-N	317.364	3.545	50	20	DHGD	
CC(C)COc1ccccc1/C=C(/C#N)C(=O)C1CCOCC1	834437808	BNVWYGCDYCXRCL-BOPFTXTBSA-N	313.397	3.624	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2cccc(Br)c2)CC1	836778309	DGTVEFGVWATKTI-JTQLQIEISA-N	309.207	3.639	50	20	DHGD	
CSSCCNc1ncc(F)c(-c2ccsc2)n1	842042870	UJYANTJBPQIJFB-UHFFFAOYSA-N	301.437	3.767	50	20	DHGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)C2CCCCC2)cc1F	844275652	YZKGEQUAEMVROO-RIYZIHGNSA-N	317.360	3.899	50	20	DHGD	
CC[C@H](CNC(=O)NNc1ccc(C)c(F)c1)CC(F)(F)F	854171855	GIFRLWLTSQFSQR-JTQLQIEISA-N	321.318	3.739	50	20	DHGD	
C=C(CBr)COC(=O)/C=C(/C)c1cccs1	856982215	CSDWTMPLPIJJCI-POHAHGRESA-N	301.205	3.646	50	20	DHGD	
CC(C)(C)C1CCC(CC(=O)NNc2ncccc2F)CC1	857503903	RMAUXURGBFJROG-UHFFFAOYSA-N	307.413	3.906	50	20	DHGD	
O=C(COc1cccc(Cl)c1)NNc1ccccc1Cl	912646648	KMOMFCFVDOCFGB-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C/C=C/c2ccccc2)c1C	916336711	NFYCVDZRXFKYLS-GKZZYHRTSA-N	322.408	3.886	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3cccc(F)c3)cc2C1	916353498	OHWBEFUCXPFXFF-NSHDSACASA-N	316.401	3.776	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1F	1321650949	QUGGFPIVVQQBGW-MDWZMJQESA-N	304.328	3.724	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)c1ccc2c(c1)oc1ccccc12	1322039308	HMZSJXJVUFCBGR-UHFFFAOYSA-N	322.364	3.537	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)c2ccc(F)c(F)c2)cc1	1327898891	AOLLEEFPZYPATE-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
CC(C)(C)[C@H]1C[C@H](NC(=O)c2cccc(CCl)c2)CCO1	1335836660	GSTOJTOKIDGUOE-HUUCEWRRSA-N	309.837	3.749	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H]1[C@@H](O)c1ccccc1	1520374821	VPWBPLCNKJRNRN-GQGLESIBSA-N	321.848	3.509	50	20	DHGD	
O=C(CC[C@H]1CCCO1)NN=C(c1ccccc1)c1ccccc1	71878320	GDYFRPADJAGXRS-GOSISDBHSA-N	322.408	3.514	50	20	DHGD	
Clc1ccccc1[C@H](CBr)O[C@@H]1CCOC1	82454894	JFXHKZUWJHARNK-SKDRFNHKSA-N	305.599	3.582	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2ccc(OC(F)F)cc2)cc1	127995618	PKYFLSIHDZOHKN-UHFFFAOYSA-N	320.339	3.672	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)Nc1ccc(F)c(F)c1	152935612	XRJQWMCDSGTDKP-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc2c1CCC2	153643946	FVHVXLHCTDZXRY-UHFFFAOYSA-N	320.314	3.951	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1	588580900	UGQCNTOBQLJVNQ-GDNBJRDFSA-N	314.348	3.652	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1C	727975516	ZSJZKALCYUSGJG-GDNBJRDFSA-N	319.368	3.634	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)c(OC)c1	735619359	LDPSIPNTYDDRKV-ZROIWOOFSA-N	319.364	3.953	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H](C)C1	747743776	GIUINEYJQVVNTR-STQMWFEESA-N	310.401	3.619	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cc3cc(F)ccc3s2)c1	748046592	WZOUGJJMWAHWPS-UHFFFAOYSA-N	311.341	3.669	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1c(F)cccc1F	749536730	UFVTZEFZFKAXJO-OAHLLOKOSA-N	320.339	3.574	50	20	DHGD	
COc1ccc(CCC(C)=NNC(=O)CCc2ccccc2)cc1	749747916	SEHMTYLFNYKPFS-UHFFFAOYSA-N	324.424	3.753	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=CC(C)(C)CCC#N)c1C	755551313	KQALQSBQESBQSG-OAHLLOKOSA-N	315.417	3.503	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccc(Br)cc2)C1	759196346	LJRUHYDDTJSKEC-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)C(=O)c1ccccc1F	760212050	TUQDBMYCAPUBIU-RVDMUPIBSA-N	317.323	3.801	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761386949	RVVUZFRQEPEWEF-RMKNXTFCSA-N	301.148	3.566	50	20	DHGD	
C[C@@H]1CCc2ccccc2[C@H]1NC(=O)NNc1cccc(C#N)c1	763091254	PJKKSEGUKVLMJS-ACJLOTCBSA-N	320.396	3.508	50	20	DHGD	
C=CCCC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(OCC)cc1	776015556	IZVPBFBMWBXZDD-OVGFGYAMSA-N	312.413	3.853	50	20	DHGD	
CSc1ccc(C)c(NC(=O)NNc2ncccc2Cl)c1	776029036	UQNCLDQXSTXWRD-UHFFFAOYSA-N	322.821	3.914	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H](C)C1CCCCC1	777773173	JALWWEUZENYESJ-CYBMUJFWSA-N	318.417	3.523	50	20	DHGD	
CSSCCNC(=O)N(C)C/C(C)=C\c1ccccc1	790879435	DOIHEPOMTLHIMQ-QBFSEMIESA-N	310.488	3.743	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(OC(F)F)cc1	793710774	QMISDQGWIINRBI-FZMZJTMJSA-N	312.360	3.948	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccnc(Br)c1	793834695	MVBDXALSKWLMKQ-CYBMUJFWSA-N	314.227	3.504	50	20	DHGD	
CC/C(=C\C(=O)NNC(=O)Nc1ccccc1)c1ccc(C)cc1	801986348	IVPZFZXGCQUYEG-FYWRMAATSA-N	323.396	3.641	50	20	DHGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNc2ccnc(F)c2)c1	803090044	QUIFQTSRSKQXQW-ZDUSSCGKSA-N	315.392	3.666	50	20	DHGD	
CCN(C(=O)NCCSSC)[C@H](C)c1ccc(F)cc1	807232653	HRVXBHYBHQCSRO-LLVKDONJSA-N	316.467	3.929	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC[C@H](C#N)C3)cc2C1	814759523	GAVNGJGFAGSLSG-NEPJUHHUSA-N	315.442	3.672	50	20	DHGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)c1ccnc(O)c1	816639570	XAOXEQQPKVMQHS-CYBMUJFWSA-N	320.820	3.646	50	20	DHGD	
CN(NC(=O)C1(Cc2cccc(Cl)c2)CCCC1)C1CC1	819648555	IMOICOFICYJFDS-UHFFFAOYSA-N	306.837	3.568	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747065	JSHZTGAAEONZEF-MOIHINDBSA-N	300.189	3.578	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCCC23CCCCC3)c(O)c1	834940668	BZKKOWKZSUBYAA-UHFFFAOYSA-N	300.402	3.921	50	20	DHGD	
C[C@H](C(=O)NNc1cc(F)ccc1Br)C(C)(C)C	839882175	WTSXYKWQEFFVQY-MRVPVSSYSA-N	317.202	3.714	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)c1cc2ccccc2cc1O	841603332	BJAABOMKOQBWTQ-UHFFFAOYSA-N	309.369	3.735	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@H]1CC[C@H](C2CCC2)CC1	857125688	LCVRBOIVZXAWOZ-SHTZXODSSA-N	324.428	3.679	50	20	DHGD	
Cc1cnc(C(C)(C)NC[C@@H](CBr)C2CC2)s1	859249264	WWGGHKWIAQGXAJ-LLVKDONJSA-N	317.296	3.697	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	865220783	PZSBXMFNDMSJMV-WUFUFFIZSA-N	307.296	3.575	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(N(C)c2ccccc2)cc1	915973597	BIERBSWWCIWWFT-OAHLLOKOSA-N	309.413	3.951	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cccc(Br)c1	916362127	QFSNSUZDSYVNQE-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(F)cc1F	1115813077	MPGRGLFKSXSPLE-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1ccccc1Cl	1325277316	GCSLIGVRINNDFG-UHFFFAOYSA-N	304.752	3.828	50	20	DHGD	
CN(c1ccccc1)c1ccc(C=C(C#N)C#N)cc1[N+](=O)[O-]	7155027	JCTSMKBYBGZXTD-UHFFFAOYSA-N	304.309	3.793	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccsc2)cc1Cl	13137503	LMQMBUVPFXVFAO-IZZDOVSWSA-N	318.785	3.956	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1c(Cl)cccc1C(F)(F)F	18991500	QGFLQDFZDXFJOF-BQYQJAHWSA-N	318.682	3.741	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)NCc1ccco1	33939646	FBCPARUUAHUBGL-PTNGSMBKSA-N	318.332	3.763	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)o1	130366762	PQOKEENNTAGVLG-WQLSENKSSA-N	301.729	3.869	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1Cl	132738906	ZBPUMQYVSUUBER-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
C[C@H](CBr)CN(C)Cc1nc(-c2ccccc2)c[nH]1	134023518	YALXWKUKNDXXKT-GFCCVEGCSA-N	322.250	3.540	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2cc(C)ccc2F)cc1	150819069	YJIDKRHJVMHHAY-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1cccc2[nH]cc(CC(=O)NNc3ccccc3Cl)c12	158440552	UUZSSVDFEYYCRD-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2cccc(C(F)F)c2)cc1	159092626	NHXUYRXFRWTUBM-UHFFFAOYSA-N	302.284	3.644	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(C#N)cs2)c(C)c1	176838799	QSBDHOIBELOVHC-AUWJEWJLSA-N	307.378	3.782	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)ccc1O	180570105	QSZATAOVOITBMN-RIYZIHGNSA-N	310.309	3.682	50	20	DHGD	
CCOc1ccccc1C(=O)NNc1nc2ccccc2cc1C	181301696	TVGGKQAKDTYOCD-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCc2ccc(O)cc2)cc1	184140758	ZKWYLZLWXDLURR-UHFFFAOYSA-N	312.413	3.766	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1c(C)cccc1F	184310473	IBGJUFOCRBEXRK-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	255685828	XUELKBODYQHJGS-WZUFQYTHSA-N	314.282	3.524	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCC[C@H](C(F)(F)F)C1	266565400	WMJLARGFIWOBQQ-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cc(Cl)ccn1	293597175	XNMBISUPJVJYNG-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
CCCc1ccc(C(=O)/C=C/c2cnn(CCCl)c2)cc1	728700255	MONUIDVBIPVVHT-RMKNXTFCSA-N	302.805	3.971	50	20	DHGD	
O=C(NCc1ccc2ccccc2c1)NNc1ccc(F)cc1	729617233	JOVBEANPJCHLJH-UHFFFAOYSA-N	309.344	3.805	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2ccc3ccccc3n2)s1	731150878	JFMFGUMIWZAQKP-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)CC(C)(C)C	731174666	FEPGVLYVXOBMND-CQSZACIVSA-N	318.461	3.574	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2c(F)cccc2F)c(O)c1	735698150	NXWULYDWAJIQEQ-UHFFFAOYSA-N	306.312	3.551	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1ccc(C(C)C)cc1	747051563	SPHIJIBDSOSLPY-UHFFFAOYSA-N	305.381	3.836	50	20	DHGD	
N#Cc1cc(C(=O)NNc2ccc3ccccc3n2)ccc1Cl	758533698	FGOCSINWKZNSCW-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1ccc2c(c1)CCCC2	771698094	YDBCAFJYBLYMGP-UHFFFAOYSA-N	312.388	3.699	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccccc2)C[C@@H]1Oc1ccccc1	788928671	MNYXNGSMCHNZHP-KRWDZBQOSA-N	308.381	3.650	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794942916	SHAATZWFFVBZFR-UROBUVALSA-N	311.360	3.924	50	20	DHGD	
CO[C@H](COC(=O)/C(C#N)=C\c1ccc(C)cc1)c1ccccc1	801812349	FDZICVKQDPHKMO-XLXASQRYSA-N	321.376	3.833	50	20	DHGD	
CC(C)c1[nH]ccc1C(=O)NNc1ncc(Cl)cc1Cl	803119070	OFLLECCLKRHHJU-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
CC(C)(C)c1ccc(NC(=O)NNc2ncccc2F)cc1	806097229	OCKWDVFNMXFJHY-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
Cc1c(C(=O)N(C)CC(Cl)Cl)cccc1-c1ccccn1	808248750	RKVUCDGYUFLATD-UHFFFAOYSA-N	323.223	3.933	50	20	DHGD	
Cc1ccc2sc(C(=O)NNc3nc4ccccc4[nH]3)cc2c1	810792455	BCXWFCLHWYAECC-UHFFFAOYSA-N	322.393	3.843	50	20	DHGD	
CN(CCCN1CCCC1)Cc1ccc(OCCCCl)cc1	811500690	KXCZUHFHUQIHAK-UHFFFAOYSA-N	324.896	3.612	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cn1	812244561	DWUAZNWZOVKDLY-YHYXMXQVSA-N	303.680	3.846	50	20	DHGD	
N#C/C(=C/c1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cn1	812245972	ZSTLWMOGNMXVLJ-WDZFZDKYSA-N	317.251	3.655	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(Cl)sc1Cl	816629549	RDKKZXLHQATQBS-UHFFFAOYSA-N	307.029	3.931	50	20	DHGD	
COC1(CCNC(=O)CCCC[C@H]2CCSS2)CCC1	818007298	JAGBRZGSHNUBAX-ZDUSSCGKSA-N	317.520	3.776	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccnc(F)c1)c1ccc(Cl)cc1	831919401	YQWYHTJPGYDAKK-AWEZNQCLSA-N	321.783	3.901	50	20	DHGD	
CCCn1c(SC/C=C/C#N)nc2cc(Cl)ccc2c1=O	839974504	UJACXBMEPRNXKU-ONEGZZNKSA-N	319.817	3.632	50	20	DHGD	
C[C@@H](COCC1CC1)NC(=O)CCCC[C@H]1CCSS1	846533060	XFIAEJZAILUXMR-JSGCOSHPSA-N	317.520	3.632	50	20	DHGD	
Cc1cc2occ(C(=O)N(C)CC(Cl)Cl)c2cc1C	848084268	KLMCQFGPZYBZQX-UHFFFAOYSA-N	300.185	3.925	50	20	DHGD	
Cc1cc(C)nc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897239	AYCIVAZLXHKXFG-CQSZACIVSA-N	307.514	3.694	50	20	DHGD	
Cc1ncc([C@H](C)NC(=O)NNc2c(C)cccc2Cl)s1	876014432	JPAJMICSJOJFDF-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	901481671	UEUQLBLWUZDREN-KSSSLANASA-N	303.333	3.525	50	20	DHGD	
Cc1ccn(C)c1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583046	SSZVCIIDWOOJKG-AWEZNQCLSA-N	322.525	3.570	50	20	DHGD	
CC[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccc(C)cc1	915902810	JORRNJUPIUCHNQ-KRWDZBQOSA-N	308.385	3.644	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1cc(C)n(C(C)C)n1	931778312	HRHNDBFBEVPYEX-UHFFFAOYSA-N	321.812	3.883	50	20	DHGD	
O=C(CCl)N[C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21	1116437724	OGKWNOSNSVRLSB-LLVKDONJSA-N	324.808	3.682	50	20	DHGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccc(F)cc1F	1123657843	UBKFHEZRMGAPCT-KPPDAEKUSA-N	301.764	3.940	50	20	DHGD	
C[C@H](OC1CCCCC1)C(=O)NNc1cc(F)cc(Cl)c1	1330927562	RAUCKNDCYAOLCD-JTQLQIEISA-N	314.788	3.660	50	20	DHGD	
O=C(Nc1cnn([C@@H]2CCCCO2)c1)c1cccc(CCl)c1	1347191134	PYDAYYSOLVCZTR-HNNXBMFYSA-N	319.792	3.573	50	20	DHGD	
C[C@@H]([C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)C(C)(C)C	1589552483	GAMMPTKFHYWTGJ-ZJUUUORDSA-N	323.345	3.517	50	20	DHGD	
C[C@@H]1Cc2cc(/C=C(/C#N)c3nc4ccccc4n3C)ccc2O1	6908511	UJPPDNPPGYFFRV-YYTPVVGHSA-N	315.376	3.961	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)cc1C	125735067	RWVOFIOZTZDCKN-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2nc3ccccc3s2)c1	128376986	QMFFRNIUGLEZBE-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H](C)c1ccccc1	156233852	GVAPRLFCLQATOS-LBPRGKRZSA-N	315.325	3.703	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc(OC(F)(F)F)c2)c1	158737372	LQEJWCWIADHXNL-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)c1	174052510	XLWZOGNCKWCFAS-XNTDXEJSSA-N	310.328	3.518	50	20	DHGD	
CCOc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1	181288156	YCGXNHXTTGKHMO-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@H](O)C2)cc1	283996298	GLGQRIWTLUIKCG-KRWDZBQOSA-N	321.537	3.775	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(c3ccccc3)CCC2)cc1	293795834	BGKMDCOKAVBHEK-UHFFFAOYSA-N	310.397	3.650	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)c2c(c1)C[C@H](C)O2	728438384	VZTBNTJBHBWMAV-YRUBURHZSA-N	319.360	3.808	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C=C\c1cnn(CCCl)c1	728699213	RWLCDEZBSUEFNK-SREVYHEPSA-N	313.788	3.808	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)c1cccc(C#N)c1	728781105	LOJDFZFTPXTHCS-UHFFFAOYSA-N	305.381	3.605	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccc(SCC(F)F)cc1	741755640	HNHAATDJBCVRKG-UHFFFAOYSA-N	300.374	3.540	50	20	DHGD	
Cn1cc(C(=O)NN=C/C=C\c2ccccc2)c2ccccc21	744780813	IUIKRHPDGGSGID-URQPXYJTSA-N	303.365	3.607	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1C[C@@H]1C1CCCCC1	745858249	PMMRCJUIAJGSNF-BXUZGUMPSA-N	309.360	3.560	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)c(C)s1	746701073	HLHDGMUUKBDKIO-UHFFFAOYSA-N	300.305	3.539	50	20	DHGD	
CC(C)n1nccc1C(=O)NNc1ccc(Cl)cc1Cl	748008328	UNRCJISESVKIDT-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CC[C@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)c1ccccc1	748673398	JZNJQKSKRZEJFQ-AWEZNQCLSA-N	313.357	3.540	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1sccc1C1CC1	748754249	LPMCTFWLBQLZFG-UHFFFAOYSA-N	309.394	3.931	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@H](C)CC(C)(C)C	751164772	HNSROPOYKVJUDN-NSHDSACASA-N	309.362	3.971	50	20	DHGD	
O=C(NN=Cc1cccc2[nH]ccc12)C12CC3CC(CC(C3)C1)C2	755519410	VDVYGHQIAVNBJM-UHFFFAOYSA-N	321.424	3.834	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cnc(C(C)C)s2)cc1	758366845	UZPKMTQWXOIWKB-UHFFFAOYSA-N	301.415	3.593	50	20	DHGD	
COCCN(C[C@H](C)CBr)[C@@H](C)c1ccccc1	770650769	WELWLCOMNREODG-KGLIPLIRSA-N	314.267	3.727	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1ccccc1F	776190354	SNGUBMNWWFVMGL-BENRWUELSA-N	311.312	3.633	50	20	DHGD	
CSCc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1	777464874	KJHQQFCHQPTFKV-UHFFFAOYSA-N	323.421	3.855	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1ccc(OC)cc1)c1ccccc1	779377728	SMYAFQFXWMJJEC-SFHVURJKSA-N	310.397	3.888	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3c(c2)CCO3)cc1	780802499	NCFUXWDUWBSKBC-UHFFFAOYSA-N	310.397	3.676	50	20	DHGD	
CCC(C)(C)c1ccc(NC(=O)NNC(=O)CC(C)C)cc1	790603134	JRNCMUOENXQTBI-UHFFFAOYSA-N	305.422	3.573	50	20	DHGD	
C=C(CBr)CN1CCC(c2ccsc2)CC1	791494205	PHIXPAOODCSADL-UHFFFAOYSA-N	300.265	3.879	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)C(C)=C2CCCC2)cc1C	794649892	OKWHZLUNNQDQMU-UHFFFAOYSA-N	316.401	3.505	50	20	DHGD	
CCCN(N=C(C)c1cc(OC)ccc1O)C(=O)OC(C)(C)C	794997186	QIMMFNLJDLVASF-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
O=C(NNc1ncnc2ccsc12)c1cccc(C2CCC2)c1	798980318	MCVZGVNCIQVNKR-UHFFFAOYSA-N	324.409	3.716	50	20	DHGD	
CC(C)C(=O)NN=CC(c1ccc(F)cc1)c1ccc(F)cc1	799871129	MWBXTZRLUSYLBZ-UHFFFAOYSA-N	316.351	3.855	50	20	DHGD	
CCC(CC)(CCO)NC(=O)CCCC[C@H]1CCSS1	801515461	QFGVKZBBUXKLHA-ZDUSSCGKSA-N	319.536	3.758	50	20	DHGD	
CSSCCNC(=O)N(CC1CC1)C1CCCCC1	807228966	KMCWGGGRDQLBTK-UHFFFAOYSA-N	302.509	3.752	50	20	DHGD	
Cc1cc(Cl)ccc1NC(=O)NNc1cccc(Cl)n1	814480429	DRTQIQMJDZDDNI-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1sc(NC(=O)NNc2ccc(C#N)cc2)nc1C(C)C	824273550	NRPPMYRXGQSSPV-UHFFFAOYSA-N	315.402	3.595	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ccccc1OC(F)(F)F	829949628	WQTDKTFEPMGAMJ-IINYFYTJSA-N	316.323	3.855	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1c(C)cccc1Cl	836932500	AWOLNPPCLVYXOH-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cnc(C2CC2)s1	836934498	MUXDVSNPEJLZJC-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCCCCC(=O)C1	836936146	GQFCGGJWGVGJRC-GFCCVEGCSA-N	308.809	3.631	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc(C(C)(C)C)n[nH]2)cc1	837055142	AZTQYAYYRIEKSG-UHFFFAOYSA-N	300.406	3.588	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1cc(C#N)ccc1Br	855618051	UFIOAKGWJRAJMF-SNVBAGLBSA-N	324.222	3.590	50	20	DHGD	
C[C@H]1CC[C@@H](C(=O)NNc2nc3ccc(Cl)cc3s2)C1	856235006	OXFNAWUMGCCYMF-DTWKUNHWSA-N	309.822	3.829	50	20	DHGD	
COC(C)(C)CCNC(=O)CCCC[C@H]1CCSS1	871251487	PKSATWYJRIFGCI-LBPRGKRZSA-N	305.509	3.632	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CC2(CCOCC2)[C@@H]1c1ccccc1	894914960	YQHLLODJSPURFZ-HJWJTTGWSA-N	305.849	3.713	50	20	DHGD	
O=C(CNc1ccccc1)NN=Cc1ccc(-c2ccccc2)o1	917533206	BSTLRMPHALEGLR-UHFFFAOYSA-N	319.364	3.509	50	20	DHGD	
C[C@H](OCC1CC1)C(=O)NN(Cc1ccccc1)c1ccccc1	920807253	CEOBOZTUOAWQKK-INIZCTEOSA-N	324.424	3.540	50	20	DHGD	
O=C(NC[C@H]1CCC2(CCCC2)O1)c1cccc(CCl)c1	1120752921	ACLDXMNCYLPUBC-OAHLLOKOSA-N	307.821	3.647	50	20	DHGD	
CC(C)(C)c1nc(C=NNC(=O)c2ccccc2Cl)cs1	1251257494	RGNBANOICJWQSM-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2cccs2)s1	1320305539	XLJPWMLVYQGAJB-UHFFFAOYSA-N	322.455	3.674	50	20	DHGD	
BrC[C@H](CN1CCSC2(CCC2)CC1)C1CC1	1331586845	BVIGGAVUKREFDQ-CYBMUJFWSA-N	318.324	3.769	50	20	DHGD	
O=C(CCCc1c[nH]c2ccccc12)NNc1ccc(F)cc1	45971466	DESNMHVSRVDAPX-UHFFFAOYSA-N	311.360	3.773	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1O	60422066	VXJDOXYBCASJCN-CXUHLZMHSA-N	307.349	3.808	50	20	DHGD	
CCC[C@H](C)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	112259957	ZYAMFOUIWQGTTO-ZDUSSCGKSA-N	317.882	3.667	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NNc2ccccc2F)c1	128461083	FRMLWFHTMVDTFJ-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1Cl)NNc1ccccc1F	152780904	OKHNEFRRTBAJSC-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ccc(OC(F)F)cc1	152840565	XKCYMDWPHDHDBV-UHFFFAOYSA-N	307.300	3.745	50	20	DHGD	
CCN(c1ccc(C(=O)NNc2ccccc2F)cc1)C(C)C	152986270	CUWOOKALVBZDOC-UHFFFAOYSA-N	315.392	3.817	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCCc3sccc32)c1	158635605	VGWKCYAKCJIGPH-HNNXBMFYSA-N	300.427	3.928	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1coc2ccccc12	159028255	PINYDPWPFRRJTM-AATRIKPKSA-N	300.745	3.764	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1/C=C(\C#N)C(=O)OC(C)C	194856296	AUGUFCQBEIXLMD-ONNFQVAWSA-N	314.168	3.861	50	20	DHGD	
CC(C)(C)C(=O)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	265058794	QGPHWIXNCMQFOY-UHFFFAOYSA-N	323.607	3.705	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)OCC	270234490	OXLJGFXHLFWPDJ-CYBMUJFWSA-N	316.323	3.520	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(Br)cs1	296079862	YMZPLPGBXUVGOM-CLTKARDFSA-N	302.168	3.735	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	490724747	BACXDSYTJCMQTG-HLVNSREUSA-N	312.394	3.541	50	20	DHGD	
CCCCCCOc1cccc(/C=C(/C#N)S(=O)(=O)CC)c1	588555504	NGNZOQQWFBOFMC-LGMDPLHJSA-N	321.442	3.945	50	20	DHGD	
CC[C@H](NC(=O)NNc1cccc(C#N)c1)C1CCCCC1	726270144	WYAVPZMVVGVYGG-INIZCTEOSA-N	300.406	3.543	50	20	DHGD	
CC(C)(C)CC(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21	728428654	GAZPANIPWUJURA-UHFFFAOYSA-N	315.392	3.900	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)COc1cc(C)cc(C)c1	729632899	JQGDPBFOMVSBJF-UHFFFAOYSA-N	322.474	3.706	50	20	DHGD	
CC(=NNC(=O)NCc1ccc(Cl)cc1)c1cccs1	732924907	BORDRJHUJPADNT-UHFFFAOYSA-N	307.806	3.625	50	20	DHGD	
C=CC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	735065930	LDCHUCDPYBTDQN-XKYMITNMSA-N	313.445	3.749	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(SCC(F)F)cc1	741760168	UJEBVBDBCKQNEC-UHFFFAOYSA-N	323.368	3.526	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cnnc2ccccc12	743410451	NFIODGSIZPJYTJ-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)c1ccc2c(c1)OCO2	747694685	BLLRDVOVJGUKKE-PPUAEEJLSA-N	321.307	3.900	50	20	DHGD	
O=C(CCc1ccccc1F)NNc1cccc2c1CCCC2	748580742	MILBUVSAVXMCMG-UHFFFAOYSA-N	312.388	3.780	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)CC2CCCC2)cc1OC	749450502	WMMIPVVRRDCEPV-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CC(=O)NN=C(C)c1cc(C(F)(F)F)cc(C(F)(F)F)c1	750915973	FJZWDGXLNAYIAE-UHFFFAOYSA-N	312.213	3.584	50	20	DHGD	
Cc1cccc(CC(=O)NNc2cc(Cl)ccc2Cl)c1	752809985	DMBKCZWGGAGLJU-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)Cc1ccncc1)CCC2	760249292	NIFHMNHURMWULE-UHFFFAOYSA-N	321.424	3.604	50	20	DHGD	
Cc1cc(C(=O)N2CC=C(C#N)CC2)c(C)n1C1CCCCC1	767176580	GRAAPXMBUBUGBQ-UHFFFAOYSA-N	311.429	3.906	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768500083	KUGCEGCITQSDBS-UHFFFAOYSA-N	308.385	3.518	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccc(OC(F)(F)F)cc1	769605520	LBYXOOZZGCVYTF-QWRGUYRKSA-N	316.323	3.855	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)OC1CCCCCC1	770405502	KEBQBQGQTOPPRM-VXGBXAGGSA-N	321.255	3.689	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccccc2)c(-c2ccccc2)n1	771518895	ASOCFYXXTXHBJQ-SFQUDFHCSA-N	313.360	3.877	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1ccc(Cl)nc1	777163596	QNKSZKDOVJFHMT-UHFFFAOYSA-N	319.817	3.770	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccccc1C(=O)OC	780738319	JZKCOJAUDLYMBC-CQSZACIVSA-N	318.417	3.523	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCC(C)(C)C3)n[nH]2)cc1	783827442	PFRQRCQHGNXQLP-UHFFFAOYSA-N	310.401	3.681	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)c1	783846017	KEZKDERXOKYXJV-UHFFFAOYSA-N	323.783	3.875	50	20	DHGD	
COc1ccc2nc(/C=C(/C#N)C(=O)c3ccoc3C)sc2c1	788691346	WAJXZJARULTHBV-XFFZJAGNSA-N	324.361	3.996	50	20	DHGD	
CSSCCNC(=O)/C(C)=C\c1ccccc1Cl	791099105	BWQPYNVITPZJDK-KTKRTIGZSA-N	301.864	3.871	50	20	DHGD	
Cc1ccc(NC(=O)NN=C[C@@H]2CCCSC2)c(Cl)c1	794911738	OZNLINPWCSSKMY-NSHDSACASA-N	311.838	3.899	50	20	DHGD	
CCCN(N=C(C)c1ccccc1C(=O)O)C(=O)OC(C)(C)C	794997566	YIKDQFQYXYMCDC-UHFFFAOYSA-N	320.389	3.756	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ncnc(Cl)c1C(C)C	798142637	NLNFCBRRXNCDAT-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
C#Cc1cncc(C(=O)NN(c2ccccc2)c2ccccc2)c1	798278978	XQHCMWPQPQMHBY-UHFFFAOYSA-N	313.360	3.546	50	20	DHGD	
CC(CCc1ccc(C(F)(F)F)cc1)=NNC(=O)C(C)C	800807447	TUNPCVJYHIJDTJ-UHFFFAOYSA-N	300.324	3.786	50	20	DHGD	
CO[C@H](COC(=O)/C(C#N)=C/c1ccc(C)cc1)c1ccccc1	801812348	FDZICVKQDPHKMO-TVNWYLLRSA-N	321.376	3.833	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)c1	806109508	FYAGEZIKOJGCML-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)n2)sc2cc(F)ccc12	807748184	GXMYQQAFVQVBLS-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cccc2cc[nH]c12	814833614	NGVSYCNIVPBFRK-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
O=C(NN=C1CCc2cc(O)ccc21)Nc1ccc(Cl)cc1	815005780	VMDLEJDOQKISAO-UHFFFAOYSA-N	315.760	3.518	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCC[C@@H]1CCOC1	816437998	UWFCGAKJQPFNBN-STQMWFEESA-N	304.477	3.670	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1ncc(C(C)C)s1	822953555	LLXGBSCPUHEDES-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
OCCc1cccc(NCc2ccc(OCCCCl)cc2)c1	825284017	CUSDAWVNSGUOBB-UHFFFAOYSA-N	319.832	3.841	50	20	DHGD	
CCSCc1ccc(NC(=O)NNc2ncccc2C)cc1	836741146	KBEPQKAYDOJBGC-UHFFFAOYSA-N	316.430	3.792	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)n2cnc3ccccc32)cc1	837053575	UREFHCRMVVDCKE-AWEZNQCLSA-N	322.412	3.864	50	20	DHGD	
Cc1cnc([C@H](C)NC(=O)NNc2ccc(C(C)C)cc2)s1	838508753	SMCAYWUBSPFVEN-LBPRGKRZSA-N	318.446	3.962	50	20	DHGD	
CC(C)n1c(SC/C=C\C#N)nc2cc(Cl)ccc2c1=O	839998174	HCGNHBALAPSTMC-ARJAWSKDSA-N	319.817	3.803	50	20	DHGD	
O=C(CSc1ccccc1[N+](=O)[O-])NN=C1CCCCCC1	842566863	NNRBMPDNNXHZSZ-UHFFFAOYSA-N	321.402	3.513	50	20	DHGD	
COCC1(CC(=O)NNc2ccccc2Cc2ccccc2)CC1	846462555	USOHMICUHGYOFB-UHFFFAOYSA-N	324.424	3.537	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C1(c2ccc(F)cc2)CCC1	855365659	PLPGONXKIFEJBD-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)c(C)c1	856811732	SQFOLFVDLOAPSF-JSGCOSHPSA-N	311.223	3.598	50	20	DHGD	
CCCC[C@H](C(=O)NNc1nccnc1C1CCC1)C(C)C	857258111	MFGKDNXSRZSDOL-AWEZNQCLSA-N	304.438	3.650	50	20	DHGD	
CCn1cncc1/C=C(/C#N)n1c(C(C)C)nc2ccccc21	901517929	JEYWJWBXLMSLAV-ZROIWOOFSA-N	305.385	3.898	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1cccc(Cl)c1Cl	916662949	ZQEUBSLWDOQQME-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC	917143096	HDFILRQUSJERPK-GXDHUFHOSA-N	320.820	3.952	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(C(C)(C)C)nn1)C1CCCCC1	1318597617	NNJONGWXWYLHEL-CYBMUJFWSA-N	318.465	3.824	50	20	DHGD	
O=C(NN=CC1CCC(c2ccccc2)CC1)[C@H]1CCCCO1	1325321061	ZIYZUKLYSODGDF-VMWRSERWSA-N	314.429	3.632	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccoc2C(=O)O)s1	1603545860	SYQIJMNPFFNUAL-UXBLZVDNSA-N	302.355	3.796	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044990	CRMBTLWHGMXQGA-NSHDSACASA-N	305.378	3.709	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)c1cccc(C(=O)O)c1)c1ccccc1	1776095481	AHLQQUQTCCRCAI-QGZVFWFLSA-N	324.380	3.540	50	20	DHGD	
CN(C)c1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	45481015	PFGFWZDNXHSZPH-UHFFFAOYSA-N	323.318	3.528	50	20	DHGD	
COCCCO[C@@H](CBr)c1cccc(Cl)c1	50480291	WJTHSKFZXVETHE-LBPRGKRZSA-N	307.615	3.829	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)c1ccc2c(c1)OCO2	58464995	IRDIWVFJIQKMFR-QSJINSDNSA-N	303.317	3.761	50	20	DHGD	
O=C(NNc1ccccc1)c1cccnc1Nc1ccccc1F	121046685	KEZOKNWHFXBYDE-UHFFFAOYSA-N	322.343	3.721	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1ccc2ccccc2n1	126172998	ZXZGUQBRVZZTAP-UHFFFAOYSA-N	323.356	3.557	50	20	DHGD	
CSc1cc(C(=O)NNc2cccc(Cl)c2)ccc1F	161119309	JIEAAAVBWCOZQX-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	171114361	DECSCKFCNQLGCC-LUYJPIOASA-N	317.348	3.523	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(F)c2)c(C)c1	179173972	VMYMHURAAQEWJL-ZSOIEALJSA-N	310.328	3.694	50	20	DHGD	
CN(Cc1cc(Cl)cn1C)/C(=C\C#N)c1ccc(F)cc1	254988016	HTYBBRWCAKKQJU-APSNUPSMSA-N	303.768	3.814	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ncccc1Cl	265137090	HHXNKAJSCNHPLT-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)C(C)(C)F)cc(Cl)c1O	296016289	UHOKSFHSDWBANX-BJMVGYQFSA-N	311.740	3.668	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C\c2ccc(Cl)s2)cc1	493422980	QZLWFNXHMACNFA-NTMALXAHSA-N	322.817	3.957	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc2ccccc2n1)c1ccc(F)cc1	588391927	VALNRAKIJUGPJB-SEYXRHQNSA-N	321.355	3.921	50	20	DHGD	
CC(C)[C@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1	616597857	GRPBMBPRXFUVSV-OAHLLOKOSA-N	301.547	3.755	50	20	DHGD	
CCOc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	728716421	BLJWUMVIXAYFLN-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(-c3ccccc3)o2)c1	728780971	HJSLFVJNFLFMGU-UHFFFAOYSA-N	315.332	3.582	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1C	731315019	SCFHDZSJUWWRDV-UHFFFAOYSA-N	309.344	3.769	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1sccc1C	733746192	HKUTUAOJBIDFJN-UHFFFAOYSA-N	318.467	3.997	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2ccc(O)c(Cl)c2)s1	734096784	XAEDVCAACXUQLB-UHFFFAOYSA-N	322.817	3.824	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cccc(Cl)c1Cl	734977440	SEMNURRZTLQSHG-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC[C@H](C)CC2)cc1	745152978	FQQVXHDZUKLHPS-XOAFGZPJSA-N	312.413	3.641	50	20	DHGD	
O=C(NN=C/C=C/c1ccccc1)c1ccc(Cl)cc1F	747643223	BWAYVIDPGXSLHD-FBZYTMSMSA-N	302.736	3.908	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc3cnccc23)cn1	748775962	LDNDRSROUPZRSK-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(F)c(F)c2)cc1	748786781	WVKNCXRGNPMMEJ-NVNXTCNLSA-N	313.303	3.924	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cc2ccccc2o1	749823484	LBLCIYRRVUMRRJ-TUVASFSCSA-N	308.381	3.975	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNC(=O)CC(C)(C)C)c(Cl)c1	755423683	GCBMHTUUCHBLID-UHFFFAOYSA-N	311.813	3.546	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(Cl)ccc1Cl)C1CCC1	756730767	YMWCVHLEQLNPTC-QMMMGPOBSA-N	302.205	3.808	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc(O)ccc1Br	769775964	JRRVRBLFHGPUBD-UXBLZVDNSA-N	308.175	3.677	50	20	DHGD	
CC(C)(C)SCCNC(=O)NNc1c(F)cccc1Cl	771317984	WLIKNYSJSGEKLY-UHFFFAOYSA-N	319.833	3.637	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)n1	773153815	NYYSQGKMRHPCKH-UXBLZVDNSA-N	306.152	3.517	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ncc(Cl)cc1Cl)CC	775271418	JJRUTWSTSGMIFN-JZDKOIQPSA-N	300.189	3.744	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1nc2ccccc2cc1C	780999261	KJRSJEASUBDMAD-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CCS[C@@H]1CCC[C@H]1NC(=O)[C@H](Br)C(C)(C)C	781096029	DJSDPSHZBRRXBK-MXWKQRLJSA-N	322.312	3.586	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccnc(C2CC2)c1	783591141	WYHCRMUWYNQFGY-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)c1	786055117	BDTLJYHMSSCKLB-WOJGMQOQSA-N	320.392	3.617	50	20	DHGD	
CC(=NNC(=O)COCc1ccccc1)C1CCC(F)(F)CC1	788716573	AFZZFDFALMTYGD-UHFFFAOYSA-N	324.371	3.521	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1Cc2ccccc21	791721428	YCVNUVLPRUYWSK-AWEZNQCLSA-N	307.180	3.776	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3oc(C)nc3c2)c(C)c1	792268426	XGVSIWJVRCUDLV-UHFFFAOYSA-N	309.369	3.818	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)[C@@H](C)c1ccc(Cl)cc1	794446112	XVKWCGPELSTWLT-LLVKDONJSA-N	301.777	3.644	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)Cc1ccccc1F)c1ccccc1	794510497	PLPITLXUIXSAOA-QGZVFWFLSA-N	312.388	3.910	50	20	DHGD	
COc1ccsc1C(=O)NNc1c(C)cccc1C(C)C	812769284	ZQHPXJHVJWMCRF-UHFFFAOYSA-N	304.415	3.945	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)cc1F	814485624	XKFAHGVSPYEXIV-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)c1ccccc1	814685913	QTCNENZMEPWFIP-PKOBYXMFSA-N	322.408	3.755	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)c(F)c1)[C@@H](C)CCCCC(=O)O	814906676	DUOWDNGMYIPTJL-NSHDSACASA-N	322.380	3.521	50	20	DHGD	
CCC(=NNC(=O)CC1CC1)c1cc(Cl)cc(Cl)c1O	814988529	KGYAIIAAPYCRJU-UHFFFAOYSA-N	315.200	3.729	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(Cl)c(F)c2)cc1	814999695	KVODXGUFXCKYBZ-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
C=CCC1(C(=O)NNc2ncccc2C(F)(F)F)CCCC1	825984843	NZFVPQXRKCIZQT-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1sc(C(C)(C)C)nc1C	855367818	SQNHDAZZOZLAJY-UHFFFAOYSA-N	321.421	3.953	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@@H]1CCCCC1(F)F	855619817	DCZSZTQEBPGMPE-NSHDSACASA-N	306.715	3.748	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856094505	LAWBVFIDKLTGPC-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
O=C(NN=Cc1ccccc1C(F)(F)F)NC1CCCCC1	916299235	DUEPXPILFOCREU-UHFFFAOYSA-N	313.323	3.671	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@H]2c2ccccc2)cc1	1116045758	FAUZHHYGMVYUSV-KRWDZBQOSA-N	308.381	3.749	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)c2c(C)noc2C)cc1Cl	1319566883	PWBCJROSXOKJOA-JTQLQIEISA-N	321.808	3.890	50	20	DHGD	
O=C(CCl)Nc1nc2c(s1)C[C@@H](c1ccccc1)CC2	1323270662	WPUOQQFVEGSMBH-NSHDSACASA-N	306.818	3.593	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CC2CCCCCC2)nn1	1323566405	JIPCLOCRNAMFDS-UHFFFAOYSA-N	304.438	3.578	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(C3CCCCC3)c2)cc1F	1328843813	OIJZEBUNFYILGD-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)c1	72514201	SKELVYLNFLAPML-GFCCVEGCSA-N	300.427	3.938	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ccc(-c2ccccc2)nn1	85655486	PPSXEJIXMQGOHW-UHFFFAOYSA-N	310.401	3.557	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CC(F)F)c1C	103399982	FBFQONTZCLHYOB-DHDCSXOGSA-N	323.387	3.536	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)NNc2ccc(Cl)cc2)c1	120154025	NDVCQWRXOQGFOV-LLVKDONJSA-N	304.777	3.595	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)c1ccc(F)cc1	123449049	RLUIYNUUCZDPTO-LFIBNONCSA-N	321.355	3.611	50	20	DHGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1	125256924	VETNUOQANHFKSY-VBKFSLOCSA-N	318.376	3.548	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)c1	132769956	OVSSCNJIOHVOIQ-LGBHXNNWSA-N	320.383	3.886	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	173620915	AYRUCVHNWBIUFZ-INIZCTEOSA-N	322.330	3.987	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ncccc2Cl)cc1	176160094	OHMPUFGNLPEHJV-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
CCCOc1ccc(Cl)cc1NC(=O)NNc1ccccn1	180684021	IPDOQEWTPFIRLN-UHFFFAOYSA-N	320.780	3.672	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1c(F)ccc(F)c1F	185426223	LXPVLJBZOJCGCH-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1F	588580503	SEWWFYXGGSCOHL-JYRVWZFOSA-N	305.312	3.842	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	732716554	VEPGYUYNUBKGQR-GHRIWEEISA-N	324.424	3.949	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNc1c(F)cccc1F)CC2	735760075	KXTLHPMMSWMBOH-HNNXBMFYSA-N	317.339	3.587	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C1(c2ccccc2F)CC1	736068482	CKVSPMKCDDDITF-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
Cc1ccc(Br)cc1C(=O)NNc1cccc(F)c1	748089287	AOQMSXXLYZBJLW-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C[C@@H](C=NNC(=O)COCc1ccccc1)CCc1ccccc1	749164861	QHYWOPKLDOLAIS-QGZVFWFLSA-N	324.424	3.574	50	20	DHGD	
Cc1cc(C=NNC(=O)CCc2ccccc2)c(C)n1C1CC1	749744992	NNOXBOWDWXXTNW-UHFFFAOYSA-N	309.413	3.523	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2cccnc2Cl)cc1	754485041	CJQGPPUENHPXEO-UHFFFAOYSA-N	317.820	3.934	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1ccc(O)c(Cl)c1	755733939	KQBHJKMNKJJUIG-KBPBESRZSA-N	314.772	3.565	50	20	DHGD	
CC[C@@H]1CC(=NNC(=O)c2c(Cl)cccc2Cl)CCO1	756827264	SLEKNBHKTGKMSZ-SNVBAGLBSA-N	315.200	3.668	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1	760023003	QIAQVVGXLPWXSN-KJCUYJGMSA-N	312.413	3.917	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc3sccc3c2)c1	761580550	BZQQOYPVESMGEQ-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1[N+](=O)[O-]	764886197	NWIQPCGBKFCSIU-DHDCSXOGSA-N	322.320	3.702	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)c1ccc2ccccc2n1	767351625	GHDVQIBRVZECGX-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
Cc1cc(O[C@H](C)C(=O)NCCCSC#N)ccc1C(C)C	774296436	GFJPAYWZUICCAT-CQSZACIVSA-N	320.458	3.606	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(C)ccc23)cn1	780153123	LQCJKDMMSDPDCM-ZSOIEALJSA-N	317.348	3.670	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2cc(F)c(F)cc2F)C[C@H](C)C1	780520616	SAJHTKDYVPZPFT-RKDXNWHRSA-N	300.324	3.619	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2cc(C)ccc2F)cc1	780638024	TYOGCMWMDNERLG-UHFFFAOYSA-N	308.303	3.678	50	20	DHGD	
CN(c1ccc(C(C)(C)C)cc1)S(=O)(=O)CCCCCl	780719015	DLXAKXROJHZZRZ-UHFFFAOYSA-N	317.882	3.769	50	20	DHGD	
CCOc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1F	782144315	XQMZQZAJRYJCBP-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)COC(=O)/C(C#N)=C/C2CC2)cc1	786676925	WECWTZSKKTZPRG-VZWMTCDZSA-N	311.381	3.786	50	20	DHGD	
CSSCCNC(=O)c1sc(C)nc1-c1ccccc1	791152306	LATBVIWEGOGQKQ-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
CSc1ccc(C)c(NC(=O)NNc2ncccc2C)c1	792359079	FCGUJDCBXQHLAX-UHFFFAOYSA-N	302.403	3.569	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ncc(CN(C)C)s2)n1	794702427	QEXFDKRWYWJVOO-WZUFQYTHSA-N	318.471	3.849	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)CCc1ccco1	794781120	FRZASDCVQMVXNV-UHFFFAOYSA-N	320.776	3.680	50	20	DHGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)[C@@H]1CCCOC1	794884634	QXBHDGHCQOLIKL-HRYODUOUSA-N	316.426	3.703	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ncccc1C(F)(F)F	795120638	LKRXDICWGPWDDN-ZDUSSCGKSA-N	303.328	3.760	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)Oc1cccc(F)c1	799760895	SHDLABHZWDYMIU-CYBMUJFWSA-N	316.376	3.607	50	20	DHGD	
CC(COC(C)C)=NNC(=O)c1cc2c(s1)CCCCC2	799873012	IPUOAJGEAIIZSS-UHFFFAOYSA-N	308.447	3.548	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)COc1ccccc1C#N	812768118	GJMLKGFXUBWLQQ-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](OC(C)C)c2ccccc2)c1	815853133	XVNFTZIONBDJQF-GOSISDBHSA-N	312.413	3.913	50	20	DHGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)C1	815853271	DHQFOESINUKDDN-MWLCHTKSSA-N	317.216	3.642	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(-c2cccs2)cc1	818269117	YYEIANTYLAWUPD-UHFFFAOYSA-N	309.394	3.897	50	20	DHGD	
CC(C)(C)OC(=O)[C@]1(C)CCN(/C(=C\C#N)c2ccccc2)C1	839105926	WRXAWIYSCCZUGR-NXIIHZOPSA-N	312.413	3.605	50	20	DHGD	
Cc1cc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)nn1C	844348591	BEODWOSMNOYHKJ-MRXNPFEDSA-N	323.557	3.715	50	20	DHGD	
CC1CC(C#N)(C(=O)NNc2ccccc2Cc2ccccc2)C1	846463627	GHJYXOPUYDSFOA-UHFFFAOYSA-N	319.408	3.660	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccc(Cl)cn1	856093958	SOILBZZAWPQZJC-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
CC(C)c1cnc(CNC[C@]2(C)C[C@@H]2Br)s1	856808704	DFRMBVDHATYEAD-JQWIXIFHSA-N	303.269	3.530	50	20	DHGD	
C[C@H](Cc1ccccc1F)NC[C@@]1(C)C[C@@H]1Br	857063711	POODMRPCMBVFPM-DDTOSNHZSA-N	300.215	3.520	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1ccc(Br)cc1C	860326870	RHTKZECLFCZIQK-UHFFFAOYSA-N	324.222	3.531	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ccc(F)c(Cl)c1	863080854	PULXELWLSULHST-AWEZNQCLSA-N	314.788	3.660	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(\C#N)C(=O)NCc2ccco2)c1	864363470	RDNKAMQOIYDZMO-XNTDXEJSSA-N	324.380	3.680	50	20	DHGD	
CSc1ccc(N(C)C(=O)[C@]2(C)C[C@H]2Br)cc1	906663248	DLOJVEOKIVYHHH-DGCLKSJQSA-N	314.248	3.545	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	916337580	CHTWOGJQPBIYTK-IRWJRLHMSA-N	321.424	3.639	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)CCc1ccc(OC)cc1	920380108	OOOFGFYTWDTRTI-AWEZNQCLSA-N	304.434	3.946	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)N[C@@H]1CCCC(F)(F)C1	921538034	JLXQANLMYWWXEC-SECBINFHSA-N	321.730	3.683	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	928337979	ZPSXJYUUPIBZRA-XJKSGUPXSA-N	324.852	3.933	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC2(C)CC2)c(C)n1CCC(C)C	1251938026	LMLCJCPPFDMBLH-GZTJUZNOSA-N	313.445	3.727	50	20	DHGD	
CC(C)[C@H](C#N)C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	1319380466	KSCIBYKTPKIJDR-RHSMWYFYSA-N	323.396	3.505	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)c2ccncc2)cc1Cl	1348460401	ZNPIIDTZYJQHJJ-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
O=C(Nc1cc(Cl)c(O)cc1F)C1CCC(Cl)CC1	1352198916	POCBJWYDJMFRRP-UHFFFAOYSA-N	306.164	3.921	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C/C(=O)O)o1)c1nccc2ccccc12	1777566081	KPDUKJQYHBOPBV-DQBULIGTSA-N	316.316	3.990	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C/C(=O)O)o1)c1ccc2ccccc2n1	1777566098	LNUYHEVMBASHDB-LTBWBYIDSA-N	316.316	3.990	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ccc(F)cc2)cc1	55797082	UMFFTCNFSANKIK-UHFFFAOYSA-N	304.390	3.836	50	20	DHGD	
Cc1cccc(NC(=O)CN(C)/C(=C/C#N)c2ccccc2)c1C	78685976	MBUJEGLFTNAUTG-XDHOZWIPSA-N	319.408	3.738	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H]2C=CCC2)ccc1Br	114888367	ICQATKHAETUCSV-NSHDSACASA-N	309.207	3.557	50	20	DHGD	
CC[C@@H](SC)C(=O)NNc1c(Cl)cc(F)cc1Cl	124505501	FKFIIEMYTPLKJD-SECBINFHSA-N	311.209	3.717	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C	153084533	XSKPTWQQFYPGST-FNWMBBJUSA-N	321.446	3.538	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F	154333173	AROCUNPOQUDVPV-NEPJUHHUSA-N	304.287	3.638	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2csc3ccccc23)c1	156108967	RGXNNBCCJOWYPU-UHFFFAOYSA-N	316.357	3.806	50	20	DHGD	
Cc1noc2ncc(C(=O)NNc3ccc(C(C)(C)C)cc3)cc12	181116279	JSOXSZNFZLKZBM-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1scnc1C1CCCC1	184017703	JMIDGJWKTBBXQF-UHFFFAOYSA-N	323.368	3.836	50	20	DHGD	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	188085237	MOIIMBXBKDLANS-LCYFTJDESA-N	312.756	3.900	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2c(C)nc3sc(C)cn23)n1	193791150	NXISAWQPHAUXAB-NYYWCZLTSA-N	300.412	3.842	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@H]3C)o2)cc1	254383146	SXJYDTWWOPGZFP-CBBIONNGSA-N	322.364	3.957	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)c1ccccn1	263768736	SSCMQKAMKDTCTG-CHWSQXEVSA-N	310.488	3.973	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ncccc1Cl	295243248	LVEWWSYPFPRCPL-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@@H](C(F)(F)F)C1(C)C	309128424	BIJJBJICYGGJPR-DTWKUNHWSA-N	302.178	3.680	50	20	DHGD	
CCc1nc(C)c(NC(=O)/C(C#N)=C\c2ccc(F)cc2)s1	490908088	JEYVBRMWMKKHNM-WQLSENKSSA-N	315.373	3.699	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc2cc[nH]c12	490909505	OGOOSVQVNYGKGM-GXDHUFHOSA-N	305.312	3.853	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CCCC(C)(C)C)c(C)c1	728984500	FAPVYKIVSGPCNP-UHFFFAOYSA-N	321.490	3.837	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cccc(F)c1F)c1ccccc1	731931589	LEZXIKUVAUURII-AWEZNQCLSA-N	302.324	3.609	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)C1CCC1	731936221	MMMKQTLXIKMIMZ-UHFFFAOYSA-N	302.761	3.850	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(C(=O)O)cc3)[nH]c12	735620386	YULZYGFKRBDVJX-ZROIWOOFSA-N	303.321	3.634	50	20	DHGD	
CC(Cc1ccccc1C)=NNC(=O)c1c[nH]c2ccccc12	743420487	CPAQBUHUHMFWMA-UHFFFAOYSA-N	305.381	3.825	50	20	DHGD	
CCN(CC(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743764544	QOAYLKYDKHDSRJ-UHFFFAOYSA-N	311.429	3.581	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccc(Cl)nc1	743817010	PBVQEALEKQURAQ-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2ccccc2Br)C1	748065440	BEZXEBFJVBGVMJ-SPQRFVMMSA-N	309.207	3.639	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C#N)cc2C)cc1	748920153	IJSFWMIXJHYDQQ-VXLYETTFSA-N	316.360	3.826	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1nc2cc(Cl)ccc2n1C	749158577	UJSSDIJLHIKERL-UHFFFAOYSA-N	320.824	3.503	50	20	DHGD	
N#CCCn1cc(C=NNC(=O)CC2CCCC2)c2ccccc21	749450571	YIJJHULKYOZCQM-UHFFFAOYSA-N	322.412	3.585	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc(C)c(C)s2)o1	751513899	OCSYKPHPMAUZCL-YRNVUSSQSA-N	302.355	3.594	50	20	DHGD	
CN(CCOCC1CC1)C(=O)CCCC[C@H]1CCSS1	755600447	QEDDHBKYEAINQW-AWEZNQCLSA-N	317.520	3.586	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)Cc2cccc(Cl)c2)cc1	756766045	HQXXBMDUPSMARM-LBPRGKRZSA-N	318.804	3.671	50	20	DHGD	
C[C@H](C[C@H]1CCOC1)NC(=O)CCCC[C@H]1CCSS1	759813142	FKVKQQNXQNDUHX-MCIONIFRSA-N	317.520	3.632	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNc1ncc(F)cn1	760912629	ZVEFBLODMPBIRK-MRXNPFEDSA-N	310.417	3.836	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc3c(c2)COC3)cc1	762158806	HFBYDDSNDMWCNS-QGMBQPNBSA-N	319.360	3.676	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)c2cccc3c2OCCO3)c1	771514938	WWVCIODZJPJIQJ-WJDWOHSUSA-N	319.360	3.865	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccccc2OC(F)F)ncn1	773176439	MCROHUVVRBYCHF-WDZFZDKYSA-N	319.336	3.864	50	20	DHGD	
N#C/C(=C/c1nc2c(s1)CCCC2)C(=O)c1ccc(F)cc1	776266570	RSSUDFMIHMGAJJ-XFXZXTDPSA-N	312.369	3.951	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	780854449	HYSUYLFGXCPYQQ-QXMHVHEDSA-N	320.458	3.524	50	20	DHGD	
CCOCc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1OC	781553843	YFGYFBJSTKYNKB-YBEGLDIGSA-N	313.397	3.898	50	20	DHGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)C2CCCC2)cc1	781555130	ZDZCMIKZLLJQGY-XNTDXEJSSA-N	321.380	3.752	50	20	DHGD	
CC(C)(C(=O)NN=C1CCC2(CCCO2)CC1)c1ccccc1	788019693	DDOSYWHKEWDZGS-UHFFFAOYSA-N	314.429	3.560	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(Br)nc1	795094381	HEBKUSIHCYBXAD-ZDUSSCGKSA-N	314.227	3.504	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccccc1OCC	797317022	CQBVABQZZJSDSX-DTQAZKPQSA-N	300.402	3.689	50	20	DHGD	
O=C(NN=C1CCCC12CCOCC2)c1cccc2ccccc12	799882098	DAUHQQYDWUGRBB-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
CCOC1CC(N(C)Cc2ccc(OCCCCl)cc2)C1	811507460	COMJIWKDJGHGCL-UHFFFAOYSA-N	311.853	3.694	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CC1CC(c2ccccc2)C1	816629445	MWDLCQBXIJZQLS-UHFFFAOYSA-N	300.229	3.832	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(Cl)c2)nn1C(C)C	817358785	PUCNWVQWNQYREK-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CC(C)(C)Oc3ccccc32)cc1	839496273	GXRLAHNPRDPHDK-INIZCTEOSA-N	310.397	3.783	50	20	DHGD	
Cc1ccc(-c2nn(C)cc2/C=C(/C#N)C(=O)CC(C)(C)C)o1	843264476	IPBLZOBLTIGPOQ-JYRVWZFOSA-N	311.385	3.901	50	20	DHGD	
C[C@H](COCC1CC1)NC(=O)CCCC[C@@H]1CCSS1	846533066	XFIAEJZAILUXMR-TZMCWYRMSA-N	317.520	3.632	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)Nc2ccccc2C)cc1	915971535	ADMKNXCDOYIDTJ-UHFFFAOYSA-N	311.385	3.939	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccc(F)c2)n1	920386803	FMEREMAXOWTVRH-IZZDOVSWSA-N	302.330	3.523	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2cc(C)ccc2F)c(C)c1	1347815406	JKEHBMXISDATRB-UHFFFAOYSA-N	300.377	3.745	50	20	DHGD	
Cc1c(NNC(=O)c2ccc3ccccc3c2)cccc1C(=O)O	1607553167	YBRTZZNQPYHIDG-UHFFFAOYSA-N	320.348	3.603	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc(CO)c1	102001865	NQCPJBBDWZRQFM-CQSZACIVSA-N	311.472	3.832	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(F)c1F	107417581	DYXWFXPSTXYBJU-PEZBLYKWSA-N	304.340	3.567	50	20	DHGD	
N#C/C(=C/c1cccnc1)C(=O)Nc1c(Cl)cccc1Cl	107913178	XVTKWLOWNNULGK-XFFZJAGNSA-N	318.163	3.934	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc(Cl)ccc1F	118511984	HLDMOYOAMNAOGD-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(OC(F)F)cc2)c1C	122130390	JYKQCQMHDRAVRC-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccsc1	122934844	UHOJMFCAXAIVOU-SECBINFHSA-N	312.341	3.596	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1C	125318324	DYJHEZJAHYLXCW-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1	125516379	FKVLHZXSABVSKW-GWHHBTOMSA-N	307.777	3.966	50	20	DHGD	
CCC[C@H](C)C(=O)NNc1c(F)cc(F)cc1Br	174176857	GTGGORKZUWXAJZ-ZETCQYMHSA-N	321.165	3.607	50	20	DHGD	
CN(CC(F)(F)F)C(=O)CCCC[C@@H]1CCSS1	194154207	FXYYUYRVSMFZLR-SECBINFHSA-N	301.399	3.721	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1F	195503194	NVGITEHIZIPRNC-LFYBBSHMSA-N	317.266	3.902	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1c(F)cccc1F	269581805	KKZKESZTEWARBU-NXEZZACHSA-N	308.353	3.582	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC2(CCC2)[C@H]1C1CC1	366357643	IOWJXOPHPITNMJ-VXGBXAGGSA-N	314.267	3.587	50	20	DHGD	
COC(=O)N(C)N=C1CCCc2nc(-c3ccccc3)sc21	495678286	XPGLZWLKWZJEGC-UHFFFAOYSA-N	315.398	3.549	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)c1ccc2c(c1)OCO2	588600890	UVMNPNIRTNKCBD-KMKOMSMNSA-N	317.753	3.920	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)C1CCCCCC1	726190127	NSDNEIKODXIEFG-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCCOc2ccccc21	728430105	ZBPUMUXMCXRVJS-UHFFFAOYSA-N	322.408	3.702	50	20	DHGD	
C=CCCOC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	729072631	RYERVVLTGLKIFQ-ATVHPVEESA-N	300.402	3.931	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)NC1CCCC1	734429193	FEWIFFUQFOEVJH-INIZCTEOSA-N	323.481	3.502	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=C(CC1CC1)c1ccccc1	735972817	UPIPGVCLIUHAAH-UHFFFAOYSA-N	310.372	3.689	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)[C@@H](CC)c2ccccc2)C12CCC2	741164316	GLMHJYPTVDCTMC-RDJZCZTQSA-N	314.429	3.632	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3nccc4ccccc34)nc12	741473482	QNQVGCRGSKPTJF-GXDHUFHOSA-N	311.348	3.879	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc(-c2ccncc2)cc1	745193186	INDZVKQNIPOZAK-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
C=CCCOCC(=O)Nc1c(CC)cc(SC#N)cc1CC	748672619	JMEYSJZNPCZMEE-UHFFFAOYSA-N	318.442	3.916	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1c(F)cccc1F	754085527	ZTYOLVSOYCDNRS-UHFFFAOYSA-N	302.390	3.720	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)c1cccc(OC(F)F)c1	755699154	PNJJISKDVUGMNW-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)C1SCCS1	761141541	RLWBKRYTSQEOEV-UHFFFAOYSA-N	316.451	3.662	50	20	DHGD	
COc1cccc(C)c1NC(=O)[C@H](Br)C(C)(C)C	768672890	ZAGIZHNJYZBUGT-LBPRGKRZSA-N	314.223	3.752	50	20	DHGD	
COC1(C)CCN(C(=O)CCCC[C@H]2CCSS2)CC1	775194054	VSLXCKQZINFVNV-ZDUSSCGKSA-N	317.520	3.728	50	20	DHGD	
C=C(C)CN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	778121772	BGMCABXFOMSCOU-WOJGMQOQSA-N	313.445	3.847	50	20	DHGD	
C[C@@H](C1CC1)N(C(=O)[C@H](Br)C(C)(C)C)C1CC1	781083226	VMCKJWQDOOIQKY-CABZTGNLSA-N	302.256	3.586	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1cc2c(Cl)cccc2s1	781357535	NIBRCUTWXDIUPS-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)C2CCCC2)c(-c2ccccc2)n1	781555440	JIUDCRCVDRWETC-LFIBNONCSA-N	305.381	3.753	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2sccc2Cl)cc1C	782136225	RBJFZSUAOWPFGU-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@H]1CCCCS1	783590538	XLHQIRFYSHMLST-LLVKDONJSA-N	305.230	3.722	50	20	DHGD	
CC(C)(C)OCCCCOC(=O)[C@H](Br)C(C)(C)C	789089067	BVDBDRFPOAVODE-NSHDSACASA-N	323.271	3.935	50	20	DHGD	
CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2ccc(O)c(O)c2)CC1	794550667	HLWQPCYDSJBNHB-CYBMUJFWSA-N	318.417	3.810	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1Cc2cc(C)c(C)cc2O1	799755383	YAHOOMMHJHZFDA-GOSISDBHSA-N	324.424	3.621	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCOc1cccc(F)c1	799756628	HSIHTNVVEIBVIN-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803433196	RQUAFEUXJMWLSN-UHFFFAOYSA-N	315.417	3.578	50	20	DHGD	
COc1ccc(NNC(=O)/C(C)=C\c2ccc(Cl)cc2)cc1	810345273	FHHFBWWFUYBUTK-QXMHVHEDSA-N	316.788	3.895	50	20	DHGD	
Cc1cccc(OCC(=O)NNc2c(C)cccc2C(C)C)c1	812768114	GHIOBDIDGBWBOK-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
O=C(NN=C1CC[C@H](Cc2ccccc2)C1)c1ccccc1F	814699743	JKCIUKWPJKUESC-OAHLLOKOSA-N	310.372	3.954	50	20	DHGD	
CCC(=NNC(=O)COc1ccc2ccccc2c1)c1ccco1	814790548	PNRKXJFNBWRIPK-UHFFFAOYSA-N	322.364	3.742	50	20	DHGD	
C[C@@H](CC(=O)NCC(Cl)Cl)Cc1ccc(Cl)cc1	819794116	KGMGAJPQPJCDMI-SECBINFHSA-N	308.636	3.829	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc3oncc3c2)c(C)c1	821028514	TVRPUHGSQDBIQF-OVCLIPMQSA-N	317.348	3.990	50	20	DHGD	
N#Cc1cccc(NNC(=O)C2(C(F)(F)F)CCCCC2)c1	830767196	XCTGQVXUABNUDG-UHFFFAOYSA-N	311.307	3.514	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	833608599	NKUSWNNRAROHPQ-QWRGUYRKSA-N	324.808	3.698	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)cc2ccccc12	834438098	GVNNMYJCFGHWOG-IUPCOXQMSA-N	321.376	3.751	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1oc(C(C)C)nc1C	836936594	OTIMJBWAXSUCAD-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
COCc1cccc(CC(=O)NNc2ccc(C(C)C)cc2)c1	837057735	HZRPGXVWHSNMJR-UHFFFAOYSA-N	312.413	3.642	50	20	DHGD	
Cc1cccc2c1O[C@@H](C(=O)NNc1ccc(C(C)C)cc1)C2	837058558	RBWPKKBXMRLIKP-QGZVFWFLSA-N	310.397	3.565	50	20	DHGD	
CC(C)CC(CC(C)C)C(=O)NNCC(F)(F)C(F)(F)F	863101688	CTYQUBOWOFTMON-UHFFFAOYSA-N	318.330	3.513	50	20	DHGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)c1ccsc1	917146481	OEUAEEPABNBNRA-PXNMLYILSA-N	317.373	3.995	50	20	DHGD	
O=C(O)COC(=O)c1ccc(S(F)(F)(F)(F)F)cc1	1595106753	GHMXLMHVQLBTHJ-UHFFFAOYSA-N	306.208	3.585	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@H]1C[C@@H]1c1ccc(F)cc1	106924461	XZCUFZQVFVXFNE-CVEARBPZSA-N	321.355	3.621	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1ccnc2ccccc12	106925453	UPKGQIFUUWTNRR-LBPRGKRZSA-N	303.431	3.600	50	20	DHGD	
C[C@@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1ccccc1	111553152	HTUTWVBOPJWFHK-LLVKDONJSA-N	324.302	3.616	50	20	DHGD	
Cc1cc(OC(=O)c2ncoc2-c2ccccc2)ccc1[N+](=O)[O-]	112001629	DIPHRQFEYJXZRE-UHFFFAOYSA-N	324.292	3.777	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cc(Cl)c[nH]1	128714413	LHAYXHIFWSDLOB-UHFFFAOYSA-N	321.661	3.583	50	20	DHGD	
CCO[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	130419375	GQDFFPRVMWRPPN-ZIAGYGMSSA-N	317.520	3.728	50	20	DHGD	
Cc1cnc(NC(=O)NNc2c(Cl)cccc2Cl)s1	131658427	GCLMNJSOFIMIIA-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
I[C@H]1CCC[C@H]1OCc1ccccc1	158127733	JMFCZIVQOBUVCU-NWDGAFQWSA-N	302.155	3.559	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnn(-c3ccccc3C)c2)c1	158741002	BUSXYEKRHOYXIQ-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1F)C(=O)Nc1ccccc1F	170963945	JZOFAECCFFQALM-DHZHZOJOSA-N	302.255	3.650	50	20	DHGD	
CSc1ccc(NC(=O)[C@]2(C)C[C@H]2Br)cc1	205582276	IMZLBPNAHAYFLH-ZYHUDNBSSA-N	300.221	3.521	50	20	DHGD	
CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccccc2)cc1	254490145	OAXJXLWAIKXMOW-UHFFFAOYSA-N	310.397	3.513	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CC2(CCCC2)[C@@H]1c1ccccc1	491082375	IQRCXGLVXOWPKM-MAUBAPBLSA-N	310.397	3.574	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)c1cccc(F)c1	588597484	LUPKRARAAQKLRD-MHWRWJLKSA-N	321.355	3.611	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(SC(C)(C)C)cc1	726764938	PXICNQSEUWWEAT-QXMHVHEDSA-N	304.415	3.960	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ncc(C(C)(C)C)o2)cc1	733396669	ZQNWYUZGGWFHCW-DHDCSXOGSA-N	324.380	3.931	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cnc(-c2ccc(C)cc2)s1	734298163	AVFRIAGXDNGJCM-GFCCVEGCSA-N	301.415	3.615	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCc2ccccc21	735694038	BCPNEMXBMFGYEL-CYBMUJFWSA-N	302.324	3.528	50	20	DHGD	
CN(C)C(=O)NN=Cc1cc(C(C)(C)C)cc(C(C)(C)C)c1O	745604903	GSIOIZSDBFYAJI-UHFFFAOYSA-N	319.449	3.592	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NNc2cccc(F)c2)c1	748089496	ZQSAQPXKRAGBOJ-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccc([N+](=O)[O-])cc1Cl	748722292	PKZDFYVMHGHTTB-DCAQKATOSA-N	323.780	3.518	50	20	DHGD	
CCC1(C(=O)NNc2ccc(Br)cc2Cl)CC1	749531353	QLOLYUPVUHNANM-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
Cc1ccc(C)c(COC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	750662330	JYPYRQJRLPAWBZ-YBEGLDIGSA-N	307.349	3.659	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)NC1CCCCC1	754508182	RDSMFFJDVXYOBC-UHFFFAOYSA-N	319.302	3.803	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(Br)c(Cl)c1	754933624	UJJPGWFBGWKARG-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
Cn1cc(C=NNC(=O)c2cc3ccccc3o2)c2ccccc21	755758093	NFEPHDORUJGJOX-UHFFFAOYSA-N	317.348	3.688	50	20	DHGD	
Cc1nc(CC(=O)NN=C[C@@H](C)CC2CCCCC2)cs1	758086300	WNGKCDARRDTJNG-LBPRGKRZSA-N	307.463	3.703	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C[C@@H](C)CCC#N)cc1	765993288	LKXHPXPWLIAMLC-AWEZNQCLSA-N	322.412	3.750	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cc2c(s1)CCCCC2)CCC#N	766000951	BSIMYMZOAHBGSI-GFCCVEGCSA-N	303.431	3.672	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1CC(F)(F)C1	767402578	RBTBTCCJRODAQU-UHFFFAOYSA-N	313.106	3.621	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1nc2ccccc2[nH]1	768507575	RMUXTOKXEBJHIA-CYBMUJFWSA-N	308.385	3.508	50	20	DHGD	
COc1ccc2c(c1)CN(/C(=C\C#N)c1ccc(F)cc1)CC2	771796360	OWQWDWBXIGSADK-UWVJOHFNSA-N	308.356	3.757	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2nc3c(s2)CCCC3)ncn1	773171811	KNLUWULMMSQVDB-UXBLZVDNSA-N	314.439	3.598	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)C1CCCC1	781552973	GZIZGDUZGIYACB-ZROIWOOFSA-N	314.341	3.660	50	20	DHGD	
C[C@@H]1CC(C)(C)CC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	787409566	OCKRHNMWSNZRGU-WYRKQZDXSA-N	312.413	3.630	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@H](C)c1ccccc1C	788190337	LRUHDFSLHCJQEN-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788409593	VMWGHNLYMXJHHV-NWDGAFQWSA-N	319.817	3.706	50	20	DHGD	
CCCCCCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	791064873	WXLKKSIBQKFWBE-UHFFFAOYSA-N	311.357	3.928	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCCCS1	791733966	ZGXYKDHCXCAEPL-NSHDSACASA-N	305.230	3.722	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc(C(F)F)cc1	794503147	YWJYPUZVCMSXAE-UHFFFAOYSA-N	302.324	3.707	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794875952	YPDCFTCRHSPDDY-SDNWHVSQSA-N	311.360	3.924	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1ccoc1C	794940394	YITOSEPEFLLJAJ-VGOFMYFVSA-N	309.321	3.693	50	20	DHGD	
Cc1cnccc1OC1CCN(/C(=C\C#N)c2ccccc2)CC1	798192982	YANZYIRUWNJTPN-GXHLCREISA-N	319.408	3.798	50	20	DHGD	
CC(C)[C@@H](Oc1cccc(Cl)c1)C(=O)NCC(Cl)Cl	808130690	GTGXIXSMWYMALL-GFCCVEGCSA-N	324.635	3.663	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)N(C)CC(Cl)Cl)c1	808246329	AXBMPQHFAGDYLN-UHFFFAOYSA-N	318.244	3.759	50	20	DHGD	
ClCCCOc1ccc(CN2CCC[C@@H]2[C@@H]2CCCO2)cc1	811503794	DBGIWUMESZXNGJ-MSOLQXFVSA-N	323.864	3.838	50	20	DHGD	
CC[C@@H](NC(=O)NNc1c(C)cccc1C(C)C)[C@H]1CCCO1	813116830	MWQRXNXWBYFBDW-HZPDHXFCSA-N	319.449	3.702	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CC[C@@H](Cc2ccccc2)C1	814711219	FPKSTCUBWBMVNI-KRWDZBQOSA-N	321.424	3.614	50	20	DHGD	
CC(C)OC1CC(=NNC(=O)c2cc3c(s2)CCCCC3)C1	814767669	PIGCYENAYOKUDV-UHFFFAOYSA-N	320.458	3.690	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1nc(-c2ccccc2)cs1	814809539	FJTNIIWMMVAPMM-LLVKDONJSA-N	301.415	3.696	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CC[C@H](c2ccccc2)C1	814840895	UHIFGCMCQGTJLR-KRWDZBQOSA-N	322.408	3.765	50	20	DHGD	
CCCCC=NNC(=O)Nc1cc(OC)c(Cl)cc1OC	814994841	CGCJWPLYIJWKER-UHFFFAOYSA-N	313.785	3.655	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@H](C)c2ccccc2F)cc1	817900235	ZRVHOXSIYITIHC-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cccnc1NC(C)C	836934692	PTFDPEYERZNHPK-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(C)cc2Cl)CCO1	836935829	BUZVTQHTCXWNAJ-QWHCGFSZSA-N	310.825	3.687	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1Cc1cnc[nH]1	844348628	BXMSLJCBENTXRS-OAHLLOKOSA-N	309.530	3.786	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1Cc1ncccn1	844350028	SHTZXYJCOBSIBP-OAHLLOKOSA-N	321.541	3.853	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ncnc3c2CCC3)C1	853897465	HVRILDWCCJILFW-CYBMUJFWSA-N	319.525	3.566	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1cc(C#N)ccc1Br	855618050	UFIOAKGWJRAJMF-JTQLQIEISA-N	324.222	3.590	50	20	DHGD	
C[C@H](NNC(=O)/C=C\c1ccc(C(C)(C)C)cc1)C(F)(F)F	862307664	NLXWXEYBZWTXFB-BRNRAETOSA-N	314.351	3.569	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@H](c2ccccc2)C(F)(F)F)n1	862522964	MZEQVVZRIDGUCQ-CYBMUJFWSA-N	323.318	3.569	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cnn(C(C)(C)C)c1C	885124083	MVZYWJFTYVHQAI-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
C[C@]1(C(=O)N2CCC(c3ccccc3)CC2)C[C@@H]1Br	905778838	TZRPUEQKCNXKRU-HOCLYGCPSA-N	322.246	3.566	50	20	DHGD	
Cc1ccoc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912584889	MJMXEHZOVUDBHR-ZDUSSCGKSA-N	309.482	3.824	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCCOc2ccccc2)cc1	913228877	QCLCSFCHEKNPSX-NBVRZTHBSA-N	321.376	3.914	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2)c(C)n1Cc1ccco1	1319371083	WSICKDBDAHXICO-UHFFFAOYSA-N	309.369	3.503	50	20	DHGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)c2ccc(F)cc2n1	1327636268	UUYGDYBATQWYLD-UHFFFAOYSA-N	315.175	3.558	50	20	DHGD	
CCO/C=C(\C#N)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1	1348930556	JIWMWZVKAZKPTM-OYVNLZQHSA-N	319.748	3.764	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044901	LHYXUVFFWYKDKO-NSHDSACASA-N	305.378	3.709	50	20	DHGD	
O=C(O)c1cccc(C(=O)NN=C2CCC3(CCCCC3)C2)c1	1776096603	JPABTUXXSSGCPM-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1Oc1ccccc1	7697670	MWHRAAVPTQWRJM-BUHFOSPRSA-N	308.337	3.861	50	20	DHGD	
Cc1nc2ccc(NC(=O)NNc3ccccc3Cl)cc2o1	92226227	VRYQJLOJSOXONF-UHFFFAOYSA-N	316.748	3.938	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccnc2ccccc12)c1ccccc1	106925272	JEEBPDYLZQDEAN-AWEZNQCLSA-N	305.381	3.872	50	20	DHGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)c1cccs1	120327298	UKQMPYBLOOCRRI-LBPRGKRZSA-N	300.427	3.874	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2[nH]nnc2c1	153322908	QLUGNHBVFTXSBI-LLVKDONJSA-N	322.459	3.611	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)Cc1ccccc1F	161042648	GPHGZNIXGCOWPH-LBPRGKRZSA-N	304.340	3.595	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C3CC3)cnc2Cl)c1	281112564	HPLQNNXPGAPQMA-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)cc1)NNc1cccc(Cl)n1	492893710	MVRQFXIGOLTKCI-TWGQIWQCSA-N	308.168	3.545	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1C	728287658	VLLZTMJUXNBIIU-AFBNYWALSA-N	313.445	3.727	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)c2ccccn2)c1	729631593	KCOANTKYHLAUSN-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1c(F)cccc1F)c1ccccc1	731931595	LJPXEVWOXCWSRM-CYBMUJFWSA-N	302.324	3.609	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(OC)c1	741474920	UFKCXPOEUABIRG-GULXKOIASA-N	323.396	3.998	50	20	DHGD	
CC(Cc1ccccc1C)=NNC(=O)c1ccc2ccccc2n1	743418835	LSAUHHAAPUZGRQ-UHFFFAOYSA-N	317.392	3.892	50	20	DHGD	
CCc1nc(C(=O)NN(c2ccccc2)c2ccccc2)co1	753613066	VDZWXTIEXOTYDF-UHFFFAOYSA-N	307.353	3.720	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(F)cc(Cl)c1	757382838	SLEQLZOWEDNMRB-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
N#C/C(=C\c1ncccc1C(F)(F)F)C(=O)c1ccsc1	765502457	JORWIUNKIBNNKV-UXBLZVDNSA-N	308.284	3.952	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1cc2ccccc2o1	768038790	GXGNJMGSQMDEMN-OQLLNIDSSA-N	319.316	3.789	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1c(C)oc2ccccc12	768310334	AQMOPNDODPTWNV-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
Cc1cc(F)cc(NC(=O)NNc2nc3ccccc3s2)c1	770072548	APFLRIXCYHOHKL-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)c3nc4cccc(C)c4[nH]3)n2c1	771861294	WCQLNNYINZEVML-RIYZIHGNSA-N	313.364	3.892	50	20	DHGD	
CC[C@H](CC(=O)NNc1nccnc1C(C)C)c1ccccc1	772876872	LYSZNTCJFZQRJS-CQSZACIVSA-N	312.417	3.627	50	20	DHGD	
N#C/C(=C\c1nc2c(s1)CCCC2)C(=O)c1ccc(F)cc1	776266561	RSSUDFMIHMGAJJ-FMIVXFBMSA-N	312.369	3.951	50	20	DHGD	
O=C(C[C@H]1C=CCCC1)NNc1ccccc1OC(F)(F)F	779206960	HCOPJHAIOSTGNU-NSHDSACASA-N	314.307	3.775	50	20	DHGD	
N#CC1=CCN([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC1	779588101	VYEBVRZNFLGIIU-LJQANCHMSA-N	317.392	3.522	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ncnc(Cl)c2C(C)C)c1	798141952	DXGXMYZNIYBFNR-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CCCC1(C(=O)NNC(=O)Nc2ccc(C)cc2Cl)CCC1	802050088	ZDLVDNCVSOSUOE-UHFFFAOYSA-N	323.824	3.772	50	20	DHGD	
Cc1nc(-c2cccs2)sc1C(=O)NCC(Cl)Cl	808130554	DNQYLVOYSMMFND-UHFFFAOYSA-N	321.254	3.714	50	20	DHGD	
N#CCCCCCC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	808743223	WHADFSGPLAWSNQ-UHFFFAOYSA-N	313.313	3.522	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)Cc2ccc(C)cc2)cc1	817886169	XTNYAWGAUFBMSJ-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)N(C)CC(Cl)Cl	848082682	RSJLVEFIYORNML-SECBINFHSA-N	308.636	3.781	50	20	DHGD	
Cc1noc([C@@H](C)N(C)Cc2ccc(OCCCCl)cc2)n1	848926425	WZULGPPCPQSNPL-GFCCVEGCSA-N	323.824	3.579	50	20	DHGD	
Cc1nc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)oc1C	852522303	IBVSOJQFACITGU-AWEZNQCLSA-N	310.514	3.888	50	20	DHGD	
CCc1cc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)ncn1	853898020	YZUPSQBZTHBZCB-AWEZNQCLSA-N	307.514	3.640	50	20	DHGD	
CC[C@H](CNC(=O)NNc1cc(F)ccc1C)CC(F)(F)F	854172044	OLDJRRYCXDZLQB-JTQLQIEISA-N	321.318	3.739	50	20	DHGD	
C[C@@]1(CNCc2cc3ccncc3s2)C[C@@H]1Br	856809187	KHBHGLXKIABFHV-STQMWFEESA-N	311.248	3.559	50	20	DHGD	
CCc1ccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)cc1	856809756	FONUAZQZDRGAOQ-TZMCWYRMSA-N	311.223	3.544	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCOc2ccccc2)cc1	913228876	QCLCSFCHEKNPSX-JXAWBTAJSA-N	321.376	3.914	50	20	DHGD	
CCCCN(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	914576251	BCNSOGOYLXLQLM-WQRHYEAKSA-N	315.461	3.926	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(N2CCCCC2)c(F)c1	915966261	DTXVRHPLODIXGO-UHFFFAOYSA-N	319.424	3.702	50	20	DHGD	
COC(=O)NN=Cc1sc(Nc2ccc(C)cc2)nc1Cl	916268707	HMJGFHHMSHSMTQ-UHFFFAOYSA-N	324.793	3.538	50	20	DHGD	
CC1=CC(=NNC(=O)CSc2nc3ccccc3s2)CC1	916304179	AMEQQOGVAPDGEG-UHFFFAOYSA-N	317.439	3.601	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12	916583481	GMQVEQSFABHHPX-XRMRDTNMSA-N	319.836	3.791	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	916595051	YASZLTXFJPJKRF-GZTJUZNOSA-N	300.402	3.787	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)c1ccccc1Cl	1116685319	BHHJSDBRPQRCOB-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
O=C(NCc1ccc(OC(F)F)cc1)C1CCC(Cl)CC1	1263701479	FNQWQQSHCHAXSZ-UHFFFAOYSA-N	317.763	3.702	50	20	DHGD	
CC(C)CC(CC(C)C)C(=O)NNc1cccc(C(=O)O)c1	1591143438	RWVHDNZHZJQCSK-UHFFFAOYSA-N	306.406	3.536	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1605267063	XCQTZVBVFXZSFY-LBPRGKRZSA-N	324.396	3.964	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)cc1	6209553	LXZXYGKVKOLNDH-XNTDXEJSSA-N	321.336	3.703	50	20	DHGD	
C[C@H](CCOc1ccccc1)C(=O)NNc1c(F)cccc1F	80765139	MVYPDPOZUGXXNF-GFCCVEGCSA-N	320.339	3.513	50	20	DHGD	
CCCOc1cccc(NC(=O)NNc2ccccc2F)c1	92227999	KTUSYRUYYCXSCE-UHFFFAOYSA-N	303.337	3.763	50	20	DHGD	
N#CC(C#N)=CNc1ccc(Cl)cc1C(=O)c1ccccc1	108245841	SVMMMSJRCAZCBX-UHFFFAOYSA-N	307.740	3.914	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OC[C@@H]1CCCCO1	121784500	VBHHOJCKJOQUTH-STQMWFEESA-N	304.477	3.813	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(C#N)cc1)c1ccc(OC)cc1	152778625	BVASVUGZXYZGQR-HNNXBMFYSA-N	323.396	3.594	50	20	DHGD	
CC[C@H](C)C(=O)NNC(=O)Nc1cccc(-c2cccs2)c1	184731352	GQCNJRXYIIFEQC-NSHDSACASA-N	317.414	3.614	50	20	DHGD	
CC(C)[C@@H](N)CCN(C)C(=O)CCCC[C@@H]1CCSS1	236726518	LMMTWHROQINEAZ-KGLIPLIRSA-N	318.552	3.532	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC2(CCC2)CC1	367799897	CGDXXXCOSYWTJE-NSHDSACASA-N	302.256	3.589	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc2cc[nH]c12	490698463	RVYUUCJBQAJQND-YBEGLDIGSA-N	319.339	3.530	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)CC(C)(C)C)cc1OCC	728430823	GRPPYVPMABBUNS-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1cc(C)sc1C	731488190	YJQNSWRDZHQYSU-UHFFFAOYSA-N	302.399	3.528	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(Oc2cccnc2)c(C)c1	732713232	ZQEVQTHWTBXYKP-CYBMUJFWSA-N	311.385	3.679	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2cc3c(s2)CCC3)o1	732762949	ADXKFEKJBPMWQD-GXFFZTMASA-N	314.410	3.717	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C(C)C2CCCC2)cc1	733076235	HGHMEYXPRJNCEU-CQSZACIVSA-N	318.417	3.535	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1C	734093999	CRLNZMCQXLJOEN-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccccc1)c1ccccc1Cl	734275897	YYQVYCOOCBOWPR-UHFFFAOYSA-N	317.820	3.944	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	742347218	WXTSTMBCODIPGK-WQRHYEAKSA-N	320.392	3.996	50	20	DHGD	
Cc1cc(C=NNC(=O)C2CCCC2)c(OC(F)F)cc1C	743436191	UDPVDXKUEHJBCH-UHFFFAOYSA-N	310.344	3.545	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)[C@H](C)c1ccccc1	746366562	PGYXSZSEMGMHPX-HNNXBMFYSA-N	310.397	3.670	50	20	DHGD	
O=C(CC1(O)CCCCC1)NNc1cc(Cl)ccc1Cl	748507228	MWVPBCHUUMJZLK-UHFFFAOYSA-N	317.216	3.522	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(Cl)ccc1Cl)N(CC)CC	748512827	WQFVIPYSLZSTJE-ZDUSSCGKSA-N	318.248	3.557	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)c1ccc(C)o1	753176292	QXDRXTQHCRRICC-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc(-c2ccccc2)ccc1OC	756786988	LYZNUWYEOBUPJW-QGOAFFKASA-N	320.392	3.795	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(F)cc1	756889878	QEJXDZRARHCUPY-SNVBAGLBSA-N	320.751	3.704	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cnc1Cl	760209089	DDJARCVDOBNIJX-NTUHNPAUSA-N	300.720	3.972	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2c(F)ccc(C)c2F)c(C)c1	767083699	DIELKTWXBMDLQT-UHFFFAOYSA-N	304.340	3.955	50	20	DHGD	
CC1(C)C(=NNC(=O)CNc2ccccc2)C[C@@H]1c1ccccc1	768476031	HQSGQOJXRZTCAS-QGZVFWFLSA-N	321.424	3.784	50	20	DHGD	
CCC[C@@H](C=NNC(=O)c1ccc(C#N)cc1)c1ccccc1	769573211	BAYROSXCOCEDQZ-SFHVURJKSA-N	305.381	3.858	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1ccc(Br)c(F)c1	771680547	JGOHYULKUNIWGP-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1ccc(Cl)cc1F	773161895	IWPTWUJRAGMIMW-YHYXMXQVSA-N	303.724	3.609	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2ccc(F)cc2C)cc1	778932026	KJLWZGNCSLHLNB-AWEZNQCLSA-N	300.377	3.764	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)N[C@H]2CCCSC2)cc1	780841378	PBFQMOPRHYGUFD-AWEZNQCLSA-N	307.463	3.506	50	20	DHGD	
CC(C)[C@@H]1CCC[C@@H](NS(=O)(=O)CCCCCl)CC1	780847723	HZHZAKZFLZUEPE-ZIAGYGMSSA-N	309.903	3.530	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cc3ccccc3o2)c1	786051214	SEGGFJGDBMTKNP-GZTJUZNOSA-N	316.360	3.965	50	20	DHGD	
CSSCCNC(=O)N(C)[C@@H](C)c1cc(F)ccc1F	790880643	VQSVLGJNELPSBG-VIFPVBQESA-N	320.430	3.678	50	20	DHGD	
Cc1cccnc1NNC(=O)C1(c2cccc(Cl)c2)CCC1	791217432	RCWVDALRJFRVRV-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccccc1Br	795192835	NZFUMVLZQMYOOH-UHFFFAOYSA-N	323.190	3.922	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccnn1-c1ccccc1OC	797405810	INCBDHZFBMDKIN-YEQVNJDRSA-N	323.396	3.793	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1c[nH]c2ccccc12	799465928	NXXOHKVIDJLJAO-UHFFFAOYSA-N	305.328	3.709	50	20	DHGD	
CCCC[C@H](C)C(=O)NNC(=S)Nc1c(C)cccc1CC	800317060	UZFKUXFBDKWJLF-ZDUSSCGKSA-N	321.490	3.701	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	802820806	FCERVEPBFFEHDF-APHBMKBZSA-N	317.389	3.644	50	20	DHGD	
CCc1c(C(=O)NNc2cc(Cl)cc(Cl)c2)ccn1C	811446732	DKMMQZQOPSLKAA-UHFFFAOYSA-N	312.200	3.651	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)s1	812245273	POTMXLMGPSYBTI-BJMVGYQFSA-N	300.343	3.634	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@@H]1CC1(F)F	822142532	QSMYSCDFEAOHCB-YFKPBYRVSA-N	315.534	3.745	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@@]2(C)CC=CCC2)c(Cl)c1	831940229	RITLYQGGKDMIAN-INIZCTEOSA-N	321.808	3.548	50	20	DHGD	
CC(C)COc1ccccc1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	834438208	KGLOPSPAXFLKNT-FNTDYBJHSA-N	313.397	3.624	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCC2CC(F)(F)C2)cc1	835491860	NOZYCDYJXJEPCM-AUWJEWJLSA-N	321.323	3.581	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C2SCCCS2)cc1	841412943	HRTXKZUSZRSRMI-UHFFFAOYSA-N	310.488	3.623	50	20	DHGD	
CCCN(N=C(C)Cc1ccc(OC)nc1)C(=O)OC(C)(C)C	841637623	LGDAINHQKMCYAD-UHFFFAOYSA-N	321.421	3.656	50	20	DHGD	
C[C@@H]1C[C@H](C(=O)NNc2ccccc2Cc2ccccc2)CCO1	846464058	KTAYHEYSLBEPTH-CRAIPNDOSA-N	324.424	3.536	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CSCc2ccc(F)cc2)c1	857489829	CFZFHBKHVJGXEV-UHFFFAOYSA-N	318.417	3.819	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(-c2ccccc2)o1	864095876	KITKZRJOJQQESD-UHFFFAOYSA-N	322.339	3.779	50	20	DHGD	
CCn1cncc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	901437731	ULSVLPVNJIQDOU-XNTDXEJSSA-N	307.397	3.990	50	20	DHGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1ccncc1	916243200	MSWVFJHUNDFVTN-UHFFFAOYSA-N	315.376	3.629	50	20	DHGD	
COc1cc(C(=O)NN=C2CCCC[C@@H]2C)ccc1OC(C)C	916351566	KIROKWVANRJCNW-ZDUSSCGKSA-N	318.417	3.778	50	20	DHGD	
C=C(C)COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	916603241	JCSWGJKQCZITPT-CAOOACKPSA-N	300.402	3.787	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)C(=O)Nc1ccc(C)cc1	917578615	JUMCFSQDJLJGPW-UHFFFAOYSA-N	317.433	3.786	50	20	DHGD	
Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)c(O)n1	918017295	ZGNLTAIDIZXRFW-UHFFFAOYSA-N	319.364	3.579	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cncn1-c1ccccc1	1116193641	AXFIDDXLSBQTNP-CQSZACIVSA-N	324.428	3.804	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(C(C)(C)C)nn1)CC(C)(C)C	1321937614	QCNBKHBXOAKGJY-LBPRGKRZSA-N	306.454	3.680	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(OCc2ccccc2)cc1	14796410	ZUSSPPIJFGCPNG-SSZFMOIBSA-N	322.364	3.648	50	20	DHGD	
COc1ccc(-c2cc3nc([C@@H](C)Cl)[nH]c(=O)c3s2)cc1	53852681	PCTDEIJGUFNKPH-MRVPVSSYSA-N	320.801	3.960	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(/C#N)C(=O)Nc2ccccc2)s1	78007659	JXVBWKJSJHRSEE-XFXZXTDPSA-N	311.410	3.986	50	20	DHGD	
CC[C@@H](C)n1ncc(C(=O)NNc2cccc(C)c2)c1C1CC1	89689533	ZCJMNSQYWVSVAV-CYBMUJFWSA-N	312.417	3.797	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2ccc(F)cc2)c(F)c1	92601936	KNHYFUIUWKAEBR-UHFFFAOYSA-N	321.327	3.901	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1ccc2[nH]ccc2c1	92602465	DWUBVLHUEYTRFI-UHFFFAOYSA-N	300.749	3.970	50	20	DHGD	
CCc1sc(C(=O)NNc2ccnc3ccccc23)cc1C	106925352	BWWKNXHJIQTJBV-UHFFFAOYSA-N	311.410	3.924	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCC[C@H](C(F)(F)F)C1	113432272	ULEZGFKHKMTIPU-IUCAKERBSA-N	322.277	3.777	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(F)cc2)ccc1Br	114889176	WYVKOXGQMSCXFC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COCCC1(C(=O)NNc2cccc3c2CCCC3)CCCC1	120068764	WYGTVSZVNNVPHV-UHFFFAOYSA-N	316.445	3.605	50	20	DHGD	
Cc1cccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)n1	124296524	IFCNALWXDLMLTL-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1F	128119636	FUJHUPNXXJMFGY-GHXNOFRVSA-N	301.342	3.994	50	20	DHGD	
CCCn1ncc(C(=O)NNc2ccc(Cl)cc2)c1C1CC1	130446507	WPCOEMZGXIMRMK-UHFFFAOYSA-N	318.808	3.581	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)CCC(C)(C)C	130491007	UMUYFMDMQCQMIP-LLVKDONJSA-N	313.873	3.683	50	20	DHGD	
O=C(Cc1ccc(Cl)c(Cl)c1)NNc1ccccc1F	153081927	YPGSWWIZNACLKN-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CC(C)(C)c1nc(CC(=O)NNc2ccccc2Cl)cs1	158297663	WOECLYIIRXXYIP-UHFFFAOYSA-N	323.849	3.780	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	171982357	ANUWPXLXWTZDLA-FOWTUZBSSA-N	312.413	3.783	50	20	DHGD	
CS[C@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	172405011	BGYNPJBKQLVTKM-AWEZNQCLSA-N	308.353	3.512	50	20	DHGD	
O=C(/C=C/c1ccc(Cl)s1)NNc1c(F)cccc1F	178959262	PDHXDFDZOBJZGG-FNORWQNLSA-N	314.744	3.836	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	178969559	GRJXXZRYZPSKGR-VAWYXSNFSA-N	318.348	3.530	50	20	DHGD	
COc1ccc2nc(NNC(=O)c3ccccc3C)c(C)cc2c1	183184807	DHGBEHKSXGEEMD-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1ccc(Cl)cc1Cl	254764075	INEJWFGCUZUZNO-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
Cc1ncccc1/C=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1	255339223	KUVJMWLTOMWHIM-GHXNOFRVSA-N	315.735	3.728	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	490587360	GIMKGRIKXGYRGQ-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)NC1CCCC1	491100945	CAWSNXUSOYVCOM-CLFYSBASSA-N	314.332	3.733	50	20	DHGD	
CC(C)[C@@H]1CN(CCO[Si](C)(C)C(C)(C)C)CCCO1	616678454	GRPBMBPRXFUVSV-HNNXBMFYSA-N	301.547	3.755	50	20	DHGD	
C[C@@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C(C)(C)C	729932429	APKSQLMZUAFWDU-ZETCQYMHSA-N	315.200	3.641	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(F)cc1F)c1ccccc1	731931122	BVDHLTQPPSXMHA-OAHLLOKOSA-N	316.351	3.999	50	20	DHGD	
Cc1cccc(C(C)(C)CNC(=O)NN(C)c2ccccc2)c1	745187279	GWOHUQJBROZWRY-UHFFFAOYSA-N	311.429	3.623	50	20	DHGD	
COc1ccc(NNC(=O)c2oc3ccc(F)cc3c2C)cc1	746883252	MPYIFAOPIDVIBX-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(-c2ccccc2)ns1	748057027	CBPVKXLPHUKXFO-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)C(=NNC(=O)CSc1ccc(Cl)cc1)C1CC1	750923601	ZHBOCRSFGSZPCC-UHFFFAOYSA-N	310.850	3.970	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C(C(C)C)C2CC2)c1C	750930214	ILCVUUMEPHYAMC-AWEZNQCLSA-N	302.418	3.609	50	20	DHGD	
CC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	751956251	QBUYUXGCQFAUCX-LYPXWFNGSA-N	322.383	3.870	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(O)cs1	752807721	LZEUOCFQYKXOAG-UHFFFAOYSA-N	303.170	3.517	50	20	DHGD	
Cc1cc(Cl)cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c1	753313985	VWFVVEYGDNKJED-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761392474	MTJJMGLWKZCZDY-VMPITWQZSA-N	303.214	3.878	50	20	DHGD	
CC(=O)c1cccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)c1	769657286	GWSDZAATSWJHPK-UHFFFAOYSA-N	313.309	3.633	50	20	DHGD	
CC(C)n1ncc2cc(NC(=O)NNc3ccccc3)ccc21	770032129	JYSCVKMWDSEQMH-UHFFFAOYSA-N	309.373	3.766	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2c(C)cccc2F)c(C)c1	771707252	MUFGQPMCIMVLBS-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3ccccc3F)n2c1	771847259	GJPXCUZPNMZELT-MDWZMJQESA-N	305.312	3.572	50	20	DHGD	
CCCc1cccc(C=NNC(=O)CNc2ccc(C)cc2)c1	774321669	VOFGUOHNYIXMQK-UHFFFAOYSA-N	309.413	3.510	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CC1CCSCC1	777482019	RRXSLFSECAETSF-UHFFFAOYSA-N	315.442	3.520	50	20	DHGD	
Cc1cnc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c(C)c1	779984170	RDAWZDZPGXCGMK-UHFFFAOYSA-N	322.320	3.979	50	20	DHGD	
C[C@@H]1CCN(S(=O)(=O)CCCCCl)CC12CCCCC2	780840452	HLFZHDFHPADOMY-CQSZACIVSA-N	321.914	3.628	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CCc2c(Cl)cccc21	790687855	AISPQWFMUHJASK-GFCCVEGCSA-N	316.879	3.638	50	20	DHGD	
Cc1ccccc1-c1nc(C(=O)NNc2ncccc2C)cs1	791216189	KGTCOBUQAAEFKI-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)CC(C)(C)C1CCCCC1	792829666	QWARBCOWUUWERL-UHFFFAOYSA-N	316.445	3.753	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=CCCc1ccccc1	794784382	CHPSONVMASYMKJ-UHFFFAOYSA-N	316.788	3.697	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1cc(C)c(Br)s1	794897742	VGJRCQXZZZGMKY-ZETCQYMHSA-N	317.252	3.705	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1ccc(F)cc1	794940089	VXBPRHCJMWBQEI-YFHOEESVSA-N	303.239	3.599	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H]1C[C@H]1c1sccc1C	795562044	NCNFVKBEHOHJMC-GHMZBOCLSA-N	315.232	3.654	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)ccc1C#N	799494710	FQLUCFQBYOTMMO-OQLLNIDSSA-N	314.348	3.518	50	20	DHGD	
CCCN(NC(=O)c1csc(Cl)c1)C(=O)OC(C)(C)C	804595034	FMMCFKHVPFNLHO-UHFFFAOYSA-N	318.826	3.693	50	20	DHGD	
O=C(/C=C\c1cccc(CCl)c1)c1cccc(-n2ccnn2)c1	806575844	NRCSQLPNDOYEMK-FPLPWBNLSA-N	323.783	3.902	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=C2CCc3c(O)cccc32)cc1	812427664	BKHYHFYANMTWDT-UHFFFAOYSA-N	322.408	3.770	50	20	DHGD	
CC(C)[C@H]1N(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC12CCC2	816798508	OIOPMLDYVDIKEW-IUYQLWOBSA-N	312.388	3.770	50	20	DHGD	
Cc1cnc(SCCO[Si](C)(C)C(C)(C)C)nc1O	849902727	CSLZHWKYUYOGBP-UHFFFAOYSA-N	300.500	3.605	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc3c(c2)CCOC3)cc1	854882457	IGNLVHLRENKVRX-UHFFFAOYSA-N	310.397	3.640	50	20	DHGD	
CC(C)SCC(=O)NNc1nc2ccc(Cl)cc2s1	856233979	IKQRUCNPKCECGU-UHFFFAOYSA-N	315.851	3.534	50	20	DHGD	
C[C@@H](NC=C(C#N)C#N)c1ccccc1OCc1ccccc1	918725484	FGULOTKANLOMMD-OAHLLOKOSA-N	303.365	3.847	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@@H]2CO)cc1	934015397	XMXARDTUUCBYGT-QGZVFWFLSA-N	321.537	3.775	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3ccncc3)o2)cc1	1118063364	QUQVIQXXOWZQLS-PTNGSMBKSA-N	318.336	3.594	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)c1ccc(F)c(F)c1	1320012147	SKRWDCUSBSHAKI-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1ncnc2scnc12	1327672275	CXSJDIMPCDPBTR-UHFFFAOYSA-N	324.526	3.544	50	20	DHGD	
Cc1cccc([C@@H]2CCCN2C(=O)C2CCC(Cl)CC2)n1	1346688852	RMVWCXBBMZQFOL-XUJLQICISA-N	306.837	3.851	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	55040156	BQQFVVLYTFIUSN-RAXLEYEMSA-N	309.325	3.518	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(Br)cs1	57405697	XMTFFZWSZXLPHS-UITAMQMPSA-N	314.204	3.761	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)SCc2ccccc2)c1	78934569	PDHKBWBTYNLSLU-CQSZACIVSA-N	300.427	3.760	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ncc(Cl)cc1Cl	132723259	TYVGCBKJBAYZKM-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C=CCC1(C(=O)NNc2ccccc2Br)CCC1	189661875	WSUKMWVHNUSPCI-UHFFFAOYSA-N	309.207	3.639	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cc(Cl)ccc1F	192095621	HTFLICSKFKYGOD-XYOKQWHBSA-N	301.770	3.558	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1)C(=O)Nc1ccc(F)c(Cl)c1	211590304	LVKVXJKEKUNQGL-WDZFZDKYSA-N	316.719	3.730	50	20	DHGD	
COc1cc(F)cc(NNC(=O)/C=C\Sc2ccccc2)c1	255027695	RBHSVKRNJOQZCD-FPLPWBNLSA-N	318.373	3.583	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3ccc(Cl)nc3)CC2)c1	266525681	LFKQAIRQYVPILY-UHFFFAOYSA-N	315.804	3.527	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2c(F)cccc2F)cc1C	271902919	WVVATAMMIPAQMM-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
CC[C@@H]1C[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCO1	276923043	WSLCNYUBOFHWLM-NOZJJQNGSA-N	317.216	3.642	50	20	DHGD	
C[C@H](CN(C)C(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	491010013	LFQYSGSTEIDSKF-GYZOOYGHSA-N	320.392	3.561	50	20	DHGD	
CN(N=Cc1ccc2ccc(F)c(F)c2n1)C(=O)OC(C)(C)C	495723029	YXBJEQMQCWCNIN-UHFFFAOYSA-N	321.327	3.714	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)s1	731155736	RJXWJGNSXQRMHZ-VNWYAGLLSA-N	302.443	3.912	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccnc2ccccc12)c1ccccc1	731932135	ZSBGVNDJXBXTPV-KRWDZBQOSA-N	317.392	3.879	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2nccc3sccc23)c1	734249416	YILLQSPYSJVNGD-UHFFFAOYSA-N	311.410	3.599	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)NC1CCCC1	734429194	FEWIFFUQFOEVJH-MRXNPFEDSA-N	323.481	3.502	50	20	DHGD	
Cc1cccc(N(C)S(=O)(=O)c2ccc(CCl)cc2)c1C	742255329	DGKFLYNZXWXIIC-UHFFFAOYSA-N	323.845	3.867	50	20	DHGD	
O=C(NN=Cc1cccc(F)c1F)c1ccc(Cl)cc1F	747646172	LUDHBJXOBMZLJH-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc2[nH]ncc12	748008321	UIZWFVCPBGCGDT-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
C[C@@H](Cc1ccncc1)NC(=O)CCCC[C@@H]1CCSS1	749488868	LUDNNMRIFKTZME-DZGCQCFKSA-N	324.515	3.843	50	20	DHGD	
CN(Cc1ccc2c(c1)OCCO2)/C(=C\C#N)c1ccc(F)cc1	750791037	KVIBBGYXUGRFEY-IUXPMGMMSA-N	324.355	3.593	50	20	DHGD	
Cc1cccc(-c2nc(C)c(C(=O)NNc3ccccc3F)[nH]2)c1	757127799	YUVKVGLCDOWNHO-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2cc(C)ccc2C)ccc1F	757140794	FSOAKYFAPQABDI-UHFFFAOYSA-N	314.360	3.792	50	20	DHGD	
N#C/C(=C/c1cncc(Br)c1)C(=O)C1CCCCC1	767351618	FSQSYXGVBAFYBQ-MLPAPPSSSA-N	319.202	3.900	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)cc1	771596768	NBZJDMILDQIBJI-UHFFFAOYSA-N	317.320	3.614	50	20	DHGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=CC(C)(C)CCC#N	773092787	BZOSBGACSDXJDH-GFCCVEGCSA-N	321.808	3.539	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)c1C	773169381	AMEDUXSFRYESRX-NTUHNPAUSA-N	315.323	3.588	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cnc2ccccc2n1	774776092	QAXIJSPZGMYFEQ-CQSZACIVSA-N	312.417	3.679	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)c1ccc2sccc2c1	774795556	DBMJTZLZZDNLDV-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc4cnccc4c3)nc12	782341182	IENRBPBNHWPNQZ-SXGWCWSVSA-N	311.348	3.879	50	20	DHGD	
C=C(CBr)CN(CC1CCC1)CC(F)(F)F	791474764	XBWXSXRCMJKPKU-UHFFFAOYSA-N	300.162	3.602	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc(SC(F)F)cc1	792197147	YDZBCEXOLTUGTD-UHFFFAOYSA-N	324.356	3.853	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)F)cc1)c1cc2c(s1)CCC2	794472097	XYINAGRIESJBNT-UHFFFAOYSA-N	320.364	3.938	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCC[C@@H]1CCCCO1	799622018	CVAKGYAQWJJGBF-INIZCTEOSA-N	319.449	3.533	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2nccnc2C2CCC2)cc1	805467212	PIRCHBKRLNZRJA-CYBMUJFWSA-N	324.428	3.553	50	20	DHGD	
C=CC[C@H]1N(C(=O)NCCSSC)CCCC1(C)C	807234507	JZODLWCFONKCCB-GFCCVEGCSA-N	302.509	3.774	50	20	DHGD	
CC(C)(CCC#N)CNC(=O)NNc1ccc(C(C)(C)C)cc1	807593009	LNRBVUNIWPWRHI-UHFFFAOYSA-N	316.449	3.940	50	20	DHGD	
CCc1ncc(NC(=O)NNc2c(C)cccc2C(C)C)cn1	812955382	HFENOYVOOSFWSK-UHFFFAOYSA-N	313.405	3.619	50	20	DHGD	
CCC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(F)cn1	814810355	JBILQKYVNZUYQR-UHFFFAOYSA-N	321.355	3.918	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc2ccc(F)c(F)c2n1	814826263	SCOOUKCNTCYCLC-UHFFFAOYSA-N	317.339	3.543	50	20	DHGD	
O=C(NN=C1CC(c2ccccc2)C1)c1ccc(O)c(Cl)c1	814849597	CFMPQPGVUTURHH-UHFFFAOYSA-N	314.772	3.709	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2nc3c(C)cccc3s2)o1	828362294	GLMTZTHZVWHVDB-NSHDSACASA-N	315.398	3.753	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)Cc2cccc3ccccc23)CC1	834938824	NAZCZZOORBFNIZ-UHFFFAOYSA-N	319.408	3.958	50	20	DHGD	
Cc1noc(C)c1[C@H](C)NC(=O)NNc1ccc(C(C)C)cc1	838472845	RNGRVWMBAURNEA-NSHDSACASA-N	316.405	3.802	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)CC1	844133944	HGJBDOUSUNJXIO-LLVKDONJSA-N	313.323	3.680	50	20	DHGD	
COc1cc(F)c(/C=C(/C#N)c2nc(C)c(C)s2)cc1OC	844548042	MMUJAZNIEVEJAZ-XGICHPGQSA-N	318.373	3.980	50	20	DHGD	
C[C@H]1CCCCCC1=NNC(=O)CSc1ccccc1O	844599316	CNRGRSUGZXXBPB-LBPRGKRZSA-N	306.431	3.557	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccc(Br)c(F)c1	845952396	ACZOBPCWJDXQDP-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
COC[C@@H](C)Oc1ccc(/C=C(\C#N)c2nc(C)cs2)cc1	853002893	YIJRXTRJFDAPQA-MGMWDDNKSA-N	314.410	3.929	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1cc(F)cc(Cl)c1	855619127	DPOXXZZEOYRYJJ-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ncccc1Cl	894960292	AQKSQOXEKDLDEH-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC#N)c(C)n1C1CCCCC1	899893263	XKONKVNYCRNHJG-ATVHPVEESA-N	324.428	3.547	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccc2ccccc2n1	916244290	QSJPFQBBNJDRLX-QXSJWSMHSA-N	319.408	3.777	50	20	DHGD	
O=C(NCC1([C@@H]2CCCCO2)CCC1)c1cccc(CCl)c1	1120683571	FCTCLBNYDZRSKN-INIZCTEOSA-N	321.848	3.895	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cccc(C(F)(F)F)c1	66326313	CZNJDWSWXXARDS-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CC[C@H](NNC(=O)c1cccc(OC(F)F)c1)c1ccccc1	112543005	XKYGOPWZMQSKFA-HNNXBMFYSA-N	320.339	3.674	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NNc1ccncc1Cl	121340785	QMEYXOVXVGTBJA-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(Cl)c2cccnc12	154508554	CBKVKWOQTAXMMH-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)Nc1ccccc1Cl	158698150	GUENBBDIGFKXFO-XFFZJAGNSA-N	316.719	3.730	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1cccc(Cl)c1	178572616	HLOOCBHTJUUORF-QWHCGFSZSA-N	306.818	3.957	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1C	207518075	WAIFQVRWOKIIDH-BRYHAGSVSA-N	320.392	3.788	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)on1	272793624	IALJXVOZSUITJI-UHFFFAOYSA-N	301.390	3.852	50	20	DHGD	
N#C/C(=C\c1cccc(CCl)c1)c1nnc2n1CCCCC2	282263750	UQXYCPVVRHWSPG-XNTDXEJSSA-N	312.804	3.807	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC1CCC(F)(F)CC1	490938420	FFLBDYJHIIAHJW-NTEUORMPSA-N	322.330	3.674	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)Cc1nc(C)cs1	725859396	VVMOXSAFTBIXJA-CYBMUJFWSA-N	307.463	3.869	50	20	DHGD	
Cc1cc(C=NNC(=O)C2CCCC2)ccc1Oc1cccnc1	732712376	DUDCXARREUCWFZ-UHFFFAOYSA-N	323.396	3.823	50	20	DHGD	
O=C(NCc1ccc(Cl)cc1)NN=C/C=C/c1ccccc1	732925433	KZJSYOMVMBPTJO-QQGHRWSRSA-N	313.788	3.838	50	20	DHGD	
O=C(NCCC1=CCCCC1)NNc1cc(F)c(F)c(F)c1	746741023	DARZZFRAWIFFKP-UHFFFAOYSA-N	313.323	3.621	50	20	DHGD	
C=CCCC(=NNC(=O)c1ccc(CN(CC)CC)o1)C1CC1	747753624	KJVBABYCZCLHHN-UHFFFAOYSA-N	317.433	3.583	50	20	DHGD	
Cc1cc(OC(=O)c2ccc3ncccc3c2)ccc1[N+](=O)[O-]	748610014	ZUSDBFJMXXLTPU-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(Cl)nc2)c1C	748995022	UYTAZOQGDFSLMZ-ZSOIEALJSA-N	311.772	3.898	50	20	DHGD	
CCCCC=NNC(=O)Nc1cc(Cl)c(OC)cc1OC	755747441	VUOVKZSXKGXTOA-UHFFFAOYSA-N	313.785	3.655	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccc([N+](=O)[O-])cc2)o1)c1ccncn1	758914888	WRBVDPYBEJZBAJ-UKTHLTGXSA-N	318.292	3.709	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@H]2CC[C@H](C)C2)c(Cl)c1	759490565	RQYBMRVJYGNCSK-JQWIXIFHSA-N	323.824	3.627	50	20	DHGD	
Cn1cnc2cc(/C=C(/C#N)c3nc4ccccc4n3C)ccc21	761202013	UEKPIJXMTMSRJQ-ZROIWOOFSA-N	313.364	3.524	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)C(F)=C1CCCC1	763019804	ILNNGMGMQNMAOX-UHFFFAOYSA-N	302.271	3.946	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1Cl	766428056	BFSVZJFAQQMURV-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
O=C(CCc1ccco1)NNc1ccnc2cc(Cl)ccc12	767226661	KHFPFXWMLALABC-UHFFFAOYSA-N	315.760	3.557	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@@H](C)[C@@H](C)C2)cc1OC	767366364	DPBZUUAZQGKSCJ-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cccn2)cc1)C(=O)C1CCCCC1	767735215	AFOMNOHFKVOXDH-LGMDPLHJSA-N	305.381	3.929	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C2CCC2)cc1	772891237	OCOCYUINASZHDA-UHFFFAOYSA-N	310.401	3.624	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1nc2ccccc2[nH]1	776233005	WLNGSJDEAGAPGC-AWEZNQCLSA-N	322.412	3.665	50	20	DHGD	
CC(C)(C)[C@@H]1CCC[C@H](NC(=O)NNC(=O)C2CCCC2)CC1	780718914	AOZBWFFBAFRHRS-CABCVRRESA-N	323.481	3.502	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC[C@@H](C)[C@H]1C	781126732	CYRZFJIDOLONHI-CHWSQXEVSA-N	320.458	3.716	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(C(F)(F)F)s1	795021179	NQEKXIHORDEKSL-UHFFFAOYSA-N	304.268	3.663	50	20	DHGD	
CSC1(C=NNC(=O)c2cc(C)nc3ccccc23)CCC1	800804605	DUDOIOJYDCBJTL-UHFFFAOYSA-N	313.426	3.545	50	20	DHGD	
O=C(C=C1CCC1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802039140	YMEHRRKTHVIUKA-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
O=C(NNc1ccccc1)NC1[C@H]2CC[C@H]1Cc1ccccc1C2	807575984	NFZHGKMPIIZLDO-IRXDYDNUSA-N	321.424	3.506	50	20	DHGD	
CCc1c(C(=O)NNc2c(Cl)cccc2Cl)ccn1C	810562215	FGYHPNZTKCVLHL-UHFFFAOYSA-N	312.200	3.651	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(C(C)C)cn2)ccc1Cl	811473364	WWIQRABMIWOBCP-UHFFFAOYSA-N	319.792	3.624	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CCCCC23CCCC3)c1	813236544	MGHMZLDQBZZWNQ-MRXNPFEDSA-N	312.417	3.687	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1cc(-c2cccs2)[nH]n1	814876020	GJXLQMTXNMQHHB-UHFFFAOYSA-N	316.430	3.990	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)ccc1Cl	830095583	AMYDCZOKLZSBFR-WFASDCNBSA-N	310.825	3.543	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)c1	830786444	RDAJYKJRJKXDID-LLVKDONJSA-N	301.217	3.721	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2nnc(C(C)(C)C)s2)cc1	837059539	VGCFJMZTSVENCX-UHFFFAOYSA-N	318.446	3.716	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@]2(C)C[C@@H]2c2ccccc2)cc1	839777713	LOBIUUJQRWLIGS-MJGOQNOKSA-N	310.397	3.722	50	20	DHGD	
CCc1cnc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	852525356	YGSBOSXJOLNXSR-CQSZACIVSA-N	310.514	3.833	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1nnc(-c2ccccc2)o1	853293195	AXDUDHHOJFNFFD-CYBMUJFWSA-N	324.384	3.589	50	20	DHGD	
CC[C@@H](CNC(=O)NNc1cc(F)ccc1C)CC(F)(F)F	854172045	OLDJRRYCXDZLQB-SNVBAGLBSA-N	321.318	3.739	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1sc(CC(C)C)nc1C	855367227	NGCCRXRWTTXLSX-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NC[C@]1(C)C[C@@H]1Br	857393110	IXGILNGZZPHPQU-BBRMVZONSA-N	324.262	3.562	50	20	DHGD	
CC[C@@](C)(NC[C@H](CBr)C1CC1)c1nccs1	859194461	GSHALJCJNZISQI-WCQYABFASA-N	317.296	3.779	50	20	DHGD	
N#C/C(=C\c1ccc(F)c2ccccc12)C(=O)[C@H]1CCCOC1	864366456	SFLCHCBBOFVYTH-GWQWUEFDSA-N	309.340	3.882	50	20	DHGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccnc1	869461281	CZQONHDFKOGXTK-TZQJONAQSA-N	324.218	3.640	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(Cl)cc2F)c1C	885107261	BENRSGIVTKLPAA-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
CCN(C[C@@H](C)C#N)C(=O)CCCC[C@H]1CCSS1	919884113	LCRJSBOVKHZPEB-STQMWFEESA-N	300.493	3.709	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cnn(C3CCC3)c2)c(Cl)c1	934307609	BFYVGFMCDUHKFU-UHFFFAOYSA-N	319.796	3.719	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(SC(F)F)cc1	55105053	KONLSCTYMLCVFK-UHFFFAOYSA-N	312.316	3.897	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	101800091	SRMALHYZDOYOHG-ZDLGFXPLSA-N	307.397	3.844	50	20	DHGD	
COc1cccc([C@H](C)C(=O)NNc2ccc(Cl)cc2)c1	120153810	NDVCQWRXOQGFOV-NSHDSACASA-N	304.777	3.595	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(OCC2CC2)cc1	120236136	RBGJWJMOACOIHJ-UHFFFAOYSA-N	316.788	3.886	50	20	DHGD	
O=C(CCc1cccc(F)c1F)NNc1ccc(Cl)cc1	120324242	ZMDCZSXCBJFDNB-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
CC[C@H](CC(=O)NNC(=O)CC1CCCC1)c1ccc(C)cc1	130744775	LAGZCBSALYGMSN-MRXNPFEDSA-N	316.445	3.606	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(Nc2ccccc2)c1	136287853	OCQZFDXEEAYVSM-BUHFOSPRSA-N	307.353	3.813	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CCCc2sccc21	136604804	HDNKMGIWJQLBSE-GFCCVEGCSA-N	323.368	3.730	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1C[C@]12CCCc1ccccc12	152998592	CMCSDWXYEGTXBL-KXBFYZLASA-N	310.372	3.563	50	20	DHGD	
O=C(CCCc1c[nH]c2ccccc12)NNc1cccc(F)c1	154064875	JKGOPWMSRZZXQL-UHFFFAOYSA-N	311.360	3.773	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1cccc(F)c1	154120074	IDJAKFOFCSPYRA-CQSZACIVSA-N	322.767	3.780	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(Cl)c(Cl)n1C	160666756	QHNVWCAULVDFES-UHFFFAOYSA-N	316.163	3.536	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)Nc2ccccc2)s1	172521841	JXVBWKJSJHRSEE-FMIVXFBMSA-N	311.410	3.986	50	20	DHGD	
CCOC[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	175545805	GIMYKEQJEABIBY-ZIAGYGMSSA-N	317.520	3.586	50	20	DHGD	
O=C(COc1ccccc1)NNc1ccc(Cl)cc1Cl	178884098	VHLZQTOEUITMQN-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(OC)c(F)c2)c1	212638284	CNHAUAIYTSKUFW-ZSOIEALJSA-N	311.312	3.633	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1OC	213902648	BRBVBNUPOXJJPT-PTNGSMBKSA-N	322.364	3.558	50	20	DHGD	
N#C/C(=C/c1cc(O)ccc1Br)c1ccccn1	255213300	MOHQRBIPXQAYFD-XFFZJAGNSA-N	301.143	3.614	50	20	DHGD	
CC(C)c1[nH]ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	285667756	DTYVYQRQULKXCH-UHFFFAOYSA-N	311.307	3.914	50	20	DHGD	
C[C@H](CBr)CN(C)CCCOCc1ccccc1	383894993	KRBWHDFYCMWUFH-CQSZACIVSA-N	314.267	3.556	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1F	588619193	OCGISKDWCKBIHY-LCYFTJDESA-N	305.312	3.842	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2noc3c2CCCC3)cc1	731235739	KNTIXBLLYCLSRC-GDNBJRDFSA-N	322.364	3.512	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2nccc3sccc23)C1	734250150	OLEOQFYBWODAJG-RYUDHWBXSA-N	303.431	3.956	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)C2CCC2)o1	734298660	BMEGKPRZMGUFPP-UHFFFAOYSA-N	300.333	3.644	50	20	DHGD	
Cn1cc(C(=O)NN=C2CCCCCCCCCCC2)cn1	735411298	WJGFWUYSTZPUSD-UHFFFAOYSA-N	304.438	3.811	50	20	DHGD	
C=C(Cl)CNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	736246793	MDOBPAXJPHHJFM-FRKPEAEDSA-N	319.836	3.537	50	20	DHGD	
Cc1cccc(F)c1CNC(=O)NNc1ccccc1Cl	745890337	WGNBTCSCXLQSLV-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)[C@@H](C)c1ccccc1	746366503	OLGJECDUAGDZAC-OAHLLOKOSA-N	309.413	3.703	50	20	DHGD	
CC(C)CC[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746742409	LZQQWMZIAJIJBN-SECBINFHSA-N	303.328	3.555	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746888796	FNOVPUAPBQFDOK-UHFFFAOYSA-N	313.323	3.846	50	20	DHGD	
CN(Cc1ccccc1)CC(C)(C)C=NNC(=O)c1ccccc1	747623979	GKVCFBAUPZUSJY-UHFFFAOYSA-N	323.440	3.560	50	20	DHGD	
CCCC1(C(=O)NNc2ccccc2Br)CCC1	748070499	QAMIXVMQEZUIHT-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1CCCSC1	748735000	MJCOCPDUJSUFCJ-NWDGAFQWSA-N	305.534	3.712	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(Br)cc2C)c1	748750543	ILIMNXIKGPJMIW-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3ccccc3o2)c(C)n1C1CC1	749817924	PCJGKUSLIAYTRG-UHFFFAOYSA-N	321.380	3.950	50	20	DHGD	
C=CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	752986844	VDYDLODHITWYAK-SAPNQHFASA-N	312.413	3.942	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3c2)c(C)n1C	754932823	PAYMJPGJQYUJMT-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1cc2ccc(C)cc2o1	754943918	VDVJQNMEOQJBRQ-UHFFFAOYSA-N	317.348	3.767	50	20	DHGD	
CC[C@H]1CC(=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CCO1	756823524	KCWIUHMVSXIACW-FZMZJTMJSA-N	320.458	3.548	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CC=CC2)c1C	760038038	UNUDBQVREVEPED-SFQUDFHCSA-N	311.429	3.647	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(C)sc1C	760239234	IXDVNPXRVOYKAW-UHFFFAOYSA-N	322.817	3.791	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cc(C)oc2C)n1	767886510	HWVWOARQASJDQH-SDQBBNPISA-N	302.355	3.594	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)c1c(F)cccc1F	770407002	HKCHAQWXPWXVEO-RKDXNWHRSA-N	321.161	3.643	50	20	DHGD	
Cc1ccccc1-c1nc(C)c(C(=O)N2CC=C(C#N)CC2)s1	775895924	PLCYASMCKSFZBD-UHFFFAOYSA-N	323.421	3.723	50	20	DHGD	
O=C(NNc1ccccc1)C1(Cc2ccccc2Cl)CC1	784446471	JOBKVMJNHFMHOK-UHFFFAOYSA-N	300.789	3.806	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)cc1	786056654	PWGZKSZVQQCJNZ-UNOMPAQXSA-N	304.393	3.781	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2ccc(C3CCC3)cc2)c1	786226559	HEZQZEOSPDBEAS-UHFFFAOYSA-N	306.369	3.974	50	20	DHGD	
CSC1(CNC(=O)NNc2cc(Cl)cc(Cl)c2)CC1	789285032	OVEICEAEHGYHOU-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccnc(Br)c1	793834697	MVBDXALSKWLMKQ-ZDUSSCGKSA-N	314.227	3.504	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	793850864	JGLKCDFOLJBVDE-PWSUYJOCSA-N	315.339	3.760	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)c1cc(Cl)cc(Cl)c1	794690671	INIAOMPWCBZBHP-VZUCSPMQSA-N	320.179	3.825	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccccc1	794864229	CFZQCFOJLMFZJP-LGMDPLHJSA-N	313.360	3.971	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2ccccn2)c(-c2ccnn2C)c1	801647500	LFAMXDWLIHPPEC-FOWTUZBSSA-N	300.365	3.855	50	20	DHGD	
CC(C)(C(=O)NNc1nccnc1C1CCC1)C1CCCCC1	805468330	ORVJABCDRJASFR-UHFFFAOYSA-N	316.449	3.794	50	20	DHGD	
CCCC(=NNC(=O)c1cn(C)c2ccccc12)c1ccccn1	814777056	LAWPEWLKBCRWFX-UHFFFAOYSA-N	320.396	3.508	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3cccc(Cl)n3)cc2c1C	817008803	IJEWWCYGGOEQRY-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1ccc(C(C)C)cc1	837057877	HRQVETLVQLWWEN-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
CCCCCCO[C@@H](C)C(=O)NNc1cc(F)c(F)cc1F	839683848	QHYZEHYLBOOECT-JTQLQIEISA-N	318.339	3.532	50	20	DHGD	
CCCC1(C(=O)NNc2ncnc(Cl)c2C(C)C)CCC1	840547416	NSFHORHNPICWKW-UHFFFAOYSA-N	310.829	3.667	50	20	DHGD	
CS[C@@H](C)CC(=O)NNc1ccccc1Cc1ccccc1	846463312	DKUNWYKERFKANJ-AWEZNQCLSA-N	314.454	3.862	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(F)(F)c1cccc(Cl)c1	848081371	VHGUUZUSLKZPQC-UHFFFAOYSA-N	316.562	3.694	50	20	DHGD	
CCCn1nccc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	853007539	BLQVOILKHGCZMG-FLIBITNWSA-N	306.291	3.771	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)c1ccc(C2CCC2)cc1	855466602	RSJDDFAATCETLX-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
C[C@]1(C/N=C\c2cc3ccccc3nc2O)C[C@H]1Br	856718757	NTWPHHWFIAKUHW-YYQAZWIQSA-N	319.202	3.533	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1[C@@H]2Cc3ccccc3[C@H]21	860322632	LXNABNYORJKIFO-MISYRCLQSA-N	318.420	3.594	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2nc(C)c(C)[nH]2)cc1	901419223	WYIDJCBRGWZJFQ-WJDWOHSUSA-N	322.412	3.915	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(C(C)(C)C)cc1	916264214	DHWNSLQDOXIIHP-UHFFFAOYSA-N	309.413	3.720	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1ccc(Cl)cc1Cl	916270055	OTLHBHXGLPHNBS-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
C[C@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1CCC(Cl)CC1	1123693064	ZXMMBIFMZZLTPD-WNYYMSAVSA-N	311.775	3.973	50	20	DHGD	
CCn1ccnc1[C@@H](C#N)C(=O)CCCC[C@H]1CCSS1	1263617063	SRCHTKQRBQJHFB-STQMWFEESA-N	323.487	3.793	50	20	DHGD	
O=C(NCC1(c2cccc(F)c2)CC1)C1CCC(Cl)CC1	1519569585	LGJJROJHIZPJQC-UHFFFAOYSA-N	309.812	3.771	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(F)c(C(=O)O)c1	1609964348	GZZFGCDFRIYMES-UHFFFAOYSA-N	310.369	3.574	50	20	DHGD	
N#C/C(=C\c1c(Cl)nc2ccccn12)C(=O)c1ccsc1	44027905	SVLKFDOARSGJAL-YRNVUSSQSA-N	313.769	3.839	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)c1nc(-c2ccncc2)cs1	63412564	SNNJUDDJXBHRRP-NTEUORMPSA-N	305.362	3.975	50	20	DHGD	
N#CC(C#N)=CN[C@@H](c1ccccc1)c1ccc2c(c1)CCCO2	107067261	CRMYVKKMSMZSGW-FQEVSTJZSA-N	315.376	3.622	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc2c(s1)CCCCC2	114885740	UKBPGDGEXOPRBM-UHFFFAOYSA-N	321.833	3.822	50	20	DHGD	
O=C(CCC1CC1)NNc1ccc(Br)cc1Cl	115712325	HFVBBNSVUZHXOT-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3cccnc3Cl)cc2c1C	128580149	XAXDNJFWQDABJL-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2ccccc2)nc1	155029936	NJHDGDAUAASQJG-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
O=C(CCSCc1ccccn1)NNc1ccccc1Cl	158433634	LEFCBQQBLFGJNM-UHFFFAOYSA-N	321.833	3.502	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1ccccc1C(F)(F)F	178321200	MDYICGJMTBEVOR-UITAMQMPSA-N	323.299	3.708	50	20	DHGD	
CSc1ccccc1C(=O)NNc1cccc2cnccc12	178476343	PYDHCBOLIOEYFP-UHFFFAOYSA-N	309.394	3.714	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2ccc(Cl)cc2)cc1C	179893851	QCRZGFALCSLTCK-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CCN(C[C@@H](C)CBr)[C@H](C)c1cccc(O)c1	248751785	SSXMRQKMWQSZME-NWDGAFQWSA-N	300.240	3.806	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cccc2ccccc12	254345639	IWZIBWBROAGNTM-UHFFFAOYSA-N	303.365	3.576	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1cccs1	254382344	UYXVENLCHCCRDJ-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2sccc2C1	255872346	KEILXSZILQVHKE-PJQLUOCWSA-N	311.366	3.579	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(Cc2ccccc2Cl)CC1	294475317	RHAGLINATJVCKW-UHFFFAOYSA-N	306.620	3.583	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2ccc(Cl)s2)cc1	294478806	WDLBFXCLQINQFC-UHFFFAOYSA-N	324.833	3.876	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(c2cccnc2)CCCC1	366263181	JYTYSWPSGQWTLI-UHFFFAOYSA-N	323.440	3.908	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1	735616696	FIRBDVVUZQHIGL-XNTDXEJSSA-N	317.348	3.722	50	20	DHGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H](C)c1ccccc1	746367009	FCXPMFBUFRYBAV-LBPRGKRZSA-N	311.341	3.504	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1ccc(Cl)cc1F	747643629	LOZBJTJNMNELGD-UHFFFAOYSA-N	317.172	3.958	50	20	DHGD	
CC(C)c1ccc(OCCC(=O)NNc2ccccc2F)cc1	748057427	WCYVXOCEQJAXQM-UHFFFAOYSA-N	316.376	3.861	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc2cccc(F)c2o1	748766436	AFQVUWINTYZGCQ-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1ccc2ccccc2n1	749815241	LPXUFRBOPZUXPM-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)s1	751426594	IMMDGONCBLCCBZ-ZMTLZGASSA-N	314.385	3.980	50	20	DHGD	
CC[C@@]1(C)CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752484202	FHOQNKZJOVEEDY-OTMARIDSSA-N	300.377	3.771	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)c2cccc(Cl)c2)s1	758365682	DTBMXZMIHFGOSX-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncn1	758913362	RCGNMDKYHSIVSP-FMIVXFBMSA-N	318.292	3.709	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc2[nH]ncc12	763624432	NSNUUCNVSZNDLD-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1cc2c(O)nc([C@H]3CC[C@@H](Br)C3)nc2s1	765983365	VDLDELRADYBBRC-JGVFFNPUSA-N	313.220	3.736	50	20	DHGD	
C#CCOc1cccc(NC(=O)NNc2ccccc2Cl)c1	770025252	NXKRIKJNJAPXIR-UHFFFAOYSA-N	315.760	3.501	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(C#N)c(Cl)c2)c1C	778246674	MSEHDNGWFORXHQ-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
C[C@@H](CC(=O)NNc1cc(Cl)ccn1)c1ccc(F)cc1	778446934	LCVAEZXRKAEJPB-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=CC1(C)CC1	782158149	HDZCBGPVUHFYCJ-GFCCVEGCSA-N	308.809	3.626	50	20	DHGD	
CC(C)CC1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	787425929	OQJVKAXEMNHXEG-SFQUDFHCSA-N	312.413	3.584	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Sc1ccc(Cl)cc1	791113864	OIYAMUJLOHPYGK-SECBINFHSA-N	321.920	3.948	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	791213421	JVOYTQBOYUYEOC-MSOLQXFVSA-N	317.392	3.790	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)c1cccc(Cl)c1	794871058	DPSNKKKHICULAB-AWEZNQCLSA-N	313.788	3.789	50	20	DHGD	
CCCN(N=Cc1ccc(N(C)C)c(F)c1)C(=O)OC(C)(C)C	794995065	DMVHRRORLNURAA-UHFFFAOYSA-N	323.412	3.873	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)C(F)(F)F	807895633	JWRVFHBYGBVUMP-IUCAKERBSA-N	301.399	3.768	50	20	DHGD	
Cc1ccc(C)c(OCCCCC(=O)NCC(Cl)Cl)c1	808128662	APDRKUPACPYCOG-UHFFFAOYSA-N	318.244	3.772	50	20	DHGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)[C@H]1CCCOC1	811627968	JLXOVQXUJLGCKK-SGRPLGENSA-N	315.316	3.670	50	20	DHGD	
CC(C)O[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	814268951	MMUNNNVOGTXCLW-MRXNPFEDSA-N	318.804	3.949	50	20	DHGD	
COc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2)s1	815004602	LIHADONAAKDTOD-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)NCC(C)(C)C(C)(C)C	817088303	XGLDJFYDYSCVAI-UHFFFAOYSA-N	313.873	3.541	50	20	DHGD	
C=CCC1(C(=O)NNc2ncc(Cl)cc2Cl)CCCC1	828829919	ZAVIJAATIOLLDA-UHFFFAOYSA-N	314.216	3.968	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)c2nc(C)cs2)c(Cl)c1	838227494	FCYOONSDMCBZKO-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cnn(C(C)(C)C)c2)cc1	849640206	ZLIDLHKSYPHUJH-RQZCQDPDSA-N	323.396	3.597	50	20	DHGD	
Cc1nocc1CN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	852209538	QXWQBHMXWDLLDJ-OAHLLOKOSA-N	310.514	3.969	50	20	DHGD	
Cc1coc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1	912578688	DEKBCCOAHSECME-ZDUSSCGKSA-N	309.482	3.824	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(Cl)s1	915973374	LXMWYIYGTPBQDP-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)c2ccccc2F)cc1	916291132	PFEJLNOXVITFEE-UHFFFAOYSA-N	314.360	3.769	50	20	DHGD	
CCC1CCC(=NNC(=O)[C@H](C)CN2CCCCCC2)CC1	916367041	QQZDSEFEUGAISB-AAFJCEBUSA-N	307.482	3.571	50	20	DHGD	
BrC[C@H](CN[C@@H](c1ccccn1)C1CC1)C1CC1	932387736	ZKNCCUDEKHVSLM-UKRRQHHQSA-N	309.251	3.543	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cccnc2N(C)C)cc1	1117351047	NMNNCDPCFBNQDB-QGOAFFKASA-N	319.408	3.890	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776751341	RGJKSWQXJQCIFP-QQCYMQAYSA-N	307.296	3.575	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)cc1	1777433729	ZXXZTEZCIJSHKX-OQLLNIDSSA-N	309.296	3.622	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CCC2CCCC2)c(C)c1	15845203	SGWMMEQONBFSGM-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2cccc(Cl)c2)cc1	46081155	VRECKFNWGQLRIU-UHFFFAOYSA-N	316.788	3.755	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc2ccccc2s1	118511006	XJVQOUMZIICONF-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1coc(-c2ccccc2)n1	120098171	RPYCFHWFRQFUIA-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
Cc1cccc(Cl)c1NC(=O)NNc1ncccc1Cl	133010163	JBTZDPVQBCCKAE-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ccccc2F)cc1	153024015	SEWNYBGUXWRUQF-UHFFFAOYSA-N	304.390	3.836	50	20	DHGD	
N#CC1(C(=O)NNc2ccc(C(F)(F)F)cc2)CCCCC1	153742633	LWWRDEPRSRBWHT-UHFFFAOYSA-N	311.307	3.623	50	20	DHGD	
C[C@H](O[C@@H]1CCCC[C@@H]1I)C(F)(F)F	158487251	MPNWWFLFGMQOMM-BIIVOSGPSA-N	322.108	3.700	50	20	DHGD	
Cc1ccccc1NNC(=O)COc1cccc2ccccc12	192732584	ACTUNIGFQCVPKL-UHFFFAOYSA-N	306.365	3.670	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)c(OC(F)F)c1	295950791	OWGCMWCGPSKXDN-POHAHGRESA-N	313.275	3.521	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNC(=O)c2cccc3ccccc23)c1	303822435	FEFOYGKXYMASMS-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2)c1	490783207	NZXHYGAMAUDNLD-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
CCCCc1nc(C=NN(C)C(=O)OC(C)(C)C)c(Cl)[nH]1	494155997	XSRJNPUUOMICAF-UHFFFAOYSA-N	314.817	3.607	50	20	DHGD	
CN(N=Cc1cscc1Br)C(=O)OC(C)(C)C	495808342	FEJDHLSAUWNPQW-UHFFFAOYSA-N	319.224	3.711	50	20	DHGD	
C[C@@H](CBr)CN(C)Cc1c(F)cccc1Cl	688928170	ULUYMGZXVGDDHU-VIFPVBQESA-N	308.622	3.942	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)cc1F	727653017	AKAHIXJYEDHZOM-LCYFTJDESA-N	306.344	3.832	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1cc(C)cc(C)c1	730430489	QLQHIAKRSXHKII-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)CCc1ccccc1O	730952434	WJIRPSOFWDWXDG-UHFFFAOYSA-N	316.426	3.511	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1F	731488291	CSRJJLHNAMWYRI-TWWDRGBLSA-N	300.377	3.736	50	20	DHGD	
CCc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)cc1	732927746	WADAMRPIXSPRHD-UHFFFAOYSA-N	315.804	3.736	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1nccc2sccc12	734550186	GVZXNVSDLZKCJS-CYBMUJFWSA-N	323.421	3.860	50	20	DHGD	
C/C=C\C(=O)NNc1c(Cl)cc(Br)cc1Cl	742004861	FGQKHGWRIJGMOQ-IHWYPQMZSA-N	324.005	3.775	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ccccc1Br	748070497	PVOLWVBSTAEMJN-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)CCc1ccccc1F	748549531	ZSBKJZNSJFXRER-LBPRGKRZSA-N	318.367	3.985	50	20	DHGD	
O=C(NN=C1CSCc2ccccc21)c1cc2ccccc2o1	749823774	QWTAAAGQUCRBPV-UHFFFAOYSA-N	322.389	3.814	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)c1c[nH]c2ccccc12	755489642	YLYAKMRABHCGIV-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(C#Cc2ccccc2)cc1	765906953	ZGBSDAAWIGCGBC-UHFFFAOYSA-N	312.372	3.843	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(Oc2cccc(F)c2)cc1	766286799	BRAHZIDCTAQRQS-RVDMUPIBSA-N	322.339	3.827	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(F)c(Cl)c1	770079191	CJWPWVAUSIHZKN-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
C[C@@H](CBr)CN(C)CCOc1ccc(Cl)cc1	770647222	ZWEOUIPBRRWQRA-NSHDSACASA-N	320.658	3.682	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1Cc2cccnc2C1	774219007	ZQVYVJZJBKHSPN-CYBMUJFWSA-N	308.472	3.638	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cc1)c1cccnc1	778391933	FDWFWHFFNYXWJX-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
Cc1ccc2[nH]c3c(c2c1)CC(=NNC(=O)c1ccc(C)o1)CC3	778542136	UROKDPMATZRDQO-UHFFFAOYSA-N	321.380	3.652	50	20	DHGD	
CCc1cncc(C(=O)NNc2cc(Cl)ccc2Cl)c1	789996137	KKLDLLPXZINPSE-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccccc1)CC(C)C	790880511	MKAHJEJSXGYZOY-UHFFFAOYSA-N	312.504	3.865	50	20	DHGD	
Cc1ccc2c(c1)CCN(C(=O)/C(C#N)=C/c1ccc(F)cc1)C2	790987735	HYKGAWRYELJESC-WOJGMQOQSA-N	320.367	3.626	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(Cl)nc1	792360508	SSLMJFTYKBUIOY-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
CCCN(N=Cc1cccc(OC)c1F)C(=O)OC(C)(C)C	794997067	NOLFCKYDDSPRAI-UHFFFAOYSA-N	310.369	3.815	50	20	DHGD	
CSSCCNC(=O)NC(C)(C)c1cccc(Cl)c1	807233283	BVBYQNTXWICKHS-UHFFFAOYSA-N	318.895	3.886	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1cccc(Cl)c1F	811334694	ATERTKLXRJOQFB-QMMMGPOBSA-N	323.589	3.596	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/C(C)=C/c1ccccc1OC(F)F	811686345	AZZPEGMFSVEWDY-USTLKGCXSA-N	319.307	3.870	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)COCc1ccccc1	812764643	ADXHSKJJNVNNSO-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1ccc2ccccc2n1	814682373	KWEATAOLLWGEKK-AWEZNQCLSA-N	320.396	3.670	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2nsc3ccc(C)cc23)c1	815853493	MZXABBWVPNKTAQ-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
CC1(C(=O)NNc2ccc(Cl)cc2Cl)CC(F)(F)C1	821147268	CBMUGZDQZHUGER-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCC[C@H]1c1ccccc1	826529975	DZFPAJOPVDYPCZ-GJZGRUSLSA-N	315.804	3.762	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@H]1CCc2cc(F)ccc21	830802099	UCXSSZKVKKPIFV-SFHVURJKSA-N	324.399	3.878	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(CC)[C@@H]2CC2(C)C)cc1OC	841613234	XRQMFGFQPTXUJB-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CSCC1(CC(=O)NNc2c(Cl)cccc2Cl)CC1	845822633	ZLXUIAVOCQXIBL-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(COC)cs1)c1ccccc1	853305582	HIZMARRVUOLNLM-INIZCTEOSA-N	316.426	3.538	50	20	DHGD	
CC(C)(C)c1cnc(CNC[C@]2(C)C[C@H]2Br)s1	856809115	JOCCLDGRPPNOBL-RNCFNFMXSA-N	317.296	3.704	50	20	DHGD	
Cc1ccc2oc(C(=O)NC[C@@]3(C)C[C@@H]3Br)cc2c1	857400047	TYBPYSISDAPOPI-DZGCQCFKSA-N	322.202	3.645	50	20	DHGD	
C[C@H](c1cccc(O)c1)N(C)C[C@H](CBr)C1CC1	859189830	XIPSBBUDQOCZGQ-RISCZKNCSA-N	312.251	3.806	50	20	DHGD	
N#C/C(=C/c1ccsc1C(F)(F)F)C(=O)C1CCOCC1	863189598	CJJCIHDCFPEZRN-XFFZJAGNSA-N	315.316	3.670	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CCC[C@@H]1F	872334695	JOPPLTRFEINBPN-LBPRGKRZSA-N	317.389	3.726	50	20	DHGD	
CCOc1ccc(Cl)c(NC(=O)NCC(Cl)Cl)c1	879735182	RUOARANYRMACMO-UHFFFAOYSA-N	311.596	3.664	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(-n2cnc3ccccc32)cc1	915966797	SGCOJOFLFVCXEB-UHFFFAOYSA-N	320.396	3.522	50	20	DHGD	
O=C(CC(F)(F)F)NN=Cc1cc(-c2ccccc2)cs1	917551217	HYDVZQUBFFLBSF-UHFFFAOYSA-N	312.316	3.818	50	20	DHGD	
CSCC1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC1	932595080	NUGOOGBQURFINV-FZSIALSZSA-N	317.414	3.534	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1C[C@@H]2C[C@@]2(c2ccccc2)C1	1120692767	JTWZSYVHFQMKLU-HKUYNNGSSA-N	311.812	3.839	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(-c2cnn(C)c2)cc1	1321228107	DFZVZJDVXQPZJX-XGHPXPSOSA-N	307.397	3.999	50	20	DHGD	
CN(C)c1ncccc1/C=C(\C#N)C(=O)c1cccc(Cl)c1	1323087005	JFAXAJZVHRHAMS-NTEUORMPSA-N	311.772	3.591	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1Cl)c1ccc(F)c(F)c1	1324282976	XMRRYIGALSJZER-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(C(=O)O)ccc1Cl	1595568024	XAZXYATWZRIGMC-XNFYSYIQSA-N	305.761	3.950	50	20	DHGD	
CCCCCCCC=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044793	MLDYPWQUIBXRQO-UHFFFAOYSA-N	305.378	3.853	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1nccs1	33577306	UKTMUVFNDGSDBE-UITAMQMPSA-N	324.192	3.996	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccc(F)cc1	79440504	RSDSPMOBNMMILP-LBPRGKRZSA-N	304.340	3.677	50	20	DHGD	
Cc1cccc2[nH]cc(CC(=O)NNc3cccc(Cl)c3)c12	103429382	QMSDQDDGFCILMV-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
COc1ccsc1C(=O)NNc1ccccc1C(F)(F)F	105939613	VRHFXJATSQBYST-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
CCOc1ccc2cc(C(=O)NNc3cccc(C)c3)[nH]c2c1	133047459	FIGLSXBXFJWYTO-UHFFFAOYSA-N	309.369	3.632	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1cccc(F)n1	134278015	MQTRJDHOWCPHAD-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2ccccc2F)c1	152804150	GRWUIIGWOOJPLE-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccc(C#N)cc1	155235324	AYQJCKJEKDCWEK-MRXNPFEDSA-N	311.410	3.572	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)s1	177890947	GFJSCZAEPDSKIE-HLVNSREUSA-N	312.394	3.541	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)c(O)c2)cc1	178763341	OPEDGGYOPFHNHJ-XNTDXEJSSA-N	322.364	3.645	50	20	DHGD	
C=Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	189291095	UBABNOFGGGPROF-UHFFFAOYSA-N	322.286	3.985	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	191767339	OQWLWFUOTHGYOO-SFQUDFHCSA-N	313.378	3.778	50	20	DHGD	
Cc1nc2ccccc2cc1C(=O)NNc1cccc(Cl)c1	192472559	XRPADJPQRYGKJW-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccsc2)cc(Cl)c1O	193346488	JQMHGEDOGHWNNV-NYYWCZLTSA-N	319.769	3.906	50	20	DHGD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)N2CC=C(C#N)CC2)c1	270887034	BSRVICFLKZPQIX-UHFFFAOYSA-N	319.408	3.698	50	20	DHGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc(F)c1	588597485	LUUHNMAPDFRMPR-QCDXTXTGSA-N	314.247	3.663	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cnc(-c2ccccc2)s1	727253929	NUJCBTWORVNHPU-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCC(C(C)C)CC2)c1	729636160	WGHAGJKPEFJQPD-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cnnc2ccccc12)c1ccccc1	733810841	CAUXMTHMRDQJGY-OAHLLOKOSA-N	320.396	3.657	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)c2cnn(-c3ccccc3)c2)C1	734979095	JLPZMOKILUEZAW-AWEZNQCLSA-N	310.401	3.558	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccccn1)c1ccc(Cl)cc1	740760432	UCTAEULNKHTZRY-UHFFFAOYSA-N	315.804	3.915	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNC(=O)c1ccc[nH]1	742488311	BTXMISZEMSQTQI-QGZVFWFLSA-N	307.438	3.553	50	20	DHGD	
CC(=NNC(=O)CCN1CCCCCC1)[C@H](C)c1ccccc1	746368415	JKXRZMWQWOIQSA-INIZCTEOSA-N	315.461	3.548	50	20	DHGD	
CCC(CC)CC(=O)NNc1ccc(Br)cc1F	748200164	GZNLMSGMUVAAMQ-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)CCc1ccccc1O	748252214	PJVYFCNMDYGZFL-ZDUSSCGKSA-N	302.418	3.643	50	20	DHGD	
CCC1(C(=O)NNC(=S)Nc2ccccc2C(C)C)CCC1	751389347	OHHIDFGHHBYDQW-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
CC(C)n1ccc(C(=O)NNc2cc(Cl)ccc2Cl)n1	752807482	JHGHUYQWUZELGQ-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(Cl)ccn1	752812576	ZMGDPUXSYQAYJC-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=CC(C)(C)CCC#N)cc2C1	755577911	YJPBXXANNDCBBW-GFCCVEGCSA-N	317.458	3.918	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3nc(C)sc3c2)c1	762136958	GONGMXAWNCKWFK-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(OC)cc1)C1CCC(C)CC1	764463216	SIKYZHZQBMPPMV-KVULBXGLSA-N	304.434	3.991	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)CCC#N	766002791	QFSZGYZFGTYPNF-VXGBXAGGSA-N	303.431	3.528	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1nc2ccccc2[nH]1	768505253	WOAZXRYIUZAMAQ-LBPRGKRZSA-N	300.406	3.613	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1ccc(Cl)cc1	768717423	YCTXOIVINCHCDQ-SWLSCSKDSA-N	310.825	3.769	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cccc(Cl)c1O	775781755	JZGMJIGGOGYENC-UHFFFAOYSA-N	316.788	3.681	50	20	DHGD	
CCC(=NNC(=O)Cc1cccnc1)c1cccc2ccccc12	780226208	WYWPAVHNYFRYDF-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CCC=CO1	781082466	RAXRUXWMNVWHNY-OLZOCXBDSA-N	301.477	3.509	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc2cnccc2c1)c1ccccc1	782228589	IAZRPJXWAQADGC-IBGZPJMESA-N	317.392	3.879	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	784593607	IPRIBZXRQRQNHE-ZDUSSCGKSA-N	315.417	3.535	50	20	DHGD	
C=C(CBr)COC(=O)CCc1cc(Cl)cs1	795514769	OITVHRSXHMEFMA-UHFFFAOYSA-N	323.639	3.828	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccn2ccnc2c1	798139470	BDLGVERYUSXFHN-ZDUSSCGKSA-N	321.471	3.987	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ncnc(Cl)c2C(C)C)c1	798141815	HJNQTCGBBPLPTO-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
CSC1(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCC1	800808797	QGWODQDCGVEQSB-LLVKDONJSA-N	322.499	3.874	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2nccnc2C2CCC2)cc1	805466020	HRVKJYKSMRWTOL-UHFFFAOYSA-N	324.428	3.844	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1nccnc1C1CCC1	805474987	JBNHFYNZHZADAW-CYBMUJFWSA-N	304.438	3.794	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1ccc(Cl)cc1	807120972	VGYRVVFZUAYFTF-UHFFFAOYSA-N	300.745	3.772	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2cc3ccccc3o2)cc1C	812388221	YIMAKYPRKPANFQ-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1scnc1C	813060537	CSSANVNNORDARY-UHFFFAOYSA-N	318.446	3.710	50	20	DHGD	
O=C(NN=C1CC(c2ccccc2)C1)c1cc2c(s1)CCC2	814738835	PKEMIBFRXKCVNS-UHFFFAOYSA-N	310.422	3.900	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCC[C@H]1CCCO)c1ccccc1	814845804	WHHCRLRBCXPYCB-IRXDYDNUSA-N	316.445	3.615	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ncccc2Cl)cc1	816018441	DNHXWPSAQNXBRS-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)c1cc2cc(Cl)ccc2s1	821750216	CBSBXEGPBDEOIS-UHFFFAOYSA-N	322.817	3.506	50	20	DHGD	
CO[C@H]1CCN(Cc2ccc(OCCCCl)cc2)C[C@@H]1C	824821344	YNSHJTOUDUIRKX-YOEHRIQHSA-N	311.853	3.551	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ccc(OC(F)(F)F)cc1	827515615	BOMZWHFUYYJTMB-YGRLFVJLSA-N	316.323	3.855	50	20	DHGD	
CCOc1cc(OC(=O)O[C@H](C)CC(C)C)ccc1[N+](=O)[O-]	831255204	IJJIIMVHYWBGLX-LLVKDONJSA-N	311.334	3.944	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CC1	836778869	LRTKXBUUTOPCNX-SNVBAGLBSA-N	323.318	3.767	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2ncc(F)cc2F)cc1	837205842	DYOIXFZNBFFWIA-UHFFFAOYSA-N	319.355	3.559	50	20	DHGD	
CC(C)(C)OC(=O)[C@]1(C)CCN(/C(=C/C#N)c2ccccc2)C1	839105929	WRXAWIYSCCZUGR-OUQXZNHLSA-N	312.413	3.605	50	20	DHGD	
CC[C@@H](C)c1ccc([C@H](NC(=O)NN)c2cccs2)cc1	841667641	PTXCLDJIUBYTBH-ABAIWWIYSA-N	303.431	3.524	50	20	DHGD	
O=C(NNc1ccccc1Oc1ccccc1)[C@H]1C[C@@H]1C1CC1	846462668	WQZZGAIHIVOIQD-CVEARBPZSA-N	308.381	3.968	50	20	DHGD	
CC(C)C(=NNC(=O)c1cccc(C(=O)O)c1)C1CCCCC1	853426024	MRQSBRCDJNGXKM-UHFFFAOYSA-N	316.401	3.707	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@H](C)C2)c(C(F)(F)F)c1	857265429	MXDQVKQXMFTIIR-VHSXEESVSA-N	316.323	3.593	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CCc2ccc(Cl)cc21	858434070	UZJDPAGDJNLAFD-GFCCVEGCSA-N	316.879	3.638	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@H]1CN[C@@H]1CC2(CCOCC2)Oc2ccccc21	896033555	LCWFEWMPTJENCX-FAYQHZLMSA-N	321.848	3.522	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1O)c1ccc(Cl)cc1	916270237	XLFIPPUBDANTME-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1cccc(F)c1	916273573	KZNMDNSAXHDBKX-UHFFFAOYSA-N	322.792	3.722	50	20	DHGD	
O=C(NN=Cc1c(F)cccc1F)C12CC3CC(CC(C3)C1)C2	916308886	XKHYHWXMVFGRJS-UHFFFAOYSA-N	318.367	3.631	50	20	DHGD	
C/C(C=NNC(=O)CNc1ccc(C)cc1C)=C/c1ccccc1	916358621	XCOWRMOVJRIGKC-KPDPHHEUSA-N	321.424	3.921	50	20	DHGD	
C=C[C@@H](CC)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	935025396	MCEFYPLGNIMPIN-NSHDSACASA-N	316.323	3.673	50	20	DHGD	
O=C(NN=Cc1ccc2c(c1)CCC2)c1ccc(Cl)cc1F	1116190959	BYURTJGOCBUAFN-UHFFFAOYSA-N	316.763	3.732	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)c1C	1319940914	VEPWJZGFLYJSQH-NTEUORMPSA-N	322.412	3.870	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2ccccc2Cl)s1	1330304304	FXGFMEWBNHBUJM-UHFFFAOYSA-N	310.831	3.887	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1NC(=O)C1CCC(Cl)CC1	1600154213	XFKUXYBVRLSELV-UHFFFAOYSA-N	309.793	3.738	50	20	DHGD	
Cc1cc(C)c(C(=O)/C=C/c2cnn(CCCl)c2)cc1C	103250142	GXVXAKAEBPMGEE-SNAWJCMRSA-N	302.805	3.943	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ccc(F)cc3F)cc2c1	113430218	GQCCHAOAIGRIGT-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(Cl)cc1	172087816	MHLUIUFUYUSUQL-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3c(s2)CCCCC3)cc1	267026897	SFEXOBWGQKRWPS-UHFFFAOYSA-N	316.426	3.783	50	20	DHGD	
CCCN(CC(C)C)S(=O)(=O)c1ccc(CCCl)cc1	312612437	VFAJFCWGYYZFSY-UHFFFAOYSA-N	317.882	3.525	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	588409921	GOTSMGIMHNSPRH-UVTDQMKNSA-N	310.353	3.751	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@H]1CCc2cc(F)ccc21	588429858	WPZGIEGSGPYFMR-WAFIBAPDSA-N	324.330	3.675	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2F)c1F	588619140	WZQJUTQHUNJFIU-XFXZXTDPSA-N	314.291	3.519	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@H]1c1ncccn1	616608214	OYPMPGZYEAJGBP-AWEZNQCLSA-N	307.514	3.635	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1cccc(C)c1	728433412	HAQLNFSWZLVHPD-UHFFFAOYSA-N	318.323	3.750	50	20	DHGD	
Cc1cc(C)c(C)c(OCCC(=O)NNc2ccc(F)cc2)c1	730521660	JTNDCSISFKWFLO-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ncccc1C(F)(F)F	740090934	AUCGEPUTELNUSH-JTQLQIEISA-N	315.339	3.760	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(Cl)nc2ccccc12	748090435	ROAKFTBTWZTUSR-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@H]2CCc3ccccc3C2)c1	748354447	WSDKLDWIZHWXFN-INIZCTEOSA-N	308.425	3.942	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cccc(F)c2Cl)cc1Cl	753312602	FLDYRLYKMBEXLP-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(F)cc(F)c1)c1ccccc1	755726553	NHPSIPOBCLSGSG-MRXNPFEDSA-N	302.324	3.609	50	20	DHGD	
COc1ccc(C[C@H](C)C=NNC(=O)CC2CCCC2)cc1F	758109822	RMYSOHOCLXEYSH-ZDUSSCGKSA-N	320.408	3.695	50	20	DHGD	
CCC[C@H](C(=O)NNC(=S)Nc1ccc(C)cc1C)C(C)C	763546385	DJOWCVRNEULIOI-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)COc1cccc(C)c1	764899088	ZVAFFJXLFDAKJB-UHFFFAOYSA-N	316.426	3.560	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@@H]2CCC[C@@H]2C)c(Cl)c1	768995304	HVFCVLULXXBNJC-RYUDHWBXSA-N	323.824	3.627	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccccc1Br	769606918	VVJAUOVCVJVEIW-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	775884557	LIPNBLWBEDXGRF-TZMCWYRMSA-N	300.324	3.831	50	20	DHGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	780782118	HOHXRDVTKVVXIH-UWVGGRQHSA-N	301.312	3.520	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@@H](C)[C@@H]2C)cc1	781121711	DBTYRMAOAFLGSK-KGLIPLIRSA-N	302.418	3.556	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1ccc(OC)cn1	781536932	HWPKUVLKBQHDFC-AWEZNQCLSA-N	305.422	3.530	50	20	DHGD	
CSC1(CNC(=O)NNc2cc(Cl)ccc2Cl)CC1	789285586	UPBZVEGSHYAVLQ-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
CSSCCNC(=O)c1ncccc1Oc1ccccc1	791150812	USERIFOEKFYORQ-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)C1CCOCC1	794953445	NEHQZXQCBLRYLK-LCYFTJDESA-N	309.287	3.608	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1ccc(F)cc1	799520731	MFIXSEGSNGXWQD-UHFFFAOYSA-N	301.365	3.523	50	20	DHGD	
CC(C)c1[nH]ccc1C(=O)NNc1cccc(Br)c1	802823770	DISIHECYOAAANQ-UHFFFAOYSA-N	322.206	3.658	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cc(Cl)cc(C)c1O	807944150	XTXGFNZVJAWUKR-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CCN1CC[C@@H](N(C)CCO[Si](C)(C)C(C)(C)C)C[C@H]1C	808732129	BXXTVMPKXWJBSF-HZPDHXFCSA-N	314.590	3.813	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)c1cc(Cl)ccc1O	814777150	POKNJSFNYPJALT-UHFFFAOYSA-N	306.793	3.876	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2ccc(C)cc2Cl)s1	836935431	GMDKFNAGVSIGIA-UHFFFAOYSA-N	309.822	3.733	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C1(C(F)F)CCCC1	836936196	HNRORLIXORPVEX-UHFFFAOYSA-N	302.752	3.917	50	20	DHGD	
CCCn1nc(C)c(C(=O)NNc2ccc(C)cc2Cl)c1C	836938032	VVOLKINGUCKQIG-UHFFFAOYSA-N	320.824	3.629	50	20	DHGD	
Cc1ccccc1C1(C(=O)NCC(Cl)Cl)CCCC1	837648509	RZCYNMUFNIXLPO-UHFFFAOYSA-N	300.229	3.727	50	20	DHGD	
N#C/C(=C\c1ccc(C2CCC2)cc1)C(=O)NCc1ccco1	840729533	PBFGQPPAWGESLU-GZTJUZNOSA-N	306.365	3.770	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)Nc1ccccc1	843879916	GYWDCINNIKSNHW-AWEZNQCLSA-N	303.406	3.612	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2c(C3CC3)cnn2C)c1C	849246886	WZIWHOXEVDBIQH-DHDCSXOGSA-N	305.381	3.704	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCCc2sccc21	855367211	QOBODGUMOOLPPR-ZDUSSCGKSA-N	304.390	3.759	50	20	DHGD	
CC(C)(C)[C@@H]1C[C@H](NC[C@]2(C)C[C@@H]2Br)CS1	857063038	HFPPQCPDVQWAPA-ZPFDUUQYSA-N	306.313	3.670	50	20	DHGD	
CSC1(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)CC1	912581492	GIMXAVUCJNJEKP-GFCCVEGCSA-N	315.555	3.505	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)cc1	916131471	HYRKKMDOEMWBCI-PTNGSMBKSA-N	303.321	3.809	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C2CCC[C@@H](C)C2)cc1	916338387	VVUSDXJUGFSPQW-ZIAGYGMSSA-N	318.417	3.535	50	20	DHGD	
CC1(C)CCCC(=NNC(=O)c2cncn2-c2ccccc2)C1	1253156089	PQXOWIPKLGKURN-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C(F)(F)c1ccc(Cl)cc1	1317899557	XIMJGMLMPZZADF-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)c2ccc(F)cc2F)c1	1319482174	HWLLIOHMHAXKMY-LBPRGKRZSA-N	304.340	3.828	50	20	DHGD	
CC/C(=C\C(=O)NNc1cccc(C(=O)O)c1)c1ccc(C)cc1	1594691713	ZCPFUCHYHAPONG-WYMLVPIESA-N	324.380	3.630	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	1078938	DPSVSFFBKWGLII-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1	1086654	OFAJCVDCKCSJAP-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccco2)cc1OC(F)F	8200887	KWBIKFIOHJRRQW-YRNVUSSQSA-N	319.263	3.679	50	20	DHGD	
Fc1cccc([C@@H](CBr)OCC(F)(F)F)c1	50481876	NPHXLMVKUSQKCC-SECBINFHSA-N	301.077	3.841	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1ccccc1Br	91983494	UGVCKXFSDLMEJT-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CCC[C@@H](C)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	112259956	ZYAMFOUIWQGTTO-CYBMUJFWSA-N	317.882	3.667	50	20	DHGD	
CCC[C@@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	118515216	UHBWOBVXODWQND-CYBMUJFWSA-N	304.340	3.992	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)NNc1cc(C)ccc1C	127541472	OBJPWGLZPYDNKQ-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1ccncc1Cl	152333017	KQHRFNUPODEKRD-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1	158747734	VMDYHCVOGGYHFK-HZPDHXFCSA-N	300.789	3.895	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1nc(Cl)ccc1Cl	161063255	YGEUYVYTCKUTOK-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1F)c1nnc2n1CCCCC2	178863760	BXQBUTPDOJTYNV-XYOKQWHBSA-N	316.767	3.861	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2ccc(F)cc2F)CCC1	180781856	OUSQJVNUABYFJA-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccccc1OC)c1ccccc1	188580619	DDJYYNDHUYTBEX-FDWYHIAWSA-N	320.392	3.870	50	20	DHGD	
CC[C@]1(C)CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	188695394	LHGPOYRNOUBAPR-UKRRQHHQSA-N	317.520	3.728	50	20	DHGD	
C=CCC1(C(=O)NNc2ncc(Cl)cc2Cl)CCC1	190380179	AZZITKZGRJUZFY-UHFFFAOYSA-N	300.189	3.578	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(F)cc2)ccc1O	212693937	NQAVXWAZICUOHB-ZROIWOOFSA-N	311.312	3.720	50	20	DHGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)NCCc2ccccc2)c1	213971974	MNQZLAJVVUFDFI-UYRXBGFRSA-N	304.393	3.569	50	20	DHGD	
C[C@H](c1cccs1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490910071	PTTIGXXEYTULKP-HLVNSREUSA-N	312.394	3.580	50	20	DHGD	
CC(C)CSCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	588431524	PMQCKMUGPUSRSM-XNTDXEJSSA-N	320.433	3.628	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(N(C)C)c(F)c1	727654213	IVBSWSCVHGPDJD-XNTDXEJSSA-N	323.371	3.746	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	727674490	YAXXOSHKUDCLLK-SNVBAGLBSA-N	313.785	3.764	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)c2c(c1)C[C@H](C)O2	728439131	FLDSOOPUFZOPOH-URXIRXLPSA-N	323.348	3.710	50	20	DHGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCCC(C)(C)C)c1	728984840	TWDYJARVKIGSGA-UHFFFAOYSA-N	321.490	3.837	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H](C)c1ccsc1	737494749	ZQPZYPIZYJLSJU-NSHDSACASA-N	305.355	3.982	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	743299318	LMIDBDJWHAVNJH-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	743419215	PWJDLMKOCGNQSD-UHFFFAOYSA-N	323.352	3.567	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)c1ccc(Cl)cc1	747040110	JMIFFOOAXHDYDU-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1cccc([N+](=O)[O-])c1	748001782	IQNHBEMUDNGNER-UHFFFAOYSA-N	305.359	3.537	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1ccc(OC(F)F)cc1	748643760	OSNSPOXUIZWWGM-NSHDSACASA-N	300.349	3.948	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)c1cc2ccccc2o1	749472531	OSHWJXALYREJFU-UHFFFAOYSA-N	302.374	3.554	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(O)c(F)c2)c1C	755406946	FTIFLHQSVZEIAL-DHDCSXOGSA-N	324.355	3.926	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)[C@@H]2CCCC(C)(C)C2)c1	756126257	GTGKGPWJIYSODJ-CYBMUJFWSA-N	319.474	3.529	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)CCCc2ccccc2)s1	758370738	QZETUZLWJONHLY-UHFFFAOYSA-N	315.442	3.740	50	20	DHGD	
CCC[C@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768255063	ZTMOHNGSTXCHPY-RYUDHWBXSA-N	304.272	3.835	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C[C@H]1CCC[C@@H](C)C1	768349348	JXSVWLPMQVBTHA-RDBSUJKOSA-N	306.381	3.521	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)c1cccc(F)c1	772179797	RHIKKFOOYDIZIM-GDNBJRDFSA-N	323.323	3.777	50	20	DHGD	
CC(C)(NS(=O)(=O)CCCCCl)c1cccc(Cl)c1	780785179	WJFZUKQBWUIPPZ-UHFFFAOYSA-N	324.273	3.514	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1OC	781555170	ZSOPLDCOTGEKSI-LFIBNONCSA-N	311.381	3.926	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCC=C(c2ccco2)C1	796119712	CDFOTFKLMGLYIE-MFOYZWKCSA-N	321.336	3.842	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1[nH]c2ccccc2c1Cl	817005849	LDQQEWILZXAAHV-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc2oncc2c1	821029148	ZPXUXPRENZKHCU-NVNXTCNLSA-N	317.348	3.990	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccc(Cl)o1	823970420	CPYVFYFRESKNPH-UHFFFAOYSA-N	322.151	3.892	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cn(C)nc2C(C)C)cc1	836587221	CLCUZVWXOWMJIA-UHFFFAOYSA-N	315.421	3.816	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc2c(c1)CCCCC2	844802325	MMQGBAIODUHBCF-UHFFFAOYSA-N	319.405	3.517	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2ccccc2C(C)C)cc1	848403511	WMTHVESQMLRCGF-UHFFFAOYSA-N	310.397	3.648	50	20	DHGD	
Cn1ncc(C2CC2)c1/C=C(/C#N)C(=O)c1ccc(Cl)s1	849250614	VNKCOJXLPLITNJ-POHAHGRESA-N	317.801	3.802	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H]([C@H]2CCCCO2)C1	852594167	AGIQFUHAESTTDE-SCSGRABISA-N	314.404	3.971	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)C(C)(C)CO3)cc1F	856225585	KBFPSVGGJDMACT-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
CC(C)(C(=O)NNc1nc2ccc(Cl)cc2s1)C(F)F	856235045	PVHIXXYJKCSXSK-UHFFFAOYSA-N	319.764	3.684	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cnn(C3CCC3)c2)ccc1[N+](=O)[O-]	899366283	KAEXUTYCNMQKOC-OVCLIPMQSA-N	308.341	3.889	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)c2ccc(CC)cc2)cc1	916329586	OWFHRLFJZNPBPC-UHFFFAOYSA-N	310.397	3.802	50	20	DHGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)c1nc(-c2ccccc2)no1	920063860	IOIUMHMCWXOGLW-LCYFTJDESA-N	319.368	3.821	50	20	DHGD	
CN(NC(=O)c1cc(Cl)nc2ccccc12)c1ccccc1	920860560	NFPORQYRORDYBM-UHFFFAOYSA-N	311.772	3.669	50	20	DHGD	
O=C(N[C@@H](C1CC1)[C@H]1CCCCO1)c1cccc(CCl)c1	1337333765	JNICAABDXMCONN-CVEARBPZSA-N	307.821	3.503	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)ccc1F	1341111721	MVZXBCPQQHVAIA-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)C(=O)O	3226907	GHHHLGXZLLIGQN-RVDMUPIBSA-N	315.332	3.531	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1CCCCC1	3368964	VHVQFZLVXHXBAN-UHFFFAOYSA-N	303.793	3.912	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(Br)c1	57547587	BYNAHWYLNWKCHK-WQLSENKSSA-N	308.175	3.699	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	65999531	LMBWSPWENICRHO-QINSGFPZSA-N	305.308	3.628	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccccc1Cl)c1ccncc1	74437984	UOGMFTPRFHJSIC-CYBMUJFWSA-N	304.781	3.512	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1ccc(F)cc1	78560884	ULUVINFXTRKXOS-FLIBITNWSA-N	302.255	3.650	50	20	DHGD	
Cc1nc(-c2ccco2)ccc1C(=O)NNc1ccc(F)cc1	101854257	KYLYEPMDYOROBN-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccccc1[N+](=O)[O-]	116162238	ONLNKFSXUFVQMY-CYBMUJFWSA-N	313.357	3.540	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Oc3cccnc3)cc2)cc1	120241265	IXRQHDPTDBOMRC-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc2c(c1)CCCC2	123143059	IXTAGPKODXGECN-UHFFFAOYSA-N	300.789	3.976	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1OC	154275604	PMLBNBZVYWXWOM-YBEGLDIGSA-N	307.349	3.802	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1cccc(F)c1	155029602	GHMAYZFHBWWJRL-LBPRGKRZSA-N	304.390	3.591	50	20	DHGD	
COc1cccc([C@H](C)C(=O)NNc2ccccc2Cl)c1	158542403	PLVFAUVZGQLWPW-NSHDSACASA-N	304.777	3.595	50	20	DHGD	
CN(CCc1cccs1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	177351776	AHSZWWSPSRCBQF-LZYBPNLTSA-N	313.382	3.695	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1c(C)cccc1F	184327918	SUQBQMJPKURWTA-RYUDHWBXSA-N	304.390	3.751	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(c2ccncc2)CC1	191620384	XBJAFPPQALJBDO-IPKBDRFQSA-N	307.372	3.965	50	20	DHGD	
CC1(C)CN(C(=O)CCCC[C@@H]2CCSS2)CCCO1	377711001	YZJRRTVDUAXSJA-CYBMUJFWSA-N	317.520	3.728	50	20	DHGD	
CN(N=Cc1cccc(Br)c1)C(=O)OC(C)(C)C	490786273	CRAKQJNILICUFN-UHFFFAOYSA-N	313.195	3.650	50	20	DHGD	
CC[C@H](CC(=O)NNC(=O)c1cccc2ccccc12)C(C)C	741576112	LMCRVYMTLGCWAA-CQSZACIVSA-N	312.413	3.673	50	20	DHGD	
CCCC[C@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	745800326	ZMHGDDZJTURMHD-AAEUAGOBSA-N	310.829	3.720	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCC=C(C)C)cc1OC	749156429	DMGFSRHOOFJBCS-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
Cc1ccc(CN(C)/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)cc1	750033897	YRUTVUXRCROADP-WQRHYEAKSA-N	307.353	3.900	50	20	DHGD	
Cc1cc(C(=O)NN=CC(C)(C)CCC#N)c2ccccc2n1	755496909	DCWRVXORJMWRFV-UHFFFAOYSA-N	308.385	3.589	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761176158	JUIJFQRPHRLXGW-PKNBQFBNSA-N	302.761	3.909	50	20	DHGD	
Cc1cc(NNC(=O)/C=C2/CC[C@H](C)C2)ccc1Br	762807235	WTDKAHUPFGBCLF-JMZICWNOSA-N	323.234	3.947	50	20	DHGD	
CC1(c2ccccc2)CCC(=NNC(=O)Cc2cccnc2)CC1	766708022	ZJYVWRPQELLAFS-UHFFFAOYSA-N	321.424	3.628	50	20	DHGD	
CN(N=Cc1c2ccccc2c(Cl)c2ccccc12)C(N)=O	767904250	OGDVFGBCJLNONY-UHFFFAOYSA-N	311.772	3.991	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCCCc1cccs1	768373454	DIVOWAQWLRVKKZ-LLVKDONJSA-N	318.280	3.607	50	20	DHGD	
C[C@@H](CBr)CN1CC=C(c2ccc(F)cc2)CC1	770645653	KPYHDAHESYAMGJ-LBPRGKRZSA-N	312.226	3.946	50	20	DHGD	
C[C@H](CBr)CN1CCSC2(CCCCC2)C1	770658389	YAOPBAQDRHJUHH-GFCCVEGCSA-N	306.313	3.769	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2cnc(Cl)c(C)c2)ncn1	773149870	LECDKXWTIFOZHU-WCIBSUBMSA-N	302.790	3.620	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(SC(F)(F)F)cc1	773570862	HKQRCPLFKGKCEL-UHFFFAOYSA-N	320.361	3.633	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(C)cc(C)cc2C)c(F)c1	777418531	QWOLKPOVMYMTNS-UHFFFAOYSA-N	314.360	3.710	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)C(=O)C1CCCCC1	777872281	PWMGJBMNAIJFSB-MDWZMJQESA-N	302.305	3.790	50	20	DHGD	
Cc1cnc(C(=O)NNc2cc(Cl)ccc2Cl)c(C)c1	780604629	VRECZERTCPSKTB-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(OC(F)F)c1	783844480	AEDNYVVQYBYSIZ-MNOVXSKESA-N	310.344	3.830	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@H]1CC=CCC1	790374897	DSNKPYJAPSRZHU-NSHDSACASA-N	300.189	3.728	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](c1cccc(Cl)c1)C(C)C	791213870	DKBFGDCUMHSXLX-HNNXBMFYSA-N	317.820	3.926	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21	799742026	WGXDSEKEJVHVDI-AKMXKPQHSA-N	312.413	3.650	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(Br)s1)C(C)(C)C	800808810	QYQUKCOIKIEURD-MRVPVSSYSA-N	317.252	3.908	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1C	806573362	IPCFIOKCXVJORE-GQVHDAKQSA-N	301.386	3.925	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)COC1CCCCC1	812766975	APFJXZJYOXIXBK-UHFFFAOYSA-N	304.434	3.911	50	20	DHGD	
CO[C@@](C)(C=NNC(=O)c1c(Cl)cccc1Cl)C1CC1	814833670	OWUKLXOATLQFOQ-AWEZNQCLSA-N	315.200	3.524	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CC[C@H](C)C3)n[nH]2)c1	814876157	KVXMGLRSMAYYHB-NSHDSACASA-N	310.401	3.599	50	20	DHGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NCC(Cl)Cl	816604218	BLVZZFAVIXGYLI-ZDUSSCGKSA-N	320.285	3.864	50	20	DHGD	
COC1(CCNCc2ccc(OCCCCl)cc2)CCC1	816638493	OQOXAVDFFSKPBR-UHFFFAOYSA-N	311.853	3.743	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)cc1	830776690	SQTPIANXXLOFRK-IEBWSBKVSA-N	319.408	3.660	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(C)CC(C)(C)C)cc1OC	834929693	UCQTUNANTXFCFC-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	836783490	BWMCBGJHHLJXHY-UHFFFAOYSA-N	303.793	3.791	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823287	RMWIZAMGQMQXSR-XPTSAGLGSA-N	311.769	3.518	50	20	DHGD	
C/C(=C/C(C)(C)C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823881	YZAOJWDKDRLHIE-HJWRWDBZSA-N	311.769	3.684	50	20	DHGD	
Cc1ccc(NNC(=O)c2sccc2CN(C)C)c(Cl)c1	836937725	KGRBGGRBPDJSCP-UHFFFAOYSA-N	323.849	3.528	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(CC(C)C)c2C)c(Cl)c1	836937949	RYYGVNNFYZFQSU-UHFFFAOYSA-N	320.824	3.566	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1ccc(CN2CCCCC2)cc1	840527740	GUJDCDITPZYOKL-XDHOZWIPSA-N	324.424	3.576	50	20	DHGD	
CC[C@@H](COC(=O)/C(C#N)=C\c1ccc(OC)cc1)CC(F)F	845769514	PUDUWPBOMPEMBO-UGMNDJHYSA-N	323.339	3.827	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCCC(C)C)c(F)c1	848346547	DJRZXZMIJCTBER-ACCUITESSA-N	320.364	3.633	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)cc1C	871599163	KZIDDOBCSPMONU-PCJMVEANSA-N	313.397	3.687	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2cnc(C)s2)c(C)c1	876014865	QRMXOKHFXLQAMH-LBPRGKRZSA-N	318.446	3.764	50	20	DHGD	
C[C@H](O)CNN=Cc1cccc(S(F)(F)(F)(F)F)c1	905473943	OTGKFVXJRIRHKR-QMMMGPOBSA-N	304.284	3.648	50	20	DHGD	
CCc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	916308292	CYZBSXWENFEHDD-UHFFFAOYSA-N	310.441	3.916	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccc(C)cc2)c1	916613354	VIKIKCDIVCSOIR-YVLHZVERSA-N	307.349	3.654	50	20	DHGD	
CN(C)C(=O)CNCc1cccc(S(F)(F)(F)(F)F)c1	921488708	GHTLMRQOYGHVLK-UHFFFAOYSA-N	318.311	3.522	50	20	DHGD	
CC(C)[S@@](C)(=O)=NC(=O)CCCC[C@H]1CCSS1	926069296	OJRYZAAFMKLXMM-BBATYDOGSA-N	309.522	3.733	50	20	DHGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@@H](c2ccccc2)CO1	1123729514	LGRYMVQASRJUCF-YJNKEBTESA-N	321.848	3.773	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccc(F)cc1	1320953576	UVZRNQZPSWWGGJ-RXBGNRNISA-N	324.355	3.706	50	20	DHGD	
Cc1cccc(C)c1OC[C@H](NC(=O)CCl)c1ccccc1	1323268915	IIJJDGZUEZTOOK-INIZCTEOSA-N	317.816	3.779	50	20	DHGD	
N#Cc1ccc(Cl)cc1N(Cc1ccccc1)C(=O)CCl	1324707282	VLNXEIISLFGJFM-UHFFFAOYSA-N	319.191	3.984	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(C3CCCC3)c2C)cc1F	1329428619	PQYXOJGLNQRMSZ-UHFFFAOYSA-N	316.380	3.511	50	20	DHGD	
CSCc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1	159351984	ZGNJIVMHWPHBIC-UHFFFAOYSA-N	312.398	3.570	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccnc2Cl)cc1	171349995	ONPMFGAIFDQXLP-GXDHUFHOSA-N	311.772	3.843	50	20	DHGD	
O=C(CCc1ccncc1)NN(c1ccccc1)c1ccccc1	171421542	IDEVLANKGZCYBB-UHFFFAOYSA-N	317.392	3.884	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2ccc(F)cc2F)cc1	176153345	CNTBPILVVSLSDU-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1	179485585	HWYRNDVTJCVNKN-LBPRGKRZSA-N	302.324	3.768	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)cc(Cl)c1O	254989451	XTYLDDXRLAIVTC-WZUFQYTHSA-N	317.728	3.746	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)cc(C)c2)cc1	255344352	IMWDHSIXORGFLG-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
C=C(CBr)CN[C@@H](C)c1ccc(OC(F)F)cc1	279835631	ZIQYCTDCCBOODT-JTQLQIEISA-N	320.177	3.890	50	20	DHGD	
Cc1nnc(N(C)C(=O)CCCC[C@@H]2CCSS2)s1	291890854	OTNNRGAXAJCFSN-SNVBAGLBSA-N	317.505	3.523	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)[C@H](C)CC)cc1OCC	726430797	YUMFKLKBOPYISC-DSQDWWTGSA-N	311.381	3.619	50	20	DHGD	
COc1ccc(NNC(=O)c2cc(SC)ccc2Cl)cc1	729273085	FPQPNJYHKJTZDP-UHFFFAOYSA-N	322.817	3.827	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1ccc2c(c1)CCCC2	734264914	YXCDTLDPOSHDQN-CQSZACIVSA-N	309.413	3.953	50	20	DHGD	
C[C@@H]1CCC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)[C@@H]1C	734651789	ACPCFWSFNVUNJK-JRKPZEMJSA-N	315.339	3.555	50	20	DHGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1c[nH]nc1C	735410354	BFDWDEGVHHPDBI-UHFFFAOYSA-N	324.384	3.571	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1C)c1cc(F)ccc1F	743429687	XFGOLURRRWEOEZ-UHFFFAOYSA-N	302.324	3.817	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2nc(C)c(C)s2)cc1	744253363	RCOIOZQHWRQDMF-OVCLIPMQSA-N	312.394	3.719	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1ccc(O)c(C)c1	747643664	NOXKXUGQQUHWIA-UHFFFAOYSA-N	320.751	3.647	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCSc1ccc(F)cc1	748562271	CIFDSXYKNHXBNG-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2cccc3cnccc23)c1	748773305	JWTMHLRXJAUAJG-CQSZACIVSA-N	305.381	3.790	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(Cl)nc2)c1C	748995020	UYTAZOQGDFSLMZ-RIYZIHGNSA-N	311.772	3.898	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)c3cc4ccccc4o3)c2c1	749828918	KCAIBFCQKRBYKO-UHFFFAOYSA-N	317.348	3.986	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2c(C)cccc2C)cc1	755576509	NYUKOJQNWZNPQK-BOPFTXTBSA-N	311.406	3.950	50	20	DHGD	
CCc1noc(C)c1COC(=O)/C(C#N)=C/c1ccc(C)cc1	757965192	NSWKPRGBVKCKGE-OQLLNIDSSA-N	310.353	3.504	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C[C@H](C)CCC#N)cc1	765995720	YKLVVAITNJJYOB-OAHLLOKOSA-N	315.417	3.767	50	20	DHGD	
CC(Cc1ccncc1)=NNC(=O)c1c(Cl)cccc1Cl	767782394	JRLJVPDXXKVUIG-UHFFFAOYSA-N	322.195	3.737	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1C[C@@H](c2ccccc2)c2ccccc21	769328686	NCGJNAQIKOUZHP-ZWFBASDOSA-N	318.376	3.609	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc2cc[nH]c12	775286476	UJWIGXKDHACNDW-GFCCVEGCSA-N	309.207	3.916	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1cccc(F)c1F	776259884	SKTKZQDLXBOMAN-UHFFFAOYSA-N	314.291	3.865	50	20	DHGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)C(=O)C1CCCC1	780153665	QJIKJDJAIWDISX-RQZCQDPDSA-N	323.371	3.737	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1c(C)[nH]c2ccc(F)cc12	782223268	NKDXFXRGPXHDNF-UHFFFAOYSA-N	309.344	3.688	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)cc1	783836384	ZTUDEZSSPDEGJE-UHFFFAOYSA-N	323.783	3.875	50	20	DHGD	
CN(NC(=O)c1c[nH]cc1-c1ccccc1F)c1ccccc1	787878747	JNLICQLHIMBOOM-UHFFFAOYSA-N	309.344	3.602	50	20	DHGD	
COc1cc(NNC(=O)/C=C(\C)c2ccccc2)ccc1Cl	790177361	DAKUSGKPBBWAMN-ZRDIBKRKSA-N	316.788	3.895	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1ccccc1F	794940104	WIUPKGPBRHZXMG-RIYZIHGNSA-N	323.323	3.931	50	20	DHGD	
C=C(CBr)COC(=O)CCn1ccc2ccccc21	795402189	XSMBLBSECCLAKZ-UHFFFAOYSA-N	322.202	3.526	50	20	DHGD	
N#C/C(=C/c1cc(Br)cs1)C(=O)c1ccoc1	798230369	QGKDEOXXOSJAPP-OQFOIZHKSA-N	308.156	3.893	50	20	DHGD	
CCOC(=O)NN=C(C)CCc1ccc(C(F)(F)F)cc1	800805632	WSGCCGCNHHVPCC-UHFFFAOYSA-N	302.296	3.760	50	20	DHGD	
CCCN(NC(=O)c1ccc(Cl)cc1)C(=O)OC(C)(C)C	804591225	HQUUSAATEKTCDB-UHFFFAOYSA-N	312.797	3.632	50	20	DHGD	
CCCN(NC(=O)c1cc(C)sc1C)C(=O)OC(C)(C)C	804595049	GCGGOSFNTSTUMB-UHFFFAOYSA-N	312.435	3.657	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC(CO)(c2ccccc2)CC1	814647017	JOKHQOGAPAZEIG-RGVLZGJSSA-N	318.420	3.577	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)[C@@H](C)Oc1ccccc1F	814746995	PSIVDMTZWKCAIC-CYBMUJFWSA-N	306.381	3.832	50	20	DHGD	
O=C(CSc1ccccc1O)NN=C1CCC[C@@H]1CCCF	814969418	WDTGRYADAIWDFE-GFCCVEGCSA-N	324.421	3.506	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)Nc1cc(F)cc(F)c1	815006216	AXCJWISUGWAGFR-UHFFFAOYSA-N	321.352	3.888	50	20	DHGD	
CC(C)[C@H]1N(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC12CCC2	816798511	OIOPMLDYVDIKEW-XBNGYDHASA-N	312.388	3.770	50	20	DHGD	
CCCCSc1ccc(Cl)cc1C(=O)NN(C)C1CC1	819649716	JFLDNBNFDDNYEZ-UHFFFAOYSA-N	312.866	3.971	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccc(C(C)C)cc2)C1(C)C	837052559	HOGAMKOCAUZGNZ-WBVHZDCISA-N	316.445	3.895	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCc2nc3ccccc3[nH]2)cc1	837058247	LXNRTJVGRKLOLK-UHFFFAOYSA-N	322.412	3.762	50	20	DHGD	
CS[C@@H]1CCCC[C@H]1NC(=O)[C@H](Br)C(C)(C)C	846347749	IARSTCZMTBUSEW-MXWKQRLJSA-N	322.312	3.586	50	20	DHGD	
Cc1nc([C@@H](C)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)no1	852523773	BHCNNCOJKMPVPB-YPMHNXCESA-N	311.502	3.535	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccc(Cl)cn1	856093861	RHVQZGSYHVMLLW-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
CC(C)/C=C\c1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881382279	LCVQSRAZOZQUTR-YZKQYGISSA-N	318.646	3.644	50	20	DHGD	
CC[C@H](C)C(=O)NN=C/C(Br)=C/c1ccccc1	915973559	AIOKQEPSSRTUKR-LIHCNHGMSA-N	309.207	3.571	50	20	DHGD	
O=C(NCc1cc2ccccc2o1)NNc1ccccc1Cl	916643964	NLKUUZZKPKXSPE-UHFFFAOYSA-N	315.760	3.913	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(CC)CC2)cc1	918659092	SWDHSERKHCNMIE-GHRIWEEISA-N	312.413	3.641	50	20	DHGD	
Cc1cccc(COc2ccc([C@H](C)NC(=O)CCl)cc2)c1	1253962825	CMLCCNCKBNCHML-AWEZNQCLSA-N	317.816	3.990	50	20	DHGD	
CN(Cc1cc2ccccc2[nH]1)C(=O)C1CCC(Cl)CC1	1263765571	VDXNVWIVDPDAEL-UHFFFAOYSA-N	304.821	3.924	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2ccc(Cl)cc2)cs1	1319517640	DGPGRLSUIPBKSK-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
CCCN(C(=O)CCl)[C@H](C)c1ccccc1Br	37654236	PSLNWRDCZSBJTB-SNVBAGLBSA-N	318.642	3.988	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1)C(=O)c1c[nH]c2cc(F)ccc12	44027047	ITVQIHPUMGIJOR-SDQBBNPISA-N	306.296	3.802	50	20	DHGD	
CC(C)Oc1ccccc1NC(=O)NNc1ncccc1Cl	92424161	QEZDIQGTQKVACH-UHFFFAOYSA-N	320.780	3.671	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Br)c(C)c2)cc1	114888613	FPAJMJCNNFOUKU-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NNc1cccc2c1CCCC2	120421302	ILOHBXPFGWPCCT-UHFFFAOYSA-N	319.408	3.733	50	20	DHGD	
O=C(NNc1ccncc1)Nc1ccc(SC(F)F)cc1	121744565	ZCFXOXSZAKIIMP-UHFFFAOYSA-N	310.329	3.545	50	20	DHGD	
O=C(Cc1csc(-c2cccs2)n1)NNc1ccccc1	123095421	MHRSUSCGXXFFJN-UHFFFAOYSA-N	315.423	3.557	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1nc2ccccc2s1	128387522	PSZAYRBGVRGOTH-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)cc(Cl)n1	132739106	GAIDVHIXUJULAU-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
COc1cccc([C@H]2CCCN2C[C@H](C)CBr)c1	133523964	XTYIDZLRZVNGMQ-IUODEOHRSA-N	312.251	3.863	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)cc2C1	133908346	SGGLFBWZEJYWEU-WSVATBPTSA-N	323.327	3.657	50	20	DHGD	
C[C@H](CBr)CN[C@H](C)c1ccc(-n2cccn2)cc1	152794832	VSBRJTZMOKTSTP-CHWSQXEVSA-N	322.250	3.554	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cn(-c3ccccc3)nc2C)c1	158650763	AXQWWUPFZICEOX-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(Cl)c1	171764868	XPVOHKPSFNKVIB-UXBLZVDNSA-N	313.687	3.578	50	20	DHGD	
COc1ccc(CCC(=O)NNc2ccc(Cl)c(F)c2)cc1	175412646	XMQHZSONGKKALV-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
O=C(CCCOc1cccc2ccccc12)NNc1ccncc1	180504675	JUFDYDAZGSNIIK-UHFFFAOYSA-N	321.380	3.537	50	20	DHGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccncc3)c2c1	180525370	LMRMCDXGHAYKEI-UHFFFAOYSA-N	318.380	3.573	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cc(OC)c1	212146344	XWKBHBPWKIXEOP-ZSOIEALJSA-N	319.364	3.655	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	255863702	PNUACJTVOIQSFT-MFOYZWKCSA-N	317.348	3.623	50	20	DHGD	
CCN(C(=O)[C@@H](Br)C(C)(C)C)c1nc(C)cs1	274551626	DQJHPFQLPCWQMV-SECBINFHSA-N	319.268	3.614	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	293741524	RKURZOQELWTHHF-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	490942415	ODWIGNNOSYLYTK-WOJGMQOQSA-N	320.392	3.575	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cn(C)nc1C1CCCCC1	588425176	VEPWPIRIHXUBNA-PTNGSMBKSA-N	315.417	3.718	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)CNc1ccc(C)cc1C	729636913	RJJMFEBNIFVSCF-UHFFFAOYSA-N	315.442	3.512	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1C	734304851	YFXWQAYDSCDOHJ-WOJGMQOQSA-N	320.392	3.535	50	20	DHGD	
COc1ccc(CCC(=O)NN=CC2CCCCCC2)cc1	741839720	OQAGGWUKIOVMLJ-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCCC2CC2)c(C)n1CC(C)C	742777984	UVMBNRMCKWIYGX-ZDLGFXPLSA-N	313.445	3.584	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2C[C@@H](C)C[C@H](C)C2)cc1	747754405	YBFQEWNEBADQDN-KBPBESRZSA-N	302.418	3.556	50	20	DHGD	
CC(C)Cc1ccc(CCC(=O)NNc2cccc(C#N)c2)cc1	752142109	ICUBKVURMJNGAR-UHFFFAOYSA-N	321.424	3.833	50	20	DHGD	
C[C@H](CC=NNC(=O)COc1ccc(F)cc1)c1ccccc1	755550739	BCHLMQDTOPDCQQ-CQSZACIVSA-N	314.360	3.500	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)s1	763103400	VGFWBFOTDDSQOP-UKTHLTGXSA-N	312.394	3.919	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C(C)CC3CC3)n[nH]2)cc1	764787570	OREMRRTUDNMIFA-UHFFFAOYSA-N	310.401	3.545	50	20	DHGD	
O=C(NN=Cc1cc(F)c(F)cc1F)c1cc2ccccc2o1	767788517	MWQUPIPZXPDGRQ-UHFFFAOYSA-N	318.254	3.614	50	20	DHGD	
O=C(NN=Cc1cccc(-c2cccnc2)c1)c1ccccc1F	768477045	TXRYHOIUWDYLDS-UHFFFAOYSA-N	319.339	3.652	50	20	DHGD	
C[C@H](C(=O)OC[C@@H](C)CBr)c1ccccc1F	770367158	HAIHOEVBBCQQOA-UWVGGRQHSA-N	303.171	3.503	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ncc(Cl)cc1Cl	775273938	XEWCJOJVOGUZET-QMMMGPOBSA-N	304.221	3.904	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(Cl)c1OCC	779797908	HBNJHLHDWCNNGO-RAXLEYEMSA-N	307.777	3.989	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(Br)c2)[C@H](C)C1	783850242	QHMRAURUAJUEKF-WDEREUQCSA-N	323.234	3.991	50	20	DHGD	
C=CC[C@@H]1N(C(=O)/C(C#N)=C\c2ccc(O)cc2)CCCC1(C)C	787582744	VCLMHMRQSKQKSR-ZUTYSQTGSA-N	324.424	3.892	50	20	DHGD	
C=C(CBr)CN1CCc2c(Cl)cccc2C1	791470224	DSHSNCNGCLXTRZ-UHFFFAOYSA-N	300.627	3.649	50	20	DHGD	
N#Cc1cccc(NNC(=O)CC2CC(c3ccccc3)C2)c1	798981115	AWHSEKZTVLPBOY-UHFFFAOYSA-N	305.381	3.585	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cccc(C2CCC2)c1	799099938	IYCNPFCSHPMLQO-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
CCC[C@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802092062	ANHQMQRMHARPJS-QMMMGPOBSA-N	318.204	3.582	50	20	DHGD	
CN(NC(=O)N[C@H]1CCCCC12CCCC2)c1ccccc1	812930545	NRHKSIFUCOIUHL-INIZCTEOSA-N	301.434	3.840	50	20	DHGD	
CC(F)(F)c1ccc(C(=O)NNc2ccc(F)cc2F)cc1	815852913	NOKHNCLSADVGEI-UHFFFAOYSA-N	312.266	3.833	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(OC2CCCC2)cc1	816628793	KNJFNBCVLXBSKI-UHFFFAOYSA-N	316.228	3.884	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)cc1	830776689	SQTPIANXXLOFRK-HKUYNNGSSA-N	319.408	3.660	50	20	DHGD	
COCC1CCC(=NNC(=O)c2cccc3ccccc23)CC1	834960935	AKFALPHMAWOEDC-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ccc(C(C)C)cc1)CC2	837059665	XGAISZDAYFTQOJ-GOSISDBHSA-N	324.424	3.992	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1(c2ccccc2)CCCC1	840480116	QKYBDQDTXDCELH-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
CSC1(C(=O)NNc2ccccc2Cc2ccccc2)CC1	846464898	UZHJEVBRDCFDHE-UHFFFAOYSA-N	312.438	3.616	50	20	DHGD	
CCC(Cc1ccc(C(F)(F)F)cc1)=NN(C)C(=O)OC	853343782	SHJILYBTQUUILI-UHFFFAOYSA-N	302.296	3.712	50	20	DHGD	
O=C(NNc1nccc2sccc12)C1CCC2(CC1)CC2	857127218	OECZAYSOCJFJLK-UHFFFAOYSA-N	301.415	3.710	50	20	DHGD	
BrC[C@H](CN1CCC[C@H]1c1cccnc1)C1CC1	859210652	MJDNAIHQYCQTKJ-CABCVRRESA-N	309.251	3.640	50	20	DHGD	
N#Cc1ccnc(COC(=O)CCCC[C@H]2CCSS2)c1	908778325	AXOZSPKJPBIVFF-AWEZNQCLSA-N	322.455	3.711	50	20	DHGD	
CCCn1cccc1C=NNC(=O)Cc1cccc2ccccc12	918152734	OHQJRYYDMSIALE-UHFFFAOYSA-N	319.408	3.744	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)NCCc2cccs2)cc1C	920831660	WPQZWWPBBLYHIS-UHFFFAOYSA-N	315.442	3.549	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1cn(C)nc1C(C)C	931247195	LSPRZYROPGMJBJ-UHFFFAOYSA-N	321.812	3.654	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)ccc1[N+](=O)[O-]	1319735650	ZUOBTIJSKQWGDL-ZROIWOOFSA-N	322.320	3.702	50	20	DHGD	
O=C(N[C@@H]1C[C@H]1c1c(F)cccc1F)C1CCC(Cl)CC1	1348601922	XQFPBFUSYGJTSW-BXTUAPDASA-N	313.775	3.735	50	20	DHGD	
CCCCCCCCC(=O)NNc1ccc(C(=O)O)c(F)c1	1605267136	QJDTZJOLFHKLOX-UHFFFAOYSA-N	310.369	3.718	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(O)c(Br)c1	8131941	DYUAGFDWZGIFHV-UXBLZVDNSA-N	308.175	3.677	50	20	DHGD	
COc1ccc2nc(/C=C/c3cnn(CCCl)c3)sc2c1	57738717	WSDVXWLOIJQFBH-GORDUTHDSA-N	319.817	3.911	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)c(C)n1C1CC1	60914003	FIOLXAJTRJRNSQ-UHFFFAOYSA-N	303.793	3.850	50	20	DHGD	
O=C(Cl)Oc1ccc(Br)cc1Br	117617279	DIORTMNPYLGPNO-UHFFFAOYSA-N	314.360	3.949	50	20	DHGD	
CCOc1c(Cl)cc(/C=C(/C#N)C(=O)C(C)C)cc1OC	128083945	MLQNUWXSTFNTGB-SDQBBNPISA-N	307.777	3.879	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnn(-c3ccccc3)c2C)c1	136125785	CJEDRNOLUDZUKM-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
BrCCCc1cccc(I)c1	139961857	ANRBAHQNDSQRQL-UHFFFAOYSA-N	324.987	3.619	50	20	DHGD	
Cc1[nH]c2ccc(Cl)cc2c1C(=O)NNc1ccc(C#N)cc1	152775892	UEBFUXUYUCLJSK-UHFFFAOYSA-N	324.771	3.758	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2cc(F)c(F)c(F)c2)c(C)c1	155423548	NLLXECAUGFZNTR-UHFFFAOYSA-N	308.303	3.786	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1Cl)c1ccc(F)cc1	158303028	WDPNRJMYTHVBCO-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
COc1c(C)ccc(NC(=O)NNc2ncccc2Cl)c1C	179734843	SQXVVAWOMQGNKF-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
CC(C)(C)c1ccc(/C=C/C(=O)NNc2ccnc(F)c2)cc1	182507220	QPNJYBFGXFVJQG-RMKNXTFCSA-N	313.376	3.675	50	20	DHGD	
Cc1cc(Br)ccc1/C=C(/C#N)C(=O)OC(C)C	255108900	XCIAOJJISJWOOQ-GHXNOFRVSA-N	308.175	3.616	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc([C@@H]3CCOC3)c2)c1	270944077	WRZWDOAGFDZQGZ-QGZVFWFLSA-N	310.397	3.564	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2cnn(CC(F)F)c2)n1	292336131	OAYYHRVGTNQMHT-QDEBKDIKSA-N	308.357	3.792	50	20	DHGD	
CSc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)s1	490979550	YPUAWAOSJWHXMM-UKTHLTGXSA-N	314.435	3.693	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2CC2(C)C)c1C	732798058	URQWVRVXACCORZ-STKCSNAVSA-N	313.445	3.584	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1nc(C)cc(C)n1	733950221	RJBIMPHVBUWDTF-OAHLLOKOSA-N	304.438	3.533	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)o1	734093883	XKFUYQQGXDQIEE-BXKDBHETSA-N	318.760	3.526	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1cc(C)oc1C	747361980	HDFJIRGYVYRNMJ-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@H]1CCc2ccccc2C1	748549888	SLZBYXJJUHEXKU-AWEZNQCLSA-N	312.388	3.772	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccsc1	749099532	PPZQKYNEKKRBQM-UHFFFAOYSA-N	302.443	3.805	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@@](C)(CC)C2)cc1	758665722	POENKXJZXQWLGF-KVVHSQDJSA-N	312.413	3.641	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3c2OCCCO3)cc1	764892053	RLIALCNOVKIGMC-ATVHPVEESA-N	319.360	3.946	50	20	DHGD	
CS[C@H](C(=O)OC[C@@H](C)CBr)c1ccccc1	770383213	RRFOYZAEBRMRKM-JQWIXIFHSA-N	317.248	3.665	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(F)cn1	770595260	CLSRDRFGFJEWDE-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(Cl)cn1	774387266	ABKZQLRPZYPQBS-UHFFFAOYSA-N	313.744	3.635	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)C2CCCC2)c1	781555976	SQEJJWVHDGLCEZ-MDWZMJQESA-N	321.323	3.963	50	20	DHGD	
CCc1c(C(=O)NNc2ccccc2F)cnn1C(CC)CC	790806253	BPIBHCVYTVHLRE-UHFFFAOYSA-N	318.396	3.703	50	20	DHGD	
COc1ccc([C@H](C)C(C)=NNC(=O)CC(C)(C)C)cc1OC	794508102	KTNIIGHPODLVFZ-GFCCVEGCSA-N	320.433	3.736	50	20	DHGD	
O=C(CCc1ccccc1)NN=C/C=C/c1ccc(F)c(F)c1	794906616	VGIWDCJFHJFJGJ-KGSLMKHMSA-N	314.335	3.713	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1coc(C(C)C)n1	799482201	QHPVDFVLYHOPLU-UHFFFAOYSA-N	311.341	3.698	50	20	DHGD	
Cc1cc(=O)oc2cc(N(C)C[C@@H](C)CBr)ccc12	805770165	GSMZMRKDYKUQSO-JTQLQIEISA-N	324.218	3.569	50	20	DHGD	
CN(Cc1ccccc1N(C)C)/C(=C\C#N)c1ccc(F)cc1	808784569	IKRKSELXSRRMJE-UNOMPAQXSA-N	309.388	3.888	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2ccc3ccccc3n2)c(C(F)F)n1	812241596	KJJMSJCYEXLQLM-XYOKQWHBSA-N	310.307	3.970	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(-c2ccco2)[nH]n1	812769447	HLTVHTGVDKCSSF-UHFFFAOYSA-N	324.384	3.858	50	20	DHGD	
O=C(NN=C1CC[C@@H](Cc2ccccc2)C1)c1ccccc1O	814695358	YMWHWDCGFGUCLA-HNNXBMFYSA-N	308.381	3.521	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1cc(-c2ccccc2)[nH]n1	814706652	KZUCZAPKDHNTON-UHFFFAOYSA-N	310.401	3.929	50	20	DHGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1ccc(C(C)(C)C)cc1	828550998	WLGWCQHHLBUJJI-RISCZKNCSA-N	307.463	3.504	50	20	DHGD	
CC1(C)C[C@]1(C(=O)NNc1cc(Cl)ccn1)c1ccccc1	831795122	XXSWQLOZVZVGAX-QGZVFWFLSA-N	315.804	3.546	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1cc(F)ccc1Br	839879127	PMAMGTQPAIPSOJ-CLFYSBASSA-N	315.186	3.778	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1Cl)C(=O)OC1CCCCC1	840734715	KBYQDEIADJWXAH-XFXZXTDPSA-N	305.761	3.828	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)c1ccc(Cl)cc1	848081429	XQYYKMOJJCYJFL-UHFFFAOYSA-N	308.636	3.880	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)C12CCC(CC1)C2	859633329	CMXBWBSEJRLHMN-KSGYAGIASA-N	301.224	3.531	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1csc(C(F)(F)F)c1	863180521	PMIMNWYRCYQQFT-YHYXMXQVSA-N	302.321	3.590	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cc1c[nH]c2ccccc12	899892872	OOCHXZXFVUCJFG-UHFFFAOYSA-N	324.336	3.841	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CC=CCC2)C1	912582543	AEXQDGSMYUUIKO-GJZGRUSLSA-N	309.526	3.965	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1sccc1Br	915048305	FPIHLGPHVOKXPJ-UHFFFAOYSA-N	319.224	3.759	50	20	DHGD	
C/C(C=NNC(=O)COc1cc(C)cc(C)c1)=C/c1ccccc1	916296174	WVSIXGSXBGEHLX-AJXSMBRLSA-N	322.408	3.888	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H]1c1ccc(O)cc1	1123664977	DXGPRGDJETVXPZ-ZBCRRDGASA-N	307.821	3.853	50	20	DHGD	
C[C@@]1(CNC(=O)c2cccc(CCl)c2)CC1(Cl)Cl	1262627318	ONAVQJAOISVLIE-LBPRGKRZSA-N	306.620	3.739	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3ccc(C)c(Cl)c3)ccc2o1	1321491538	KLVYXWPMLUNBQN-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
Cc1cccnc1NNC(=O)/C=C/c1cc(Cl)cc(Cl)c1	1324515853	CHVMYADBYVEDPG-SNAWJCMRSA-N	322.195	3.853	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2(Sc3ccccc3)CC2)c1	1335413504	QWVZWZREXGUOFV-UHFFFAOYSA-N	316.401	3.902	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccccc2)c1C	1530028711	BNFLMSCDFFGCSY-UNOMPAQXSA-N	321.424	3.738	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1CCCC(=O)O	1573463033	WCJAJXLUXXDKCJ-AWEZNQCLSA-N	315.530	3.728	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2ccccc2F)cc1	92425494	NXHZTRYQVJUVCV-UHFFFAOYSA-N	303.337	3.762	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c(C)nc2sc(C)cn12	125518765	VYCCGKUQCXBIEY-QVASGMJFSA-N	301.415	3.925	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ncnc3ccsc23)cc1	132953624	LIAVXNHOSPIRQA-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1F	177661631	YJBUHUXABOIBNU-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl	178948225	KTGVMTPWRINQGA-NCXKZPMSSA-N	313.184	3.615	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1	179132082	FGVAPTSGPDPRGF-KAMYIIQDSA-N	312.369	3.655	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1OC	212673626	PEJCLWLQDFSYMA-LCYFTJDESA-N	311.312	3.633	50	20	DHGD	
Cc1cc(OC(=O)CSc2ccc(F)cc2)ccc1[N+](=O)[O-]	248004934	VERZYEFBLFDIFJ-UHFFFAOYSA-N	321.329	3.740	50	20	DHGD	
Cc1cccc(OCC(=O)NN=Cc2cccc3ccccc23)c1	254706393	SEPZUTFMFXMWNZ-UHFFFAOYSA-N	318.376	3.677	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C2CC2)ccn1	491102883	JNNBOAVUTUHLPR-OQLLNIDSSA-N	307.328	3.644	50	20	DHGD	
COC(=O)N(C)N=C(C)c1sc(-c2ccc(F)cc2)nc1C	496317992	AZGZMSVPDNJEGV-UHFFFAOYSA-N	321.377	3.680	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)Nc1cccc2ccccc12	588523598	DQVWKVIPBAHLAE-GDNBJRDFSA-N	317.323	3.920	50	20	DHGD	
COc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)cc1	727779380	ZSASCRMRPBKFQB-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CC(C)CC[C@H]1CCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	727945896	VXODDCOQCPNXNS-WBVHZDCISA-N	314.433	3.789	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1cc(C)ccc1OC(F)F	728428853	KQUCUABNOSPTPM-UHFFFAOYSA-N	312.360	3.873	50	20	DHGD	
COCc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1	741763674	CUFHSLYCLBMSCP-UHFFFAOYSA-N	318.376	3.750	50	20	DHGD	
CC1(C)C(C(=O)NNc2cccc(C(F)(F)F)c2)C1(C)C	746410771	JKLBUODDIBEDAX-UHFFFAOYSA-N	300.324	3.831	50	20	DHGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1cccc2c1CCCC2	748588277	IJEULJJIYOJYAR-OAHLLOKOSA-N	318.461	3.850	50	20	DHGD	
Cc1cccc2ncc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)n12	748994817	SYHIGTKOSDPPIN-NTEUORMPSA-N	304.309	3.615	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cnc(C)s1	761266455	HJLGFMVXEDYFPB-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1C#N	766288749	FOCGRFJQHMEJCP-BOPFTXTBSA-N	307.397	3.565	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	768495586	LWWBGQZZJNLZBU-HZSPNIEDSA-N	312.417	3.613	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1OCC(C)C	771702450	ZYNGUOKYJANCBQ-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CC(C)CC[C@H]1CCC[C@H]1NS(=O)(=O)CCCCCl	780767984	AZKDDNYRFXYBGN-ZIAGYGMSSA-N	309.903	3.530	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@H](C)[C@@H]2C)cc1	781121710	DBTYRMAOAFLGSK-KBPBESRZSA-N	302.418	3.556	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(-c2ccccc2C)c1	786045265	ZXJUKUGAIKUVFX-ATVHPVEESA-N	311.406	3.961	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)CC(C)C)c(Br)c1	794690707	IZLJTZGRGQCKAU-GHXNOFRVSA-N	322.202	3.980	50	20	DHGD	
CCCN(N=C(C)c1ccc2c(c1)OCO2)C(=O)OC(C)(C)C	794992850	KYNYWRRZQSEAKW-UHFFFAOYSA-N	320.389	3.786	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C2=CCCCCC2)c(Cl)c1	802050291	VHVHWKJPAFXMIC-UHFFFAOYSA-N	321.808	3.692	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CSc1ccccc1Cl	808246998	OAJKGCFJIDHIAU-UHFFFAOYSA-N	312.649	3.694	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	812242147	NKMJOIMQLQUMCN-QCDXTXTGSA-N	317.266	3.902	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@H](C)c2ccc(F)cc2)cc1	817911395	QHNGMWSHGFOPOE-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
CC(C)CC(CC(C)C)C(=O)NNc1oc(C(C)C)nc1C#N	822854568	PHEYXBSELAAKGU-UHFFFAOYSA-N	320.437	3.821	50	20	DHGD	
C[C@@]1(CC(=O)NNc2ccc3ccccc3n2)CC1(Cl)Cl	827883708	NHFIYGLFCODOCB-CQSZACIVSA-N	324.211	3.652	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	832963014	PMMFIRVMWRJVER-UHFFFAOYSA-N	315.339	3.760	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1cc(C(F)(F)F)ccn1	832963456	ZNOTYQLAOLWBRL-JTQLQIEISA-N	315.339	3.760	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCCC1(C)C	840546029	YDUDVWSEUHIGMA-SNVBAGLBSA-N	310.829	3.523	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)n1c(C(C)C)nc2ccccc21	840723294	VMPIYZMVMJBYPH-XNTDXEJSSA-N	319.412	3.977	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1cccc(F)n1	853441800	BLXJHLBNKXVINT-UHFFFAOYSA-N	313.376	3.694	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1ccnc(C2CC2)c1	859632443	ANGVPXSISPBIKM-CYBMUJFWSA-N	324.218	3.537	50	20	DHGD	
CCOc1ccc2nc(CSCCCCl)nc(O)c2c1	871601737	PAXXPMGYSSHGTH-UHFFFAOYSA-N	312.822	3.596	50	20	DHGD	
CCCCn1nc(C)c(C=NNC(=O)OC(C)(C)C)c1Cl	916266773	FTHKFFABJLMILH-UHFFFAOYSA-N	314.817	3.504	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)c(Cl)c2)c(C)n1C1CC1	1118889760	SYGLMKZNGQQHBY-UHFFFAOYSA-N	321.783	3.989	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)c1ccc(F)cc1F	1320368082	RKZQUVTZTKYQSM-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
COc1ccc(COCc2cccc(NC(=O)CCl)c2)cc1	1341509381	CARLQROECNNKCO-UHFFFAOYSA-N	319.788	3.589	50	20	DHGD	
CC1(C)[C@H](C(F)(F)F)CCN1C(=O)C1CCC(Cl)CC1	1351892292	NVKZUNNVSORHBR-VQXHTEKXSA-N	311.775	3.973	50	20	DHGD	
C[C@@H](OC(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	1593583840	BPNRJITVKLDGPQ-ZCFIWIBFSA-N	320.235	3.974	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(C(=O)O)ccc3F)[nH]c12	1777448249	IEBJGROPVAFASU-MDWZMJQESA-N	321.311	3.773	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1OC	43080262	WCQGCDCRCWQVCF-GDNBJRDFSA-N	317.385	3.733	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)c1	78934594	ORLZMIBNMFQWMG-VXGBXAGGSA-N	300.324	3.807	50	20	DHGD	
CN(C)c1c(Cl)cccc1NC(=O)NNc1ccc(F)cc1	92425976	FJJBYRDUFGHKJC-UHFFFAOYSA-N	322.771	3.694	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)s1	150869514	JVDYIFWHLAKPRM-UHFFFAOYSA-N	319.386	3.711	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC	172692309	HNVKKHOYWUNPKB-XTCQQWIJSA-N	317.385	3.625	50	20	DHGD	
O=c1[nH]c(CSCCCCl)nc2cc3ccccc3cc12	180971605	SBVSFKFHYINBEN-UHFFFAOYSA-N	318.829	3.938	50	20	DHGD	
CC(C)Sc1ccccc1NC(=O)NNc1ccncc1	183087535	BRMGZKUZGNITQG-UHFFFAOYSA-N	302.403	3.731	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(F)nc2)c(C)c1	186380433	JLXIIAZRWOYNFJ-NVNXTCNLSA-N	309.344	3.692	50	20	DHGD	
CC(C)Sc1ccccc1NS(=O)(=O)CCCCCl	190801684	GMGFHPICZIMMEV-UHFFFAOYSA-N	321.895	3.948	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2csc(C3CC3)n2)c1	209261089	UPCPZIBKJQHFQA-NTUHNPAUSA-N	310.378	3.819	50	20	DHGD	
COC(=O)NN=C(C)c1ccc2ccccc2c1OC(F)F	254770975	GFAICPIOKVFZEI-UHFFFAOYSA-N	308.284	3.521	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)CCc2ccccc2F)cc1	266972970	AIZDUZBBMXEVIL-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
CC(C)C[C@H](C#N)NC(=O)CCCC[C@H]1CCSS1	726559715	NRPJCUVDTWEDHO-OLZOCXBDSA-N	300.493	3.755	50	20	DHGD	
CCCC(=NNC(=O)Cc1csc(C)n1)C1CCCCC1	727777867	XMIMWATVFYGZEV-UHFFFAOYSA-N	307.463	3.847	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2cc(F)ccc2F)c(C)c1	729622180	OWLWRXRTHHXALQ-UHFFFAOYSA-N	319.355	3.716	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cccc2cccnc12)c1ccccc1	731931959	VCLAXKZOTGDAQD-GOSISDBHSA-N	317.392	3.879	50	20	DHGD	
O=C(Cc1ccccc1O)NN(c1ccccc1)c1ccccc1	750872855	SOAJFGHOAJXDNC-UHFFFAOYSA-N	318.376	3.804	50	20	DHGD	
N#Cc1ccccc1C=NNC(=O)c1cc2c(s1)CCCCC2	755588461	BORHWPUYAGBZLX-UHFFFAOYSA-N	323.421	3.653	50	20	DHGD	
Cc1ncccc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425015	HQQBFNXJJZRGIE-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
O=C(NN=Cc1csc(Cl)c1Cl)c1ccc(O)cc1	761743641	DJEXOPZPQDNMHZ-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
N#C/C=C\COc1ccc(Br)cc1Br	763301392	PMDXPTARDALZTJ-UPHRSURJSA-N	316.980	3.670	50	20	DHGD	
COc1ccc(OCCN(C)/C(=C/C#N)c2ccccc2)cc1	764158648	HYWBEWZZFLNRML-XDHOZWIPSA-N	308.381	3.570	50	20	DHGD	
C[C@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)CC12CCC2	768385149	SFTKLVFOCVSWHQ-RYUDHWBXSA-N	316.283	3.835	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Br)c(F)c1)C(C)(C)C	771674735	LFKXPZHGBSPIOS-QMMMGPOBSA-N	317.202	3.714	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1cc(Cl)ccn1	778447950	WUQFWUNDZDASRC-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	782198305	ZWYYFJQNYFYCMZ-GZTJUZNOSA-N	317.392	3.930	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2Oc2ccncc2)c1	801602767	YVDQXFIWYGBTSG-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CC(C)(C)c1ccccc1NC(=O)NNc1cccc(F)n1	806113920	BVCIEHFCOAIXIP-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
CSSCCNC(=O)NCc1ccc2ccccc2c1	806740324	RBJRRGMVDUNLEU-UHFFFAOYSA-N	306.456	3.650	50	20	DHGD	
COC1CCC(N(C)CCO[Si](C)(C)C(C)(C)C)CC1	808728088	NUVPYRZDDYYBEC-UHFFFAOYSA-N	301.547	3.898	50	20	DHGD	
C=C(CBr)COC(=O)Cc1cccc(Cl)c1F	811334395	PHYHTJAUTSVWRW-UHFFFAOYSA-N	321.573	3.516	50	20	DHGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)[C@@H]1CCCOC1	811627967	JLXOVQXUJLGCKK-BZFUBLJMSA-N	315.316	3.670	50	20	DHGD	
N#CSCCCNC(=O)CCc1ccc(Cl)c(Cl)c1	816539315	AXYVVGYVUCTQMN-UHFFFAOYSA-N	317.241	3.647	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCC[C@H]1CC1(Cl)Cl	820571219	HHDFSJJAZHYRGR-FSBNRTBOSA-N	310.180	3.721	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2ncc(F)cc2F)cc1	837207970	GFYCMRQGEVRMCN-JTQLQIEISA-N	305.328	3.630	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1sccc1C(C)C	846642661	FOSXLTLDTSVIHO-UHFFFAOYSA-N	308.378	3.776	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1c(Cl)cccc1Cl	848751746	UKOJGLJEFVDIJR-POHAHGRESA-N	324.163	3.579	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccco2)c(C)c1	849177856	SPRDQGYPVOOEHM-WJDWOHSUSA-N	324.380	3.600	50	20	DHGD	
COCCC1(C(=O)NNc2cc(F)cc(Cl)c2)CCCC1	855618755	PWIPPWUZSSNFCG-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
COC1CCC(CC(=O)NNc2cc(F)cc(Cl)c2)CC1	855619019	ZPNAOBURZOILBK-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1ccc(Cl)cn1	856093038	OXRGBUWSSYJROW-CYBMUJFWSA-N	317.820	3.837	50	20	DHGD	
C[C@H](NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1)C(F)(F)F	862312750	SXGUVDWPPRHIDD-COLVAYQJSA-N	322.330	3.515	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C(C)C)c(C)n1CCC(C)C	875113214	CRZZFJBMQNMWKM-WOJGMQOQSA-N	315.461	3.925	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@@H]2c2ccccc2)cc1	1116045759	FAUZHHYGMVYUSV-QGZVFWFLSA-N	308.381	3.749	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1occ(C)c1C	1117142828	HUTVCNNMOHRGTM-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
Cc1cc([C@H]2CCCN2C(=O)c2cccc(CCl)c2)no1	1338672879	FZHOBACWOMIVOS-OAHLLOKOSA-N	304.777	3.699	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1nc(C2CC2)cs1	1347824278	QEOJMJZWNCPHDQ-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
O=C(N[C@@H]1CCO[C@H](c2ccccc2)C1)C1CCC(Cl)CC1	1351764637	XERRYYPHMPGSJS-BACDZXNISA-N	321.848	3.821	50	20	DHGD	
Cc1ccc(OS(=O)(=O)c2ccc(CCCCl)cc2)cc1	60372441	COEICQIMBJYRCR-UHFFFAOYSA-N	324.829	3.934	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccccn1)c1cccc(Cl)c1	79213464	VESILPPTCCLRHT-ZDUSSCGKSA-N	304.781	3.512	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2c(F)cccc2F)c(C)c1	88392599	HXEHHZSITAUIFT-UHFFFAOYSA-N	304.340	3.576	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccsc1	122934627	UHOJMFCAXAIVOU-VIFPVBQESA-N	312.341	3.596	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(-c3ccccc3)cc2)nc(C)n1	129024609	ZLAAIVDBMZKJGC-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(C#N)c1)c1ccc(C)cc1	152285344	QGQRLLAVEFXNTL-MRXNPFEDSA-N	307.397	3.894	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)NNc2ccccc2Cl)c1	158542564	PLVFAUVZGQLWPW-LLVKDONJSA-N	304.777	3.595	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc(F)c1F	158713259	MKVQIXKULCZWLY-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
Cc1csc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)n1	181419402	BOQFFSUDGZRDDU-UHFFFAOYSA-N	318.446	3.575	50	20	DHGD	
O=C(NNc1ccncc1)c1ccccc1Sc1ccccc1	183014663	JYMUDRNBOKSTLB-UHFFFAOYSA-N	321.405	3.990	50	20	DHGD	
CCOC[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(C)C	190965009	RRQIAUZBUFBRGM-UONOGXRCSA-N	319.536	3.878	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)ccc21	255897507	BBHPOSRSYUGWCO-WJDWOHSUSA-N	305.337	3.651	50	20	DHGD	
Cc1nnnn1Cc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	287673347	YGJUJAWATUSCEO-UHFFFAOYSA-N	318.497	3.552	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1C[C@H]1c1ccc(Cl)s1	365949320	IWWNCYJGTXJUDT-RKDXNWHRSA-N	310.781	3.787	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)C(=O)c1cccc(F)c1	588597478	RAHMPPXVRDHGPO-SXGWCWSVSA-N	317.323	3.801	50	20	DHGD	
CCCc1ccc(C(=O)/C=C\c2cnn(CCCl)c2)cc1	728700256	MONUIDVBIPVVHT-TWGQIWQCSA-N	302.805	3.971	50	20	DHGD	
Cc1c(C(=O)NNc2c(F)cccc2F)oc2ccccc12	735698576	SCEUQOZWLPAOAS-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1cccc(Cl)c1	744773469	PEONLQGFRGKNHX-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2cccc(Br)c2)C1	748030451	SGSIROIJEUVGSD-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)/C=C\c1ccco1	748750660	KMJMKWRFUQBGCG-ALCCZGGFSA-N	321.174	3.507	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C1Cc2ccccc2C1	762970059	CNWCZAZUVGFCFT-UHFFFAOYSA-N	311.337	3.532	50	20	DHGD	
COC(=O)NN=C1CCC[C@H]1c1ccc(C(F)(F)F)cc1	776757877	BORUTXAMLRQFKS-NSHDSACASA-N	300.280	3.685	50	20	DHGD	
CS[C@H]1CC[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C1	780834549	MTJUDNNPWHJALV-GJZGRUSLSA-N	321.490	3.894	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(OC(F)(F)F)cc1	780991948	JVKWBKZYXTYFEO-KTKRTIGZSA-N	302.296	3.775	50	20	DHGD	
N#C/C(=C\c1cc(O)ccc1Br)C(=O)C1CCCC1	781555796	PDJYVASYGWJYOO-KPKJPENVSA-N	320.186	3.821	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2c(C)cc(C)cc2C)CCO1	782016620	HPABXNKMUYWBFD-CVEARBPZSA-N	304.434	3.650	50	20	DHGD	
CSSCCNC(=O)N1CCC(c2ccccc2)CC1	790881350	ACKMWEOMIHWQTE-UHFFFAOYSA-N	310.488	3.587	50	20	DHGD	
C=C(CBr)CN(C)CCOc1ccccc1Cl	791441541	CKWATAUQGONLHO-UHFFFAOYSA-N	318.642	3.602	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(Cl)ccn1	791732413	LWZTXPAFAOUSOZ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CCC(F)(F)C2)c(C)c1	797559387	LSLOWEDFHPZMPM-ZDUSSCGKSA-N	311.376	3.673	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cccc(Cl)c1)c1cccnc1	797812707	ZIBISGKZFXQEQU-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
CC[C@@H]1C[C@H]1NC(=O)NNc1c(Cl)cc(F)cc1Cl	798120476	LGVVYQLVEVEFII-LHLIQPBNSA-N	306.168	3.557	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2nc(C)ccc2o1	799754482	JNRVCEWIYRLPSV-UHFFFAOYSA-N	309.369	3.764	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCOc1ccccc1F	799756315	YSEHPEVURHIFKO-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2c(s1)CCC2	799761647	MPBTXHJDNXLIQD-UHFFFAOYSA-N	300.427	3.865	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=CCCC1CC1	807951787	APVHQAZJJKHOCC-AWEZNQCLSA-N	310.397	3.899	50	20	DHGD	
C=CCOc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)c1	812244909	NKTDBBBDWJBWKH-NTEUORMPSA-N	307.309	3.619	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc(C#N)cc2)CCCC1	813494411	LHSVZGYNUKABGT-UHFFFAOYSA-N	319.408	3.822	50	20	DHGD	
CC[C@@H](C)CONC(=O)NNc1ccc(Cl)cc1Cl	813824899	ANYSEVDKCIGDLV-MRVPVSSYSA-N	306.193	3.597	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ncc(C(C)C)s1)c1ccccc1	814845100	GHGPGTPCBAHFOF-CQSZACIVSA-N	315.442	3.910	50	20	DHGD	
N#CC1(CC(=O)NNc2cccc3cnccc23)CCCCC1	830813101	CJSBFEQDGDPPKJ-UHFFFAOYSA-N	308.385	3.542	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(c2cnccn2)CC1	853896706	IGULMBUWTYFUEL-UHFFFAOYSA-N	307.514	3.715	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)c(C)c1	860318354	UGMFLRCZWSNOMF-FGTMMUONSA-N	306.409	3.641	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1	885144756	KFVWCEIPJMQSFP-BDAKNGLRSA-N	322.277	3.777	50	20	DHGD	
CCC[C@H](C(=O)NNc1c(F)cc(F)cc1F)c1ccccn1	885151810	NTBAXUXCMOARMA-NSHDSACASA-N	323.318	3.526	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ncccc2Cl)s1	894961473	MBBRPJIABSSIIX-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccc(C(=O)O)nc2)s1	899371089	NCSFUTLVVJJNSN-WDZFZDKYSA-N	313.382	3.598	50	20	DHGD	
CCCCCCNC(=O)NNc1ccccc1C(F)(F)F	918148684	WQMKSFVBMIDHKB-UHFFFAOYSA-N	303.328	3.912	50	20	DHGD	
Cc1cc(NNC(=O)CCCC2CCOCC2)ccc1Cl	928340241	VABJCIBMGIWKGM-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC(=O)CCl	1116439325	UYAVFUPYMYHBCL-UHFFFAOYSA-N	305.809	3.656	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	1337626330	XIJTUOAPAJIHKT-POHAHGRESA-N	319.769	3.906	50	20	DHGD	
O=C(NC[C@H]1CCCC2(CCC2)O1)c1cccc(CCl)c1	1353810202	LDCGWNIJBLPONR-OAHLLOKOSA-N	307.821	3.647	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1	6410495	GHORIFJVNGVMQK-MHWRWJLKSA-N	306.365	3.863	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)cc1F	8198760	DZULRALUOVNKKX-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
Cc1nn(C)c(Cl)c1/C=C(\C#N)C(=O)c1c[nH]c2ccccc12	54302610	SRJJKOYTYZHFCL-YRNVUSSQSA-N	324.771	3.653	50	20	DHGD	
Cc1cn2c(/C=C(/C#N)C(=O)c3ccsc3)c(C)nc2s1	58344375	WGTZEJPOWHWGQF-XGICHPGQSA-N	313.407	3.864	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	78162210	WLDNKZLDQUWMIX-XFXZXTDPSA-N	305.447	3.654	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@H](C)c1ccccc1)c1ccccc1	110344983	LUIVXYMZJDIOHG-YJBOKZPZSA-N	324.424	3.521	50	20	DHGD	
O=C(CSCc1cccc(Cl)c1)NNc1ccccc1F	153025039	YSSKQXIKOUJRQM-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1	159047271	MCYVTFBMHCBZMJ-OLZOCXBDSA-N	316.351	3.828	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)c2cccc(OC)c2)c1C	160705695	ZERWSELCFAVFRP-WJDWOHSUSA-N	323.396	3.708	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)c(F)c2)sc1C	175465541	AQQBNZCPUBEAJI-UHFFFAOYSA-N	300.305	3.539	50	20	DHGD	
N#C/C(=C\c1cccn1Cc1ccccc1C#N)c1ccccn1	187759398	TXGPSZJIUWHTGN-LDADJPATSA-N	310.360	3.867	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c[nH]nc2-c2ccsc2)c1	188849352	JOTFZAAVTUUDLM-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC(F)F)c(OC)c1	263691657	RLJYLADHEVSWKU-BZPKPHBRSA-N	309.312	3.819	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ncc(C(C)(C)C)s1	280720240	UKXOCTAUFITCCH-DHZHZOJOSA-N	312.460	3.520	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCCc1csc(C)n1	281737918	JTPUHYLKVZRXSL-UHFFFAOYSA-N	317.458	3.788	50	20	DHGD	
CCc1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)s1	588429683	HROGKWQZSYJZHY-UKTHLTGXSA-N	314.385	3.673	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1F)C(=O)NCc1ccccc1	588542601	CQUQLCOEVDGJKV-ZSOIEALJSA-N	314.747	3.702	50	20	DHGD	
N#C/C(=C/c1cccn1Cc1ccccc1C#N)c1ccccn1	588542798	TXGPSZJIUWHTGN-PDGQHHTCSA-N	310.360	3.867	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1c(F)cccc1F)c1ccccc1	735756279	PLOLKOAEYJRMEG-OAHLLOKOSA-N	319.355	3.988	50	20	DHGD	
COc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1F	741465541	OVXYGTPLNADNKP-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
CCCCCCN(C)CC(=O)NNc1c(C)cc(C)cc1C	743764208	DOQAHQQZPUECEL-UHFFFAOYSA-N	305.466	3.567	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1ccccc1F	748049423	YNGBHCNXQZZBSZ-WWGRRREGSA-N	308.397	3.643	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccc(C#N)s2)c(Cl)c1	748788719	JHJNVYWHSPCUTA-UHFFFAOYSA-N	318.789	3.737	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC2CC(C)C2)c1C	752450941	PKROXRTVMOOCBZ-GZTJUZNOSA-N	313.445	3.727	50	20	DHGD	
CS[C@@H](CNC(=O)NNc1ccccc1Cl)C(C)(C)C	753292264	QHMRIJQPGHQNLH-LBPRGKRZSA-N	315.870	3.744	50	20	DHGD	
Cc1cccc(C)c1COC(=O)/C(C#N)=C\c1ccc(O)cc1	754548447	DMLRLVXAKISUPB-YBEGLDIGSA-N	307.349	3.659	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(Cl)cccc2Cl)c(O)c1	764329492	VJMHIYMVZBXFSL-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
C#C[C@@H](OC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C)C1CC1	767519623	DNZSBYLRDQIAGV-TVNWYLLRSA-N	324.424	3.767	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cccc(C#N)c2)c1Cl	770051273	HLUALSHCPSBJIQ-UHFFFAOYSA-N	300.749	3.669	50	20	DHGD	
CC(C)C(NC(=O)NNc1ccc(OC(F)F)cc1)C(C)C	770415548	LSWYVHIZWQSFMX-UHFFFAOYSA-N	315.364	3.595	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(F)c(C#N)c3)[nH]c12	770571101	ADKAYLAPPCQCLJ-RIYZIHGNSA-N	302.312	3.946	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	779898780	LRCGUMPEBQAXHO-OLZOCXBDSA-N	321.490	3.810	50	20	DHGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)C1CCCC1	781552606	APUNVARYYOJIPW-NTEUORMPSA-N	305.324	3.997	50	20	DHGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)CCc2ccccc2O)C1	783841682	JYCRXTSZYAIRCO-HUUCEWRRSA-N	302.418	3.643	50	20	DHGD	
CCCN(C)C[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	788022960	RHVJGQUIIOFFQO-MRXNPFEDSA-N	314.590	3.672	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1c(F)cccc1OC(F)(F)F	789130671	PVWMPVJQPDDLCO-TWGQIWQCSA-N	317.238	3.583	50	20	DHGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc(C2CCC2)cc1	792323574	RWOSEEAESARSSI-UHFFFAOYSA-N	317.392	3.681	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)o1	809159407	OUSAYENNJXBWIV-XNTDXEJSSA-N	323.348	3.863	50	20	DHGD	
CC[C@]1(C)COCCN1Cc1ccc(OCCCCl)cc1	811489465	CQGAVOCOHFKFJK-QGZVFWFLSA-N	311.853	3.695	50	20	DHGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1ccc(Br)c(C)c1	812508796	AGPXCFXRAUVJKN-ZYHUDNBSSA-N	311.223	3.637	50	20	DHGD	
O=C(NN=C(Cc1ccc(F)cc1Cl)c1ccoc1)C1CC1	814699416	CMLDCEMDEKXKDW-UHFFFAOYSA-N	320.751	3.545	50	20	DHGD	
CCc1nc(NC(=O)NNc2ccc(C)c(F)c2)sc1C	821460250	WJFJMDJPEAMCMO-UHFFFAOYSA-N	308.382	3.610	50	20	DHGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCCC[C@H]1C	834914240	NNMSWSVRTOGJQS-ABAIWWIYSA-N	303.362	3.527	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837037180	GZXLNGZWEOYPBE-GFCCVEGCSA-N	324.396	3.518	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)N2[C@@H](C)CC[C@@H]2C)cc1	837055788	LPANWRGCOKXUMX-KKUMJFAQSA-N	303.450	3.514	50	20	DHGD	
COC(=O)c1oc(/C=C(/C#N)c2nc(C3CC3)cs2)cc1C	853007516	BIGLFSFQVLBRHL-WDZFZDKYSA-N	314.366	3.773	50	20	DHGD	
Cc1cc(C)c([C@H](C)NC[C@]2(C)C[C@H]2Br)c(O)c1	857082869	REAOQYMIMWXPTN-LNSITVRQSA-N	312.251	3.833	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NN[C@H](C)C(F)(F)F)c2c1	862320136	PHAUZJNTAVYGBT-SECBINFHSA-N	314.307	3.741	50	20	DHGD	
Cc1csc(C(=O)NN=CC2([C@@H]3CCCCO3)CCC2)c1	872392510	NNCYFOKLROZQQE-AWEZNQCLSA-N	306.431	3.512	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccccc1OCc1ccccc1	916291055	LCOUTMZIIKZRHL-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C)c1	916341033	VVSJSLHAPKICGV-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cccc(OCCCc2ccccc2)c1	916595517	NKSBMESHIVALLI-AQTBWJFISA-N	321.376	3.778	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cnc(F)c(Cl)c2)cc1	935302541	MNSRIIUNPYCNEO-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc(C(C)(C)C)nn1	1319955287	PXWUPKNYLWTWHV-CYBMUJFWSA-N	306.454	3.824	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@@](C)(c3ccccc3)C2)cc1	1343143207	MVEFPEZXHSFOHV-HXUWFJFHSA-N	322.408	3.923	50	20	DHGD	
O=C(N[C@@H]1CCCN(c2ccccc2)C1)C1CCC(Cl)CC1	1346521572	ZVQYIDUYVCZSHP-UYSNPLJNSA-N	320.864	3.569	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044900	LHYXUVFFWYKDKO-LLVKDONJSA-N	305.378	3.709	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc(/C=C\C(=O)O)o2)sc1C	1777489377	BTSVMBZSXVGNAL-GNLLZQBYSA-N	300.339	3.515	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](Cl)CS1	2048532466	UAPSOKRVEPQQFQ-HXNLIRTISA-N	306.855	3.645	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(OCCCC)cc1	40865815	XFJFIDGGFCJWCK-SSZFMOIBSA-N	300.402	3.689	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	160831075	VTIILURQCKSGCV-NWDGAFQWSA-N	318.314	3.946	50	20	DHGD	
CCc1sc(C(=O)NNc2cc(F)c(F)cc2F)cc1C	172090118	XAXSEVPEFCIMRM-UHFFFAOYSA-N	314.332	3.793	50	20	DHGD	
Cc1c(C(=O)NNc2ccncc2)sc2cccc(F)c12	180520888	RUGQXRJOZHAQAC-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc2ccccc2c1O	254443134	SEIVMEBAHJWAOT-UHFFFAOYSA-N	300.358	3.794	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C(C)(C)C)on1	271972198	JSGIQIUFRLQLNF-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1CCO[C@H](CC)C1	281699866	GVYVQAGMZBCRCW-GOEBONIOSA-N	304.434	3.596	50	20	DHGD	
CN(CCc1ccncc1)C(=O)CCCC[C@H]1CCSS1	299538934	UANCYIURAYKEBB-HNNXBMFYSA-N	324.515	3.797	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)C(=O)Nc1nccs1	490844928	RHOAHGXIVVRNBZ-VZLSHGEGSA-N	317.320	3.523	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C/SCc2ccco2)cc1	493704856	INAXTKIPQUVKFX-PKNBQFBNSA-N	318.398	3.569	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1C#N	588597472	LIECZZPAWXLCGZ-RZNTYIFUSA-N	324.286	3.635	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC	726428874	PURSBCBVDMFGEF-QVIVLVACSA-N	322.202	3.980	50	20	DHGD	
CC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1C	731316739	HWJCSYWJAFCSGH-UHFFFAOYSA-N	323.371	3.629	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(Oc2ccccc2)nc1	732266112	KUMQCUFNLYZCNA-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
Cc1cccc(NNC(=O)C(C)(C)Oc2cccc(Cl)c2)c1	732997092	SKXIAXZXLUHIFQ-UHFFFAOYSA-N	318.804	3.949	50	20	DHGD	
CCOC(=O)NN=C(C)c1ccc(-c2ccccc2OC)cc1	741451791	ONEJIXMIXARXEN-UHFFFAOYSA-N	312.369	3.832	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=CC1CCCCCC1	741839039	ZNJDKJBCVQYRLO-ZDUSSCGKSA-N	306.381	3.665	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)C[C@H](C)CC)cc1	748566404	COSVYNQRERWDAQ-YHZJOHHESA-N	314.429	3.887	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1sc(C(C)C)nc1C	751128160	XITHUZBRTJILBQ-UHFFFAOYSA-N	301.415	3.729	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2[C@@H](C)CC[C@H]2C)c1C	757792612	BHBNLCUCINPPDT-NLTUMJQJSA-N	313.445	3.821	50	20	DHGD	
COc1ccc2oc(C=NNC(=O)c3ccccc3C)cc2c1	763354821	OTOYEGJWLTZJTA-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
Cc1c(NC(=O)NNc2ccccc2Cl)cnn1CC(C)C	770087493	LHOILEUGRIWNPA-UHFFFAOYSA-N	321.812	3.650	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)OC[C@@H](C)CBr	770404131	PHQOSMYAZJZCQF-JMJZKYOTSA-N	317.248	3.734	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)c1cccc2ccsc12	774788485	RAIMDRJWJNNIAD-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc(C(C)C)n1	777478863	LHLKUHSLWGDMNE-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
C[C@@H]1C[C@@H]2CCCC[C@@H]2N1C(=O)[C@@H](Br)C(C)(C)C	781092447	VXCIJGBGOUAGNB-MROQNXINSA-N	316.283	3.976	50	20	DHGD	
CC(C)CC(=O)NN=C[C@@H](C)c1ccc(C(F)(F)F)cc1	788975266	NSTDHOGELXJSQS-LLVKDONJSA-N	300.324	3.957	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCF)C12CC3CC(CC(C3)C1)C2	794871001	TVPLCJUCNLCMJY-URZJAHPPSA-N	306.425	3.835	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(-c2ccccc2)[nH]1	795509268	JGIMHWGJJQATHV-UHFFFAOYSA-N	320.186	3.790	50	20	DHGD	
CSc1ccccc1[C@H](C)NC(=O)NN(C)c1ccccc1	799396593	ZIQRSXBWAIWALA-ZDUSSCGKSA-N	315.442	3.820	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2ccccc2c(O)n1	799755777	JRVKVZMCMCINNE-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2cccc(F)n2)cc1	804769664	OVGHGHMGHASONY-CYBMUJFWSA-N	315.392	3.981	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)cc1C	809147158	XZQKIAVRLRLIMM-NVNXTCNLSA-N	322.320	3.707	50	20	DHGD	
CC[C@@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@@H](C)O1	811458942	SFSAQJQOFPOYMG-GDBMZVCRSA-N	311.853	3.694	50	20	DHGD	
CCc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1O	813493987	TWQIUAPPJWOIOP-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2ccc(Cl)cc2)s1	814688416	WKSIBPCMQBSKSK-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ncccc1Cl	815853617	SNIFXNIDSSIBBT-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCCC(=O)C(C)(C)C	831243082	GBAAKRIOZHHDAX-UHFFFAOYSA-N	304.434	3.786	50	20	DHGD	
Cc1c(/C=C(/C#N)C(=O)OCCC2=CCCCC2)cc(C#N)n1C	835721977	BXQAIYJOKXLORL-YVLHZVERSA-N	323.396	3.546	50	20	DHGD	
CC(C)(CCCCCl)c1nc(O)c2cc(O)c(F)cc2n1	841500222	GAFMDZQSAYQHRW-UHFFFAOYSA-N	312.772	3.867	50	20	DHGD	
O=C(CCc1c(Cl)cccc1Cl)NCC(Cl)Cl	848069254	SJWJGJQZEBVUMR-UHFFFAOYSA-N	315.027	3.846	50	20	DHGD	
CCCN(N=Cc1ccc(C(=O)O)c(F)c1)C(=O)OC(C)(C)C	853344167	GFDQSYWJTLYHAD-UHFFFAOYSA-N	324.352	3.505	50	20	DHGD	
C[C@]1(CNCc2ccc3ccccc3c2O)C[C@@H]1Br	857063598	NUKIIHSWDPDBBG-GOEBONIOSA-N	320.230	3.809	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C	914528365	XDKVBZIPCRKNHK-PDGQHHTCSA-N	321.424	3.788	50	20	DHGD	
O=C(COc1ccc(F)cc1)NN=Cc1ccc2ccccc2c1	916331431	LNGAWAQLMAEMSP-UHFFFAOYSA-N	322.339	3.508	50	20	DHGD	
C[C@H]1C[C@@H]1CNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	916640509	KZWHULHMULILCT-NKWVEPMBSA-N	322.623	3.929	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c1	919684479	QBGOBQUKPXDOOQ-GFCCVEGCSA-N	315.325	3.621	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(C(F)(F)F)[nH]2)c(C)c1	1117798539	WSAPAVDCVHLXDF-UHFFFAOYSA-N	311.307	3.716	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1nccc2sccc12	1318529745	SIHJTCLGZGZBJU-UHFFFAOYSA-N	301.415	3.566	50	20	DHGD	
O=C(NN=Cc1ccc2c(c1)CCCC2)c1ccccc1Cl	1324085060	AVVPDTSFLXYGKY-UHFFFAOYSA-N	312.800	3.983	50	20	DHGD	
CCCCC[C@H](CC)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1605254940	JJLMRLKUVWMCRL-NSHDSACASA-N	323.345	3.805	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(/C=C\C(=O)O)o2)c1C	1777443721	NGTAKBOXKMLHGE-MYSCJDEHSA-N	321.332	3.784	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	13137327	COOJGFHVDYGFRY-LFIBNONCSA-N	306.365	3.786	50	20	DHGD	
N#Cc1cccc(NNC(=O)NCc2cccc3ccccc23)c1	60565938	XIKLODIKSICSRR-UHFFFAOYSA-N	316.364	3.538	50	20	DHGD	
CCCn1cc(NC(=O)CCCC[C@H]2CCSS2)cn1	80736936	CBGBTIRIEHAOQJ-ZDUSSCGKSA-N	313.492	3.946	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2C)o1	114991457	DUHGQVYIVNQKDU-RAXLEYEMSA-N	312.344	3.827	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cnc3ccccn23)c1	119131815	RGXNPGQFEXVYLZ-MHWRWJLKSA-N	301.349	3.741	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c(O)c(OC)c1	125516680	FKVLHZXSABVSKW-OGGBREFQSA-N	307.777	3.966	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc3c(c2)CCO3)nc2ccccc21	125797585	LCXINTDHGCKIQE-PTNGSMBKSA-N	301.349	3.572	50	20	DHGD	
O=C(Cc1ccc(C(F)(F)F)cc1)NNc1ccccc1F	153234628	DXGZNZXVXKLMGI-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc2c(s1)CCCCC2	153300313	AESVKTNDUZGKLU-UHFFFAOYSA-N	304.390	3.913	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1	158653804	NXKGWEKSPWUHKC-LGMDPLHJSA-N	312.413	3.745	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3c(C)cccc3F)[nH]c2c1	184339102	DISLDGFUHUMRFD-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)c1ccc([N+](=O)[O-])cc1	191208359	XOFNJOIOMOGZPS-NTCAYCPXSA-N	316.320	3.845	50	20	DHGD	
Cc1ccc2nc([C@@H]3CC[C@H](Br)C3)nc(O)c2c1	277519833	NWDRQLDZVRTGCX-ZJUUUORDSA-N	307.191	3.675	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1ccc2c(c1)CCCC2	728699237	DFWCUQJXJMXYKC-VMPITWQZSA-N	314.816	3.897	50	20	DHGD	
CCC(CC)=NNC(=O)Nc1cc(Cl)c(OC)cc1OC	741772635	XNLXUEHNWFSJKA-UHFFFAOYSA-N	313.785	3.655	50	20	DHGD	
CC(Cc1ccccc1C)=NNC(=O)c1cccc2ncccc12	743439637	FACHRGFELNMCDJ-UHFFFAOYSA-N	317.392	3.892	50	20	DHGD	
Cc1noc(C(F)F)c1C(=O)NNc1cccc2c1CCCC2	748574268	WYPKZTFENKNMQS-UHFFFAOYSA-N	321.327	3.556	50	20	DHGD	
CC(C)CCSCC(=O)NNc1cccc2c1CCCC2	748577939	TYZNTNBGTLVZGX-UHFFFAOYSA-N	306.475	3.788	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1ccc(Cl)cc1	749274148	HGPPQEQYHJPNSD-HNNXBMFYSA-N	318.804	3.949	50	20	DHGD	
Cc1cc(NC(=O)NNc2ncccc2C)cc(C(F)(F)F)c1	753240130	QWCRGESHBJNWLW-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
COc1cc(OC)c(NC(=O)NN=CC(C)(C)C)cc1Cl	755745895	OIBJYPLNDZNCGU-UHFFFAOYSA-N	313.785	3.511	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2ccncn2)c(Br)c1	758911583	JTTGCSHGDYXRHK-KPKJPENVSA-N	300.159	3.612	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc(Cl)cc2cccnc12	763138191	QUTQUAIWHASHIZ-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)OC)co2)cc1	763173736	BTQWIUIVYCZQMM-OQLLNIDSSA-N	323.348	3.809	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC(C)CC3)n[nH]2)c1	764791115	ZPRRAQVSWYCMJT-UHFFFAOYSA-N	324.428	3.989	50	20	DHGD	
CCO[C@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1Cl	766431590	OTRGTTLRMAYHML-ZDUSSCGKSA-N	315.200	3.668	50	20	DHGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1cccc(C#N)c1	768209613	RTHVWGAICMMZPU-MFKMUULPSA-N	323.234	3.545	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(Cl)cc1O	768325057	RMHVKKOCVLDNFW-JTQLQIEISA-N	320.614	3.794	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)cc1OC	781100876	PHDVIXBNLWBXOJ-LDADJPATSA-N	318.376	3.571	50	20	DHGD	
C/C(C=NNC(=O)OC(C)(C)C)=C/c1cccc([N+](=O)[O-])c1	787148289	USDFJXDEIOFXGH-UGUFNEBFSA-N	305.334	3.509	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cccnc2Cl)CCC1	788587314	CJMUZSJNSROUKW-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
C=C(CBr)CN[C@H](CC)c1cc(F)ccc1F	791493572	SXBCLZMVUVLDAO-CYBMUJFWSA-N	304.178	3.957	50	20	DHGD	
Cc1ccc2c(c1)CCN(/C(=C\C#N)c1cccc([N+](=O)[O-])c1)C2	792312818	OXYLIGVRPKFJJR-GXHLCREISA-N	319.364	3.826	50	20	DHGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)c2ccc3c(c2)OCO3)C1	794455695	IOFDLWMTHZCHMO-ZDUSSCGKSA-N	316.401	3.737	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(N(C)C)cc1	799375292	FFIQTXFHRJCVEZ-UHFFFAOYSA-N	312.417	3.772	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)Nc2cc(C)c(Cl)c(C)c2)n1	799519481	YZUIQJULIZCNHY-UHFFFAOYSA-N	319.796	3.512	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)COc1ccccc1Cl	799754567	MGARFSWAUFZULF-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
CCCN(NC(=O)c1sccc1Cl)C(=O)OC(C)(C)C	804595886	NVOJOZIHFMOOSN-UHFFFAOYSA-N	318.826	3.693	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1ccc(OC)cc1OC	807969773	LOMBCYLUGBHQIJ-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1ccc(Cl)c(Cl)c1	808248200	FRSJFHMMBIXTMG-UHFFFAOYSA-N	315.027	3.798	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc3ccccc3n2)s1	810917682	RWMAZTQKNOGGEH-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cn(C)nc3C(F)F)[nH]c12	812243775	USGNYSNWXZPUNV-UXBLZVDNSA-N	313.311	3.607	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCCC23CCCC3)cc1OC	814700654	ZMIBWKPBEWKPCI-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CC(Cc1ccc(F)cc1)=NNC(=O)Cc1c[nH]c2ccccc12	814747320	VATWWJDIVCCVCE-UHFFFAOYSA-N	323.371	3.584	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816702521	QNXQODZIYCLTCL-SNVBAGLBSA-N	318.339	3.983	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	834437883	DBQARWMUXUOVAU-HKJBKDEOSA-N	321.376	3.751	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCCCCC(=O)C2)c(Cl)c1	836934732	FZVWACRUNYXJOD-GFCCVEGCSA-N	308.809	3.631	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(C(C)C)cc2)c1C	837052875	MIWOCGLOQXNPMX-UHFFFAOYSA-N	314.433	3.872	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2sccc2CN(C)C)cc1	837054917	YVHSCLHARTXLSS-UHFFFAOYSA-N	317.458	3.690	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@@H]2OC(=O)c3ccccc32)cc1	837058541	QTZKEKHXFWRAAE-KRWDZBQOSA-N	324.380	3.555	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccoc2)c(C2CCCCC2)n1	840719760	LSRMXKIDBGTDBZ-DHDCSXOGSA-N	309.369	3.851	50	20	DHGD	
COCc1csc(/C=C(/C#N)C(=O)OC2CCCCC2)c1	849179434	ROTFVVDPZOSSBO-JYRVWZFOSA-N	305.399	3.677	50	20	DHGD	
COc1cc(NC(=O)CCCC[C@@H]2CCSS2)ccn1	854511505	PYECVHNZJVGTPM-GFCCVEGCSA-N	312.460	3.743	50	20	DHGD	
CCc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1	916336940	UAWRSJRPRDXIBM-MRXNPFEDSA-N	324.424	3.783	50	20	DHGD	
CC(C)CC(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	916343369	VMKRLSGUPQTCBY-UHFFFAOYSA-N	320.339	3.937	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(C)cc2C)cc1	916345792	MGQWDXFDBNPSHE-UHFFFAOYSA-N	312.438	3.854	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1cccc(F)c1	916345920	ILDZVYHRWNCOGZ-UHFFFAOYSA-N	320.364	3.597	50	20	DHGD	
C/C(C=NNC(=O)CNc1ccc(C)cc1C)=C\c1ccccc1	916358622	XCOWRMOVJRIGKC-VWJKXXJMSA-N	321.424	3.921	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1ccc(C(C)(C)C)nn1	1116553404	LUYLCFLABWODDW-CYBMUJFWSA-N	306.454	3.824	50	20	DHGD	
CCCc1ncc(C(=O)NNc2ccc(C)c(Cl)c2)s1	1318822080	IKZGALPNVITXKL-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C)c2ccccc2n1	1321079712	POXMXQNMCXTSOD-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CSc3ccccc32)cc1Cl	1322986325	NHZDNMAAOUKGAG-CYBMUJFWSA-N	318.829	3.981	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@@H]1CCCC[C@@H]1C	1776045528	QNFRXMGIXFDQQG-XHDPSFHLSA-N	317.389	3.709	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2ccc(O)c(Br)c2)n1	8429346	BCSKPPHTCPTBBG-ONNFQVAWSA-N	321.199	3.984	50	20	DHGD	
CCc1c(C(=O)NNc2cccc(C)c2)cnn1-c1ccccc1	74292073	LGIRVCDUCVSXQN-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
Clc1ccccc1[C@@H](CBr)O[C@H]1CCOC1	82454896	JFXHKZUWJHARNK-JOYOIKCWSA-N	305.599	3.582	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)cc1	158694366	RPGDJRQXIIAMCZ-UONOGXRCSA-N	302.324	3.520	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)c(Cl)n2C)c1	158901912	BHHOZQBUBNOODX-UHFFFAOYSA-N	312.200	3.706	50	20	DHGD	
CCc1ccc(C(=O)NNc2cc(C)ccc2C)cc1[N+](=O)[O-]	159094154	WKCZEKNZTHCKBJ-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
Cc1noc(C)c1[C@@H](C)CC(=O)NNc1ccccc1Cl	161119324	ZCTAHOHGKBSNPJ-VIFPVBQESA-N	307.781	3.582	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)oc1C	162484161	SDFIHHPVRJQGLD-XNTDXEJSSA-N	310.353	3.841	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Br)cc1Cl)C1CC1	175831646	CNVYGEVEIFSSGD-ZETCQYMHSA-N	317.614	3.592	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1cc(F)c(Cl)cc1Cl	731936370	UHDXHWYUSJPEQS-UHFFFAOYSA-N	303.164	3.773	50	20	DHGD	
Cc1cc(NNC(=O)[C@H](C)C(C)(C)C)ccc1Br	734550323	KMZLLFDOUHJCNE-JTQLQIEISA-N	313.239	3.883	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	745874704	COTKXXBAHMAABO-QJPTWQEYSA-N	309.360	3.560	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H]1CCCc2ccccc21	746703766	CRFOIBQGMLBVCM-CYBMUJFWSA-N	320.314	3.667	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)NNc1cccc(F)c1	748090188	AUNHUZBGIGLBON-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)o1)c1cc(Cl)ccc1OC	752175660	OGQALNKIGFVPAM-UHFFFAOYSA-N	320.776	3.794	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C[C@H]1CCc2ccccc21	755563638	OCUSCOCORFTACJ-OAHLLOKOSA-N	317.392	3.542	50	20	DHGD	
Cc1cccc(F)c1NC(=O)NNc1nc2ccccc2s1	764693417	TUCOIZHTBSXEDX-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)[C@@H](Br)C(C)(C)C	768276525	MLLZMSNBSRRYMY-CYBMUJFWSA-N	312.251	3.729	50	20	DHGD	
C[C@@H](CC(=O)OC[C@@H](C)CBr)c1ccccc1F	770358180	DHFFLBFHWGAMRL-QWRGUYRKSA-N	317.198	3.894	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@@H](C)C[C@H]2C)cc1	783831414	KQTKRPJWZPZHGF-ZIAGYGMSSA-N	302.418	3.556	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1(Cc2ccccc2F)CC1	785634623	LPJAJPBIWKWSTB-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
CC1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCCCCC1	787496556	WHRFSDBJXDDSCM-FOWTUZBSSA-N	312.413	3.776	50	20	DHGD	
O=C(NN=C1CCC12CCCC2)c1cc(-c2ccccc2)on1	788709586	MUKYCESENDQFFY-UHFFFAOYSA-N	309.369	3.782	50	20	DHGD	
O=C(NC[C@H]1CCCS1)NNc1cc(Cl)cc(Cl)c1	790425612	UPMOVVLVQYPSKP-LLVKDONJSA-N	320.245	3.515	50	20	DHGD	
Cc1cc(NC(=O)NNc2ncccc2C)ccc1OC(C)C	792312788	GUKBPHILQWGCIW-UHFFFAOYSA-N	314.389	3.634	50	20	DHGD	
CCCN(N=C1C[C@@H](OCC)C12CCC2)C(=O)OC(C)(C)C	794992856	LIDKSNJYLIICAZ-CQSZACIVSA-N	310.438	3.969	50	20	DHGD	
C=C(CBr)COC(=O)/C=C/SCc1ccco1	795550160	GAIHXARYJAZACL-GQCTYLIASA-N	317.204	3.521	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)c(Cl)c1	797020061	KORXZEMKJGSOBJ-LCYFTJDESA-N	318.804	3.704	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)cc1)c1cccnc1	798113336	YAPFHXCDNDKVFU-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNC(=O)Nc1ccccc1C	798312035	POYWSEOFPZRDAX-HNNXBMFYSA-N	317.433	3.754	50	20	DHGD	
CSSCCNC(=O)N[C@@H](c1ccc(C)cc1)C1CC1	806353517	OSFACBOTJAFNDP-AWEZNQCLSA-N	310.488	3.757	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2C[C@@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	809787154	VCPHTGPSJNEZET-HUUCEWRRSA-N	315.300	3.751	50	20	DHGD	
CC1(C)COc2ccc(C(=O)NNc3ccccc3Cl)cc21	810682822	OVVHYXSBXZVHIP-UHFFFAOYSA-N	316.788	3.767	50	20	DHGD	
CC(C)Oc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1	812245591	VHCNMLZLFUGBMJ-NTEUORMPSA-N	309.325	3.841	50	20	DHGD	
O=C(NN=C1CCC2(CCCO2)CC1)Nc1cc(F)cc(F)c1	815005665	PJQIVVQEVLJCLL-UHFFFAOYSA-N	323.343	3.566	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@H]2CCC[C@H]2c2ccccc2)c1	827170483	TYDGAFLEWVEENY-ROUUACIJSA-N	305.381	3.585	50	20	DHGD	
C[C@@]1(COC(=O)/C(C#N)=C\c2ccccc2)CC1(Cl)Cl	837677658	CLPJJSFCPADSGM-VDBIKXPHSA-N	310.180	3.721	50	20	DHGD	
C=CCC[C@H](C(=O)N(C)CC(Cl)Cl)c1ccccc1	848084336	LSRWQUSSWYQHBI-ZDUSSCGKSA-N	300.229	3.999	50	20	DHGD	
CC(C)CC(=O)NN=Cc1oc2ccccc2c1Br	848403364	USJURCKTNSKPFC-UHFFFAOYSA-N	323.190	3.692	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)CC1(C#N)CCCCC1	854842636	BGYKYYAPYSUEAD-UHFFFAOYSA-N	305.809	3.956	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccncc1Cl	857082590	OXQOPLCGATULPR-UWJYBYFXSA-N	303.631	3.559	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	918595821	ZZWRKOHCLZTPEY-SNVBAGLBSA-N	313.785	3.908	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1F	1319571949	LFCFKYVMSYYDKZ-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCc2c(F)cc(F)cc2C1	1348129648	ZDLONOXVORKSNZ-UHFFFAOYSA-N	313.775	3.647	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)s1	1777433697	WBNZYNOWWKPZMM-WDZFZDKYSA-N	315.325	3.684	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)cc2C)cc1	6431596	LFAVRVRSUKZRBJ-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
Cc1ccc(C)c(NC(=S)NNC(=O)CCC2CCCC2)c1	15842895	BIZZOADLGPUJSD-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)NCc1ccco1	55037327	GDAQVYAJOOFUCL-WCIBSUBMSA-N	321.163	3.810	50	20	DHGD	
Cc1ccc(N(C)C(=O)c2c(C)nn(CCCl)c2C)c(C)c1	74509053	FSNRTJKUHRCATF-UHFFFAOYSA-N	319.836	3.632	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NNC(=O)OC(C)(C)C)oc12	98035649	LXFTVZCLOSRNTA-UHFFFAOYSA-N	318.373	3.528	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc2cc[nH]c2c1	103277177	XEAFKGQAVFKQDL-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(Cl)c(Cl)[nH]1	119556114	SUSJSDNEHRVVBT-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)Nc1nccs1	125798987	SRIVJDDWEQBURK-JLHYYAGUSA-N	321.361	3.949	50	20	DHGD	
N#C/C(=C\c1cc(C(F)(F)F)cc(C(F)(F)F)c1)C(=O)O	167752453	SYWLPMVLUPDBNV-LREOWRDNSA-N	309.165	3.716	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1	174188345	OTBYUVVCNLNUBI-GDNBJRDFSA-N	307.353	3.791	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	178947167	IDVWQLFWCCRREZ-BQYQJAHWSA-N	318.682	3.741	50	20	DHGD	
N#C/C(=C\c1cccc2nccn12)C(=O)Nc1ccc(Cl)cc1	180308455	JYXGZUVPLOFANE-ZRDIBKRKSA-N	322.755	3.533	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1ccc(Cl)cc1Cl	184755786	RXZGGFLHFKBONB-UHFFFAOYSA-N	316.637	3.754	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(OCc2ccccc2)cc1	495678057	VBMTVVWNYTYQHQ-UHFFFAOYSA-N	312.369	3.688	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1cc(Cl)sc1Cl	725855180	VTEOEMUMKFUFJT-UHFFFAOYSA-N	302.186	3.537	50	20	DHGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNc1ccccc1Cl	727943443	FBMHEWBLAXAHCZ-AWEZNQCLSA-N	317.820	3.987	50	20	DHGD	
C#Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)cn1	728798980	PJGVTGHXIPKANO-UHFFFAOYSA-N	313.360	3.546	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2cccc(Cl)c2)cc1	729273867	IQZYVSKWIZVAMQ-HZPDHXFCSA-N	316.788	3.595	50	20	DHGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2nccc3sccc23)C1(C)C	734248296	OXTAIGWZXUUDQG-TZMCWYRMSA-N	315.442	3.978	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)Cc1ccc(F)cc1	735030617	YMFGTBRKHWLHLV-OAHLLOKOSA-N	322.424	3.512	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CCC[C@@H]1Cc1ccccc1	735610390	PIEDZPGNTDACQD-QGZVFWFLSA-N	321.424	3.614	50	20	DHGD	
Cc1ncoc1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	747199705	UWCICHLUHRNZHH-UHFFFAOYSA-N	320.563	3.700	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNc1ccc(Cl)cc1	749276155	HPSBYYIXKMACGL-CYBMUJFWSA-N	314.816	3.978	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ccc(Cl)s1	750664791	XNKXTTIIRZYZDB-YRNVUSSQSA-N	319.769	3.757	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1nc(-c2ccccc2)no1	753299663	QLARCOKVLCUJRY-UHFFFAOYSA-N	316.405	3.786	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1cc2c(s1)CCC2	755532353	QESXZVHWBHOZHN-GJZGRUSLSA-N	310.422	3.756	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1csc(-c2ccc(F)cc2)n1	767032861	GQQDOWCPWIDFDT-UHFFFAOYSA-N	321.377	3.808	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc(Cl)cc(Cl)c1	768503832	DXZYGTDECWZRTM-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H](C)C#N)c1C	770930109	OLBPZHDOIGQVGF-OLWAXZHHSA-N	313.401	3.515	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2c(F)cccc2F)c(C)c1	775534519	GOEUQKHOKXMTFJ-UHFFFAOYSA-N	321.327	3.821	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2cccc3ccsc23)cc1	775689958	NZRLDSQLNATZOG-UHFFFAOYSA-N	308.366	3.922	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@@H](C#N)CC)c1C	781144512	HFTXHBRHEDLNSL-BRVCPTFNSA-N	313.401	3.657	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(Br)c2)[C@H](C)C1	783850234	QHMRAURUAJUEKF-GHMZBOCLSA-N	323.234	3.991	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCCOc1cccc2ccccc12	786678680	FLUZDDABYPEUFH-FOWTUZBSSA-N	307.349	3.622	50	20	DHGD	
Cc1ccc(N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1C	787098917	HJPDYNOERBPECU-WJDWOHSUSA-N	306.365	3.579	50	20	DHGD	
COc1cc(NNC(=O)CCCC(F)(F)F)ccc1Cl	790179177	LHAZVQRTFISDCR-UHFFFAOYSA-N	310.703	3.524	50	20	DHGD	
C=C(CBr)CN1[C@@H](C)[C@H](c2ccccc2)OC[C@H]1C	791458154	DYAQKESHAGCZEQ-IJEWVQPXSA-N	324.262	3.788	50	20	DHGD	
C[C@@H]1C(=O)CC[C@H]1CC(=O)NN(c1ccccc1)c1ccccc1	792938282	ATZBQRKKEVLPCQ-HOTGVXAUSA-N	322.408	3.861	50	20	DHGD	
C=C(CBr)COC(=O)C1(Cc2ccccc2)CC1	795541796	AZTUFIZOEPQHAJ-UHFFFAOYSA-N	309.203	3.504	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)C)cc(C)c1OC(F)F	797335616	NOCWFUBAXSWTCU-AUWJEWJLSA-N	322.355	3.584	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Br)c1)C(=O)c1ccoc1	798230939	VHVBOPZAWGNAHX-VZUCSPMQSA-N	318.126	3.538	50	20	DHGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)NC2CCCC2)C1	799109769	IWXYHEKJJRFENN-AWEZNQCLSA-N	314.433	3.645	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1csc(-c2ccccc2)n1	808247291	VMVDHZHDGFPIQG-UHFFFAOYSA-N	315.225	3.686	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1cccc2cccnc12	814824148	LADQOPQTOOESSL-OAHLLOKOSA-N	320.396	3.670	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(Cl)cc1)c1cccc(N)c1	815005118	SFRALWKGTIXSHE-UHFFFAOYSA-N	316.792	3.858	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2ccc3c(c2)CCCC3)cc1	817915829	VAZRKVGRHJJUIS-UHFFFAOYSA-N	324.424	3.650	50	20	DHGD	
C[C@]1(CC(=O)NNc2ccccc2Cl)CC1(Cl)Cl	827176237	PRKDVLFWGZRIKI-NSHDSACASA-N	307.608	3.757	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2scnc2C2CC2)cc1	836483365	RKGWZWHEQYWBPO-UHFFFAOYSA-N	318.402	3.568	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(C(C)C)cc2)CCO1	837052413	DITRZEXRTABYIS-DOTOQJQBSA-N	304.434	3.848	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc(C#N)cc(N(C)C)c2)cc1	837053794	SQEJVWPRLBQEAG-UHFFFAOYSA-N	322.412	3.505	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(SC)s1	840719394	KBNBRHBYNCETRH-FLIBITNWSA-N	301.458	3.549	50	20	DHGD	
Cc1ncccc1CN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852523973	MYGISAZMBFGHAQ-MRXNPFEDSA-N	306.526	3.986	50	20	DHGD	
C[C@@]1(CNCc2ccccc2OC(F)F)C[C@H]1Br	856808099	USVIALOGKUDSLK-YPMHNXCESA-N	320.177	3.551	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)Cc2ccccc2C)cc1	861831336	UMRBVYMXRUTXOE-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)sc2cc(F)ccc12	862321089	YEQBZUCSEREGJH-SSDOTTSWSA-N	320.311	3.534	50	20	DHGD	
C[C@@H](C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1)C(C)(F)F	912583024	VKURGPIQPDXCGS-RYUDHWBXSA-N	321.484	3.900	50	20	DHGD	
O=C(NCCc1cccc2ccccc12)NNc1ccc(F)cc1	916506575	KPOMTOVXAYDTBQ-UHFFFAOYSA-N	323.371	3.848	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccccn3)s2)cc1	920477875	BLXHHSYQFDLYHH-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1nc(C)sc1C	1318442587	SUGBLFONBFDCDN-UHFFFAOYSA-N	307.806	3.567	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NOC(C)(C)C)c1C	1320338500	RZOMCZCBIXXUNB-LFIBNONCSA-N	317.433	3.658	50	20	DHGD	
CCc1cnccc1[C@@H](C)NC(=O)c1cccc(CCl)c1	1346958906	FUSCCBGEQUHCBI-GFCCVEGCSA-N	302.805	3.874	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)cc1	1083632	MMZWLHHVJFUHAQ-JLHYYAGUSA-N	312.756	3.894	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(N)=C(C#N)C#N)c(C)n1C1CCCCC1	102228165	MNHAUQMAIAGLGA-SXGWCWSVSA-N	319.412	3.777	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1cccnc1Cl	122271134	DQSQHSUAKLKBAL-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CCCS1	130518381	KOMKBHPMKFYJFV-VXGBXAGGSA-N	305.534	3.712	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2cccc(C#N)c2)c(C)s1	152288653	LPLCZLHXCOIHDP-UHFFFAOYSA-N	313.426	3.703	50	20	DHGD	
Cc1ccc(-c2ocnc2C(=O)NNc2cccc(F)c2)cc1	154960879	QDWWRECENMURBM-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COc1cc(F)cc(NNC(=O)/C=C(/C)c2ccc(F)cc2)c1	157911193	YCMCISQQCBTABR-XFFZJAGNSA-N	318.323	3.520	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1C#N	184837915	DHBRSEVRVOIGAQ-LICLKQGHSA-N	302.333	3.665	50	20	DHGD	
Cc1ccccc1NNC(=O)Cc1c(Cl)cccc1Cl	192736639	XHGSETQGCCVZBM-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1F	195501994	FUMAXZODHPJJMP-XNTDXEJSSA-N	324.355	3.997	50	20	DHGD	
Cc1ccccc1Nc1nc(CN2CC=C(C#N)CC2)cs1	272717938	YWIRUJMMTLPHDX-UHFFFAOYSA-N	310.426	3.851	50	20	DHGD	
N#C/C(=C\c1cccs1)C(=O)NCc1cccc(Cl)c1	490663235	HXBVRXFLRVCELE-XYOKQWHBSA-N	302.786	3.625	50	20	DHGD	
C[C@@H]1C[C@H](CC(=O)NNc2ccccc2[N+](=O)[O-])CC(C)(C)C1	727364656	RVMJQBDCDPDSFA-CHWSQXEVSA-N	319.405	3.890	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCCOc2ccccc21	728429506	IAYQZKAMSQGXOU-UHFFFAOYSA-N	309.369	3.693	50	20	DHGD	
Cc1cccc(COc2c(C)cc(/C=C(/C#N)C(N)=O)cc2C)c1	734483226	NBGMVBFWIMMVQY-ZDLGFXPLSA-N	320.392	3.583	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)Cc1ccccc1F	735011656	PECRBNXKZLCPBD-AWEZNQCLSA-N	322.424	3.512	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCC(C)(C)CC1	735971041	VKHUWZDYPRIKHH-GFCCVEGCSA-N	306.381	3.665	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	737851052	OVCXBVDJBMCWAD-UHFFFAOYSA-N	322.796	3.659	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@H](C)c1ccccc1	746372132	KMBNJMFJJMQGIF-NSHDSACASA-N	316.788	3.955	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1scnc1Cl	748009406	IWTSVSBHXGXWIR-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
CCCC1(C(=O)NNc2cccc(Br)c2)CCC1	748032283	GRZZWVXSVHKWIS-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1cccc(F)c1	748089392	VXROPWGQCRNTON-WQVCFCJDSA-N	308.397	3.643	50	20	DHGD	
CN(C[C@@H]1OCCc2ccccc21)/C(=C\C#N)c1ccc(F)cc1	750794782	DVBNXMDABKHNEC-SOFZFKJRSA-N	322.383	3.936	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)O[C@H](C#N)C1CCCCC1	766747368	XUZITBUQDIJGRF-NEPJUHHUSA-N	316.239	3.812	50	20	DHGD	
O=C(NNc1cnccn1)Nc1ccc2oc3ccccc3c2c1	769923373	YTUYBKMHRQVVES-UHFFFAOYSA-N	319.324	3.525	50	20	DHGD	
Cc1nc2ccccc2cc1C(=O)OC[C@@H](C)CBr	770315902	HUAGNZYNGWZYNW-JTQLQIEISA-N	322.202	3.731	50	20	DHGD	
COC(=O)c1coc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)c1	774119898	OYKZSNYKKCHVET-WUXMJOGZSA-N	321.288	3.602	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CCCC(F)(F)F	777477505	FLZQCUPPDSQSFR-UHFFFAOYSA-N	311.307	3.719	50	20	DHGD	
C[C@@H](CCNC(=O)NNc1cc(Cl)ccn1)c1ccccc1	778640844	ZFUGKJJRYKAMHJ-LBPRGKRZSA-N	318.808	3.555	50	20	DHGD	
COc1cc(NNC(=O)NC(C(C)C)C(C)C)ccc1Cl	789113705	CAVNIOFOUCEUBH-UHFFFAOYSA-N	313.829	3.655	50	20	DHGD	
COC1(C=NNC(=O)c2ccc3ccccc3c2)CCCCC1	790157575	MQGPSYIPICKPLV-UHFFFAOYSA-N	310.397	3.905	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1cc(C)sc1C	790667370	KVMVJDIWISLXBZ-VIFPVBQESA-N	304.506	3.736	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)C[C@H](C)CC)cc1	791085791	CGZBQLBYFGNMCJ-CYBMUJFWSA-N	321.490	3.783	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1cc(F)cc(F)c1	794943528	LWAPJMNIYYHSGV-UITAMQMPSA-N	321.229	3.738	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c[nH]c2cccnc12	794952466	FTYBSGAVEFZMII-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)C1	796555031	AEUONRCGUSIWSE-ZIAGYGMSSA-N	321.373	3.712	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc([N+](=O)[O-])c1C	799760291	DSAMMPVDGNJMKF-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
Cn1nccc1[C@@H]1CCCCN1CCO[Si](C)(C)C(C)(C)C	808756412	KQXVZSRUBKIFIF-INIZCTEOSA-N	323.557	3.969	50	20	DHGD	
COc1cc(Cl)c(NC(=O)NNc2ccccc2)cc1C	808899790	GOSVPDDRUHBJHC-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CCC[C@@H](C)C1	816486907	XBFHCZFSSXWFAV-VXGBXAGGSA-N	324.856	3.913	50	20	DHGD	
O=C(COC1CCCC1)NNc1ccccc1Cc1ccccc1	846463333	DPDOOWNKBDCHDW-UHFFFAOYSA-N	324.424	3.680	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1Br)C1CC1	856232099	FEOQTIVKFRGYHY-ZETCQYMHSA-N	317.614	3.592	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NC[C@@]2(C)C[C@H]2Br)c1	856808554	AKVMYLDIZPQLIP-TZMCWYRMSA-N	311.223	3.598	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(OC)c(O)cc1Cl	865216717	FTQFZINMHBAJPQ-SDQBBNPISA-N	307.777	3.966	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1c(F)cccc1F	915843640	MMZFLJRFZADTBK-DDHJVWEKSA-N	304.340	3.567	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)cc1C	915984947	OVBSEMGHLNUUHO-GDNBJRDFSA-N	320.348	3.547	50	20	DHGD	
CC(C)(C)c1nc(C=NNC(=O)c2ccc(Cl)cc2)cs1	920356199	KDHAHLKDYSTNLK-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
Cc1cccc(COc2ccc([C@@H](C)NC(=O)CCl)cc2)c1	1253962826	CMLCCNCKBNCHML-CQSZACIVSA-N	317.816	3.990	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1cccc(C(=O)O)c1	1776095029	ZOUYVFZHVMZKJB-CQSZACIVSA-N	316.401	3.873	50	20	DHGD	
Cc1cc(Br)ccc1C(=O)NNc1ccc(F)cc1	48687679	FVELSFYDTUCTMY-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(F)c2)cc1	67427931	CABVOCDPRQQDOB-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@@H]1C[C@@H]1c1ccc(F)cc1	106924459	XZCUFZQVFVXFNE-HZPDHXFCSA-N	321.355	3.621	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cccc2c1CCC2	122035155	MOYNNYJJKRINSV-UHFFFAOYSA-N	318.323	3.534	50	20	DHGD	
CCCN(Cc1ccccc1O)C[C@H](C)CBr	133840407	PBVDIVNVKHEBPJ-GFCCVEGCSA-N	300.240	3.635	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(F)c(Cl)cc2F)c1	154542598	UBAOYKSOOAVIMU-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CCO[C@@H](C(=O)NNc1ccccc1Cl)c1ccccc1	158290391	VMKCDRFYXDBDLD-OAHLLOKOSA-N	304.777	3.561	50	20	DHGD	
CCn1cc(C(=O)NNc2ccc(F)cc2F)c2ccccc21	171932549	JWPXBOKPRSQKET-UHFFFAOYSA-N	315.323	3.696	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)c(F)c1)c1cccc(F)c1	175446362	RTFSUXADAHIARC-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@H](c1ccccc1)C1CC1	179270074	WYCMSFPAEQNGEI-LJQANCHMSA-N	317.392	3.872	50	20	DHGD	
C[C@@H]1CSCCN(C(=O)CCCC[C@H]2CCSS2)C1	191320613	QIUXYCMOASQCOO-STQMWFEESA-N	319.561	3.912	50	20	DHGD	
COc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)cc1	193342553	HBMMILOZGDOABI-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
C[C@H]1CCCCC1=NNC(=O)c1ccc(Br)cc1	254683455	UDRNKRJURYVQIM-JTQLQIEISA-N	309.207	3.745	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cnc3c(C)cccn23)ccc1[N+](=O)[O-]	255882302	ZIOBUMZJKPUKIN-DHDCSXOGSA-N	318.336	3.924	50	20	DHGD	
COCCn1c(SC/C=C/C#N)nc2cc(Cl)ccc21	268589412	HELLRUYRXVTAEI-NSCUHMNNSA-N	307.806	3.508	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)C1CCSCC1	269597832	HDAVZDYTANJGNE-UHFFFAOYSA-N	305.230	3.580	50	20	DHGD	
CC(C)(C)c1ccc2cc(C(=O)N3CC=C(C#N)CC3)[nH]c2c1	272697934	SLUNISVGXYCHCH-UHFFFAOYSA-N	307.397	3.761	50	20	DHGD	
N#C/C(=C\c1ccc(Oc2ccccc2)o1)C(=O)[C@@H]1CCCOC1	281279879	XKGCDAUICOXJHU-XDPMZMSMSA-N	323.348	3.975	50	20	DHGD	
CN(N=Cc1cccc(-c2cccnc2)c1)C(=O)OC(C)(C)C	493605970	PVAYALJEIMGLKC-UHFFFAOYSA-N	311.385	3.949	50	20	DHGD	
C[C@@H]1CCC[C@H](N2CCC(=NNC(=O)OC(C)(C)C)CC2)C1	733743190	IVPHKVOOYNNXGT-HIFRSBDPSA-N	309.454	3.542	50	20	DHGD	
CC(C)C(=NNC(=O)COc1ccccc1F)C1CCCCC1	733907376	NXPGQPIQSHMURX-UHFFFAOYSA-N	320.408	3.913	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)NC(=O)NNc1ccccc1	734269415	JXZFFPMUSHZFIN-LBPRGKRZSA-N	303.793	3.597	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccc(F)cc1)Cc1ccccc1	735384926	UZKSYPDEQZLCSK-UHFFFAOYSA-N	315.392	3.721	50	20	DHGD	
CCC(=NNC(=O)CC(F)(F)F)c1cc(Cl)ccc1OC	736429575	BCXRVQUIEGXXPP-UHFFFAOYSA-N	322.714	3.531	50	20	DHGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=CC1CCCC1	741839243	CYWLMNIFBACDGN-UHFFFAOYSA-N	313.323	3.681	50	20	DHGD	
C=C(C)CCOC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	744303445	BFUFJTMIOTZHMY-BOPFTXTBSA-N	300.402	3.931	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746893706	FFEYNKHUVSGQOW-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccc(N)cc2)C[C@@H](c2ccccc2)C1	749853038	BGFIOFGHCYZZSB-PBHICJAKSA-N	321.424	3.958	50	20	DHGD	
Cc1cccc(CN(C)/C(=C\C#N)c2cccc([N+](=O)[O-])c2)c1	750037822	CIVQIDDTVCAULQ-NVMNQCDNSA-N	307.353	3.900	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cc(Cl)ccc2Cl)cc1	752810797	NKCCTYSNMMVHRH-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1ccc(CC(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)cn1	757421212	GOYDXVFMOXDUEB-UHFFFAOYSA-N	322.320	3.600	50	20	DHGD	
CCn1ncc(C(=O)NNc2ccc(C)cc2)c1-c1ccccc1	757667290	ZCMSZGXYVAAIQB-UHFFFAOYSA-N	320.396	3.635	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)s1	758414895	DXEWXEPPRLECHZ-PUWKQBKRSA-N	317.458	3.868	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)c1ccccc1C)C1CCC(C)CC1	763722718	HFEUHBXJQKMUGU-BCLQGDPASA-N	316.445	3.609	50	20	DHGD	
CC1(C)CCC(C=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	764642637	ZOPKSQNKJRFSGS-UHFFFAOYSA-N	303.362	3.527	50	20	DHGD	
CCc1noc(C)c1C(C)=NNC(=O)[C@H](CC)c1ccccc1	769793212	OWJASFPGTCQAOW-OAHLLOKOSA-N	313.401	3.579	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H](C)c1c(F)cccc1F	771299564	HSNMGTSKNRHICI-SNVBAGLBSA-N	323.318	3.800	50	20	DHGD	
CCS[C@H](C(=O)NNc1nc2ccccc2cc1C)C(C)C	777477704	VXEIHUZBSBCXGA-HNNXBMFYSA-N	317.458	3.764	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(OC)nc2)c1C	780147278	KXXYQJLAXAVIGR-YBEGLDIGSA-N	323.396	3.708	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(Br)cc1F	780991958	JWMKQJFWTBBBOH-CMDGGOBGSA-N	315.186	3.778	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1OC(F)F	781555549	KSORGTSVBWXKNA-MDWZMJQESA-N	321.323	3.963	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@@H](C)C[C@H]1C	783861773	HUVWWGVLKOCCLG-CHWSQXEVSA-N	320.458	3.716	50	20	DHGD	
N#Cc1c(F)cccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791729130	RLBKORWFYKEJIX-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
O=C(NC[C@@H]1CCC(F)(F)C1)NNc1c(F)cccc1Cl	797555551	FSSBBJKSMJMSNP-MRVPVSSYSA-N	321.730	3.541	50	20	DHGD	
CCc1ccc(C(C)(C)NC(=O)NCCSSC)cc1	807233913	QPKTWNPLTOKKNC-UHFFFAOYSA-N	312.504	3.795	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ncsc1C(C)C	808914050	WOLKBMSKYYXIAG-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
CC[C@H](NCc1ccc(OCCCCl)cc1)[C@@H]1CCCO1	811485504	NYGXVHDDNYMXIR-IRXDYDNUSA-N	311.853	3.742	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)Nc2cc(F)cc(F)c2)CC1	834983946	YPCAFFVAXHVIFC-UHFFFAOYSA-N	306.316	3.546	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCC[C@H]1CCOC1	838714550	KDRWVBKPHSLRLB-HNNXBMFYSA-N	319.449	3.561	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)[C@@H]1C[C@H]2C=C[C@H]1CC2	842526448	XCGRMOKIMRVFNJ-MPGHIAIKSA-N	319.408	3.943	50	20	DHGD	
COC(=O)c1oc(/C=C(\C#N)c2nc(C)c(C)s2)cc1C	853004837	DDUGAOFEXORKLF-IZZDOVSWSA-N	302.355	3.512	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(Cl)nc1N	854578107	FVQCRZHSYOHSNQ-UHFFFAOYSA-N	318.808	3.506	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C12CCC(CC1)C2	856235283	VGWIAELAYQDSTF-UHFFFAOYSA-N	321.833	3.973	50	20	DHGD	
COc1ccsc1[C@H](C)NC[C@@]1(C)C[C@@H]1Br	857082061	KZFOIWRQPVNWST-PTOFAABTSA-N	304.253	3.581	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(OC)c(O)cc1Cl	865225115	YVXLUUMFMDEUIY-IZZDOVSWSA-N	307.777	3.966	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccccc1SC(F)F	878013490	JNJQJVYLYIGMEV-UHFFFAOYSA-N	315.172	3.927	50	20	DHGD	
Cc1ncc(C(=O)NNc2cc(Cl)ccc2C)c(C(C)C)n1	885125323	PNHQVOLXTIJFLW-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1C	915984955	OVBSEMGHLNUUHO-XNTDXEJSSA-N	320.348	3.547	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)COc1ccc(F)cc1	916331345	LGAWXUTZDFIQNG-MGPFTAQKSA-N	318.392	3.999	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccs2)cc1F)c1ccc[nH]1	917540874	GRUVTNUSAGZGQC-UHFFFAOYSA-N	313.357	3.646	50	20	DHGD	
COCCC1(CNC(=O)c2cccc(CCl)c2)CCCC1	1262613495	HZIXJGZPLNMTEH-UHFFFAOYSA-N	309.837	3.752	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cccc(C(=O)O)c1F	1593904299	APWURNBMAFGFLL-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1cccc(OCc2ccccc2)c1	40868945	VFTFNMOKHUOLDT-WQRHYEAKSA-N	320.392	3.697	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccnc1Cl)c1ccccc1	85684139	RTIRCDWSPZJWTI-ZDUSSCGKSA-N	303.793	3.762	50	20	DHGD	
C[C@H](c1ccccc1Cl)N(C)S(=O)(=O)CCCCCl	88949564	QGAZXYABIWLVSP-LLVKDONJSA-N	324.273	3.682	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1	111557824	RUUHWXWUWSWXAW-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2cc[nH]c2c1	122792084	GYJGUBYERYCNRX-UHFFFAOYSA-N	317.295	3.526	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(OCCOC)c1	125469311	SOXKVZRBSCHAKE-HNDQUVLASA-N	301.386	3.624	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCCC[C@@H]2C(F)(F)F)c1	127683590	SYRZLGJQOHBSDI-MNOVXSKESA-N	318.314	3.946	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1C[C@@H]1c1cccc(Cl)c1	154587126	WSEARYHMJPIKST-CABCVRRESA-N	304.752	3.726	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3c(F)cccc3F)coc2c1	156599185	FAANYIJJEQFQIZ-UHFFFAOYSA-N	316.307	3.705	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C2CCC2)c1C	172692873	JBVZTYYIBIAMHD-SFQUDFHCSA-N	313.445	3.823	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1c(C)cccc1F	184327954	SUQBQMJPKURWTA-NEPJUHHUSA-N	304.390	3.751	50	20	DHGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C\c1ccc(O)cc1	188189225	KFPAWRUOUXSNDF-WJDWOHSUSA-N	300.402	3.584	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccc(O)c(F)c1)c1ccccc1	188582422	IFFZNBYHOXALGT-XBNGYDHASA-N	324.355	3.706	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(OC)c1	213359710	DLGKSRDCBLSOJR-NVNXTCNLSA-N	322.364	3.558	50	20	DHGD	
O=C(NNc1ccncc1)[C@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2	248414780	NETNPEDPKKONNO-ABSDTBQOSA-N	321.424	3.574	50	20	DHGD	
CSSCCNC(=O)Nc1c(C)noc1-c1ccccc1	284614035	COFGSVBEHPOLFK-UHFFFAOYSA-N	323.443	3.783	50	20	DHGD	
CCC(C)(C)c1ccc(NC(=O)/C(C#N)=C\c2cnn(C)c2)cc1	491102074	GTGVXYAWFPLMAN-GDNBJRDFSA-N	322.412	3.653	50	20	DHGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C/c1ccc(O)cc1	491135800	UWWNZSNSAQLBKZ-LDADJPATSA-N	320.392	3.656	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1ccc(Cl)cc1Cl	492542984	WCIXMXUFGSTZIG-DJWKRKHSSA-N	322.195	3.853	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1cccc(C#N)c1)c1ccccc1	731931313	FCVNWAOZSFTSQO-GOSISDBHSA-N	305.381	3.592	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc([N+](=O)[O-])c3)[nH]c12	735617241	WQIAPPKGNXRBLU-MDWZMJQESA-N	304.309	3.844	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1)c1cccc(Cl)c1	747746511	JCVRNZKJHNUQQB-SVXNPNGKSA-N	302.736	3.908	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccccc2Cl)c(Cl)c1	748317055	CJCASCGMRRZYMY-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2cccc3c2CCCC3)c1	748588935	UCIRIDGXZAFBNJ-HNNXBMFYSA-N	324.424	3.784	50	20	DHGD	
C=CCCC(C)=NNC(=O)c1ccc(F)cc1Br	758114040	USFIIZBRSKAKNQ-UHFFFAOYSA-N	313.170	3.660	50	20	DHGD	
C[C@@H]1CC[C@H](COC(=O)CCCC[C@H]2CCSS2)O1	762175246	RJQSAARGOGTAQW-UPJWGTAASA-N	304.477	3.811	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCCCC3)n[nH]2)c1	764789347	GVGCSWRLWGAMLO-UHFFFAOYSA-N	310.401	3.743	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@@H]1C	767356557	UOIKEKMJKWPGNO-STQMWFEESA-N	311.385	3.884	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1c(C)nc2ccccn12	769567108	MPUNGZBTNKXKBD-TZMCWYRMSA-N	312.417	3.575	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)c2cccc(F)c2)c2ccccc21	772172031	NJVUEXNPCIZHDH-SDNWHVSQSA-N	319.339	3.985	50	20	DHGD	
CC(C)(C)c1cccc(OS(=O)(=O)CCCCCl)c1	773326158	LYXIEHBVJGMTIR-UHFFFAOYSA-N	304.839	3.712	50	20	DHGD	
CCCc1cccc(/C=C(\C#N)C(=O)NCc2ccccc2)c1	773910449	XDOGLMNWRZYQPF-CPNJWEJPSA-N	304.393	3.862	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc(F)cc2F)cc1	780809628	WWHRXZOXZQBEGP-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C2(Cc3ccc(F)cc3)CC2)c1	783679743	QIEWSIXHTGTNNN-UHFFFAOYSA-N	312.388	3.909	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)c1	786055692	HKUMQKHUGWUOBO-VCHYOVAHSA-N	320.392	3.541	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12	790157590	HJHCYNHAVGSLTA-UHFFFAOYSA-N	312.200	3.971	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc3n[nH]cc3c2)cc1	793799179	IWEUONMMAIPWLK-UHFFFAOYSA-N	322.412	3.546	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNC(=S)Nc1cccc(C)c1C	794916284	NCYJAYPEGNSJFA-KRWDZBQOSA-N	321.490	3.837	50	20	DHGD	
CCn1cc([C@@H](C)NCc2ccc(OCCCCl)cc2)cn1	825129841	GLFGQMFOYNYRER-CQSZACIVSA-N	321.852	3.762	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@H]1c1ccccc1	830609334	DBBAWTYAUWHAJN-JKSUJKDBSA-N	324.428	3.627	50	20	DHGD	
COC1CCC(C(=O)NNc2cccc(Cl)c2Cl)CC1	838349864	QLFGBRZPUJLLGK-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
Cc1nc(C)c(CNC(=O)NNc2ccc(C(C)C)cc2)s1	838491308	IFPYXTZNOYIQMX-UHFFFAOYSA-N	318.446	3.710	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H]1CCC[C@@H]2C[C@H]12	838776026	IUVUMIPYEMZBFV-SCVCMEIPSA-N	313.323	3.520	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(C)CCC[C@@H]1C	840544497	AIWPDLWWGLJKLT-ZUZCIYMTSA-N	310.829	3.523	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC(F)(F)CC2)c2ccccc2n1	842522439	PMSJCFMEMMRZLP-UHFFFAOYSA-N	317.339	3.838	50	20	DHGD	
Cc1cc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)no1	844347783	NRMKPHBYVXOMCG-OAHLLOKOSA-N	310.514	3.969	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)c(F)c1F)C1CCCCC1	853003086	CRPWDICOAQOCEU-XFXZXTDPSA-N	322.330	3.802	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NC[C@]2(C)C[C@@H]2Br)c1	856810635	RCOIXJQIEXKDAZ-JSGCOSHPSA-N	311.223	3.598	50	20	DHGD	
BrC[C@@H](CN1CCC[C@H]1c1cccnc1)C1CC1	859210653	MJDNAIHQYCQTKJ-GJZGRUSLSA-N	309.251	3.640	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNCC(F)(F)C(F)(F)F	863101197	MOSLUGJXWOABCQ-LLVKDONJSA-N	318.330	3.801	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)CCCC#N)C1	891549745	OBCSTCWMKBDHNZ-AWEZNQCLSA-N	310.514	3.693	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(C)cc1C	915976778	ZDLBNXGOZQREBC-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
COc1ccccc1/C=C(/C#N)c1nc(-c2ccccc2)no1	916132301	XYIYNEYPBKZHOE-PTNGSMBKSA-N	303.321	3.809	50	20	DHGD	
CC(CCc1cccc(F)c1)=NNC(=O)c1ccc(C)cc1O	920374780	LATQUQNBEQIWIM-UHFFFAOYSA-N	314.360	3.578	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)cc1	1115814172	DUORWXYEERGSMA-DZGCQCFKSA-N	300.402	3.771	50	20	DHGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)CCc2ccccc21	1348757663	IQAPIZZJSZHJHP-JEYLPNPQSA-N	305.849	3.972	50	20	DHGD	
N#C/C(=C\c1sc(Sc2ccccc2)nc1Cl)C(=O)O	1601046581	WTNZJJAQKZEBRS-SOFGYWHQSA-N	322.798	3.939	50	20	DHGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)NCc1ccccc1	24869843	OOCKSVNIBWGHDM-LFIBNONCSA-N	302.333	3.656	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1OC	44028141	BSSYJLUNHHFDLL-ZSOIEALJSA-N	313.378	3.945	50	20	DHGD	
O=C(NNc1ccc(F)cc1Br)Nc1ccccc1	45683562	OURWMDOIXUAHCC-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(C(F)(F)F)cn1)C(C)C	132023841	RUZRFIDOWMVVOK-NSHDSACASA-N	303.328	3.616	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccncc1Cl)c1ccccc1	154673785	ZDFXODSOCNHEKS-ZDUSSCGKSA-N	303.793	3.762	50	20	DHGD	
CC(C)COc1ccccc1NC(=O)NNc1ccc(C#N)cc1	157289655	IPLBELNYWSAFMB-UHFFFAOYSA-N	324.384	3.742	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCc1cccc(Oc2ccccc2)c1	158967286	BRIHXQCMUNINFH-PEZBUJJGSA-N	322.364	3.539	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	171536483	HUXGFTOPMGZAKE-BVTUPMQUSA-N	319.320	3.950	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(c2cccc(F)c2)CC1	175440241	ORDZSABPTUWFRZ-UHFFFAOYSA-N	322.742	3.793	50	20	DHGD	
Cc1ccccc1NNC(=O)c1csc(-c2cccs2)n1	194764893	HHTNPVSFVXHOJD-UHFFFAOYSA-N	315.423	3.937	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)ccc1OC(F)F	264824358	GFCBJHBCYXPJCU-QVIVLVACSA-N	309.312	3.819	50	20	DHGD	
CCCN(N=Cc1ncc(Cl)s1)C(=O)OC(C)(C)C	495796552	WLQIQODSDQDBLQ-UHFFFAOYSA-N	303.815	3.778	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCC2)c(C)n1CCC(C)C	730555067	QPUDOTXQZIAKOO-GZTJUZNOSA-N	313.445	3.727	50	20	DHGD	
CC(C)(C(=O)NN=C1CCCc2cc(O)ccc21)c1ccccc1	731150457	HRIJOFAGGAZTPO-UHFFFAOYSA-N	322.408	3.527	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2ncccc2Cl)cc1	734246877	ZBMVZLHVHFKXIN-UHFFFAOYSA-N	317.820	3.763	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)OC(C)(C)C	734417425	DAJIOGWTXIGFKZ-AWEZNQCLSA-N	312.454	3.785	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(N2CCCCC2)s1	749450452	VDOBNINXHJFMQU-UHFFFAOYSA-N	319.474	3.769	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OC)c(O[C@@H](C)CC)c1	749451903	LKBBQVHBRKXCGJ-LERPTODRSA-N	315.369	3.509	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)CC[C@@H](C)c2ccccc2)cc1	749605170	MZTHYMOJKNSITB-OAHLLOKOSA-N	324.424	3.594	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	755382571	WXQPIZWYUDYKPO-BFHYXJOUSA-N	317.389	3.644	50	20	DHGD	
CC(C)(C(=O)NN=C[C@H]1C[C@@H]1c1ccccc1)c1ccccc1	755706035	YUOZHAKLHYJMNB-SJLPKXTDSA-N	306.409	3.870	50	20	DHGD	
CC[C@H](C(=O)OC[C@H](C)CBr)c1ccc(F)cc1	770420195	XOMOOEWVFJJRQO-MFKMUULPSA-N	317.198	3.894	50	20	DHGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)ccc1C	773142848	GUHMROPQVYBOJO-NVNXTCNLSA-N	324.336	3.985	50	20	DHGD	
Cc1c(C(=O)NCCCSC#N)sc2cccc(F)c12	773572645	WCTLHYJWDDSKPD-UHFFFAOYSA-N	308.403	3.683	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccnn1CCC(C)C	779470788	IMOKHSSQDUIDNF-UHFFFAOYSA-N	319.384	3.525	50	20	DHGD	
CC(C)C[C@H]1CCCCCN1S(=O)(=O)CCCCCl	780800480	STMWHIZJKLIVED-CQSZACIVSA-N	309.903	3.626	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CCC=CO1	781082465	RAXRUXWMNVWHNY-CHWSQXEVSA-N	301.477	3.509	50	20	DHGD	
Cc1cc(Cl)c(C(=O)NNc2c(F)cccc2F)cc1C	781349085	UWGZRZRCJBFHNM-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)cc1)[C@@H]1CCC(C)(C)C1	794275110	MUXNZIQCKPHDNB-HFQYIWAZSA-N	300.377	3.770	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NNc1ncccn1	795044917	AEAXFQRPFYVINQ-TXKKKEFDSA-N	316.449	3.552	50	20	DHGD	
Cc1cc(OC(=O)c2ccc(C(C)(C)C#N)cc2)ccc1[N+](=O)[O-]	796532314	CVIOHKWYSPRHFY-UHFFFAOYSA-N	324.336	3.924	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1C(=O)OC	800791949	YFTIDLHXQZYRON-NTEUORMPSA-N	323.348	3.727	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CCCOC(C)(C)C	803040263	BQLQQZDRUYCUBG-UHFFFAOYSA-N	315.417	3.582	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1CCC(=O)[C@H]1C	812765901	ZBKXSYXIQHXSAI-KBPBESRZSA-N	302.418	3.567	50	20	DHGD	
CCOC1(C(=O)NNc2c(C)cccc2C(C)C)CCCC1	812769375	DGFUXHZZPRXHJF-UHFFFAOYSA-N	304.434	3.911	50	20	DHGD	
CO[C@@](C)(C=NNC(=O)c1ccc(C(C)(C)C)cc1)C1CC1	814741685	KONNFSOZQGVTSV-SFHVURJKSA-N	302.418	3.515	50	20	DHGD	
C=C[C@H](CC(=O)NNc1cccc(Cl)n1)c1ccccc1	817006261	CKNFIVFYIWHMRI-GFCCVEGCSA-N	301.777	3.538	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	822556956	SVWBFPJNGMQREI-XPTSAGLGSA-N	311.769	3.518	50	20	DHGD	
CCCN(N=C[C@H](Cc1ccccc1)OC)C(=O)OC(C)(C)C	834978070	VLYUUNXOGRKPAQ-INIZCTEOSA-N	320.433	3.877	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)c2ccncc2)c(Cl)c1	836937576	HVVPQCOOPQCANH-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	840537158	APAQEXQDYQTZHD-OMCKNOPTSA-N	312.413	3.630	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccnn2CC(C)C)c1C	843263614	KEQUFKBPYSGXBV-YBEGLDIGSA-N	322.412	3.702	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C[C@H](C#N)CCC#N)C1	844335045	IQNPAOSSEWQHCJ-JKSUJKDBSA-N	321.541	3.916	50	20	DHGD	
Cc1cc(OC(=O)CC2(C#N)CCCCC2)ccc1[N+](=O)[O-]	850766427	JEXIWPZVWGYEGQ-UHFFFAOYSA-N	302.330	3.673	50	20	DHGD	
COc1cccc(C(C)(C)C(=O)NNc2ccc(F)cc2C)c1	866874706	UKLNXVJYZKGCIF-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@]2(C)C[C@@H]2Br)C1	906227435	SFRUBFBTPKCSOJ-UOVKNHIHSA-N	314.267	3.587	50	20	DHGD	
Cc1cc(OC(=O)c2cc(-c3ccccc3)[nH]n2)ccc1[N+](=O)[O-]	917028149	MLQQAICZADYELJ-UHFFFAOYSA-N	323.308	3.513	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C2\COc3ccc(F)cc32)c1C	918154311	JSDUHPMNIKNUHH-FOCLMDBBSA-N	322.339	3.751	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc(C(F)(F)F)n2)c(C)c1	1324476385	SBQGRBBVJJXHMQ-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CC(C)[C@H](CNC(=O)c1cccc(CCl)c1)c1cccnc1	1337183925	SUSVMXGTBXWOCC-KRWDZBQOSA-N	316.832	3.990	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)ccc2OC)c1	78992457	XQKMGLMTGWYTFX-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1cccnc1Cl	85682274	YESPHPALBWZGDC-CYBMUJFWSA-N	321.833	3.749	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)CC#N)c1C	113694890	WECLYENSCHCADO-RQNDZEIBSA-N	313.401	3.657	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(F)cc2)cccc1-c1ccccn1	121757268	CNPSMHUXJSZFLX-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccc(OC(F)(F)F)cc2)c1	134272975	GXNZYXFGZLJUAM-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
COc1ccc(C)cc1[C@H](C)NC[C@@H](C)CBr	152765765	MWPFCLDGBFICQV-RYUDHWBXSA-N	300.240	3.685	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(C(F)(F)F)n1)c1ccccc1	155953379	PGLDNEGTHGLCDU-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2scnc2C(C)(C)C)c1	158987014	RHIYXISLOPURNS-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@@H]1c1cccc(C)c1C	159735731	JTWSLLVMXDMRNL-BBLCHGJFSA-N	312.413	3.801	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)c1c[nH]c2ccccc12	176402207	LLBOABAACDZIFK-YRNVUSSQSA-N	303.346	3.891	50	20	DHGD	
O=C(NCc1ccoc1)NNc1c(Cl)cc(F)cc1Cl	179330753	PHDJVACKTXLAJX-UHFFFAOYSA-N	318.135	3.552	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc3ccccc3n2)CC1	181103110	BYDDIOPTTYWDKY-UHFFFAOYSA-N	317.392	3.718	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc2ccccc2n1)c1ccccc1	181144046	KBHBDAXQZXNJGP-BUHFOSPRSA-N	303.365	3.781	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccn1)c1cccc(C(F)(F)F)c1	181247480	KUMMDJBLEIQUAG-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
Cc1cccn2c(/C=C(\C#N)c3cnc4ccccc4n3)cnc12	191357657	DFDGBYMJSNKXQW-NTEUORMPSA-N	311.348	3.650	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(Cl)ccc23)cn1	194524665	NADGDBYKZPQFSW-LFYBBSHMSA-N	322.755	3.908	50	20	DHGD	
C[C@@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccc(C#N)cc1	196698429	RONYJTUWKCCHRJ-ZWNOBZJWSA-N	323.234	3.545	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccoc2C)cc1OC	211207719	OYDOKZNRHOABQT-GDNBJRDFSA-N	323.348	3.951	50	20	DHGD	
C[C@@H](CBr)CN1CCSC[C@H]1c1ccccc1	248704206	LOKWOCGLOBQEBY-JSGCOSHPSA-N	314.292	3.808	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(OC)c1OC(F)F	263674146	MZGWLSKBQDZQFL-MJWAUXSNSA-N	309.312	3.819	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(n2ccnc2)CC1	375741795	KFATYTJCOUUBKP-UHFFFAOYSA-N	309.530	3.542	50	20	DHGD	
CCCN(N=C1CC[C@@H](C(=O)O)[C@@H](C)C1)C(=O)OC(C)(C)C	496837986	MLZPAYYGCNYVBW-WCQYABFASA-N	312.410	3.510	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)c1ccccc1OC(F)F	588386532	DBSKMGWELZAZQQ-WEVVVXLNSA-N	306.293	3.534	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CC[C@@]2(C1)OCc1ccccc12	588492131	OWSLBRHEEHTPGV-BRTRPOTNSA-N	320.367	3.822	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)Cc1ccc(F)cc1	727672787	PJONMZOMDLWRJD-CQSZACIVSA-N	322.424	3.512	50	20	DHGD	
CC(C)[C@@H](C)C(=O)NNc1ccc(Br)cc1Cl	733806357	ZOPPLKPWKWNYEP-MRVPVSSYSA-N	319.630	3.838	50	20	DHGD	
O=C(COCc1ccccc1)NN=C1CCC[C@@H]1c1ccccc1	737438833	KUOORQZJGJRNAK-GOSISDBHSA-N	322.408	3.643	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1c(C)cc(C)cc1C	743762158	LCENVAWMGVPACK-INIZCTEOSA-N	304.434	3.793	50	20	DHGD	
O=C(CCOc1ccccc1)NN=Cc1ccc2ccccc2c1	747059176	IOJMFMOHGHKQMF-UHFFFAOYSA-N	318.376	3.759	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1ccc(OC)c(OC)c1	748243945	FKSUBZNVNUJESH-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1ccoc1	755879073	IOXRKOYTWXVVKI-UHFFFAOYSA-N	314.385	3.631	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cnc1Cl	760211680	OQVSCOKRTWMXLP-MWMICKBXSA-N	317.820	3.645	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1cccc(Cl)c1	760335614	AMJVBZUFDKOLNT-HNNXBMFYSA-N	310.825	3.911	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)[C@@H]2CCCC[C@H]12	768426478	BNCJPHAFMRLWGI-LPWJVIDDSA-N	316.283	3.833	50	20	DHGD	
CC(C)CC1(C(=O)NNc2nc3ccccc3[nH]2)CCCC1	768502697	AUKWVNIWLHFQHT-UHFFFAOYSA-N	300.406	3.613	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccccc2)c1C1CC1	770086742	GIVHCFLEUBPHRL-GFCCVEGCSA-N	313.405	3.880	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2c(C)cccc2F)c1	771698347	HTWIHHZYXXBISA-UHFFFAOYSA-N	300.377	3.827	50	20	DHGD	
CCCOc1cccc(NC(=O)NNc2c(F)cccc2F)c1	775477341	QTGPIGFFBVRHBC-UHFFFAOYSA-N	321.327	3.902	50	20	DHGD	
CCCCCC(=O)NNc1nc2ccc(OC)cc2cc1C	778476096	BHSGTHPOSZTCQY-UHFFFAOYSA-N	301.390	3.575	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1csc(Cl)c1	788002056	RHVANGKWCDTEKV-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N2CC(C)(C)C2)c(C)n1CC(C)C	790233761	DJLJDCQOAGETQO-CAOOACKPSA-N	313.445	3.536	50	20	DHGD	
Cc1cn2c(/C=C(\C#N)C(=O)c3ccoc3C)c(C)nc2s1	797139496	KOSWYYDAHFSNBW-WUXMJOGZSA-N	311.366	3.704	50	20	DHGD	
CSc1c(F)cccc1C(=O)OC[C@@H](C)CBr	797922395	LVZZGPMSUCUGLT-QMMMGPOBSA-N	321.211	3.735	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cc(F)c(F)cc1F	799759431	PWHWWLCCNKYQAX-UHFFFAOYSA-N	322.330	3.661	50	20	DHGD	
O=C(NNc1ccccc1Br)C1(F)CCCCC1	810680067	CUQOHNNYOHJWOD-UHFFFAOYSA-N	315.186	3.565	50	20	DHGD	
N#C[C@H]1CCCC(=NNC(=O)Cc2cccc3ccccc23)C1	814792475	RILBQQOKYNFKLB-AWEZNQCLSA-N	305.381	3.568	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=CCC2CCCCC2)o1	814822060	FYOUKFDJPHUCMX-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@H]1CCC[C@@H]1c1ccccc1	825855605	XQPLYHOTQKDMBR-KGLIPLIRSA-N	315.804	3.762	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCC[C@H]1c1ccccc1	825915766	ZPLMOBNEUMTPFZ-KBPBESRZSA-N	316.351	3.992	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc2c(c1)OCCCCO2	834409696	YZOBRSOZLHXGFK-XNTDXEJSSA-N	323.348	3.929	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)CCC(C)(C)C)c1F	837061778	RRDJQKCTTLCJEM-NSHDSACASA-N	324.396	3.518	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@H]1c1ccccc1OC	839758356	SEIRVJDSOBPQAS-DLBZAZTESA-N	324.424	3.813	50	20	DHGD	
C[C@H](CN)NC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	841189947	KKZGZORSCFPLSR-SSDOTTSWSA-N	319.299	3.813	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)OCC(F)(F)F)C2)cc1	853430335	FDTJVBOMGBVRSF-UHFFFAOYSA-N	300.280	3.517	50	20	DHGD	
BrC[C@H](CN1CCC[C@H]1c1ccncc1)C1CC1	859210626	LZBCNAWXHFTHMO-CABCVRRESA-N	309.251	3.640	50	20	DHGD	
Cc1cnccc1CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	859352650	SKALPOBDXKLURQ-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(F)c(Cl)c2)CCC1	863080902	RPCSIILROZCVRV-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)C(=O)C(C)(C)CC)c1C	863190371	UAURSMCZRAGGSJ-LCYFTJDESA-N	316.401	3.721	50	20	DHGD	
N#C/C(=C\c1ccc(F)c2ccccc12)C(=O)[C@@H]1CCCOC1	864366457	SFLCHCBBOFVYTH-MFYHJKBNSA-N	309.340	3.882	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(OC)ccc2OC)c1	915863555	FYZTUQNSUGZJFZ-OQLLNIDSSA-N	323.348	3.502	50	20	DHGD	
CCOc1cc(C=NNC(=O)C(C)(C)C)ccc1OCC(C)C	915967001	CVPDBBRQWRRGHP-UHFFFAOYSA-N	320.433	3.616	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCC(C)C)c(C)n1CC(C)C	916607580	SMPUOBILYUSLBC-IUXPMGMMSA-N	302.418	3.867	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)Cc1ccc(Cl)cc1	917028981	ZNHYLZGYTQPNIS-UHFFFAOYSA-N	304.777	3.600	50	20	DHGD	
CC(C)c1csc(CNC(=O)c2cccc(CCl)c2)n1	1120709569	SZAIICZBQFCTPP-UHFFFAOYSA-N	308.834	3.935	50	20	DHGD	
Cn1cc(Cl)c(/C=C(/C#N)c2ncc(C(C)(C)C)s2)n1	1120851890	MDLIALNYASAJRR-UITAMQMPSA-N	306.822	3.892	50	20	DHGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1n[nH]c2c1CCCC2	1318190772	FVGAVIDMUUSJTQ-ZDUSSCGKSA-N	316.449	3.611	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1	1322835898	OCNZETDJSSSTKX-LSCVHKIXSA-N	305.337	3.518	50	20	DHGD	
O=C(N[C@@H](c1ccccc1)C(F)F)C1CCC(Cl)CC1	1521633098	PUKDBQDHWLUJHL-BPCQOVAHSA-N	301.764	3.907	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC=C(c2ccccc2F)C1	1548682467	IICWWVFWZRRCRE-UHFFFAOYSA-N	307.796	3.849	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])cc2)c(C)c1	1083752	OYSBSXXAWJAIHD-XNTDXEJSSA-N	321.336	3.757	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)cc(OC)c1	7211194	GUSYGWHEPHVQDD-OVCLIPMQSA-N	307.349	3.802	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1O	16441518	BZBAUKDTJGGMGK-MDWZMJQESA-N	318.332	3.672	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)Nc1ccccc1	20258383	KILOGCJDVGHXJX-UKTHLTGXSA-N	312.756	3.894	50	20	DHGD	
CC[C@@H](C)n1ncc(C(=O)NNc2ccc(F)cc2)c1C1CC1	89660336	JTVDEFQCSWBGIY-LLVKDONJSA-N	316.380	3.628	50	20	DHGD	
N#C/C(=C/C1=Cc2ccccc2OC1)C(=O)Nc1ccc(F)cc1	103032904	NWXJPJJFIOKEPA-GDNBJRDFSA-N	320.323	3.690	50	20	DHGD	
COC[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	112940754	OAVXFEUMNNQVRJ-ZIAGYGMSSA-N	317.520	3.586	50	20	DHGD	
Cc1cc(NNC(=O)c2cccc(F)c2)ccc1Br	114888623	GUZQCXOGYMLXLJ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1[C@H]2CCC[C@H]12	126128678	OHMLWIABYLWMTF-YUMQZZPRSA-N	303.164	3.622	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](OC(C)(C)C)c2ccccc2)cc1	151357214	BVEBIARCFADUTH-QGZVFWFLSA-N	312.413	3.995	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccnc(F)c1)c1ccc(C)cc1	182463858	WUVACAFYKHDQJN-CYBMUJFWSA-N	301.365	3.556	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCc2ccc(Cl)cc21	194470468	DERQQNNYPFVQRK-NTEUORMPSA-N	324.767	3.542	50	20	DHGD	
C[C@H](CNC(=O)[C@H](Br)C(C)(C)C)c1ccccc1	204856798	MUWCKDODOBYSRI-YPMHNXCESA-N	312.251	3.716	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	217011050	VVEIPZKBRJWUAI-FGKMVVGBSA-N	322.449	3.539	50	20	DHGD	
CC(C)C[C@](C)(CN)NC(=O)CCCC[C@H]1CCSS1	236674108	NVVKRWPFMHTHSZ-DZGCQCFKSA-N	318.552	3.580	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)o1	490726734	UMLMNEKIVZYIFI-FLIBITNWSA-N	316.744	3.625	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](c2cccnc2)C1	616612113	MGEUEQDHMKBPHG-INIZCTEOSA-N	306.526	3.893	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(C)ccc2F)cc1	734977994	PKTYYMMTGYRXNF-UHFFFAOYSA-N	316.401	3.685	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2n1)c1cc2c(s1)CCC2	741458514	UTOOSJCUXSWOER-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)c2cccc(F)c2)ccc1[N+](=O)[O-]	741888279	MRTAIJCYHZFTEU-NSHDSACASA-N	303.289	3.751	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1cccc(C(F)(F)F)n1	743485644	NFOHAVUDWLWUBV-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
Cc1cc(OCC(=O)NNc2cccc(F)c2)cc(C)c1Cl	748089062	AFUHCQSBVICIAK-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748730698	RPYCKHZPRVWIHT-VHSXEESVSA-N	311.769	3.518	50	20	DHGD	
Cc1csc(NC(=O)NNc2cc(Cl)ccc2Cl)n1	751992105	MYHAQSAAQVUZKE-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
N#Cc1csc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752811344	LNKWWUSQFVPATD-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1F)c1c[nH]c2ccccc12	753692865	MWCWIVOGSQXXFM-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)c1	753922358	SMRKSBFRPYAKME-UHFFFAOYSA-N	323.783	3.875	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cc(C)sc2C)c(C)c1	760236250	VLYZNKARECXTIB-UHFFFAOYSA-N	315.442	3.544	50	20	DHGD	
C[C@H](C(=O)NNc1c(Cl)cccc1Cl)C(F)(F)F	763617824	SPVPGZPAWLCKQP-RXMQYKEDSA-N	301.095	3.635	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cc(F)cc(F)c2)ccc1[N+](=O)[O-]	774560794	OJCNPENMYZOIKP-QCDXTXTGSA-N	316.263	3.946	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)C(C)(C)c1ccccc1	775728431	UISUPKJWXFKQOM-HNNXBMFYSA-N	318.461	3.718	50	20	DHGD	
Cc1ncsc1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	776193628	SQELWPKZVWWIMV-POHAHGRESA-N	320.320	3.843	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(Cl)c1OCC	780006342	ZMDCZIAZJFPJKG-KAMYIIQDSA-N	320.820	3.952	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1	783855754	MXCBYJXAZUWYEZ-UHFFFAOYSA-N	314.364	3.512	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCC[C@H](C(C)C)C2)c1	794471770	UUEVGCOOLPSJKZ-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC1CC1	797398424	NBWGORISLMZYFP-VGOFMYFVSA-N	319.788	3.987	50	20	DHGD	
CC[C@H](C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802088399	NPOIVOMJTZFJAS-QMMMGPOBSA-N	318.204	3.582	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccc(Oc2ccccc2)cc1	804771804	OPYUYUYRSLOUJP-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
Cc1noc([C@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)n1	808758403	ABKJJVIZJONEHQ-CYBMUJFWSA-N	311.502	3.537	50	20	DHGD	
CC[C@@H]1CO[C@@H](C)CN1Cc1ccc(OCCCCl)cc1	811453393	LMUCXWTYBQLVSI-GOEBONIOSA-N	311.853	3.694	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1ccc(C2CCCC2)cc1	812240776	ROPXXQPSMSHHDM-DZBQEORWSA-N	313.397	3.829	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1cccc(Cl)c1	814732543	QKAZIABFBYOPAQ-CYBMUJFWSA-N	303.793	3.776	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)[C@@H](C)CCCCC(=O)O)cc1	814744932	CWWLDXFTSFEHEQ-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CC(Cc1ccc(F)cc1)=NNC(=O)c1cccc2cccnc12	814824094	IZYBPOZDMYYZJJ-UHFFFAOYSA-N	321.355	3.722	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1ncsc1C(C)C	823433770	AFDKHJRFZMZVHO-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1[N+](=O)[O-])C1=CCCCCC1	833774657	ZZSGCURRAKKOGB-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)[C@@H]2CCCOC2)cc2ccccc12	834438097	GVNNMYJCFGHWOG-FNTDYBJHSA-N	321.376	3.751	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cccc(OC(F)(F)F)c1	834448225	XYCICZJGBLJYED-POHAHGRESA-N	301.239	3.809	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	836782676	CPHBDAQLQWGTEP-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cccc(C(C)C)n1	836934410	XEDPACLHRIELGI-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
C[C@H](C(=O)NCC(Cl)Cl)c1ccccc1C(F)(F)F	837647650	ANNPJNUEGUPTCJ-ZETCQYMHSA-N	314.134	3.729	50	20	DHGD	
Cc1ccc(NNC(=O)NCC(C)(C)CCC#N)c(Cl)c1	838591637	HWRPSVZQVCRSNX-UHFFFAOYSA-N	308.813	3.605	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Cl)nc(C3CC3)c2)c1	848370463	BUSOHWCMGHMCFE-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)OCC(F)(F)F)c1ccccc1	853430055	WMJDFMWCEDBVJK-LBPRGKRZSA-N	302.296	3.701	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1cccc(F)n1	853442437	QYEHQDJACWPOJP-UHFFFAOYSA-N	313.376	3.595	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccnc(Cl)c1)c1ccccc1	855468464	YLLTWGUDUMYCKG-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)c1ccc(C2CCC2)cc1	856091002	CGMSGYGSIJMSIL-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2cc(C)ccc2C)cc1	857831016	PVXCVZCYOWYOHL-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
CCn1nc(C2CC2)cc1C(=O)NNc1ccc(C(C)C)cc1	909359998	UBPDHRQVXVPJDV-UHFFFAOYSA-N	312.417	3.661	50	20	DHGD	
CCOC(=O)NN=C(C)c1ccc(OCc2ccccc2)cc1	916268040	GGHGYLKBHNTOCD-UHFFFAOYSA-N	312.369	3.736	50	20	DHGD	
O=C(NN=Cc1c(F)cccc1F)c1ccc2ccccc2c1	917547109	LANKLHPJIHPYKP-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(F)cc(OC)c1	1321668177	CLBXJKKRAVSCEE-UHFFFAOYSA-N	317.364	3.854	50	20	DHGD	
O=C(C[C@H]1CNc2ccccc21)NNc1ccc(Cl)c(F)c1	1580516484	AGOWVZBRNONOMH-JTQLQIEISA-N	319.767	3.522	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1cccc(C(=O)O)c1C	1605261722	IJJSWNPHMROYJK-GFCCVEGCSA-N	306.406	3.743	50	20	DHGD	
Cc1cccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)c1	7001246	UNYLZCTUKQZNPE-RIYZIHGNSA-N	321.405	3.974	50	20	DHGD	
CC(C)n1cnnc1[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	93202085	DXNHNQLXLZYZSO-HJSBDDGSSA-N	321.428	3.603	50	20	DHGD	
COc1cc(OC)c(OC)cc1/C=C(/C#N)C(=O)c1ccccc1	97990477	YCISHRCFSOAERE-DHDCSXOGSA-N	323.348	3.502	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(N)=C(C#N)C#N)o1	114991022	NAFLNTCRHQYOCM-GHXNOFRVSA-N	318.311	3.561	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)c1	127684056	SYRZLGJQOHBSDI-GHMZBOCLSA-N	318.314	3.946	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cccc3c(C)c(C)[nH]c23)c1	150851213	LKGIFWNGPHATSX-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
CC(=O)c1ccccc1C(=O)NNc1ccc(Cl)cc1Cl	151917295	CUSULBRMYPSPBQ-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3cccc(F)c3)csc2C1	154139416	FXWWXGRICVNRST-SNVBAGLBSA-N	304.390	3.769	50	20	DHGD	
C[C@@H]1Cc2cc(-c3ccc(CNC=C(C#N)C#N)cc3)ccc2O1	154807606	VOGWXDQEHOOVBP-CQSZACIVSA-N	315.376	3.698	50	20	DHGD	
ClC[C@H](OCc1ccccc1)[C@@H](Br)CCl	158132943	LDLUQWSHLINSBI-QWRGUYRKSA-N	312.034	3.813	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1sccc1-n1cccc1	193210129	QMGOQALURITIAD-UHFFFAOYSA-N	317.801	3.949	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1cc(F)cc(C(F)(F)F)c1	255230013	LZUSSNMMJLXIFA-JYOAFUTRSA-N	314.282	3.524	50	20	DHGD	
Cc1cccn2c(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)cnc12	255435569	CUHUMZWYAPASRN-ZROIWOOFSA-N	304.309	3.615	50	20	DHGD	
CC[C@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2Cl)CCO1	272629126	AVYGLMLEENBZMN-KOLCDFICSA-N	317.216	3.642	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	491010711	MQUUTCZGMKCVHX-RKPNYOAGSA-N	324.355	3.619	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cncc(Br)c2)n1	588476936	RFRLZJUVZBWFOB-WTDSWWLTSA-N	306.188	3.673	50	20	DHGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)C(C)C	588507189	WLZFUPJDEHGQHC-BOPFTXTBSA-N	306.365	3.889	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Br)ccc1OC	726428872	PURSBCBVDMFGEF-CEXMDJMXSA-N	322.202	3.980	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)s1	731155595	LTAHMTHHWYMSCB-PKNBQFBNSA-N	300.358	3.995	50	20	DHGD	
COc1ccccc1C(=O)NN=C1C[C@H](C)CC[C@@H]1C(C)C	731486753	CGRSNQLDGVKOJA-ZIAGYGMSSA-N	302.418	3.873	50	20	DHGD	
CC[C@@H]1CO[C@H](C)CN1C(=O)CCCC[C@@H]1CCSS1	742713974	BQYXHFGFFAXREO-MGPQQGTHSA-N	317.520	3.726	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2cccc(Cl)c2)C12CCCC2	743426022	FUIAFAIMMVXBKE-OAHLLOKOSA-N	320.820	3.795	50	20	DHGD	
O=C(NN=C1CCCc2ccccc21)c1cc(Cl)ccc1O	744774292	ZZLOPGIPTVXMDX-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)[C@H](C)c1nc2ccccc2s1	748777423	AMWCYJXNLSYPCF-NSHDSACASA-N	324.409	3.601	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCOc2cccc(C)c2C)c1	748786124	YMCLTIRRGQJDJB-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(C(F)(F)F)c1)c1ccccc1	755465516	LMQTXGAXJRPKNW-UHFFFAOYSA-N	310.250	3.608	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccccc2C#N)c(Cl)c1	755743207	LOUWBZGLHJCHEA-UHFFFAOYSA-N	312.760	3.676	50	20	DHGD	
N#C/C(=C/c1ccc(-n2cnc3ccccc32)cc1)c1ccncn1	758908936	ABFDHMVXBJCPQC-WJDWOHSUSA-N	323.359	3.880	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CC12CCC2	767402527	PPARJZHOAWKRPN-MRVPVSSYSA-N	303.164	3.766	50	20	DHGD	
CC(=NNC(=O)c1cccc(Br)c1)c1occc1C	767786629	DGBLYBHVJYMKGB-UHFFFAOYSA-N	321.174	3.505	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(Cl)cc1Br	769793592	SZFJTABQMJHQRD-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
CC(C)Oc1cc(F)ccc1NC(=O)NNc1ccc(F)cc1	779124952	AAMFAISJLQTPMX-UHFFFAOYSA-N	321.327	3.901	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@H]1CC12CCCC2	779218463	ZWSNVRSVZWPFCK-SNVBAGLBSA-N	314.307	3.609	50	20	DHGD	
O=S(=O)(CCCCCl)Oc1ccc(Cl)c(Cl)c1	780667912	VXPROQAMLIDZFJ-UHFFFAOYSA-N	317.621	3.721	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc3cnccc3c2)ncn1	782353330	AOXBBXJWBPMNTA-CHHVJCJISA-N	304.378	3.811	50	20	DHGD	
CC[C@@H](C(=O)NNc1c(C)cccc1C(C)C)N(CC)CC	794955532	VMDCNGPSPCQHAZ-INIZCTEOSA-N	305.466	3.682	50	20	DHGD	
O=C(NN=C1CCC12CCOCC2)c1ccc2ccccc2c1	799876680	XJQFZOAJGOGDKV-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CC(C)CCC(=NNC(=O)c1cc(Cl)ccc1O)C1CC1	802709820	PLTNYCGPJBLVEE-UHFFFAOYSA-N	308.809	3.978	50	20	DHGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NCC(Cl)Cl	808131496	WQVZXNSTLDRCCL-SNVBAGLBSA-N	312.196	3.527	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(SC(F)F)cc1	808247435	ZKVWCZKTBXQHNE-UHFFFAOYSA-N	314.184	3.877	50	20	DHGD	
CC(C)(C)C[C@H](CO)NCc1ccc(OCCCCl)cc1	811484973	RAGRHYYYHMKTEH-OAHLLOKOSA-N	313.869	3.581	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cc3ccccc3o2)c1	812387673	PQVAJCUOKYNHBA-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2c[nH]c3ccccc23)s1	814700258	YQYALRIVRYVORN-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
COc1ccc2c(c1)C(=NNC(=O)C1CCCC1)CCCS2	814801289	FRVULOBGODKMOS-UHFFFAOYSA-N	318.442	3.592	50	20	DHGD	
CCCC(=NNC(=O)C(C)(C)c1ccccc1)c1cccnc1	814841423	BRESIPQMWFDBMJ-UHFFFAOYSA-N	309.413	3.680	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(CSC)cc2)cc1	817911107	JLBKUVWYIHBABF-UHFFFAOYSA-N	316.426	3.705	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1cc(Cl)nc(Cl)c1	819742957	IFXGTZZVONAKSC-MRVPVSSYSA-N	322.261	3.753	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCc1ccoc1	822257470	IZTMCYQVQZBPKM-UHFFFAOYSA-N	301.390	3.580	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1oc(C(C)C)nc1C#N	825505151	CMFZPLKENNKOHC-GFCCVEGCSA-N	306.410	3.575	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(C)C)cc2)cc1C=O	837059716	XZVKFDYXHCCRQA-UHFFFAOYSA-N	310.397	3.996	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C\C2CCCC2)c(C(F)(F)F)c1	843877633	JFPPXALLYJITQI-VURMDHGXSA-N	323.318	3.767	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCCc1cccnc1	850771513	QJQNBMCJVQCNKB-UHFFFAOYSA-N	314.341	3.535	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccc(Cl)cc2)C[C@@H]1Br	856811140	KJPPQDHRBADHLC-JQWIXIFHSA-N	317.614	3.635	50	20	DHGD	
C[C@@H]1CN(C[C@@H](CBr)C2CC2)C[C@@H](C)C1(F)F	859415476	VCPUKYXWAZCNFH-CKYFFXLPSA-N	310.226	3.631	50	20	DHGD	
C=CC(C)(C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	879156973	AVANGVSKVSKAEP-UHFFFAOYSA-N	302.296	3.631	50	20	DHGD	
CCOc1ccc(NC(=O)[C@@]2(C)C[C@@H]2Br)c(C)c1	906341824	PJLJPQZFOCKADY-JSGCOSHPSA-N	312.207	3.506	50	20	DHGD	
CSc1cccc(N(C)C(=O)[C@]2(C)C[C@H]2Br)c1	906504505	IJFVBAOUAYCQHI-DGCLKSJQSA-N	314.248	3.545	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2CCCS2)C1	912579603	CLBZRIQUWVOEMK-STQMWFEESA-N	315.555	3.505	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2ccc(Br)s2)c1	916356488	DHCQJWIEZYTBNH-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2ccc(C(C)C)cc2)cc1	920377342	ANMCOEPRSHLUNG-UHFFFAOYSA-N	324.424	3.902	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(C)cc(C)c2)cc1	921256839	BAJYFIROJYNWPM-UHFFFAOYSA-N	312.438	3.854	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)c1ccccn1	1115813625	BBRBAKKHCKLQGS-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
O=C(N[C@H](C1CC1)[C@@H]1CCCCO1)c1cccc(CCl)c1	1337333768	JNICAABDXMCONN-JKSUJKDBSA-N	307.821	3.503	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1csc2ccc(C(=O)O)cc12	1776296698	YCLTZPRGCXHRKC-YHYXMXQVSA-N	317.341	3.824	50	20	DHGD	
Cc1ccc(N(C)S(=O)(=O)c2ccc(CCl)cc2)cc1	88939719	WUEHIZSGZSBLQT-UHFFFAOYSA-N	309.818	3.559	50	20	DHGD	
CNC(=O)/C(C#N)=C/c1ccc(-c2cccc(C(F)(F)F)c2)o1	102855075	XLVXSDRVBXWIJK-DHZHZOJOSA-N	320.270	3.618	50	20	DHGD	
Cc1cc(Br)ccc1C(=O)NNc1ccccc1	111550477	WKOFKFQKIUIDBJ-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1cccc(Cl)c1	115326921	OVRMUCMLGQABHZ-ZDUSSCGKSA-N	300.789	3.903	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccccc1C#N	120717995	ADYYWICNDSEFRO-LFIBNONCSA-N	317.348	3.503	50	20	DHGD	
O=C(Cc1cccs1)NNc1ccc(Cl)cc1Cl	151961918	BDYSWCIFKACIQN-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2ccc(Cl)cc2)CC1	152860327	GSLSQRHNHSSDSX-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
CC1CCC(O[C@H]2CCC[C@H]2I)CC1	158162942	LGLRXUWONSRIKM-HCWSGVFWSA-N	308.203	3.938	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2ccccc2nc1C	184299194	VXVOXEGVEKYUDN-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2cccc(F)c2)c(C(C)(C)C)n1	194532972	JRMDZZICWXSIHY-MDWZMJQESA-N	311.360	3.647	50	20	DHGD	
O=C(/C=C\c1cccc(F)c1)NNc1ccc(OC(F)F)cc1	255057519	ILZRCLMCRNOYCF-WTKPLQERSA-N	322.286	3.584	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1ccc2c(O)nccc2c1	285742146	PSJPXWVVVSRFFU-UHFFFAOYSA-N	313.401	3.744	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC2(CCCCC2)C1	364287005	CZHDFGILANAMGD-LLVKDONJSA-N	302.256	3.589	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCO[C@H](C3CC3)C2)cc1	367945150	UZBQVNIAEUQXPC-AEFFLSMTSA-N	323.864	3.742	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc(-c3ccccn3)ccc2Cl)CC1	369983443	IYTABOGZXQJQGS-UHFFFAOYSA-N	323.783	3.698	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)C(=O)c3cccc(F)c3)ccc21	588597218	DFUNTYCFIRTJSO-YBEGLDIGSA-N	306.340	3.608	50	20	DHGD	
COC(=O)NN=C(C)c1ccc(OCc2cccc(C)c2)cc1	727649681	CJFHNLNDTUOGRG-UHFFFAOYSA-N	312.369	3.654	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1c[nH]c2cc(F)ccc12	728697866	YFXKJUSQMLYCPP-RJRFIUFISA-N	317.751	3.638	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1	729273868	IQZYVSKWIZVAMQ-JKSUJKDBSA-N	316.788	3.595	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1cccc2ncccc12	730146702	DOQWIRNLEGPXJY-UHFFFAOYSA-N	317.392	3.973	50	20	DHGD	
CCn1c(C)cc(C=NNC(=O)C(C)(C)c2ccccc2)c1C	731152554	LDQSKALTAFJTDH-UHFFFAOYSA-N	311.429	3.553	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC[C@H]2c2ccccc2)cc1	732528055	PVIYNAAHLHEXFK-SFHVURJKSA-N	321.424	3.847	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@H](C)O2	741470172	QPVAOGFEVWZNPH-GKUYHTSYSA-N	313.397	3.931	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc1	741847344	FOVDSOCZZQAPNK-LICLKQGHSA-N	307.349	3.631	50	20	DHGD	
CC(C)(C)c1ccc(CNC(=O)NNc2ccc(F)cc2)cc1	746963759	KOZBJWRFSUMMJP-UHFFFAOYSA-N	315.392	3.950	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@]12CCCc1ccccc12	748551182	AUOFCFSAMSABCQ-XLIONFOSSA-N	324.399	3.871	50	20	DHGD	
CCC(=NNC(=O)CCOc1ccccc1)C1CCCCC1	750936427	DRPFASHCIJUOIU-UHFFFAOYSA-N	302.418	3.918	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1ncnc2ccsc12	752580202	MVVAOTQNMPUGJD-LLVKDONJSA-N	306.435	3.741	50	20	DHGD	
CC/C=C(\C)C(=O)NNc1ccc(Br)cc1CC	753184219	COKZHDXXBDNXEW-UXBLZVDNSA-N	311.223	3.811	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(C)nc3)n2)cc1	764887335	LVQAODNQGOBIFE-SXGWCWSVSA-N	302.337	3.813	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2cccc(C#N)c2)c(Cl)c1	769932500	PUPMKPZPWLJBEJ-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
C[C@H](CBr)COC(=O)CCCSC(C)(C)C	770397834	DQMAXJDOZNHPHG-SNVBAGLBSA-N	311.285	3.873	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1	772838092	DEHKPPFLLDSKCB-UHFFFAOYSA-N	324.277	3.917	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCc3c(Cl)cccc32)cc1	776230967	DQXRYMGXFADCEQ-OAHLLOKOSA-N	316.788	3.522	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1cc2c(F)cccc2s1	778451565	MWCZHCIAANJCDP-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ccccc1OC(F)(F)F)CC	779203337	BRBMQZJCNPFZEW-MSRQTSMUSA-N	314.307	3.941	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCCCS1	783589023	VZLJVVXCNOOFJN-SNVBAGLBSA-N	305.230	3.722	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccccc2Cl)c1	786052083	YINGUUWITIHTPT-MHWRWJLKSA-N	310.784	3.872	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3ccc(C)s3)cn2c1	789143733	QZGCCQZDEYHFMK-QPEQYQDCSA-N	307.378	3.803	50	20	DHGD	
N#C/C(=C\c1ccsc1Cl)C(=O)c1ccc2c(c1)OCO2	790099384	FWQHWHCJOMIMMR-VZUCSPMQSA-N	317.753	3.920	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccc(Cl)c(OC)c1	790180610	SEMYVTZDESWOIG-UHFFFAOYSA-N	304.777	3.668	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](c2ccc(C)cc2)C[C@@H]1C	790897665	YVSVJVCYMRVGQX-DZGCQCFKSA-N	324.515	3.894	50	20	DHGD	
CSSCCNC(=O)c1cccc(OC2CCCC2)c1	791116035	DTKSHKJGQIGVHI-UHFFFAOYSA-N	311.472	3.749	50	20	DHGD	
Cc1ccnc(NC(=O)NNc2cc(Cl)cc(Cl)c2)c1	792358173	NSNKCUMRPTXUFP-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(F)c(F)c1F	793706991	QZNXISGMGYXHEZ-NXEZZACHSA-N	300.324	3.763	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](O)C1CCCCC1	794949727	RYYOSIYEQYDCCU-KRWDZBQOSA-N	304.434	3.503	50	20	DHGD	
CCC[C@@H](C(=O)NNc1nccnc1C1CCC1)c1ccccc1	805461150	UQMRNVSUIOWEPJ-MRXNPFEDSA-N	324.428	3.771	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)CSc1nc2ccccc2s1	807949628	JPZNRNZCNONUJB-JTQLQIEISA-N	319.455	3.681	50	20	DHGD	
Cc1ccc(CCC(=O)OC[C@@H](C)CBr)s1	811255602	UOVJVITZDVPCKX-VIFPVBQESA-N	305.237	3.563	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2nccc3ccccc23)cc1	811633376	MYLOWINBOZKCOT-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
O=C(NN=Cc1c(Cl)ccc(Cl)c1Cl)c1ccc[nH]1	818268496	NEHOEXRZJUCENO-UHFFFAOYSA-N	316.575	3.739	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)cc1	825731697	JEFPRTBQLZUQKC-ZWKOTPCHSA-N	310.397	3.722	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCC[C@H]1c1ccccc1	825745993	BEUVIRVXWNFLMO-GJZGRUSLSA-N	316.351	3.992	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1cnn(CC(C)C)c1	836435815	IVVMJESSEKZRMV-UHFFFAOYSA-N	321.812	3.650	50	20	DHGD	
Cc1ccnc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	844337653	TVEWHJANYTTYMR-HNNXBMFYSA-N	321.541	3.771	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccnc(Cl)c1	855468221	PODVSBVHVCISOH-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccc(Cl)cn3)cc2C1	856095000	DACRHCXOXILLBD-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
BrC[C@@H](CN1CCC=C(c2cccnc2)C1)C1CC1	859302691	CONUASGVEFWUGX-INIZCTEOSA-N	321.262	3.592	50	20	DHGD	
O=C(CCc1ccsc1)OC[C@H](CBr)C1CC1	859479505	ODVHJZVIJJSYKK-LBPRGKRZSA-N	317.248	3.645	50	20	DHGD	
C[C@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccncc1	869461760	JMCITLXWOYOZQK-TZQJONAQSA-N	324.218	3.640	50	20	DHGD	
CNc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)cc1	877018781	AJLBHXDPIVYWJI-PSOPSSQASA-N	323.234	3.621	50	20	DHGD	
CC(C)(C)c1ccc2[nH]c(C(=O)N3CC=C(C#N)CC3)cc2c1	935159609	HOERPVBMKRWVJU-UHFFFAOYSA-N	307.397	3.761	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)cc1Cl	1320250092	UXFUYEZHQCRBDY-BBRMVZONSA-N	324.852	3.933	50	20	DHGD	
CC(C)(C)[C@@H]1C[C@H](NC(=O)c2cccc(CCl)c2)CCO1	1335836656	GSTOJTOKIDGUOE-CABCVRRESA-N	309.837	3.749	50	20	DHGD	
CC1(C)CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1(C)C	1776046879	MCQFIYLSNOUHPM-UHFFFAOYSA-N	317.389	3.709	50	20	DHGD	
CC1(C(=O)/C(C#N)=C\c2csc3ccc(C(=O)O)cc23)CC1	1776493979	RJKQBSDFPMIFGB-WDZFZDKYSA-N	311.362	3.876	50	20	DHGD	
CC(C)(C)c1ccc(OCC(=O)NN=Cc2ccsc2)cc1	12727419	WLVWHQUYMBXJNA-UHFFFAOYSA-N	316.426	3.575	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc(Cl)ncc1Cl	121697849	GXSWOYAMISDOEX-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
COc1ccc(CCC(=O)NNc2cc(C)cc(C)c2)cc1F	136125744	RLOBCOCTEIFLKC-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
CCC1(C(=O)NNC(=O)Cc2cccc3ccccc23)CCCC1	155172597	XTEWEVAEQDCKER-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3)o2)cc1	155387324	KPFLERIDBFPAQZ-UHFFFAOYSA-N	319.320	3.700	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccc(C#N)cc1	161085266	WMJVQDQOWMTPMN-BENRWUELSA-N	311.772	3.758	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccc(F)c1Cl	173619519	HGFTVPVQMMJOAC-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)CSCC#N	175626671	DNPIHNSLLAQWDJ-UHFFFAOYSA-N	319.455	3.580	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(C(F)(F)F)ccc1F)C1CC1	178888129	HZUPKJALHXBHAV-SOFGYWHQSA-N	302.271	3.644	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(COC2CCCC2)cc1	178968445	UBYPJSKSNCWPTC-FYWRMAATSA-N	314.385	3.528	50	20	DHGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1ccc2ccccc2n1	181152605	WVIXVDMVEWWNNI-CQSZACIVSA-N	315.417	3.519	50	20	DHGD	
CCOCc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	182597636	PUSGXOLLWFPLNU-YBEGLDIGSA-N	324.355	3.908	50	20	DHGD	
O=C(CCOCC(F)F)NN(c1ccccc1)c1ccccc1	191730194	DJMFWWDNJXVSON-UHFFFAOYSA-N	320.339	3.528	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCO2)C(=O)c1c[nH]c2ccccc12	207697859	WEWPFSNSXOGLFO-JYRVWZFOSA-N	316.316	3.686	50	20	DHGD	
CSSCCNC(=O)N(C)[C@@H](C)c1ccc(F)cc1	284190546	LQVQJFLGGXFAQW-JTQLQIEISA-N	302.440	3.539	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](c2ccccc2)C2CC2)cc1	294521536	ZDZDUOGDDWUZFV-GOSISDBHSA-N	310.397	3.722	50	20	DHGD	
CSSCCNC(=O)CCc1ccc2ccccc2c1O	295887206	GKPKJEWEFBASBU-UHFFFAOYSA-N	321.467	3.605	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCCCCCC1	588515529	IDPWRUXCMVBSAO-DTQAZKPQSA-N	312.413	3.870	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)CCc2ccc(OC)cc2)C1	734981133	ZVJGJBNACSUHQZ-CQSZACIVSA-N	302.418	3.700	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])cc1Br)c1ccccc1	739310165	ATCGEBVSQNSXFZ-UHFFFAOYSA-N	322.114	3.577	50	20	DHGD	
CC(C)(C)[C@H]1CCCC(=NNC(=O)c2ccc(N)cc2)CC1	746559649	XJEHFDJIRQUDAO-AWEZNQCLSA-N	301.434	3.981	50	20	DHGD	
CCCCCCOc1cccc(C=NNC(=O)c2ccc[nH]2)c1	747042974	VWNFABKEEASUFY-UHFFFAOYSA-N	313.401	3.738	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(O)cc1)c1cccc(Cl)c1	763340653	ZFMVMDMWAGVHQY-NSHDSACASA-N	302.761	3.565	50	20	DHGD	
N#C/C(=C\c1cncc(Br)c1)C(=O)C1CCCCC1	767351617	FSQSYXGVBAFYBQ-AWNIVKPZSA-N	319.202	3.900	50	20	DHGD	
CC(C)C1CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768193429	WSBNBIFMSOQJMD-GFCCVEGCSA-N	304.272	3.691	50	20	DHGD	
C[C@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CC(C)(C)C1	768450297	PDCOWGPALLJFCD-MNOVXSKESA-N	304.272	3.691	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)CC(C)(C)C1	768450299	PDCOWGPALLJFCD-QWRGUYRKSA-N	304.272	3.691	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2nc3c(s2)CCCC3)cc1	776265916	MZMGDCLEGARKRC-JLHYYAGUSA-N	323.421	3.876	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNc2cc(Cl)ccn2)c1	778661583	LHSBKMATSSTVEO-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1cc2c(s1)CCCCC2	780854450	HYSUYLFGXCPYQQ-VAWYXSNFSA-N	320.458	3.524	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1cc2c(ccc3ccccc32)o1	782235952	NCCVQOYWNWJPOK-UHFFFAOYSA-N	302.280	3.691	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)c1cc2ccccc2o1	782243542	YUCNEPSKOWTJJP-UHFFFAOYSA-N	304.758	3.912	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](c2ccccc2)[C@@H](C)C1	790880118	HFIMRYULMUCYPL-ZFWWWQNUSA-N	324.515	3.833	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1cc(Cl)cc(Cl)c1)OCC	791734016	ZXQAFTHRZUTLIE-ZDUSSCGKSA-N	317.216	3.808	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncccc2C)cc1-c1ncco1	792327130	AYPOYLPRMFGPDQ-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
CCCN(N=C1CCOc2c(F)cccc21)C(=O)OC(C)(C)C	794995578	KSDWEOQGMFPKFV-UHFFFAOYSA-N	322.380	3.959	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@H]1CCCC(F)(F)C1	800691072	CJDXSKNIPWRWFT-VIFPVBQESA-N	311.357	3.565	50	20	DHGD	
Cc1c(NNC(=O)C(C2CCC2)C2CCC2)cccc1[N+](=O)[O-]	802830460	XVRJFRWFIQUSMW-UHFFFAOYSA-N	317.389	3.563	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)c2cc3ccccc3s2)nn1	806572659	MCSSWESRSWFGRC-QPEQYQDCSA-N	322.393	3.864	50	20	DHGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1cc(C)ccn1	810495971	RUIOYYSJSRZBMT-BENRWUELSA-N	301.777	3.590	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cccc(F)c2C#N)cc1	811685807	CUVJZLMFGXZVPJ-XNTDXEJSSA-N	319.339	3.805	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CCCCC23CCCC3)c1	814732728	VCSGVLPKSDVSOH-UHFFFAOYSA-N	313.445	3.973	50	20	DHGD	
Cc1ccc(-c2cncc(C(=O)NCC(Cl)Cl)c2)cc1	816605477	ZZGGJNLWLKTXMQ-UHFFFAOYSA-N	309.196	3.591	50	20	DHGD	
CC(C)[C@H](CC(=O)NNc1ncc(F)cc1F)c1ccccc1	837205546	BCCVRVONTBYOBT-AWEZNQCLSA-N	319.355	3.633	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	846269890	WSMVZBJVSJBZQM-KYZUINATSA-N	302.205	3.658	50	20	DHGD	
Cc1c(C(=O)NCCCSC#N)sc2cc(F)ccc12	854360348	MXKVGHBUHKKWQV-UHFFFAOYSA-N	308.403	3.683	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856092906	KGWXHDXUQYRORE-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccc(C)c(F)c1	856230036	GCDDVTUYCJCPBY-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C[C@H]2CC[C@H]1C2	860326212	ULBHNHXPIUKQDY-AMJWSMQMSA-N	323.780	3.518	50	20	DHGD	
O=C(NNc1ccccn1)Nc1nc(C2CCCCC2)cs1	880244693	IPBUDLKWVNXVPA-UHFFFAOYSA-N	317.418	3.734	50	20	DHGD	
N#C/C(=C/c1c(Cl)nc2ccccn12)C(=O)c1ccccc1	916137173	KSDLORZYUCKKTI-RAXLEYEMSA-N	307.740	3.778	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)s1	920480601	KQVYRZNOWSWLPT-RVDMUPIBSA-N	308.406	3.933	50	20	DHGD	
C/C=C/COC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	923147127	NFKUDINEYLEFCO-LSLGJYKGSA-N	300.402	3.931	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cnn(C2CCCC2)c1	928797585	GYAKZSJKZHGETG-ZROIWOOFSA-N	324.359	3.683	50	20	DHGD	
O=C(CCl)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@H]21	1261916902	IRKZLRLTOBPSSP-GLQYFDAESA-N	317.820	3.634	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1	1320339526	YQQXWFHAEHYWEU-GUNNMUBUSA-N	312.388	3.771	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)c(O)c1)[C@@H]1C[C@H]1c1cccs1	1349829744	LXUNOTYJGHFQGQ-UONOGXRCSA-N	314.410	3.672	50	20	DHGD	
N#C/C(=C/c1cccc2ccccc12)C(=O)NCc1ccco1	3570337	VQTMWHCOGAWQAM-WJDWOHSUSA-N	302.333	3.656	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@H]2C)c1C	69047995	JAGVHZRPXMZNBM-IIMQCXAKSA-N	313.445	3.823	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2cccc(F)c2)s1	187078066	KUYKXQIVHQJIRD-UHFFFAOYSA-N	315.373	3.948	50	20	DHGD	
N#C/C(=C\c1ccccc1[N+](=O)[O-])C(=O)c1cc(F)cc(F)c1	194535337	CKKBEAWSKSKWEO-LFYBBSHMSA-N	314.247	3.663	50	20	DHGD	
Cc1ccc(C=NNC(=O)COc2cc(C)ccc2C(C)C)cc1	254350110	OKXCEPCABBRLAA-UHFFFAOYSA-N	324.424	3.956	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)C(C)(C)F)ccc1Br	296002289	SONGMMSHLWAKNP-YRNVUSSQSA-N	310.166	3.982	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2cccc(F)c2)cc1	490694311	KMTIKGCRMXAQJQ-BVTUPMQUSA-N	324.355	3.619	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(F)ccc2C)c1	588393753	ZIKDLSLBQRRYQR-ZSOIEALJSA-N	310.328	3.688	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc2c(F)cccc2s1	734245781	MQFXFXPDMZLHOZ-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)CC(C)C)s2)cc1	734294701	GYGAHFHPOCENTR-UHFFFAOYSA-N	301.415	3.615	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2c(F)cccc2F)c1	735700083	DKQLPRZCRXAPJZ-UHFFFAOYSA-N	322.380	3.817	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNC(=O)CC(C)(C)C)cc1	738528738	KJOQKBMPJGOYNZ-CQSZACIVSA-N	318.461	3.887	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C)(C)C2)c1C	742875456	JERRLHPHPWBKPR-GZTJUZNOSA-N	313.445	3.680	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1cc(Cl)ccc1Cl	745823521	VGAFWDODWNSWCZ-CUQRQBARSA-N	313.184	3.615	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2cc(F)c(F)c(F)c2)c1	746704083	SBLIFBUYXDRVSH-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cccc(OC(F)F)c2)cc1	747041405	HHCYQDHLRHMSTC-UHFFFAOYSA-N	318.323	3.614	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(Br)c1)C1CCCC1	748032337	ISNAWSXJGPMVOV-SNVBAGLBSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cn1c(C)cc2ccccc21	748571576	HTUPYWVMPGZERV-UHFFFAOYSA-N	311.360	3.541	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)c1cc2cc(C)c(C)cc2o1	749158734	QOETWVKZDWARGN-UHFFFAOYSA-N	309.369	3.542	50	20	DHGD	
N#Cc1cc(C(=O)NNc2cccc(Cl)c2)ccc1Cl	757750615	VODGYNZMDDVSKF-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ccc(OC(F)(F)F)cc1	761585540	ZBYMCPBGWVMWDQ-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
CC(C)CSCCCNC(=O)[C@H](Br)C(C)(C)C	768327190	OMMLIFMNZPSVGJ-NSHDSACASA-N	324.328	3.692	50	20	DHGD	
C[C@H](CBr)CN1CC=C(c2ccc(F)cc2)CC1	770645651	KPYHDAHESYAMGJ-GFCCVEGCSA-N	312.226	3.946	50	20	DHGD	
C[C@H](CBr)CN1CCc2cccc(F)c2[C@H]1C	770651714	CLCZZTBPJAJEHC-GHMZBOCLSA-N	300.215	3.776	50	20	DHGD	
O=C(NNc1ccccc1F)C1(Cc2ccc(Cl)cc2)CC1	770812245	ZBRFVRUJMJOBIB-UHFFFAOYSA-N	318.779	3.945	50	20	DHGD	
CC(C)CC1(C(=O)NNc2nccnc2C(C)C)CCCC1	772843905	JFDUODFWUJGODF-UHFFFAOYSA-N	304.438	3.650	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc([N+](=O)[O-])c(Cl)c1	774119350	MZYSMSWVOFRWIJ-IZZDOVSWSA-N	316.700	3.940	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ncc(Cl)cc2Cl)C1	775272210	BIWUWAFNBSFXTR-CBVZUMJXSA-N	300.189	3.578	50	20	DHGD	
CSc1cccc(NC(=O)NNc2cccc(C#N)c2)c1C	775396764	PKBPIKHJNNMINR-UHFFFAOYSA-N	312.398	3.737	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)N[C@@H]2CCC(F)(F)C2)cc1	780840282	CMTLTMNBFIGBRS-CYBMUJFWSA-N	311.376	3.798	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1ncncc1Cl	781836196	KBSUMMDJWFBFEZ-GFCCVEGCSA-N	310.829	3.570	50	20	DHGD	
CCCCC[C@@](C)(CC)C(=O)NNc1cc(Cl)nc(C)n1	781942546	DXNANERYKNIORO-OAHLLOKOSA-N	312.845	3.878	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCc1ccsc1	783168197	DBIRYMTUGGSZOO-GDNBJRDFSA-N	313.378	3.537	50	20	DHGD	
COCCN(CCO[Si](C)(C)C(C)(C)C)Cc1ccco1	788012537	VLZHCGVSXBSXNH-UHFFFAOYSA-N	313.514	3.750	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1Cc1cccc(OC)c1	791445991	DRDMJAPZKONWJB-HNNXBMFYSA-N	324.262	3.653	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@@H]1CCC[C@H](O)C1	795279706	DGQXMNHDZMFKNW-HZSPNIEDSA-N	318.504	3.795	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)c(C)c1	806087544	GXALNRMOPQMGMV-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
CCc1cc(NC(=O)NNc2ncccc2Cl)ccc1F	806559830	GJBOMSNABQDTQX-UHFFFAOYSA-N	308.744	3.585	50	20	DHGD	
CCCCc1ccc(CC(=O)N(C)CC(Cl)Cl)cc1	808248871	VFYJUWYKPOBFEG-UHFFFAOYSA-N	302.245	3.834	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CC[C@H]2C2CC2)c1	814704307	MMEXOZPGKVBFSV-INIZCTEOSA-N	314.429	3.789	50	20	DHGD	
C[C@@H](C=NNC(=O)COc1ccccc1F)C1CCCCC1	814722740	NKOVWKNRUCNTAP-ZDUSSCGKSA-N	306.381	3.523	50	20	DHGD	
CCc1cnc(C=NNC(=O)Cc2cccc3ccccc23)s1	814792912	YUQNWVSMELDONE-UHFFFAOYSA-N	323.421	3.552	50	20	DHGD	
Cc1cccc2sc(NNC(=O)c3cc[nH]c3C(C)C)nc12	828358325	JMUWYDZNELTROW-UHFFFAOYSA-N	314.414	3.813	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(C)o1	843265731	OQWCCGATJLEUAD-NTEUORMPSA-N	311.385	3.901	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(C(F)(F)F)cn1	844255357	PIHOJOBIOUCIHK-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1OC	846644179	VJWGGSVMUXCHGP-CQSZACIVSA-N	316.376	3.546	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(F)c(F)c1	851892816	OBZSIXLLSLBQLJ-CKLFPEKLSA-N	304.178	3.789	50	20	DHGD	
Cc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1F	856231572	CZLKYXPPRDPSEK-UHFFFAOYSA-N	302.393	3.794	50	20	DHGD	
CC[C@@H](NC[C@@H](CBr)C1CC1)c1c(C)noc1C	859248755	JORGQUWWFDQUQR-CHWSQXEVSA-N	315.255	3.753	50	20	DHGD	
Cc1ccccc1NNC(=O)c1ccc(Br)s1	865528194	VQEFMZCKPHIQJI-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
COc1ccc(C=NNC(=O)OC(C)(C)C)c2ccccc12	915936175	FUKHUOIAJWVRET-UHFFFAOYSA-N	300.358	3.707	50	20	DHGD	
CCC(=O)NNC(=S)Nc1c(C(C)C)cccc1C(C)C	915995735	PYWVYYRHLHBREC-UHFFFAOYSA-N	307.463	3.661	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCC[C@@H](C)C2)c1C	916336826	PQBCVJBGPRTQJJ-DOMZBBRYSA-N	302.418	3.753	50	20	DHGD	
CCC(=NNC(=O)NCc1ccco1)c1ccc(Cl)cc1	920825079	DNELORYRYUDCAY-UHFFFAOYSA-N	305.765	3.547	50	20	DHGD	
C[C@H]1[C@H](C(F)(F)F)CCN1C(=O)c1cccc(CCl)c1	1347061032	QSHQLNWUDQIYEP-JOYOIKCWSA-N	305.727	3.838	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1ccc(F)cc1F	113430919	RNFWSPHASRQKIB-UHFFFAOYSA-N	306.312	3.509	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(-c2ccco2)on1	120073781	CFQHZEMQEKLSHJ-UHFFFAOYSA-N	323.352	3.570	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1ccc(F)cc1	124441265	YDLBJQGVRJKTJV-CABCVRRESA-N	304.752	3.726	50	20	DHGD	
O=C(CC1CCCC1)NNc1ccc(F)cc1Br	153820355	CMLMOWQDFZOOFB-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CCOCc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1OC	171019621	ZUFAACNAIGRVLZ-OQLLNIDSSA-N	301.386	3.754	50	20	DHGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NNc1ccc(F)cc1	176310974	RQXIUFFITYAMGP-NSHDSACASA-N	322.380	3.836	50	20	DHGD	
C[C@@H](c1ccccc1F)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188149918	HHJYTUSRIZJKEV-WZMONFQBSA-N	324.355	3.658	50	20	DHGD	
CCCOc1ccc(NS(=O)(=O)CCCCCl)c(C)c1	190742038	KGIIQRAFDJERGJ-UHFFFAOYSA-N	319.854	3.545	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)Nc1ccc(F)cc1	214124666	UGRRFSKLLROSCD-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(OC(F)F)cc1	245973166	WICNEQOSZHGJGF-SRVKXCTJSA-N	310.344	3.557	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1cccnc1Cl)c1ccccc1	255335356	PTZLZJSVFQORMR-JXCQQFQQSA-N	311.772	3.519	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(COC(C)C)cc2)c1	268414707	NGJVADKUXGMDRH-UHFFFAOYSA-N	316.376	3.816	50	20	DHGD	
C[C@@H](CBr)CN(Cc1ccc(C#N)cc1)C1CC1	274492142	PIBJEXLUZYSCSJ-LBPRGKRZSA-N	307.235	3.554	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2F)cc1	490753496	KQBGXUVWXSSZEQ-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C\c1ccsc1	492328931	JPRCKOZYHHKRIG-SREVYHEPSA-N	309.394	3.761	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)c1ccc(OCCC)c(OC)c1	727776640	ACNJIOKIFIVQAZ-ZDUSSCGKSA-N	318.417	3.802	50	20	DHGD	
COc1ccc2oc(C(C)=NNC(=O)C3CCCC3)c(C)c2c1	729141894	JIVIMGWNMQWMEL-UHFFFAOYSA-N	314.385	3.780	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)[C@H](CC)c2ccccc2)c1	731931706	OAPXTQILTYSSPS-LJQANCHMSA-N	322.408	3.895	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1nccc2sccc12	734249994	MBVDKWLFRVWYJZ-NEPJUHHUSA-N	303.431	3.956	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2cccc(Cl)c2)c1	748362530	NIUAICLISPKAEY-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1ccc2c(c1)CCCC2	748544633	PVFVRMDZESGWIJ-UHFFFAOYSA-N	312.388	3.699	50	20	DHGD	
CN(Cc1ccn(-c2ccccc2)n1)/C(=C/C#N)c1ccccc1	750791026	BNZLDODLOBBLAG-UDWIEESQSA-N	314.392	3.869	50	20	DHGD	
N#CC1=CCN(C(=O)c2sc3ccccc3c2Cl)CC1	767160010	MIOFWKXSIVQFAN-UHFFFAOYSA-N	302.786	3.851	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1c(C)cccc1F	771707184	KDCWUMLOPCUEQW-ZFWWWQNUSA-N	308.397	3.563	50	20	DHGD	
C[C@]1(CNC(=O)NNc2ccccc2)CCCc2ccccc21	775455015	QGLMNYMGVVHASV-LJQANCHMSA-N	309.413	3.607	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1occc1-c1ccccc1	778448670	IQIBLGBRSQBIMI-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C)c(Cl)c1	788185068	SRHHXHXXNFSMTL-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1noc(C)c1NC(=O)NNc1cc(Cl)cc(Cl)c1	792288654	LZQBMCCWGBIWJS-UHFFFAOYSA-N	315.160	3.747	50	20	DHGD	
CC(C)c1occc1C(=O)NNC(=O)c1cccc2ccccc12	795128655	IHZYXZCTULMUSI-UHFFFAOYSA-N	322.364	3.631	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(/C#N)C(=O)NCC(C)C)cc1	797330723	QHKUZOZRFJXHFQ-BOPFTXTBSA-N	314.429	3.791	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1nc(C2CCC2)cs1	799446224	IRRXUGBTCOLJLT-UHFFFAOYSA-N	324.356	3.837	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCN(C)C1CCCCC1	799758362	IXOUPHSDVLUSMA-UHFFFAOYSA-N	317.477	3.655	50	20	DHGD	
CCOC1(C(=O)NNc2cc(Cl)ccc2Cl)CCCC1	802828624	CCEFJOQGXWLFBL-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(F)CCCCC1	810042474	WPIXPGIUEBGVRT-UHFFFAOYSA-N	304.287	3.821	50	20	DHGD	
CC[C@@H](C)[C@@](C)(O)CNCc1ccc(OCCCCl)cc1	811480142	QQDZTAGYSGHHLO-PBHICJAKSA-N	313.869	3.581	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C2CCC2)cc1	816337174	JRQFQAQKHCRMHN-UHFFFAOYSA-N	314.360	3.859	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1occc1-c1ccccc1	817006858	CDZGTJNBOPDPKE-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
COc1ccc(CCC(=O)NNc2ccc(C)cc2)cc1Cl	817979625	CBQTXIIPUHNSFE-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	825985148	ZXSHTPMQOSNEDF-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)NCc2ccc(Cl)cc2)CC1	834958525	RVNDWEGPOJJLLQ-UHFFFAOYSA-N	318.808	3.599	50	20	DHGD	
CCCN(N=Cc1ccnn1CC(C)C)C(=O)OC(C)(C)C	842533912	WZXLOEITCZDMFK-UHFFFAOYSA-N	308.426	3.520	50	20	DHGD	
Cc1nc(C)c([C@H](C)NC[C@]2(C)C[C@@H]2Br)s1	851927733	DYNSXGITFGBQPE-JWYUURKGSA-N	303.269	3.584	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NC[C@@]1(C)C[C@H]1Br	857392007	XALHDEHJDOQLHS-DGCLKSJQSA-N	316.626	3.552	50	20	DHGD	
COc1cccc(C(C)(C)C(=O)NNc2cc(F)ccc2C)c1	869239166	LVZPZBUAMUKJFK-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1)c1cc2c(s1)CCC2	916315102	GWFLAXKJTJKJDE-UHFFFAOYSA-N	304.802	3.654	50	20	DHGD	
CCC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cccs1	916339081	ZXJARESXNXQGPI-UHFFFAOYSA-N	311.410	3.702	50	20	DHGD	
Cc1ccc(O)c(C=NNC(=O)c2ccc(Cl)cc2Cl)c1	916662593	HKEJWSPALKVKJU-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1sc(C(C)(C)C)nc1C	917553189	XYTVOOBWGNPUSF-UHFFFAOYSA-N	321.368	3.542	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(C)cc1Cl	1261361564	XJFVWIRHUYNYOA-UHFFFAOYSA-N	320.824	3.745	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	1321168058	XZBRGVSHYZSWKT-NSHDSACASA-N	323.368	3.784	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(N)=O	101290	WKZPFRTVMUBECD-UITAMQMPSA-N	307.136	3.646	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c2ccccc2n1	72495481	UYOCODPBOMHPBW-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)Nc1ccsc1	92928513	DYQHHUJBCDQPCU-UHFFFAOYSA-N	317.292	3.795	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1ccc(Cl)cc1	120261429	PUZKXLZAHBOQKL-ZDUSSCGKSA-N	300.789	3.903	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1ncc(Cl)cc1Cl	132766687	PMLAEQAIOQLHJF-MRVPVSSYSA-N	322.261	3.753	50	20	DHGD	
C[C@H]1CC[C@H](CCC(=O)NNc2c(Cl)cccc2Cl)O1	133151450	IFACMRXAAZHXGU-VHSXEESVSA-N	317.216	3.784	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1cccc(C(F)(F)F)n1	155831982	RHTKSLBTLCQPSX-SNVBAGLBSA-N	315.339	3.760	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2ccc(F)cc2C)cc1	160839587	NUABTLUUJIKSHX-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2cccc3cnccc23)cc1	178477044	BXBKROZIQZTVFW-UHFFFAOYSA-N	319.408	3.873	50	20	DHGD	
Cc1cc2occ(CC(=O)NNc3ccncc3)c2cc1C(C)C	180522057	MSDQPYQMGBNZBM-UHFFFAOYSA-N	323.396	3.945	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2ccc3ccccc3n2)cc1	181088328	LNMUBRLZYFSSEL-UHFFFAOYSA-N	319.408	3.964	50	20	DHGD	
O=C(NNc1ccccn1)c1cc(-c2ccccn2)ccc1Cl	181213207	AISZXVXBRIICTE-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1	254926111	FGICSRDXTTYYFE-GYZOOYGHSA-N	320.392	3.788	50	20	DHGD	
CCN(CC)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	255948329	DXGXQIGYVDTGDH-LDADJPATSA-N	315.461	3.926	50	20	DHGD	
Cc1cccc([C@@H](C)CNC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	588607670	HCQYGXXBLFXRNC-LZNAANCOSA-N	320.392	3.528	50	20	DHGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)CC2CCCC2)CC(C)(C)C1	727488857	ZRWYLMGQKLBIMA-HIFRSBDPSA-N	308.466	3.567	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccc(O)c(Cl)c1	734094845	WEDWZWNUTCKVSZ-VOAKCMCISA-N	318.804	3.588	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccc(OC)cc1	746882910	IUYLDCWYMUUEEV-MRXNPFEDSA-N	316.426	3.709	50	20	DHGD	
O=C(Cc1cccc(Cl)c1)NNc1cccc2c1CCCC2	748573860	NQTGUWNWUCIHAV-UHFFFAOYSA-N	314.816	3.905	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(C)CCC=C(C)C)cc1OC	749159182	YBOZDHVFOLBXCN-UHFFFAOYSA-N	318.417	3.946	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)c1cc2ccccc2o1	749476012	AWOJVIKHPQSDIW-ZDUSSCGKSA-N	316.401	3.800	50	20	DHGD	
CCC(CC)C(=O)NNc1ccc(Br)cc1Cl	751389023	SXFDWFWGKHLXOL-UHFFFAOYSA-N	319.630	3.982	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)c1ccc2ccccc2n1	755464098	QNKBPCGJMBJMLL-IAGOWNOFSA-N	315.376	3.754	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(-c2ccccc2)ccc1OC	756825718	KCVVGSLHSDTUSJ-CQSZACIVSA-N	310.397	3.858	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@H](F)c1ccccc1	769605637	MCKIMMLYTWALFP-CYBMUJFWSA-N	312.266	3.859	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccc(Br)cc1	769607033	XRYNXTIYFGZKLJ-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc(Cl)ccc1F	770319565	VSKPVBKJFMJMKM-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
C/C(=C/C(=O)OC[C@H](C)CBr)c1ccc(F)cc1	770363513	WIFVURMPVSBSKR-PAKSIRSJSA-N	315.182	3.803	50	20	DHGD	
Cc1cc(/C(C#N)=C2/COc3ccc(F)cc32)ccc1[N+](=O)[O-]	774557108	AKQINBQNGMBFHI-PFONDFGASA-N	310.284	3.869	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	783964860	BAPIWOIKMSMQFH-OAHLLOKOSA-N	318.461	3.718	50	20	DHGD	
C=CCCN(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	786672388	WSQDXUGIJMSTDR-WQRHYEAKSA-N	313.445	3.702	50	20	DHGD	
COc1cc(NNC(=O)N[C@H](C)CCC(C)C)ccc1Cl	788846226	RFZIHUAKLBLNFN-LLVKDONJSA-N	313.829	3.799	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC2(C)C)c(C)n1-c1ccccc1	788954491	KPRDPEBOAPRSEV-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
CSSCCNC(=O)N(C)[C@@H]1CCCc2ccccc21	807227048	WAUKZYYKWMNDGU-CQSZACIVSA-N	310.488	3.717	50	20	DHGD	
COC(=O)c1occc1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	812248374	LBVARRCRWONRII-UXBLZVDNSA-N	322.242	3.544	50	20	DHGD	
Cc1csc(CNC(=O)NNc2c(C)cccc2C(C)C)n1	813031798	IOVPIKQRUBEXOC-UHFFFAOYSA-N	318.446	3.710	50	20	DHGD	
O=C(NC[C@H]1CCCCC(F)(F)C1)NNc1ccc(F)cc1	813763368	NOQSJATXMYGGFJ-NSHDSACASA-N	315.339	3.667	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(Br)cc1F	819411782	RGDGQLWVEFKXRA-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
C=CCC1(C(=O)NNc2cc(Cl)nc(Cl)c2)CCC1	819747430	OYRKVQXHNQFBPY-UHFFFAOYSA-N	300.189	3.578	50	20	DHGD	
CO[C@@H](C1CC1)[C@H](C)NCc1ccc(OCCCCl)cc1	825098623	LTDOLWLLJKNJAV-SUMWQHHRSA-N	311.853	3.597	50	20	DHGD	
CC(C)c1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1[N+](=O)[O-]	834446897	FMHOLXSSTFWZLB-GHXNOFRVSA-N	304.321	3.942	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccc(C3CC3)nn2)cc1	836457402	BZPSFMDUGLZLHF-UHFFFAOYSA-N	311.389	3.626	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc3c2CCCC3)c(C2CC2)n1	836778307	FKURSNUVFHLDOR-UHFFFAOYSA-N	321.424	3.903	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@@H](O)C[C@@H]1c1ccccc1	839635907	LEKWJBBDCYYWOO-DLBZAZTESA-N	321.537	3.816	50	20	DHGD	
C=CCC1(C(=O)NNc2nc3ccccc3n2C)CCCCC1	848380965	YASSITCKDRGCCV-UHFFFAOYSA-N	312.417	3.543	50	20	DHGD	
CCc1nocc1COC(=O)CCCC[C@@H]1CCSS1	848692179	WEXVHJJFWNQISP-GFCCVEGCSA-N	315.460	3.994	50	20	DHGD	
Cc1ccnc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1	852523963	DQBSJINFQFNESC-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
O=C(NNc1ncc(Cl)cn1)Nc1ccc(C2CCC2)cc1	856862499	AWFDYZHKEXTUJH-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
CCc1cnc(CN(C)C[C@H](CBr)C2CC2)s1	859154312	BXPIWFGSHAWWIL-NSHDSACASA-N	317.296	3.558	50	20	DHGD	
C[C@@H]1[C@H](C(F)(F)F)CCN1C[C@H](CBr)C1CC1	859284951	SGONFZUTHJAMBA-DVVUODLYSA-N	314.189	3.680	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@H]1CCCCC1(F)F	863082054	BYTXZOATMMUELJ-SECBINFHSA-N	306.715	3.748	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(C3CCC3)c2)c(C)c1	899338727	QOCFAPQIBQCDFS-CXUHLZMHSA-N	320.396	3.771	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C	914528380	XNLLDJWWRXJZRX-PDGQHHTCSA-N	321.424	3.788	50	20	DHGD	
O=C(NN=Cc1ccc2ncccc2c1)c1ccc(Cl)cc1	916254481	YCRYHMKCJBNMPG-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCC(=O)[C@H](C)C1(C)C	928336925	DUYWMSCYVMZDRC-WCQYABFASA-N	322.836	3.733	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1ccc(Cl)cc1F	1119878065	DWLHIAURQLARNF-UHFFFAOYSA-N	324.743	3.802	50	20	DHGD	
CCC1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCCCC1	1320363592	IJAAPCLCWGFTIJ-UHFFFAOYSA-N	304.438	3.578	50	20	DHGD	
COc1cc(F)cc(NC(=O)[C@@H](Br)C(C)(C)C)c1	1338071375	HKZZNRMIQAAKQM-LLVKDONJSA-N	318.186	3.582	50	20	DHGD	
O=C(Nc1ccccc1O[C@@H]1CCOC1)C1CCC(Cl)CC1	1349310430	LESFILPKLLYVMT-JXQTWKCFSA-N	323.820	3.590	50	20	DHGD	
O=C(NCCc1ccc(F)c(F)c1F)C1CCC(Cl)CC1	1528095616	XTAATNUJMUBDAF-UHFFFAOYSA-N	319.754	3.560	50	20	DHGD	
COc1cc(Cl)c(C)cc1NC(=O)/C(C#N)=C/c1ccco1	20787071	NRMGUEIWBRSMSO-YRNVUSSQSA-N	316.744	3.796	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1csc(-c2ccoc2)n1	108256462	YBPQXPDUDOOHII-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CCCc1ncc(C(=O)NNc2cccc3c2CCCC3)s1	120326955	LFSMXTYLBOUIKG-UHFFFAOYSA-N	315.442	3.731	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	125504299	NSNOKCAZTILRLZ-PACYTGELSA-N	307.397	3.844	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCC(=O)c2ccc(C)s2)c1	125996309	FWVZKYRIWDHRSJ-UHFFFAOYSA-N	316.426	3.780	50	20	DHGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2c(Cl)cccc2Cl)O1	133151247	IFACMRXAAZHXGU-NXEZZACHSA-N	317.216	3.784	50	20	DHGD	
O=C(NNc1ccccc1Cl)C1(c2cccc(F)c2)CC1	158348778	XXYTWUNGNLTFOA-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)ccc21	178898443	BBHPOSRSYUGWCO-LFIBNONCSA-N	305.337	3.651	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2C)cc1	178917134	AEMZFAWMFDUNCF-RVDMUPIBSA-N	322.364	3.645	50	20	DHGD	
Cc1ccccc1NNC(=O)Cc1c(C)nc2ccccc2c1C	192733392	MTUPSCVSCFSAGP-UHFFFAOYSA-N	319.408	3.846	50	20	DHGD	
Cc1ccccc1NNC(=O)CCc1nc2ccccc2s1	192737438	UQTUYKSVISFMPR-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
COc1ccc(C(=O)NNc2ccccc2C)c2ccccc12	194541089	SWABGAGLTDWNKS-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccccc1Br	254631691	PHGLYPVHENUFBX-UHFFFAOYSA-N	317.186	3.603	50	20	DHGD	
CN(Cc1nc2ccccc2n1C)/C(=C\C#N)c1ccccc1	255002769	UUMLXWOOAYRSCQ-ATVHPVEESA-N	302.381	3.570	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)c1	255897697	IVBHCJGZSZFGSY-MPMPPSQCSA-N	308.356	3.919	50	20	DHGD	
C[C@H]1[C@H](N2CCCC2)CCN1CCO[Si](C)(C)C(C)(C)C	377524947	PMPZWHQHHRKTSA-JKSUJKDBSA-N	312.574	3.567	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc2cccc(C)c2nc1Cl	490587192	DWJAURPUXFWALL-ZROIWOOFSA-N	313.788	3.630	50	20	DHGD	
CCCN(N=C(C)c1cccc(C#N)c1)C(=O)OC(C)(C)C	495810441	OFSPBRDNVSTGDH-UHFFFAOYSA-N	301.390	3.929	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)o1	732765276	LBLRVONHZZBGLG-NHYWBVRUSA-N	316.788	3.749	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1sccc1C	733745865	CSPYIZBJQIIPJG-LBPRGKRZSA-N	320.389	3.503	50	20	DHGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCC[C@H](C2CC2)C1	737426824	DSGJMBTWMILONR-RDJZCZTQSA-N	319.493	3.571	50	20	DHGD	
CC(C)(C)N1CCC(=NNC(=O)c2cccc3ccccc23)CC1	741465503	MXTCIHFPOAXSAW-UHFFFAOYSA-N	323.440	3.820	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C)cc3c[nH]nc23)c(C)c1	743764618	SPULOBFTSUALLA-UHFFFAOYSA-N	308.385	3.553	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(Cl)c(F)c2)cc1C	746700650	MWEUGHPTEHCUGO-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
O=C(NNc1ccccc1F)c1[nH]c2ccccc2c1Cl	748049099	RUZLFALLWANSHS-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2C[C@]23CCc2ccccc23)c1	748359565	UPJSKYIKSWYGOE-QUCCMNQESA-N	306.409	3.651	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1ccsc1	748749340	YUOBOVCJVWNMPD-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2)ccc1Br	762238698	YTFVGSMNQSKKCW-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1sccc1O	769781970	UFFOMZTYMFDIOH-UHFFFAOYSA-N	324.405	3.690	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)c1	771514935	WWVCIODZJPJIQJ-LFIBNONCSA-N	319.360	3.865	50	20	DHGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1ccccc1O	776758835	YVQZECLWJSBNLI-UHFFFAOYSA-N	324.355	3.885	50	20	DHGD	
CCCc1nc(C)c(NC(=O)NNc2ccc(F)cc2)s1	777017619	YXOOYOURAWDRHM-UHFFFAOYSA-N	308.382	3.692	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2cc(C)ccc2F)cc1	778932400	UKVKREYDXRVWMM-AWEZNQCLSA-N	300.377	3.764	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1ccccc1OC(F)(F)F	779201858	PTYIDYIHAOQDPV-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)c2c(c1)C[C@H](C)O2	781554332	MTFDQBDGVFNLET-WIJRQFRKSA-N	311.381	3.685	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3ccc(F)cc3)cn2c1	789126497	FVBVBGLBEWGKPX-RIYZIHGNSA-N	305.312	3.572	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc(F)cc1F	790804722	PNCCETMGYDEJJI-UHFFFAOYSA-N	304.340	3.920	50	20	DHGD	
C=C(CBr)CN1CCc2cc(Cl)ccc2C1	791540951	DDDVPJQZDSYQDH-UHFFFAOYSA-N	300.627	3.649	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccccc1OCC(C)C	792247601	DEQQDHHIDCWRDN-UHFFFAOYSA-N	314.389	3.573	50	20	DHGD	
CC(C)(C#N)c1ccc(C(=O)NNc2ccccc2Cl)cc1	793705187	BMXRVOXLJDCYOO-UHFFFAOYSA-N	313.788	3.898	50	20	DHGD	
C=C(CBr)COC(=O)[C@]1(C)CCc2ccccc2C1	795537025	ZGPKSQBLZVDUJK-MRXNPFEDSA-N	323.230	3.676	50	20	DHGD	
N#CCN(Cc1ccc(OCCCCl)cc1)C1CCCC1	798184853	HFYPUIMPTGFPDQ-UHFFFAOYSA-N	306.837	3.962	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)CCCCC(C)(C)C)c1ccccc1	804366945	YJXYRSUOOVQAQA-MRXNPFEDSA-N	318.461	3.934	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1nccc2sccc12	806861445	OCCOOEIJBHMRAO-UHFFFAOYSA-N	301.371	3.770	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1ccc(OC)c(OC)c1	807945885	VQECTCSXQKPPIC-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1c(F)cccc1Cl	807970342	FZVCJHYWRCMZJC-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
Cc1noc([C@@H]2CCCN2CCO[Si](C)(C)C(C)(C)C)n1	808758405	ABKJJVIZJONEHQ-ZDUSSCGKSA-N	311.502	3.537	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(C2=CCCC2)cc1	810792450	AZSOMUCXUMNZPY-UHFFFAOYSA-N	318.380	3.887	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](F)CC2CCCCC2)cc1	817911171	LIVZSXYDKWDOFS-INIZCTEOSA-N	308.397	3.837	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2cc(F)ccc2C)c1C	822927041	ZNXSWGROVXXVSS-LLVKDONJSA-N	319.384	3.759	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ccc(C(C)C)nc1O	830096131	CUCASHHJYIRTON-UHFFFAOYSA-N	319.792	3.629	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1C[C@H]2[C@H]3C=C[C@@H](C3)[C@H]2C1	833107180	SFWKWTXRFQAQEI-UVPYHEFZSA-N	323.527	3.981	50	20	DHGD	
CCO[C@@H]1CCC[C@H]1NC(=O)CCCC[C@H]1CCSS1	837139042	GTSQBBLBDYKEQV-BFHYXJOUSA-N	317.520	3.774	50	20	DHGD	
CCC(=CC(=O)NNc1cc(F)ccc1Br)CC	839878655	FJKVWJQVFHOVGB-UHFFFAOYSA-N	315.186	3.778	50	20	DHGD	
Cn1ccnc1CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345450	RMTQFLUCIFNSBS-UHFFFAOYSA-N	323.557	3.654	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCc1ccccc1Cl	848083299	TVIZSKDPOBJUIM-UHFFFAOYSA-N	308.636	3.925	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2nnc(C3CC3)o2)C1	852522650	NAMRSSXNFPODRO-CYBMUJFWSA-N	323.513	3.543	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2cc(C(F)(F)F)ccn2)c1	854677701	NJGGHAUTLSXJEH-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNc1ncc(Cl)cn1	857729221	OAOVCMJRVMAUFG-LBPRGKRZSA-N	310.829	3.570	50	20	DHGD	
CN(CCC1(C#N)CCCCC1)NC(=O)OCc1ccccc1	859385759	YBKMBCPXDZPVFB-UHFFFAOYSA-N	315.417	3.624	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1ccc(F)c(Cl)c1	863082389	IWEHFCXAVWHWII-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
Cc1cccc(NNC(=O)COc2cc(C)ccc2C(C)C)c1	912637376	KAHDHGYFNVJRCZ-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CCCCCCC[C@H](C)CNC(=O)NNC(=O)C1CCCC1	918136600	PWAYAPYVHGDDMO-AWEZNQCLSA-N	311.470	3.504	50	20	DHGD	
CC(=NNC(=O)NCc1cccc(C(F)(F)F)c1)C(C)C	921261076	LZDIOPUCRFJTKR-UHFFFAOYSA-N	301.312	3.537	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3ccccc3C)cn2c1	1117070192	DLEDJZIDALVGDI-DHDCSXOGSA-N	301.349	3.741	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1C[C@H]2C[C@]2(c2ccccc2)C1	1120692775	JTWZSYVHFQMKLU-IEBWSBKVSA-N	311.812	3.839	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045316	STHORSULYPHEQS-RYUDHWBXSA-N	317.389	3.709	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	115522180	GDJBSRDJMFOLDA-NTMALXAHSA-N	303.264	3.695	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ncc(Cl)cc1Cl	132981428	ZBMUSSQJZMTUEK-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(C)cc2)c1C(C)C	156225946	XIMCKWLTWYQDPK-UHFFFAOYSA-N	313.401	3.714	50	20	DHGD	
COc1cc(C)sc1C(=O)NNc1ccc(Cl)c(F)c1	175427114	MIDPSXASZPMIAQ-UHFFFAOYSA-N	314.769	3.615	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CSc2ccccc21	175447050	WTGURAQZHLIDGB-NSHDSACASA-N	322.792	3.812	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1cc2c(s1)CCCCCC2	182474435	VOJHXIZFTHVYBQ-UHFFFAOYSA-N	319.405	3.698	50	20	DHGD	
C[C@H](CBr)CN1CCSC[C@H]1c1ccccc1	248704208	LOKWOCGLOBQEBY-OCCSQVGLSA-N	314.292	3.808	50	20	DHGD	
COC(=O)NN=C(C)c1ccc2c(c1)Nc1ccccc1S2	254499568	KVDJVTZYMHQOAW-UHFFFAOYSA-N	313.382	3.975	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cc(F)c(O)c(F)c2)c1	255124943	WMMPLDRNUXIKDK-WUXMJOGZSA-N	314.291	3.525	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1cc(Cl)ccc1Cl	267893966	ZMNDHQGIUTZSKN-UHFFFAOYSA-N	301.095	3.779	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)[C@H]1CCCOC1	280859432	CDBIGIAGUHVWEX-OXBCTQFSSA-N	309.287	3.608	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Oc2ccncc2)c(C)c1	491084395	NRLIBMZDYYZGDF-OWBHPGMISA-N	323.352	3.565	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H](c1cccs1)C1CC1	491173814	FRQUUDRRNHRYLE-QXSWTLKVSA-N	324.405	3.628	50	20	DHGD	
CCC[C@H](C)CC(=O)NNC(=S)Nc1ccccc1C(C)C	727174254	JOUMMVZCXUHIND-ZDUSSCGKSA-N	321.490	3.954	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCSCC)c1C	727629705	GAIRXLWZNZXBAY-LFIBNONCSA-N	320.458	3.718	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cccc2cccnc12	727689655	YENBNMARRSIOHO-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
O=C(CCn1cccc1)NN(c1ccccc1)c1ccccc1	746111661	BXMACWSKFINMKK-UHFFFAOYSA-N	305.381	3.748	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1cccc(F)c1	748089385	VXROPWGQCRNTON-KCXAZCMYSA-N	308.397	3.643	50	20	DHGD	
O=C(CNc1ccccc1Cl)NNc1ccc(Cl)cc1	749271074	SOKGQDHIJZODGL-UHFFFAOYSA-N	310.184	3.549	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2ccccc2[N+](=O)[O-])CC1	751535818	LMZHIRGUSMBLDF-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1scnc1Cl	752810607	CIEMOJDLNWJCTE-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
O=C(CC1CCCC1)NN=CCCCCOc1ccccc1	753959864	MQJUPLCPZMVVLH-UHFFFAOYSA-N	302.418	3.918	50	20	DHGD	
CCSc1ccc(C(C)=NNC(=O)c2ccc(C)o2)cc1	755768902	RDLUDNTWSNSGNE-UHFFFAOYSA-N	302.399	3.854	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCC[C@H]2CC)cc1OC	758373319	WTLVTZJKTMAUDT-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
CC[C@@H](C)[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768511699	BKEDLJTWBIEVAL-CXAGYDPISA-N	322.412	3.836	50	20	DHGD	
CCc1ccc(O)c(C(=O)NNc2nc3ccccc3cc2C)c1	777481984	QAFPOZYTDUUXTA-UHFFFAOYSA-N	321.380	3.568	50	20	DHGD	
Cc1occc1-c1cc(NC(=O)NNc2ccc(F)cc2)no1	786214828	NMPJBKSZDKFVKA-UHFFFAOYSA-N	316.292	3.531	50	20	DHGD	
CC(C)(NCCO[Si](C)(C)C(C)(C)C)c1nccs1	788020261	OWRSYZWTAVWYLK-UHFFFAOYSA-N	300.544	3.990	50	20	DHGD	
CC(=NNC(=O)NCC1CC1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788426051	WVUKESIZCOKTIZ-WDEREUQCSA-N	311.838	3.590	50	20	DHGD	
O=C(NN=CCC1CCOCC1)c1ccc(Cl)cc1Cl	788702483	SOELLNYZNGEJLA-UHFFFAOYSA-N	315.200	3.526	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	794954620	VMFACZXTOOLBAW-OZYJXZHSSA-N	303.789	3.805	50	20	DHGD	
N#CC[C@H](CC(=O)NNc1ccc(Cl)cc1)c1ccccc1	795192826	NWCFHXYGOCBBQV-CQSZACIVSA-N	313.788	3.871	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc(-n2cccn2)c1	799757916	ORRMHVDBXBZJPM-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)[C@H](C)C1	799760004	BAVLIXDMGUOMGW-MCIONIFRSA-N	317.520	3.726	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H](C)CC(C)(C)C	805372412	BFYIBGYDTKLNRG-NSHDSACASA-N	307.394	3.809	50	20	DHGD	
Cc1cc(C(=O)NNc2ccnc3cc(Cl)ccc23)c(C)o1	812019313	MATSFRHABDSULY-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CCC[C@@H]1C[C@H]1C(=O)NNC(=S)Nc1ccccc1C(C)C	812495148	BOMVYXQRBDMTEE-TZMCWYRMSA-N	319.474	3.564	50	20	DHGD	
CCc1ncc(C(=O)NNc2c(C)cccc2C(C)C)s1	812766424	GUOOMQAJQAPXTC-UHFFFAOYSA-N	303.431	3.894	50	20	DHGD	
CCCC(=NNC(=O)c1cccc2cccnc12)c1cccnc1	814824378	UCBKPTLWVOMPCK-UHFFFAOYSA-N	318.380	3.564	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1nc(C)sc1C	815006448	UUXRKRJLJYKYEJ-UHFFFAOYSA-N	324.356	3.584	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1c(O)cccc1Cl	820510024	KWLMEVIFCGPSAN-JTQLQIEISA-N	320.614	3.794	50	20	DHGD	
Cc1ccc(Oc2ccccc2NC(=O)NN(C)C2CC2)cc1	823978014	LXSDFSCHOLKWQM-UHFFFAOYSA-N	311.385	3.918	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCC[C@H]1c1ccccc1	827516110	MFUKJAIPIOTHNO-LSDHHAIUSA-N	320.396	3.590	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Cc2ccc3c(c2)COC3)cc1	837052702	JNZGVHAYVXDCAW-UHFFFAOYSA-N	310.397	3.526	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1C[C@H](C)O[C@H]1C	840430385	NULXXLOWSPMBLL-KKUMJFAQSA-N	319.449	3.558	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	843832613	CPJJQJINFSZNJA-GXFFZTMASA-N	312.360	3.803	50	20	DHGD	
CSCCCCCNC(=O)NNc1cc(F)cc(Cl)c1	854005561	BNRMCYUWPNHCNX-UHFFFAOYSA-N	319.833	3.639	50	20	DHGD	
CC(C)c1ccccc1C(=O)NNc1nccnc1C1CCC1	854459269	GUYJPQDZLNNAKI-UHFFFAOYSA-N	310.401	3.624	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857395689	ZAWFPZXJBYHQQY-WCQYABFASA-N	316.626	3.552	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc3ccccc3c2)C[C@H]1Br	857405175	PRWPRCAXSFPQLX-GDBMZVCRSA-N	318.214	3.743	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1cc(C(F)(F)F)ccn1	857514564	RJTJGDOJXVNALU-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(C(F)(F)F)ccc1Cl	861696433	IYMGNEVFFLAONF-UHFFFAOYSA-N	320.525	3.892	50	20	DHGD	
C[C@@H](NS(=O)(=O)CCCCl)c1cc2ccccc2s1	881868498	GRXGTDPAORRQHS-SNVBAGLBSA-N	317.863	3.511	50	20	DHGD	
CCCN(N=Cc1cc(F)cc(F)c1O)C(=O)OC(C)(C)C	884464854	FAKMHVYLZQEZPS-UHFFFAOYSA-N	314.332	3.651	50	20	DHGD	
CCn1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)c(C)n1	899377980	KVLQFJWQRWNJRH-IZZDOVSWSA-N	306.291	3.689	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2ccc3ccccc3n2)C1	901118769	IVRUUFZUDNAIBV-AWEZNQCLSA-N	313.426	3.626	50	20	DHGD	
COc1cc(C(=O)/C=C/c2ccc(OCCCCl)cc2)on1	901512310	JRODFCAGJYSKLK-VMPITWQZSA-N	321.760	3.587	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1cccc(OCc2ccccc2)c1	915940928	FHURGIQJVAMDQO-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)s1)C(C)C	916354003	AODBICVOJURYRM-UHFFFAOYSA-N	303.225	3.662	50	20	DHGD	
O=C1CCCC[C@H]1[C@@H]1CCCN1C(=O)C1CCC(Cl)CC1	1123753810	ANLDTPWVOHCUCO-WUCCLRPBSA-N	311.853	3.534	50	20	DHGD	
C[C@@H](Cc1ccc(NC(=O)C2CCC(Cl)CC2)cc1)C(=O)O	1592857761	MCSPNYVHKCMATE-XGNXJENSSA-N	323.820	3.686	50	20	DHGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1ccc(F)cc1	97147231	KSCQGXYNGVCXFP-XFFZJAGNSA-N	302.255	3.650	50	20	DHGD	
N#CC(C#N)=CNc1nc(-c2ccc(F)c(Cl)c2)cs1	98161559	CBGWADKURCZDSC-UHFFFAOYSA-N	304.737	3.946	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2cc(F)ccc2o1	119057858	WBLXHXZVNBGWIG-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1ccncc1Cl	126900183	XTLFGPBODZLMAX-CYBMUJFWSA-N	317.820	3.837	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccncc1Cl	154779754	BQXRXFVVCISYOO-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@H](C)c2ccc(F)cc2)c1	156955785	JDDPHKDNUYQAKH-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1c(F)cccc1F	173749376	PAIRIYZJZBCNME-LLVKDONJSA-N	322.330	3.816	50	20	DHGD	
C[C@H](C(=O)NNc1ncccc1Cl)c1ccc(Cl)s1	176159995	LFIBMIKQCZGKNA-ZETCQYMHSA-N	316.213	3.697	50	20	DHGD	
CCc1ccsc1C(=O)NNc1nc2ccccc2cc1C	181322619	XUXIPCBCBFUAAE-UHFFFAOYSA-N	311.410	3.924	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2c(C)cccc2F)cc1	184364090	TYAHDAGGOZQTFA-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
N#C/C(=C\c1cccc(OC(F)F)c1)C(=O)NC1CCCCC1	192724541	WTGDOSJJMMTVRW-UKTHLTGXSA-N	320.339	3.644	50	20	DHGD	
COC(=O)N(C)N=CC(Cc1ccccc1)Cc1ccccc1	495943267	QZEHMTLBZRORTM-UHFFFAOYSA-N	310.397	3.772	50	20	DHGD	
C#CCCCOC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	727041839	QIJNPDJXTOCTOH-AQTBWJFISA-N	312.413	3.769	50	20	DHGD	
C[C@@H]1CCCC1=NNC(=O)Cc1nc(-c2ccccc2)cs1	729142585	AEENCNPKDXSZNI-GFCCVEGCSA-N	313.426	3.645	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CC1	734122717	KBRZCXLDEQJVDF-UHFFFAOYSA-N	323.780	3.828	50	20	DHGD	
O=C(NN=C[C@H]1CC=CCC1)Nc1ccc(OC(F)F)cc1	741770287	CTXPZHLXMQPLMQ-NSHDSACASA-N	309.316	3.752	50	20	DHGD	
N#C/C(=C\c1ccc(Oc2cc(F)cc(F)c2)cc1)C(=O)O	742575203	CFOWKEPBVCCZDN-VZUCSPMQSA-N	301.248	3.749	50	20	DHGD	
CCc1cccc(OCC(=O)NNc2ccc(Cl)c(F)c2)c1	746697308	QQNBACSXEWWVTP-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3cc(Cl)ccc3[nH]2)cc1	746887052	PLFZBEAQDHWICB-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1)C(=O)NCc1ccccc1	747697227	WMAHJGHSNADOHG-GUSDSWBTSA-N	306.340	3.605	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1ccc(F)cc1C	748570172	BRMUUPOAGJJIAN-MRXNPFEDSA-N	308.397	3.705	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(Br)cc2C)CC1	748730693	BSDNEARGMSOBCR-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
CN(CCOc1ccc(F)cc1)/C(=C/C#N)c1ccc(F)cc1	750600472	XYCCLACCBAKLGS-VCHYOVAHSA-N	314.335	3.840	50	20	DHGD	
CC(=NNC(=O)c1ccc(OCCC(C)C)cc1)C(F)(F)F	761749308	OYXCIHQOQODFGS-UHFFFAOYSA-N	316.323	3.780	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1C#N	766456339	ZNAXOWGVJIZJEQ-UHFFFAOYSA-N	313.360	3.784	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)Nc2ccccc2C(C)(C)C)n1	769926227	YZMQSXHQDYAXMD-UHFFFAOYSA-N	313.405	3.540	50	20	DHGD	
C[C@H](CBr)COC(=O)/C=C\c1ccc(Cl)s1	770315222	AULNUBOGVQQFNI-QIUOEGRZSA-N	323.639	3.989	50	20	DHGD	
C[C@@H](CBr)COC(=O)C1(Cc2ccccc2)CC1	770392238	QCBGEVAYXZNKSR-LBPRGKRZSA-N	311.219	3.584	50	20	DHGD	
CC(C)(C(=O)N1CC=C(C#N)CC1)c1ccc2ccccc2c1	780688432	HPXHDAZXXDVWKL-UHFFFAOYSA-N	304.393	3.800	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@@H](C)[C@@H]2C)cc1OC	781122301	SDLYQXMAVZFZAK-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccc(Br)cc2)C1	782017170	QVZIXLGIYWYJFY-JTQLQIEISA-N	311.223	3.719	50	20	DHGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	783856534	YLQYJCGTSZCUBF-MNOVXSKESA-N	316.430	3.680	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccccc2C(F)(F)F)c(O)c1	786729317	SMVKQAVZZDUACB-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
COc1ccc(C(=O)NN=C(CC(C)(C)C)C2CC2)cc1OC	787148572	VPLAKDRAWLKOPV-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C(CC(C)(C)C)C2CC2)c1	787153232	BMUVLYHKIMQDET-UHFFFAOYSA-N	301.434	3.685	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1c1ccc(F)cc1	790879952	PWXOGVYXHSEAGV-CYBMUJFWSA-N	314.451	3.683	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2cc(-c3ccccc3)on2)c1	794780150	AAWURLDHCRVUBZ-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(N(C)c2ccccc2)cc1	798179424	ZUKSPTZPUHIBTH-SAPNQHFASA-N	319.408	3.888	50	20	DHGD	
CN(NC(=O)CC(C)(C)CC(=O)c1ccccc1)c1ccccc1	799832403	YMLYOIFAALEIEJ-UHFFFAOYSA-N	324.424	3.843	50	20	DHGD	
O=C(/C=C/C1CCCCC1)NNC(=O)Nc1ccc(Cl)cc1	802017538	QOBMWCXNYLWUGM-IZZDOVSWSA-N	321.808	3.629	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCc2ccncc2)c1C	803255534	OERNVEFUKVXBDJ-WQRHYEAKSA-N	323.396	3.560	50	20	DHGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccccc1F	807119149	XKVYJCXPQDELCT-ZDUSSCGKSA-N	323.371	3.696	50	20	DHGD	
CSSCCNC(=O)N1CC2(CCC2)c2ccccc21	807225588	CHZUVBDCWIWJDP-UHFFFAOYSA-N	308.472	3.649	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1conc1C1CC1	810464535	DSGHWNICGUKZQC-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CC(=NNC(=O)CC1CC1)[C@@H](C)c1nc2ccccc2s1	814990386	OCRJNAQPWOEDAV-SNVBAGLBSA-N	301.415	3.692	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)Nc2ccc(Cl)cc2)c1	815005191	UGNKVNNGZFJMAR-UHFFFAOYSA-N	317.776	3.894	50	20	DHGD	
O=C(NN=Cc1nc(Cl)cs1)Nc1ccc(Cl)cc1	815005697	QTVSSHFIHDMLLV-UHFFFAOYSA-N	315.185	3.606	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)c(Cl)c1	821777129	UXNBXJWFARTHFL-DOMZBBRYSA-N	310.825	3.543	50	20	DHGD	
CN(NC(=O)Nc1ccc(OCC2CCCCC2)cc1)C1CC1	824149253	PNUCQHMJSPKEKW-UHFFFAOYSA-N	317.433	3.776	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1cccc(Br)c1	827505917	FZRRLSIYZRKPQC-YGRLFVJLSA-N	311.223	3.719	50	20	DHGD	
CC(C)c1ccccc1OCCC(=O)N(C)CC(Cl)Cl	848082374	GSRNNDWCRWQTDJ-UHFFFAOYSA-N	318.244	3.841	50	20	DHGD	
C[C@H](CCCc1cccnc1)NC[C@]1(C)C[C@@H]1Br	852161609	QZNNYZHGGMZRCR-SNPRPXQTSA-N	311.267	3.556	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)NC[C@@H]1CCCC(F)(F)C1	854040210	SZMXNAXKFFRMDC-LLVKDONJSA-N	315.339	3.586	50	20	DHGD	
CCCN(CC1CC1)C(=O)/C(C#N)=C/c1ccc(OCC)cc1	887571878	BSNCLBNGDIHEQG-SFQUDFHCSA-N	312.413	3.641	50	20	DHGD	
CN(N=Cc1ccccc1C(F)(F)F)C(=O)OC(C)(C)C	920381206	MUGXNPOMAKOPGQ-UHFFFAOYSA-N	302.296	3.906	50	20	DHGD	
C#CC[C@H](CO)NCc1cccc(S(F)(F)(F)(F)F)c1	922141401	RYTCTEMDORAVQS-LLVKDONJSA-N	315.307	3.818	50	20	DHGD	
O=C(NCCc1c[nH]c2cc(F)ccc12)C1CCC(Cl)CC1	1263722629	ANBDCDQFXOWPIM-UHFFFAOYSA-N	322.811	3.763	50	20	DHGD	
O=C(CCl)N1CCC(c2ccccc2C(F)(F)F)CC1	1336912695	ZXSZWWDBYPPVLB-UHFFFAOYSA-N	305.727	3.650	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(F)c(C(=O)O)c2)c1C	1777443777	ZIQBHICTXOVGGX-ZSOIEALJSA-N	323.323	3.931	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc(C)c1O	7158254	KFHHZYSHVRISCN-NZBIDNQSSA-N	312.413	3.611	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1	33361040	UPPRNOQASYIWIE-AQTBWJFISA-N	320.392	3.699	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccnc1Cl)c1ccccc1	85682006	QACAIWNUAZCUEF-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2cccc3c2CCCC3)s1	120409241	WHGJPLJJQTVUMI-UHFFFAOYSA-N	315.442	3.902	50	20	DHGD	
CCOc1ccc(SCC(=O)NNc2ccccc2C)cc1	126318756	FIGVIEINAKHXKK-UHFFFAOYSA-N	316.426	3.629	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NNc1cccc(C#N)c1	152639465	MJMNTIYJSFIJJX-UHFFFAOYSA-N	311.410	3.816	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccncc1Cl	154492009	PHZFEGKYYURJRQ-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1c(F)cccc1F	161697234	VADGPCLJNGRZMD-UHFFFAOYSA-N	319.355	3.934	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)C(=O)c2cccc(C)c2C)c1C	171046366	CDNOBINQTPCQMQ-MHWRWJLKSA-N	307.397	3.927	50	20	DHGD	
COc1ccc2cc(/C=C(/C#N)C(=O)NC3CCCC3)ccc2c1	208309983	GVYJUPHOGWPAEO-BOPFTXTBSA-N	320.392	3.814	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(C#N)cs2)cc1	254967225	BSVIJDNNXKLEGA-RIYZIHGNSA-N	307.378	3.728	50	20	DHGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)[C@@H]1CCCOC1	281191619	RIUVFYZTRUDHMP-GKWYLQRDSA-N	309.287	3.608	50	20	DHGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)[C@H]1CCCOC1	281279900	XLBHHGNZYQVNNX-OXBCTQFSSA-N	309.287	3.608	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1ccsc1	365151955	VGDWUWMGIBJTCN-OBHPCNEJSA-N	324.405	3.724	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1cc(Cl)cc(C(F)(F)F)c1	490909341	MUYBDJAMICJYST-FPLPWBNLSA-N	318.682	3.741	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)Cc1ccc(Cl)cc1	729636943	RUQFQZLMLABGAT-UHFFFAOYSA-N	306.818	3.679	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)s1	731159470	RVFLJVPNZWJSMO-KPKJPENVSA-N	311.362	3.829	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)CCc1ccc(F)cc1	731488139	WEDQOASNGNNQHD-UHFFFAOYSA-N	314.360	3.573	50	20	DHGD	
C[C@@H](CC(=O)NNc1cnnc2ccccc12)C1CCCCC1	733811005	YRBYNQGGLWXDRT-ZDUSSCGKSA-N	312.417	3.679	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c[nH]c3ccc(C)cc23)cc1	735611962	GZGQZLJULWRFBT-UHFFFAOYSA-N	305.381	3.803	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2cc(F)c(F)c(F)c2)c1	746704082	SBLIFBUYXDRVSH-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1cccc(Br)c1	748020635	KKXLEUMWYXDAFX-UHFFFAOYSA-N	309.207	3.661	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC(C)(C)C[C@H]2C)cc1OC	748244789	QECJCNJMMXBFSP-GFCCVEGCSA-N	318.417	3.636	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)CCc1cccc(F)c1	748562369	HBOONUVGUILEQB-LBPRGKRZSA-N	318.367	3.985	50	20	DHGD	
O=C(Cc1coc2cc(F)ccc12)NNc1ccc(Cl)cc1	749271073	SNWUOCXDCXAWSY-UHFFFAOYSA-N	318.735	3.911	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C(C)CC2CC2)cc1OC	756824714	WMUOICYNWXXCPH-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1cc2c(s1)CCCC2	764695762	AZQQHUSGVPPUGZ-UHFFFAOYSA-N	302.399	3.682	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)c1cc(-c2cccs2)[nH]n1	764785808	KOFCKSOZPXNYKP-UHFFFAOYSA-N	316.430	3.990	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@H](C)[C@H](C)C2)cc1	767370204	DPZSUQGAIMFCDT-UONOGXRCSA-N	302.418	3.556	50	20	DHGD	
CC(C)(C)c1cnc(NC(=O)NNc2ccccc2F)s1	770049850	YKYXBSGUYDMZLP-UHFFFAOYSA-N	308.382	3.728	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cccc(C(=O)O)c2)ccc1[N+](=O)[O-]	774135432	PWZPNCPUZWDXLC-DHDCSXOGSA-N	308.293	3.666	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cn1	780146906	ITCKUPXBUURTJS-ZROIWOOFSA-N	317.348	3.670	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc3nc[nH]c23)cc1	780804041	ZLQXFXOIRPUBPH-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CSCc1cccc(CNC(=O)NNc2ccc(F)cc2)c1	783013170	CBPHEYRPMOTNTR-UHFFFAOYSA-N	319.405	3.515	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)[C@@H](C)C1	783856535	YLQYJCGTSZCUBF-QWRGUYRKSA-N	316.430	3.680	50	20	DHGD	
CCn1nccc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788329360	UOYSSWRHZACQJW-LCYFTJDESA-N	307.378	3.908	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(-c2cccc(F)c2F)o1	790150298	LEXGEDXFNQREIA-UHFFFAOYSA-N	306.312	3.721	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2cccc(N(C)C)c2)C1	794474313	LENJAFYGRRZDNS-CQSZACIVSA-N	301.434	3.685	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)C1CCOCC1	813102225	PMCXHPNFUPRHPJ-AWEZNQCLSA-N	319.449	3.560	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCCCOC(C)C	813134877	KYUFRHCUNKXBCW-UHFFFAOYSA-N	321.465	3.950	50	20	DHGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)NC1CCCC1	814818838	LITKLFBCLLZRHU-UHFFFAOYSA-N	315.417	3.648	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CC[C@H](Cc3ccccc3)C2)c1	814836773	TWGBGTSPFWUIHB-MRXNPFEDSA-N	317.392	3.687	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)Nc1cc(F)cc(F)c1	815006587	IDLIHEPIFOODCN-UHFFFAOYSA-N	315.732	3.835	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C(F)(F)F)cc1)C1CCC1	827148166	DVIATVCMLFGAPF-UHFFFAOYSA-N	300.324	3.975	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1[C@H]1CCCOC1	828905712	REQPNQYBBMQYOU-JKSUJKDBSA-N	313.558	3.899	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cnn(-c2ccc(OC)cc2)c1	834438322	ODDZSJAGOYDXER-GDNBJRDFSA-N	323.396	3.793	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1cc(OC)cc(OC)c1	834925789	DNYUAMSUQKZQHX-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(C3CC3)n2)c(Cl)c1	836935274	CSVXPEGQHBWQET-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ncnc(Cl)c1C(C)C	840546000	XDVVZOXPZZZKQX-UHFFFAOYSA-N	322.796	3.727	50	20	DHGD	
Cc1cc(/C=C(/C#N)n2c(C(C)C)nc3ccccc32)n(C)n1	841487202	ORVAARDLJJXVII-GDNBJRDFSA-N	305.385	3.723	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc(F)n1)c1ccc(Cl)cc1	854442545	CAZZGGPRVRNYMH-CYBMUJFWSA-N	321.783	3.901	50	20	DHGD	
CC(C)CCN(CCC#N)C[C@@H](CBr)C1CC1	859154640	HLNIHQZWMZVJTF-CQSZACIVSA-N	301.272	3.669	50	20	DHGD	
Cc1ccc(CN(C)/C(=C\C#N)c2cccc([N+](=O)[O-])c2)cc1	916148308	VGOOVCHOKCXKMM-ZDLGFXPLSA-N	307.353	3.900	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=Cc3ccsc3)cc2C1	916353629	RZZYSPSEUACKQK-JTQLQIEISA-N	304.440	3.698	50	20	DHGD	
COc1cc([C@@H](C)NC(=O)CCl)ccc1OCCC(C)C	1319785537	FSOBFWVBKRKAPH-GFCCVEGCSA-N	313.825	3.536	50	20	DHGD	
C=CC[C@H](C(=O)O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	1588728045	BHBGRKACVDOJPZ-UONOGXRCSA-N	313.514	3.502	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(C(F)(F)F)c2)ccc1F	103522394	UGSMZPIOKFXTAI-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2CCCc3ccccc32)ccc1[N+](=O)[O-]	112893790	IYFRNBLRGMOCBW-MRXNPFEDSA-N	311.337	3.929	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc2ccccc2c1O	118516996	LSTQSVAJMUCTDB-UHFFFAOYSA-N	314.291	3.581	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(Cl)c(Cl)n2C)c1	150829291	QTWSJGYENUDQMR-UHFFFAOYSA-N	316.163	3.536	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Cc2ccccc2Cl)c1	151358694	VNXKNVWHOWBAKC-ZDUSSCGKSA-N	302.805	3.970	50	20	DHGD	
C[C@H](CBr)CN[C@@H](C)c1ccc(OC(F)F)cc1	152772710	YJXYTACPVNEVSJ-ZJUUUORDSA-N	322.193	3.970	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NNc1ccccc1Cl	158166679	RYTJFUGUYMJILZ-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
N#C/C(=C/c1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1	179319631	DQPAHAAGMYEZOZ-ZROIWOOFSA-N	307.740	3.757	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccc(C)cc1	182507664	XNCDVUKBGOXEKM-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(F)c(F)c(F)c2F)c1	193352712	ILBRXMKULXGWMI-UHFFFAOYSA-N	312.266	3.617	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	255936995	LHZVLHSAFCQDFC-LDADJPATSA-N	321.424	3.836	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccncc2Cl)cc1	272859600	UIURWTUDXLJOLU-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CCSc1cc(Cl)ccc1C(=O)N1CC=C(C#N)CC1	274097699	VVTRRHTWVRLRQB-UHFFFAOYSA-N	306.818	3.748	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)c(C)c1	280892339	BVGJDSAWEIWGKO-CXUHLZMHSA-N	322.412	3.935	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1c(F)cccc1F)c1ccccc1	731931596	LJPXEVWOXCWSRM-ZDUSSCGKSA-N	302.324	3.609	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-])C(C)(C)C	742545736	DZGBLJVWSJHYFP-VQHVLOKHSA-N	311.769	3.684	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1	748736972	LDLSVORFRZIJHZ-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Cl)ccc1O	749280526	AYIPZAWDKDTMHC-UHFFFAOYSA-N	316.788	3.681	50	20	DHGD	
CCCOc1c(/C=C(/C#N)c2ccncn2)cccc1OCC	758912553	NRVBVIOPLDRKJG-PTNGSMBKSA-N	309.369	3.728	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(F)cc2F)c(Cl)c1	762537959	REXRMVQSIOQWMD-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	769605139	IYHKTKXYGSVXHM-ZJUUUORDSA-N	311.769	3.518	50	20	DHGD	
C[C@H](CBr)COC(=O)c1c[nH]cc1-c1ccccc1	770339749	KUTWIUSNLVEODQ-LLVKDONJSA-N	322.202	3.870	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CC23CCCCC3)cc1	771282219	JUROCXWDKIJYKW-QIPRVMPFSA-N	324.424	3.831	50	20	DHGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1c(F)cccc1Cl	771344564	NYSQWXHEMSXXND-JTQLQIEISA-N	322.771	3.570	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(C(F)(F)F)c2)c1	773144823	NNLXLXOHNHBQAC-WUXMJOGZSA-N	322.261	3.973	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1nc2ccccc2cc1C	777482011	RHSPRQUFCHUNNW-LBPRGKRZSA-N	303.431	3.518	50	20	DHGD	
COc1ccc2nc(NNC(=O)[C@@H](C)C(C)(C)C)c(C)cc2c1	778480662	ITLUUBKPOGHSGR-GFCCVEGCSA-N	315.417	3.677	50	20	DHGD	
CC(C)(C)[C@H]1CCC[C@@H](NC(=O)NNC(=O)C2CCCC2)CC1	780718919	AOZBWFFBAFRHRS-LSDHHAIUSA-N	323.481	3.502	50	20	DHGD	
C[C@@H]1C(=NNC(=O)c2cc(-c3cccs3)[nH]n2)CCC[C@H]1C	781125764	STBFDPDIJVDEOC-MNOVXSKESA-N	316.430	3.680	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCc2ccc(O)c(F)c2)c1	787134855	HBBOZDJDIVXJID-UHFFFAOYSA-N	316.376	3.614	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cccc2cc[nH]c12	787366490	KTMGMUZPYGQFIC-ZDUSSCGKSA-N	323.234	3.594	50	20	DHGD	
CSCc1ccc(NC(=O)NCCSSC)cc1	794154946	HOVPMWHSCNAQMD-UHFFFAOYSA-N	302.490	3.682	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794873195	QLOXGBANSYAGMZ-RAXLEYEMSA-N	321.311	3.703	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(Cl)cc1F	795373347	JEPWYKFLYYPODC-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](F)CC1CCCCC1	796206713	ROOKGGNWSQFTAK-ZYHUDNBSSA-N	309.219	3.869	50	20	DHGD	
O=C1N=C(N2CCCCC2)S/C1=C/c1cccc(CCl)c1	799890271	FUOYWCBATYJARE-GXDHUFHOSA-N	320.845	3.882	50	20	DHGD	
COC(=O)c1coc(C(=O)/C=C/c2cccc(CCl)c2)c1	799893879	XGCWWHPYVFLXES-AATRIKPKSA-N	304.729	3.701	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1cc(Cl)ccc1Cl	800521157	WGBMGXBUJDCJID-UHFFFAOYSA-N	307.246	3.826	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1ccc2c3c(cccc13)CC2	806177792	KDBRUZNZKSVPHS-UHFFFAOYSA-N	322.343	3.621	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(C)c(Cc2c(F)cccc2F)s1	806553044	FPRQNPBMIDHPIZ-FLIBITNWSA-N	305.353	3.534	50	20	DHGD	
C[C@H](c1ccccc1)[C@@H](CO)NCCO[Si](C)(C)C(C)(C)C	808747474	NPYXEIUGXJENDA-NVXWUHKLSA-N	323.553	3.762	50	20	DHGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)c1ccc([N+](=O)[O-])cn1	812245097	NLXLRCBNHHYUIQ-XFFZJAGNSA-N	309.256	3.939	50	20	DHGD	
CC1(C)CC(=NNC(=O)Cc2nc(-c3ccccc3)cs2)C1	814786138	WGYULIFHNHFRBC-UHFFFAOYSA-N	313.426	3.645	50	20	DHGD	
CO[C@@H](C1CC1)[C@H](C)NC(=O)NNc1c(C)cccc1C(C)C	838699679	ANWMIMQDUGJOQP-SUMWQHHRSA-N	319.449	3.558	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1C#N	843779416	RMNRXYBAIKSLPZ-CYBMUJFWSA-N	318.421	3.885	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)C(C)(C)C)c(C(F)(F)F)c1	857265039	BRIDNZJKLPFJCI-VIFPVBQESA-N	318.339	3.839	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NC[C@]2(C)C[C@@H]2Br)c1	857393895	JHASIHLNDOFOAN-HOCLYGCPSA-N	324.262	3.526	50	20	DHGD	
CCCO[C@H]1CCCN(C[C@H](CBr)C2CC2)CC1	859135607	XJQIVLCSZUOUGH-GJZGRUSLSA-N	318.299	3.689	50	20	DHGD	
Cc1cccc(NNC(=O)Nc2ccccc2OCC(C)C)n1	860488785	RCQNSFOFOTVWRY-UHFFFAOYSA-N	314.389	3.573	50	20	DHGD	
CCC[C@@H](C(=O)NN[C@@H](C)C(F)(F)F)c1ccc(Cl)cc1	862322290	JXAZCHBDYFIWOB-JOYOIKCWSA-N	322.758	3.795	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1cnc(C)s1	876015302	XWAVIAIQNKCNRF-NSHDSACASA-N	318.446	3.710	50	20	DHGD	
CC(C)(C#N)C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891544724	DBWJETGWAFZJEO-ZDUSSCGKSA-N	310.514	3.549	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)[C@@H](C)Oc1ccccc1F	915949195	DOUMLHRGGZIFLH-CHWSQXEVSA-N	308.397	3.911	50	20	DHGD	
C[C@H](OC1CCCCC1)C(=O)NNc1cccc2c1CCCC2	1340925717	XZXBUFPZVVXHDS-AWEZNQCLSA-N	316.445	3.746	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc2cc[nH]c12	79440050	DIWOMGSGARKJEW-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)C1CCCCCC1	131847084	QBIFKCVNSFUGJG-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
C[C@@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccsc1	132780668	YPWLADNSQUFFBD-SSDOTTSWSA-N	316.213	3.697	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155685655	UQEINJROKMEVDO-UHFFFAOYSA-N	323.396	3.740	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc(C(F)(F)F)n1)C(C)C	163102967	PCKDPTHRQZEHHZ-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
O=C(NNc1ccccc1Br)Nc1cccc(F)c1	170703471	QZWBCNHKBAEYBB-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2ncsc2c1	181151001	GDPYCLMRYOSHAO-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC2CCSCC2)cc1	181543384	LLTPYWLNQFGQAF-UHFFFAOYSA-N	307.463	3.506	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	213899823	NLNMVZBTIHRDSC-KAMYIIQDSA-N	310.328	3.770	50	20	DHGD	
O=C(/C=C\c1cccs1)NNc1ccccc1C(F)(F)F	255088166	CHMRNQOXBJJPKG-FPLPWBNLSA-N	312.316	3.923	50	20	DHGD	
N#C/C(=C/c1cnc2ccccn12)C(=O)c1c[nH]c2ccccc12	255907978	CECMDXSYZKRHKN-LCYFTJDESA-N	312.332	3.605	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1ncc(C)s1	282533840	WMKGOFCUOYGPCG-GFCCVEGCSA-N	318.446	3.710	50	20	DHGD	
CCCCCCOc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	301492122	AFUJJVAFZBEUAJ-VBKFSLOCSA-N	307.415	3.555	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C/c1ccsc1	492328932	JPRCKOZYHHKRIG-VOTSOKGWSA-N	309.394	3.761	50	20	DHGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)CNc1ccccc1	727253730	HIYMXRWTRNHSRY-HNNXBMFYSA-N	301.434	3.807	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)c1C	728286928	LLVJGTQWSJNPOX-LICLKQGHSA-N	308.381	3.923	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)[C@@H](CC)c1ccccc1	731997621	RFNICEFUPBGZFT-INIZCTEOSA-N	304.434	3.688	50	20	DHGD	
CC(=O)NN=C(CCc1ccccc1Cl)c1ccccc1	735609118	ODTJTSSRANLCLN-UHFFFAOYSA-N	300.789	3.813	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OC[C@H]2C[C@H]3CC[C@H]2C3)cc1	747568003	RGFXSHGXIWBKEF-DOGZELLCSA-N	311.381	3.582	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1)c1ccc(Cl)cc1F	747643867	SJAKOGRHKZLUFT-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(C)cc1)C1CCCCC1	750923847	XAHGFPSGVNDLCD-UHFFFAOYSA-N	302.418	3.836	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1Cl)NC1CCCC1	753698639	VTTSJZZHMNZENU-UHFFFAOYSA-N	300.189	3.569	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@H]1C[C@@H]1c1ccccc1	755697479	JIZQAGGHUNDYAR-RTBURBONSA-N	306.409	3.915	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NN(C)c1ccccc1	756745391	NUONNDLUAILUGI-CYBMUJFWSA-N	302.805	3.686	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(Oc2cccc(F)c2)cc1	766286798	BRAHZIDCTAQRQS-PTNGSMBKSA-N	322.339	3.827	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768495459	IYMKYCZCPPFJEQ-GFCCVEGCSA-N	308.385	3.833	50	20	DHGD	
C[C@H](CBr)CN1C[C@H](C(F)(F)F)CC[C@H]1C	770669413	WCVTUXGZXAUSAO-OPRDCNLKSA-N	302.178	3.680	50	20	DHGD	
C[C@H]1CC[C@@H](NC(=O)NNc2cc(C(F)(F)F)ccc2F)C1	780798712	YQVABQZYTFUUEP-WCBMZHEXSA-N	319.302	3.659	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1C=NNC(=O)C1CCC1	781127600	ORYBDAUEBWLLGI-UHFFFAOYSA-N	308.381	3.612	50	20	DHGD	
O=C(NN=Cc1scnc1C1CC1)c1ccc(Cl)cc1F	782241746	BAZCDCDFFTVOKT-UHFFFAOYSA-N	323.780	3.577	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1csc(-c2ccsc2)n1	786680862	OQUODHAVSVSGJO-XGICHPGQSA-N	316.407	3.775	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790585746	XUKHCNFXVUVBDF-UHFFFAOYSA-N	323.349	3.676	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790590486	BJNPQDSCUSAZGK-LLVKDONJSA-N	311.357	3.784	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2ncccc2C)cc1C	791218641	CJGFYLRIPRDGTL-UHFFFAOYSA-N	315.442	3.632	50	20	DHGD	
C=Cc1ccc(CCNC(=O)[C@@H](Br)C(C)(C)C)cc1	794385682	TVBCOQUGPIMUES-CQSZACIVSA-N	324.262	3.798	50	20	DHGD	
C=C(CBr)COC(=O)CCc1cccc(Cl)c1	795410904	OUHVXVGDKSGBQL-UHFFFAOYSA-N	317.610	3.767	50	20	DHGD	
C=C(CBr)COC(=O)C[C@H](C)c1ccc(F)cc1	795512156	MFUQPSLHQKYLBM-NSHDSACASA-N	315.182	3.814	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	802820811	FCERVEPBFFEHDF-VBNZEHGJSA-N	317.389	3.644	50	20	DHGD	
C[C@@H]1CN(Cc2ccc(OCCCCl)cc2)C[C@@H](C2CC2)O1	811498372	STPUHVFCBRKXSE-KDOFPFPSSA-N	323.864	3.694	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1csc(-c2ccccc2F)n1	812226730	IWUIHOVHUVBVQR-UHFFFAOYSA-N	319.405	3.836	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C2CCS[C@H]2C)cc1	814736679	SRXBALIPDSOXQT-ZDUSSCGKSA-N	320.458	3.723	50	20	DHGD	
C[C@@H]1SCCC1=NNC(=O)c1c(Cl)cccc1Cl	814833510	KYGPNNUOVNJABK-ZETCQYMHSA-N	303.214	3.605	50	20	DHGD	
Cc1ncccc1C=NNC(=O)Nc1ccc(Cl)cc1Cl	814996406	OLDGZMPGYRXAKV-UHFFFAOYSA-N	323.183	3.852	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1scnc1C	815003437	USCOVLXQDZRWLH-UHFFFAOYSA-N	308.794	3.651	50	20	DHGD	
Cc1cncc(CCC(=O)NNc2c(Cl)cccc2Cl)c1	815817739	HBOWMXQHMUZNKD-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
Cc1nc(-c2cccc(Cl)c2)sc1C(=O)NN(C)C1CC1	819643118	XYSXZMFQUHHHBW-UHFFFAOYSA-N	321.833	3.511	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747111	KTBOGBWVFGDUTR-RKDXNWHRSA-N	302.205	3.658	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCC[C@H](O)c2ccccc2)c1	830791743	MOCZOPXHGRPHLI-SFHVURJKSA-N	312.413	3.650	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(C)cc2Cl)CCO1	836935812	BMGWZRQBZZPSOG-QWHCGFSZSA-N	310.825	3.687	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccc3c2CCC3)n1	844275670	ZLULDWZTRIYURK-NTEUORMPSA-N	324.405	3.873	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccnn2CC2CC2)c1	849178219	GISMMVMLNFXVMI-LICLKQGHSA-N	305.381	3.700	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc([N+](=O)[O-])nc2)C1	853897920	VXUCOBOEZLIZPJ-CYBMUJFWSA-N	323.469	3.590	50	20	DHGD	
CCc1cccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)c1	856811930	PJQCGGQEKCGIMY-JSGCOSHPSA-N	311.223	3.544	50	20	DHGD	
CCC(CC)N(C(=O)NC[C@@]1(C)C[C@H]1Br)C1CC1	856954649	IGGAHAXZSQCTOH-TZMCWYRMSA-N	317.271	3.523	50	20	DHGD	
Cc1nccnc1CN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	878707363	SVUXHPSODUCGGD-HNNXBMFYSA-N	321.541	3.771	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C)cnc2Cl)c(C)c1	879016090	GRJITOMUVZYJDO-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
CCSc1cccc(F)c1NC(=O)NCC(Cl)Cl	879611377	HMRSIOVVEXPVOM-UHFFFAOYSA-N	311.209	3.863	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)cc2C)C1	928337037	ICFYBOJVTWHMFL-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
O=C(CCl)Nc1ccc(OCc2cccc(F)c2)c(F)c1	1116437651	LVAXBIFFQLVJDK-UHFFFAOYSA-N	311.715	3.721	50	20	DHGD	
Cc1ccc([C@H]2COCCN2C(=O)c2cccc(CCl)c2)o1	1337144226	YWCQGSHIRAKOAA-OAHLLOKOSA-N	319.788	3.541	50	20	DHGD	
CC(C)c1nc(CNC[C@@]2(C)C[C@@H]2Br)cs1	1347920210	SGCJSFGVHARSSK-CMPLNLGQSA-N	303.269	3.530	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1csc(Br)c1	71858394	XRHOMDPDMGSCOD-YHYXMXQVSA-N	314.204	3.761	50	20	DHGD	
O=C(CC1=CCCCC1)NNC(=S)Nc1cccc(Cl)c1	106928919	ZMPKZCLKLHTZFC-UHFFFAOYSA-N	323.849	3.548	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cccc(C)c2Cl)c1	123678717	NAOLQGMAXUEMPP-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1	125328127	BWKMVRCOBNVGBR-UKTHLTGXSA-N	306.793	3.562	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1cccc(Cl)c1	126176823	KGNSBSUGQIMGCJ-UHFFFAOYSA-N	306.753	3.662	50	20	DHGD	
CSc1ccc(C(=O)/C=C/c2cnn(CCCl)c2)cc1F	132719700	LICGMZPMWHLQFQ-DUXPYHPUSA-N	324.808	3.879	50	20	DHGD	
Cc1cccc(C(=O)NNc2cccc(F)c2)c1Br	152652342	JOOUFZSYBYOLLC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1	153156589	FZQWGIXNMVLIPJ-ZJUUUORDSA-N	304.287	3.638	50	20	DHGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)NC1CCCCC1	155147691	MALQIMVYPWTPJN-UKTHLTGXSA-N	315.442	3.766	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)[C@H](C)CC)cc1	171970051	AGDXOSACMYTUEY-JKSCSLPYSA-N	300.402	3.543	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCO1	175628441	FYRDSBHNUULMNB-CQSZACIVSA-N	304.415	3.502	50	20	DHGD	
COc1ccc(CN(C)/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)cc1	176981805	YRJOQOIWRVZJRU-WOJGMQOQSA-N	323.352	3.600	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(C)c(Br)c2)c1	177395440	QYVCOAYKPUMGNW-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	178960061	ALLJHECLEXYCAN-UESPBHMZSA-N	312.369	3.786	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2nn(-c3ccccc3)cc2C)c1	186216388	NBFTZPWPBVDLCM-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc2scnc2c1	186892348	QWEBSUWNWTZXGU-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccc(C#N)cc1	196698404	RONYJTUWKCCHRJ-MFKMUULPSA-N	323.234	3.545	50	20	DHGD	
Nc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cc1	238121599	GGWWVOYOHMOWND-OAHLLOKOSA-N	324.515	3.642	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1c(Cl)cccc1Cl	252632026	VOQABBMAQZSQDD-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)ccc1C(C)C)c1ccco1	254883460	HCYHKWLQZXDKLC-UHFFFAOYSA-N	314.385	3.631	50	20	DHGD	
CSc1ccc(C)c(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	490979384	YLLCZGVKVBFITA-ZROIWOOFSA-N	324.405	3.968	50	20	DHGD	
CCCN(N=C1CCc2cccnc2CC1)C(=O)OC(C)(C)C	496886888	VIDPMXVOOTUTBM-UHFFFAOYSA-N	317.433	3.964	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)CCCc1ccccc1)CC(C)(C)C	727714981	AZFRIAUYJFTFAA-HNNXBMFYSA-N	318.461	3.619	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	730150564	BEVHATXYQJMDNB-ATVHPVEESA-N	314.429	3.935	50	20	DHGD	
Cn1cccc1C=NNC(=O)Nc1ccc(-c2ccccc2)cc1	741766611	YBFQEWUDWUHJNS-UHFFFAOYSA-N	318.380	3.848	50	20	DHGD	
Cc1ccoc1C=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	743428970	UDGCWDJOXGXMCA-SNVBAGLBSA-N	302.399	3.538	50	20	DHGD	
CCC(CC)c1cc(CNC(=O)NNc2ccc(F)cc2)on1	745865953	FESLPVPKPLEMMB-UHFFFAOYSA-N	320.368	3.544	50	20	DHGD	
CC(C)(C)c1ccc(CNC(=O)NNc2cccc(C#N)c2)cc1	746963603	IRRHUYTWHYOSFR-UHFFFAOYSA-N	322.412	3.682	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCn2cnc3ccccc32)c1	748414842	WVTRBKVPIPYZFM-UHFFFAOYSA-N	322.412	3.577	50	20	DHGD	
CCOc1ccccc1C(C)=NNC(=O)CCc1ccccc1	749744732	IDYKKDRFTGXSIJ-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2c(F)cccc2F)cc1	750242068	NRHVHAYYYZOSIB-LLVKDONJSA-N	320.339	3.899	50	20	DHGD	
CC(C)CCNC(=O)NNc1cc(C(F)(F)F)ccc1F	754507595	LSHFYPVDARHLHN-UHFFFAOYSA-N	307.291	3.517	50	20	DHGD	
C[C@@H]1CC[C@@H](COC(=O)CCCC[C@H]2CCSS2)O1	762175245	RJQSAARGOGTAQW-AGIUHOORSA-N	304.477	3.811	50	20	DHGD	
CC1(C)CCCC1=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764810626	UFSZUQMQBWBIBU-UHFFFAOYSA-N	314.364	3.512	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@@H](C)[C@@H](C)C2)cc1	767370202	DPZSUQGAIMFCDT-KGLIPLIRSA-N	302.418	3.556	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2c(F)cccc2Cl)c1	770190673	KNTBMHMPUCBENA-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC(C)(C)[C@@H](NC(=O)NNc1ccccc1Cl)C(F)(F)F	775978623	HJJIXUCULPTMAD-SNVBAGLBSA-N	323.746	3.943	50	20	DHGD	
O=C(NN=Cc1scnc1C1CC1)c1cc2ccccc2o1	782241697	ABRNRQYVZJOBLS-UHFFFAOYSA-N	311.366	3.531	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1sc(C)nc1C	799403479	CMBNZKZQLXWONJ-UHFFFAOYSA-N	304.419	3.779	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1nccnc1C1CCC1	805474988	JBNHFYNZHZADAW-ZDUSSCGKSA-N	304.438	3.794	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1C	806573363	IPCFIOKCXVJORE-JXCQQFQQSA-N	301.386	3.925	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCSc1ccc(F)cc1	808249047	WCYQQUAAFUOCNV-UHFFFAOYSA-N	310.221	3.570	50	20	DHGD	
COc1ccc(NNC(=O)/C(C)=C\c2ccccc2Cl)cc1	810345805	RFOQXECOBUJQSF-QXMHVHEDSA-N	316.788	3.895	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccccc1O	815003496	XELPZIWZNWHPEI-UHFFFAOYSA-N	303.749	3.591	50	20	DHGD	
CCOc1ccc(NNC(=O)c2sccc2C2CC2)cc1	817889822	MVYGQBLTGRVHDM-UHFFFAOYSA-N	302.399	3.781	50	20	DHGD	
CCOc1ccc(NNC(=O)CCn2ccc3ccccc32)cc1	817925656	KRZQSBKGTIQCNS-UHFFFAOYSA-N	323.396	3.573	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1	830096714	IUMUTSFEJLEVIV-IUODEOHRSA-N	310.825	3.543	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)C(C)(C)F	840735242	OFRFJBJZWGNBQT-LUAWRHEFSA-N	305.736	3.576	50	20	DHGD	
CCO[C@H](CC)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379388	ORIHNMUGVBEPAG-LLVKDONJSA-N	324.730	3.617	50	20	DHGD	
CC[C@@H](NC(=O)NNc1cc(F)ccc1C)c1nc(C)cs1	853688256	KNRMCIXQLOWJPU-GFCCVEGCSA-N	322.409	3.676	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618591	LDUKWXITFKQSJL-QMTHXVAHSA-N	314.788	3.518	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(O)cc1Cl	865220862	RWNGHLJDSMURRW-GWHHBTOMSA-N	307.777	3.966	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cncn2CC)cc1	901426288	FUMLEVUSBKAGEE-DWKHYPNZSA-N	322.412	3.962	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cncn2CC)cc1	901426293	FUMLEVUSBKAGEE-KNGSKEOJSA-N	322.412	3.962	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc2ncccc2c1	915971210	IWTYUWORUQUBTI-UHFFFAOYSA-N	304.353	3.699	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)cc1Cl	1320250098	UXFUYEZHQCRBDY-XJKSGUPXSA-N	324.852	3.933	50	20	DHGD	
CSc1ccccc1C(C)=NNC(=O)c1ccc(Cl)nc1	1321350712	RXFSPHLERRNSSN-UHFFFAOYSA-N	319.817	3.611	50	20	DHGD	
Cc1nn(CCCl)c(C)c1-c1nnc(CC2CCCC2)o1	1327907421	POUZXQYEXGIWIY-UHFFFAOYSA-N	308.813	3.521	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1csc2ccccc12	1334089447	MSVDIGZJXDSZRG-ZGSOTFDTSA-N	300.383	3.522	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cnc(C2CC2)s1	1335606565	ZCAQGCVTFZYXME-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CCN(C(=O)CCl)[C@@H](c1ccc(Cl)cc1)c1cccnc1	1336909862	HMRFOTMULAXGGB-INIZCTEOSA-N	323.223	3.912	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C2CCC(CC2)[C@H]1C(F)(F)F	1552140572	JRSVXSNMNDCYNB-CPTYRYLOSA-N	318.166	3.521	50	20	DHGD	
CCc1oc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)O	1597790751	DZZVEFFKQFEACU-XFFZJAGNSA-N	321.336	3.789	50	20	DHGD	
CSc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1	6410468	WURMLQMIMUNYRY-LFIBNONCSA-N	308.406	3.632	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(Cl)c2cccnc12	45892706	ZBFIQBLIVYSIKR-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1[nH]c2c(C(=O)NNc3ncccc3Cl)cccc2c1C	114885276	GYYYFWKNXDQPKU-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)cc1	127362682	CKPKRKZRPNETSU-UVTDQMKNSA-N	322.412	3.815	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(COC)cc2)cc1	132465792	WRISGTVCFZQJAQ-PDGQHHTCSA-N	320.392	3.941	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(Cl)c[nH]1	133307396	UDHPXUPATMOSNV-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)cc1OC(F)F	211400124	QMNUQGBFTAHGBX-XFFZJAGNSA-N	309.312	3.819	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(-n3c(C)ccc3C)cc2)o1	254625856	DUZFUENNAVLZIL-UHFFFAOYSA-N	321.380	3.759	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccccc1	255060300	KEXFXFQVFHQJOR-HNDQUVLASA-N	307.397	3.999	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1ccccc1C(F)(F)F	282503809	JUPOBKPCNFHDHB-UHFFFAOYSA-N	306.353	3.538	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1cccc(C2CCC2)c1	292162864	XVZRVZDQYGIHQD-UHFFFAOYSA-N	305.378	3.515	50	20	DHGD	
CCCN(N=C1CC[C@H](C(=O)O)C[C@@H]1C)C(=O)OC(C)(C)C	495792322	FQTTZYPJIVCJRC-RYUDHWBXSA-N	312.410	3.510	50	20	DHGD	
CC(C)c1nccn1CC(=O)/C(C#N)=C1\Nc2ccccc2S1	588410539	RWPVPUOXQCPDJL-SFQUDFHCSA-N	324.409	3.529	50	20	DHGD	
CC[C@H](NC(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCCC1	726268573	MADZLUWFDFGYEI-HNNXBMFYSA-N	320.393	3.580	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OC	726428875	PURSBCBVDMFGEF-VPMLRQHESA-N	322.202	3.980	50	20	DHGD	
CC(C)C[C@@H](C#N)NC(=O)CCCC[C@H]1CCSS1	726559717	NRPJCUVDTWEDHO-STQMWFEESA-N	300.493	3.755	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1csc(-c2cccs2)n1	728429523	IURASBUZISFHHG-UHFFFAOYSA-N	319.455	3.902	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(F)cc1O)c1ccccc1	731930688	HYYORQIGVOPOJV-OAHLLOKOSA-N	314.360	3.565	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cccc2cccnc12)c1ccccc1	731931960	VCLAXKZOTGDAQD-SFHVURJKSA-N	317.392	3.879	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(Oc2ccc(C)cn2)cc1	733249016	ALKLSRSVZWNCAW-WYMLVPIESA-N	323.352	3.565	50	20	DHGD	
Cc1ccsc1C(Cc1ccccc1)=NNC(=O)C1CCC1	735971661	QCPVTZYXRLLTNE-UHFFFAOYSA-N	312.438	3.920	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(O)cc1	741465519	NRHCWBSTIFPETI-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNC(=O)c1cccc2ccccc12	741575727	DOGNGFVEFWQSSQ-AWEZNQCLSA-N	324.424	3.817	50	20	DHGD	
CC(C)C(Cc1ccc(F)cc1)=NNC(=O)c1ccc(O)cc1	743420984	VLWCJSHDEOIQPO-UHFFFAOYSA-N	314.360	3.516	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2ccc(OC)cc2)cc1	746886878	NJPBBEXWPISZJR-CQSZACIVSA-N	312.413	3.895	50	20	DHGD	
C[C@H](C=NNC(=O)C1CCCC1)c1cccc(Br)c1	747633885	YPHNZEVTWCEWBC-LLVKDONJSA-N	323.234	3.845	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc(C#N)c(Cl)c1	753317937	XNTXXYRNINNJAI-LLVKDONJSA-N	305.809	3.871	50	20	DHGD	
CCC(=NNC(=O)c1cc(-c2ccc(CC)cc2)[nH]n1)C1CC1	764787951	SNCKHSHUFHDPPF-UHFFFAOYSA-N	310.401	3.545	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC(c2nc3ccccc3[nH]2)C1	766942545	YRPFGBAWDYQJPM-ZDLGFXPLSA-N	300.365	3.527	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](c1ccccc1)C1CC1	771294212	BLVYTRCWXOAMOS-KRWDZBQOSA-N	313.376	3.912	50	20	DHGD	
COc1cc(C=NNC(=O)c2cccc3ccccc23)ccc1C	773058281	MJWBGQZQHNLPTK-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
C/C(=C/C(=O)NNc1ncc(Cl)cc1Cl)C(C)(C)C	775271450	LBRIGBHZFIGRIT-YVMONPNESA-N	302.205	3.824	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777872545	WGIRRJQUQIIBOM-UVTDQMKNSA-N	322.355	3.810	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2cccc(Br)c2)[C@@H]1C	781126386	GICDAFGIBSEWKC-GHMZBOCLSA-N	323.234	3.991	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(C)n1C	791718144	NMJQJSLOBZMQPP-UHFFFAOYSA-N	312.200	3.706	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1ncccc1Cl	792329011	YYPAJDAIKPSYCB-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
Cc1ccccc1CC(=O)NN=C[C@H](OC(C)C)c1ccccc1	793024542	IUPZDLKCPOEZDC-IBGZPJMESA-N	324.424	3.806	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)[C@@H](C)c1ccc(Cl)cc1	794451729	BNOCRIIRBSEWSZ-LLVKDONJSA-N	301.777	3.644	50	20	DHGD	
CN(N=C1CCCCc2cc(C#N)ccc21)C(=O)OC(C)(C)C	794856694	JXGNXWTYEYKPCA-UHFFFAOYSA-N	313.401	3.856	50	20	DHGD	
Cc1ccc2c(C(=O)NNC(=O)c3ccccc3C)csc2c1	794897962	BUFQGLOTXLROKR-UHFFFAOYSA-N	324.405	3.593	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@@H]1C[C@H]1c1cccc2ccccc12	804768191	RDMMMFQFJXUCEG-JKSUJKDBSA-N	321.355	3.621	50	20	DHGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NN(C)c1ccccc1	806343914	BEMXYJSECNVMFN-HNNXBMFYSA-N	319.408	3.581	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1c(F)cccc1Cl	809158422	AHQSJDMZIXMSQI-SNAWJCMRSA-N	313.159	3.811	50	20	DHGD	
O=C(Cc1cccc(Cl)c1F)NNc1ccccc1Cl	810682627	HTEKKJMSKXMOJD-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@H](C)C2CCCCC2)cc1OC	814700589	XXLOLCVRDHACHR-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C)c(Cl)c2F)cc1	817925594	JIAYKHQETGGOQO-UHFFFAOYSA-N	322.767	3.943	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	822170191	GOHUIPGGCXGHEI-HUUCEWRRSA-N	318.417	3.516	50	20	DHGD	
N#C[C@]1(C(=O)NNc2ccccc2C(F)(F)F)CC12CCCC2	822362724	CGIVDAFMVKHSIT-HNNXBMFYSA-N	323.318	3.623	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1nc2ccccc2[nH]1	827967974	WRRRUROOPXFFFI-UHFFFAOYSA-N	312.373	3.519	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2nnc(C3CC3)s2)c(Cl)c1	836205826	SYPXIUHNFNGHEX-UHFFFAOYSA-N	323.809	3.526	50	20	DHGD	
CCC[C@@H](NC(=O)NNC(=O)Nc1ccccc1C)C(C)(C)C	836577640	ZUAYBVVIGUUAES-CQSZACIVSA-N	320.437	3.546	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H](C)C1CCC1	837488629	LGFPLQRKFNUCOD-SNVBAGLBSA-N	311.223	3.637	50	20	DHGD	
Cc1ccnc(CNC(=O)NNc2c(C)cccc2C(C)C)c1	838619721	MTRCBVSKQADEBK-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)o1	843271443	BZZMMKNSFZTTCA-YRNVUSSQSA-N	314.366	3.854	50	20	DHGD	
CNc1ccc(NC(=O)CCCC[C@H]2CCSS2)cn1	843483288	SNJJGFOKIPGATH-LBPRGKRZSA-N	311.476	3.776	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1[nH]c2ccccc2c1Cl	848081065	KOFWQJUQWJIBDA-UHFFFAOYSA-N	305.592	3.697	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Cc1nc(C(C)C)c(C)s1	855370017	KMNBEIRAYYZHLS-UHFFFAOYSA-N	321.421	3.708	50	20	DHGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)C(=O)c1ccc(F)cc1	899343412	WMKBDBLEHSIZTO-PXNMLYILSA-N	309.344	3.612	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	912779148	PTJXPRJMAARNES-BENRWUELSA-N	314.385	3.987	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1ccc2c(c1)CCCC2	915918120	XUXRQDZGROQRCH-UHFFFAOYSA-N	321.424	3.518	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1sc2nc(C)nc(C)c2c1C	915976932	LTKKDBQTNDZGFP-MRVPVSSYSA-N	318.446	3.503	50	20	DHGD	
COc1ccccc1CC(C)=NNC(=O)c1cccc(Cl)c1	916279031	KJUUBYWPEFEYJA-UHFFFAOYSA-N	316.788	3.697	50	20	DHGD	
O=c1[nH]c(CCCl)nc2cc(-c3ccc(F)cc3)sc12	917265019	QOJDFUHZGPNOQQ-UHFFFAOYSA-N	308.765	3.572	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)NC[C@@H](C)c1nccs1	921954211	WPOZFBWBGIDRND-SNVBAGLBSA-N	324.837	3.535	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)NNc1ccccc1Cl	1320377579	ZRVSBVAFYWDKKL-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2cccnc2)cc1Cl	1328465823	PRDPCJKNCOUOHB-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
C[C@@H](CN(C)C(=O)c1cccc(CCl)c1)c1nccs1	1358128295	QIIJLQHKCIYQIR-NSHDSACASA-N	308.834	3.758	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2C)cc(Cl)c1O	17475707	XTYLDDXRLAIVTC-VZUCSPMQSA-N	317.728	3.746	50	20	DHGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3ccc(F)cc3)cnc12	125322126	CMENWVUPFLZNTM-ZROIWOOFSA-N	305.312	3.572	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155340883	NRBZNYGTJBYUKO-UHFFFAOYSA-N	311.410	3.568	50	20	DHGD	
CCN(C[C@H](O)c1ccc(C)cc1)/C(=C/C#N)c1ccccc1	159972824	GCXDOZVLAMZTAA-ACSPXDACSA-N	306.409	3.915	50	20	DHGD	
CC(C)(C)Oc1ccccc1NC(=O)NNc1ccc(C#N)cc1	160403469	LEKXTEUESCDVBR-UHFFFAOYSA-N	324.384	3.884	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cc(F)c(F)cc2F)CCC1	178538149	ZMKNGVPJLYLZKL-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	193801437	KGJLEUULLZAMSQ-RAXLEYEMSA-N	308.328	3.501	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@H](c1ccccc1)C(F)(F)F	276710802	KDRXGSADPBTXER-CYBMUJFWSA-N	323.318	3.569	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCCc2cccnc21	281774512	MMORMJDBEGQNIU-INIZCTEOSA-N	309.413	3.516	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(CN3CCCCC3)cc2)cc1	298100675	RFALLAWPCJBYHW-UHFFFAOYSA-N	323.440	3.738	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1F	303501202	YPWMRKHCHZIEIT-XNTDXEJSSA-N	300.377	3.832	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1scnc1C1CC1)c1ccccc1	491051652	TUSGVTKFJOLQLP-CDCQXCROSA-N	323.421	3.805	50	20	DHGD	
C[C@@H](CBr)CN(C)Cc1ccc(F)c(Cl)c1	708322004	UMIOBLUBWWWKAF-VIFPVBQESA-N	308.622	3.942	50	20	DHGD	
Cc1ccccc1C(C)(C)CNC(=O)NN(C)c1ccccc1	725869283	CQRVHWQYWBKWLO-UHFFFAOYSA-N	311.429	3.623	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(OC)c1	726119495	ZPJOQLNMWPVYGY-DHDCSXOGSA-N	323.396	3.998	50	20	DHGD	
CCCC(=NNC(=O)c1ccnc(N(C)C)c1)C1CCCCC1	731560936	GMWOCHUZLOIVQS-UHFFFAOYSA-N	316.449	3.614	50	20	DHGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)CC1CCCC1)c1ccccc1	735116076	ZAAXGSBTRHTMJH-KBXCAEBGSA-N	316.445	3.544	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](CC(C)C)c1ccc(Cl)cc1	741648929	RCVWWBNSCNRSEW-QBOMHBFWSA-N	320.820	3.987	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1cccc(C)c1	744772835	CNBFHHBYTGLHSY-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)C1CCCCC1	752462016	FNJOLMUDZHBRMT-KWWJGWKXSA-N	300.377	3.818	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2(C(C)C)CC2)cc1	753322596	YAKLSJZYPFBIHO-WJDWOHSUSA-N	312.413	3.545	50	20	DHGD	
COc1cc(Cl)c(C=NNC(=O)CC(C)(C)C)cc1Cl	753922418	UFILUXQWGRBNDR-UHFFFAOYSA-N	317.216	3.888	50	20	DHGD	
CC[C@@H]1CC(=NNC(=O)c2ccc(Cl)cc2Cl)CCO1	756822903	CKGYSNSQZVLWES-LLVKDONJSA-N	315.200	3.668	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H](c1ccccc1)C1CC1	765873379	BRDKWKRNBBGCPB-OAHLLOKOSA-N	302.324	3.602	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cc(F)cc(F)c1	767011983	IOQZAHURCMRAMK-SNVBAGLBSA-N	306.150	3.713	50	20	DHGD	
CCc1cccnc1C(=O)NNc1ccc(Cl)cc1Cl	767084042	JKUVWCOSYLPABZ-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@@H](C)[C@@H](C)C2)o1	767379609	KMNPTQYVRHDSFO-KGLIPLIRSA-N	319.449	3.663	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc(F)c(Cl)c1	768064685	PJYHJMMOIKUIGB-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2c(C)cc(C)cc2C)cc1C	773492486	JBEVZCAWXITICV-UHFFFAOYSA-N	312.413	3.994	50	20	DHGD	
CC[C@@H](C#N)OC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	781129993	USMGXIOHYIRZFP-BDBSJLECSA-N	313.401	3.513	50	20	DHGD	
CCCn1cc(C(=O)NN(c2ccccc2)c2ccccc2)cn1	781551756	KWRUPNIMFLUHSG-UHFFFAOYSA-N	320.396	3.776	50	20	DHGD	
CC(=NNC(=O)NC1CCCCC1)C1CCC(F)(F)CC1	788699676	IOOXSLBWFZNUHL-UHFFFAOYSA-N	301.381	3.820	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1ccc(Cl)cc1F	790166968	GBUZHWLTBYAEPZ-UHFFFAOYSA-N	317.172	3.958	50	20	DHGD	
CSSCCNC(=O)NCCCc1ccc(C)cc1C	790655281	HIGBRYAMYGKOEP-UHFFFAOYSA-N	312.504	3.546	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@@H](C)Cc1ccc(Cl)cc1	791224069	OHSSTYNZNXJVOP-LBPRGKRZSA-N	317.820	3.755	50	20	DHGD	
C=C(CBr)CN1C[C@H](C(F)(F)F)CC[C@H]1C	791485916	DMMGHIJAGJLRMW-NXEZZACHSA-N	300.162	3.600	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H]1CCCC[C@H]1C	805385961	BPLCXZGXBDIMNB-YPMHNXCESA-N	305.378	3.563	50	20	DHGD	
CSSCCNC(=O)N1CCCC[C@H]1c1ccccc1	807230346	SZWWGXQYEZCPAX-AWEZNQCLSA-N	310.488	3.934	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@@H](Cc2ccccc2)C1	814843309	ANVKQODIXVCGHG-INIZCTEOSA-N	322.408	3.824	50	20	DHGD	
CNc1ccc(Cl)c(C(=O)NNc2cccc(Cl)c2)c1	816843862	FVXGKYBWXMIYIC-UHFFFAOYSA-N	310.184	3.792	50	20	DHGD	
CCCC(=CC(=O)NNc1ccc(F)c(C(=O)OC)c1)CCC	837035898	HKUYKPYRIKCUHK-UHFFFAOYSA-N	322.380	3.582	50	20	DHGD	
CCOc1ccc(NNC(=O)NC[C@@H](C)c2ccccc2)cc1	837360012	LWKZFNYASUFXLT-CQSZACIVSA-N	313.401	3.515	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H](C2CCC2)C2CC2)ccc1Cl	838745978	WFWHFRCGZOLBJR-HNNXBMFYSA-N	323.824	3.553	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NC[C@@]2(C)C[C@@H]2Br)c1	857393892	JHASIHLNDOFOAN-GOEBONIOSA-N	324.262	3.526	50	20	DHGD	
Cc1cccc2cc(C(=O)NC[C@@]3(C)C[C@H]3Br)oc12	857403812	UUHLZCMEEPOZDG-IUODEOHRSA-N	322.202	3.645	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)[C@H]1CCCCC1(F)F	862507512	HBTMCWBUFHZLOR-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(Cl)cc2F)CCO1	885107630	MILPEZHJZWDJLU-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)C1CCC(C(F)(F)F)CC1	885114095	UAQYGFNYBDCIKP-UHFFFAOYSA-N	322.277	3.777	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CCC(c2ccc3cccnc3n2)CC1	895212415	XYYJSUCJBUTORP-NUTKFTJISA-N	315.848	3.683	50	20	DHGD	
COc1ccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)cc1F	899893423	QAPSCGAHYNYBIU-UHFFFAOYSA-N	319.288	3.579	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1C	915949505	KPPPECVDTFGCPU-KRWDZBQOSA-N	324.424	3.838	50	20	DHGD	
CCOC(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	916268230	RJWFYKXLGGPIAA-UHFFFAOYSA-N	308.284	3.521	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1cccc(C(F)(F)F)c1	916290927	CGCKYXVWKOEXRM-UHFFFAOYSA-N	324.277	3.999	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1csc(C)n1	917546771	HIDKERDXDAJBCS-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)c2ccc(F)cc2)cc1	918649591	YGLOINJBZQDJDL-QINSGFPZSA-N	324.355	3.794	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1C#N	1116121068	JULCRUSDFQGTRC-YBEGLDIGSA-N	302.333	3.665	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)c2ccc(F)c(F)c2)c1	1319118279	JGTAWSZYDJOKPC-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2Cl)c(C)n1CC1CC1	1319385960	DKOMIGFYYOGPFP-UHFFFAOYSA-N	317.820	3.925	50	20	DHGD	
CCOc1cccc(C(C)=NNC(=O)c2ccccc2Cl)c1	1320299764	SNLGWHSMSDQLBY-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CCN(C(=O)CCl)[C@H](c1ccc(C)cc1)c1cccnc1	1341509780	NHILDSPYQGLRQG-QGZVFWFLSA-N	302.805	3.567	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1ccc(F)c(C(=O)O)c1)C(C)C	1595663347	VBYUJXDALKHIMF-ZDUSSCGKSA-N	324.396	3.820	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605254884	HDEATRVBYHTSJH-CYBMUJFWSA-N	306.406	3.743	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)c1ccc(C(=O)O)cc1	1776099401	FAYHQYHQMXNTLB-UHFFFAOYSA-N	316.401	3.851	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2cccc(CC(=O)O)c2)n1	1776381147	CMMFMLOSYOZUJP-VGOFMYFVSA-N	312.394	3.958	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1c(F)cccc1F	6209892	LBKNNOIHNCJBPO-PKNBQFBNSA-N	314.291	3.519	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2C)cc(OC)c1O	7211086	PWLLWRVMJJMCDU-RIYZIHGNSA-N	323.348	3.508	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)CCCC1CCCCC1	8089987	BVOMAHUXJAAREP-UHFFFAOYSA-N	302.418	3.507	50	20	DHGD	
N#C/C(=C\c1cccc(Br)c1)C(=O)c1ccco1	8200363	NHYPUMVMHHPDRX-YRNVUSSQSA-N	302.127	3.832	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2NCc2ccco2)cc1	134552048	OCDNPVNAURFVCF-UHFFFAOYSA-N	321.380	3.957	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc(Cl)n1	151964782	VMLSXHZLXSHFHZ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2nc(C(F)(F)F)cs2)c1	152922924	GXDUPZJGJSFXKH-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
Cc1c(C(=O)NNc2ccncc2Cl)oc2c(C)cccc12	154472046	ZCMHKARHOAFUIR-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	175780324	OVHLNKQYTLZXCZ-UHFFFAOYSA-N	311.385	3.552	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(F)c(Cl)c1	177911295	MALYSJPQYSQMRC-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CC[C@@H](NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1	178669266	ILEFGUWGHFWHMR-OAHLLOKOSA-N	312.344	3.958	50	20	DHGD	
Cc1c(C(=O)NNc2ccccn2)sc2cccc(F)c12	181195356	KNFZKIOANSMHHA-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CCC1(C(=O)NNc2ccccc2OC(F)(F)F)CCC1	190178902	DGZXGBSWQFRRSY-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
Cc1c(C(=O)N2CC=C(C#N)CC2)sc2cccc(F)c12	271096293	JCMLAMYETLGTNB-UHFFFAOYSA-N	300.358	3.645	50	20	DHGD	
O=C(NNc1ccccc1Cl)C1(c2cccnc2)CCCC1	365998103	JRKZKMHDLRCLGS-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cnccn2)cc1	490974770	ODPSWAOIBCAENK-OJNRTJSBSA-N	306.369	3.536	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	491129763	HPMKZNYPQOOAIH-SREVYHEPSA-N	303.120	3.515	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1csc(-c2ccsc2)n1	728428598	CKXTUYJVAPCXHV-UHFFFAOYSA-N	307.444	3.758	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H](CC2CCCCC2)C(C)C)nc(C)n1	736716159	FMTRLUDKZJTSQX-INIZCTEOSA-N	318.465	3.779	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNC(=O)c2ccccc2C)cc1	737772811	LBPXYXVXBFSPQC-OAHLLOKOSA-N	324.424	3.512	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNC(=O)c1cccn1C	742489793	ONMOOJUNNHASSQ-GOSISDBHSA-N	321.465	3.563	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)CC2=CCCCC2)c(Cl)c1	743825449	MJDPIIDJIIPITE-UHFFFAOYSA-N	321.808	3.692	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2ccccc2)C1	746502127	DFTCCIZIPMTSEW-IFQVXRHPSA-N	319.364	3.949	50	20	DHGD	
CS[C@@H]1CCCCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	749465731	IIPUOJFLUYCRDL-HXIRNQQJSA-N	317.414	3.677	50	20	DHGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)c1ccc(C)o1	752173939	CEFMVCFNUABOAA-UHFFFAOYSA-N	313.382	3.546	50	20	DHGD	
O=C(NC[C@@H]1CCC[C@@H](C(F)(F)F)C1)NNc1ccccc1	753063895	YLIQRMVIWFXMNK-VXGBXAGGSA-N	315.339	3.681	50	20	DHGD	
N#Cc1cccc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c1	757425060	JDTMVXHWJNTHGT-UHFFFAOYSA-N	318.288	3.839	50	20	DHGD	
CCCC[C@@H](CC)CC=NNC(=O)C(=O)Nc1ccc(C)cc1	760247171	CTNPMIXPAOPDKH-OAHLLOKOSA-N	317.433	3.642	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNC(=S)Nc1cccc(C)c1C	761359707	GPFIXAPEMKGTTB-CYBMUJFWSA-N	321.490	3.693	50	20	DHGD	
Cc1cccc(NNC(=O)CCCOc2ccc3c(c2)CCC3)c1	767862951	VAYABPGIQKZFQI-UHFFFAOYSA-N	324.424	3.786	50	20	DHGD	
CCC[C@H](C=NNC(=O)COCc1ccccc1)c1ccccc1	769585145	KVUZYLPDWPMIBU-LJQANCHMSA-N	324.424	3.889	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@H](F)c1ccccc1	769605781	OOWBSWFSUOMINK-CYBMUJFWSA-N	312.266	3.859	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(-c2ccc(F)cc2)s1	773589576	ZXMUOOVPPYCTPA-UHFFFAOYSA-N	320.414	3.888	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2nc(-c3ccccc3)no2)c1	775391113	ZCBMXRLNMKUABL-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1cnnc2ccccc12	776231643	LEZZZFNBWGABAI-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cccc(F)c1F	776257065	JPKATKJRHOIMJQ-UHFFFAOYSA-N	313.307	3.600	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncccc2C(F)(F)F)cc1C	778219787	OSDUOULXOOOJFS-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)s1	787146653	AMTUKIOTOCKFQN-IGVUGNCQSA-N	312.394	3.547	50	20	DHGD	
CCCC1CCC(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	787159783	OJSNZMNWVGCFOQ-FOWTUZBSSA-N	312.413	3.774	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)CCc1ccccc1	788713276	WEBOYEKUQYZPEK-UHFFFAOYSA-N	314.816	3.985	50	20	DHGD	
COc1cc(NNC(=O)N[C@H]2CCCC[C@H]2C)ccc1Cl	788848102	DNNIIXWMXIJQDT-MFKMUULPSA-N	311.813	3.553	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)c1cccc(C#N)c1)c1ccccc1	794509207	ZWKFMHNAJWWZPC-GOSISDBHSA-N	305.381	3.714	50	20	DHGD	
C[C@H]1C[C@H](c2ccccc2)N(CCI)C1	796622125	XZYHWELNZAHHKM-WCQYABFASA-N	315.198	3.505	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C#N)cc2)c(Cl)cc1F	806582880	ZNVQQKJIWUZDKM-UHFFFAOYSA-N	318.739	3.808	50	20	DHGD	
CC(C)CCC=NNC(=O)Cc1nc(-c2ccccc2)cs1	814785684	CIABCPPWTIWCMM-UHFFFAOYSA-N	315.442	3.891	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2cccs2)c1	814992089	GUHGYPUUKTYATE-UHFFFAOYSA-N	309.778	3.566	50	20	DHGD	
O=C(NN=CCCC1CCOCC1)Nc1ccc(Cl)cc1	815005348	UXYFMCBLYKCRFX-UHFFFAOYSA-N	309.797	3.654	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@H]1c1ccccc1	827973115	GEQWYQNEGYHMDO-LSDHHAIUSA-N	315.804	3.762	50	20	DHGD	
COc1ccc(-n2cc(/C=C(/C#N)C(=O)CC(C)(C)C)cn2)cc1	834417198	GWBHXAVFZFBLIN-DHDCSXOGSA-N	323.396	3.793	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)c1cc(Br)c[nH]1	834933418	LHAHBHRTDNHJTR-UHFFFAOYSA-N	312.211	3.629	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)COc1ccc2ccccc2c1	841616100	KGOSBMHQZYKFEC-UHFFFAOYSA-N	323.396	3.795	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1Cc1csnn1	844350496	VVTZCQRPCNEASA-ZDUSSCGKSA-N	313.543	3.524	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1)NC1CCCC1	853297051	RIFQUNLUYZUIBC-MNOVXSKESA-N	305.344	3.583	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2cccnc2[N+](=O)[O-])C1	853897233	ARWSTIRNZZKPAM-LBPRGKRZSA-N	323.469	3.590	50	20	DHGD	
CCC[C@H](C(=O)NN[C@H](C)C(F)(F)F)c1cccc(Cl)c1	862323461	VLMUCBGHEJFXDZ-SKDRFNHKSA-N	322.758	3.795	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CCCS2)C1	912579602	CLBZRIQUWVOEMK-QWHCGFSZSA-N	315.555	3.505	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1ccc(C(C)C)cc1	915918999	UTNIUZUHPJPDNR-UHFFFAOYSA-N	309.413	3.762	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCO2)C(=O)Nc1ccc(Cl)cc1	917516637	ZHEOCTGWIBPNLP-UVTDQMKNSA-N	324.767	3.821	50	20	DHGD	
CCCCCCC[C@@H](C)CNC(=O)NNC(=O)c1ccccc1	918134732	CQJLXGMMHKALCR-OAHLLOKOSA-N	319.449	3.627	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)o1	920989902	ZFTCJRKGFDAXMG-UHFFFAOYSA-N	305.765	3.643	50	20	DHGD	
CCCC(=NNC(=O)c1n[nH]c2c1CCCC2)C1CCCCC1	1115968194	VFXRQSCYIBGAEW-UHFFFAOYSA-N	316.449	3.755	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cn[nH]c1-c1ccc(Cl)cc1	1116378848	DLUNVYPKYKHNFA-UHFFFAOYSA-N	318.808	3.616	50	20	DHGD	
Nc1ccc(CNC(=O)CCCC[C@@H]2CCSS2)cc1	1342699684	NKGDEARMWYCLDR-CQSZACIVSA-N	310.488	3.599	50	20	DHGD	
O=C(Nc1nnc(-c2ccco2)s1)C1CCC(Cl)CC1	1527484554	ZYIZDEAMMFWSJS-UHFFFAOYSA-N	311.794	3.534	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	1776045989	WFBFZMRYPKUYHG-LBPRGKRZSA-N	317.389	3.853	50	20	DHGD	
C=C[C@H](CC(=O)NNc1ccc(C(C)(C)C)nn1)c1ccccc1	89494793	AJDNEMZMHGGNSP-CQSZACIVSA-N	324.428	3.577	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2ccccc2Cl)c1	120737450	QVDISFFPSOPYSG-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc([N+](=O)[O-])cc1	134169074	GELVDVOKXOXIJZ-ZDUSSCGKSA-N	313.357	3.540	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2ccc(F)cc2C)c1	161054978	JIBIBVHCICCTMG-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
C[C@@H](C(=O)NNC(=O)CC1CCCC1)c1ccc2ccccc2c1	175540914	FNABQTWPLZSSCA-CQSZACIVSA-N	324.424	3.671	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2c(F)cccc2[nH]1	181104211	OVMBFDQJSQXGAK-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2cccnc2)c1C	192861958	DNJVISZUXZMZBI-VCHYOVAHSA-N	323.396	3.560	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)s1	254504923	JWWAIKWDDBWJSW-UHFFFAOYSA-N	323.421	3.931	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc2c(O)nccc2c1	285654614	JKDAPYGNJTZXMW-CYBMUJFWSA-N	315.417	3.990	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1	302777095	VQYGHIJMJFZXKV-MDWZMJQESA-N	323.826	3.978	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1C[C@H]1c1ccc(Cl)s1	373274695	NKWJTFYDXDKRGV-GHMZBOCLSA-N	310.781	3.787	50	20	DHGD	
CN(N=Cc1cn(C)c2ccc(F)cc12)C(=O)OC(C)(C)C	492744168	FJKNJXGLVSQQCQ-UHFFFAOYSA-N	305.353	3.518	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C\c1cncc(F)c1	493411299	BDTNGRNEPMJZSZ-FPLPWBNLSA-N	313.376	3.809	50	20	DHGD	
CCCN(N=C1CCCC12CCOCC2)C(=O)OC(C)(C)C	495678084	VJULTWZHJFOWFG-UHFFFAOYSA-N	310.438	3.970	50	20	DHGD	
CN(N=Cc1cscc1C(F)(F)F)C(=O)OC(C)(C)C	496857033	MAIVLTXDJLWJRK-UHFFFAOYSA-N	308.325	3.968	50	20	DHGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)cnc12	588598143	CPFCVAILNLONEG-QPEQYQDCSA-N	323.302	3.711	50	20	DHGD	
N#CC(C#N)=CNc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	735265952	RFNZVFLOEBGTNB-UHFFFAOYSA-N	306.281	3.730	50	20	DHGD	
CC(C)(C)n1cc(C=NNC(=O)c2cccc3ccccc23)cn1	741465678	SDICDISJBHLJQG-UHFFFAOYSA-N	320.396	3.555	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cccc3c2CCCC3)cc1C	748585924	OIAXDBURXGZVDC-UHFFFAOYSA-N	308.425	3.868	50	20	DHGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)CC1CCCC1	749450155	TYAVOGYATZCZBY-UHFFFAOYSA-N	308.809	3.769	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)C(=O)c3ccccc3F)ccc21	751523894	LNTSTRLUNIKXBJ-RVDMUPIBSA-N	306.340	3.608	50	20	DHGD	
Cc1ccc(-c2cccc(C=NNC(=O)c3ccc[nH]3)c2)cc1	757567627	FDAABOUXVGHRQX-UHFFFAOYSA-N	303.365	3.754	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	762819172	PYAHOGLBEDHWLA-JXMROGBWSA-N	311.307	3.767	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2cc(F)c(F)cc2F)CC1	769100419	ZGOZCMHNJWWIDO-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
CS[C@@H](C(=O)OC[C@@H](C)CBr)c1ccccc1	770383209	RRFOYZAEBRMRKM-CMPLNLGQSA-N	317.248	3.665	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1c(C)cccc1F	771697256	KAKRBONNVJTKJB-HNNXBMFYSA-N	308.397	3.705	50	20	DHGD	
CC[C@H](CSC)NC(=O)NNc1cc(Cl)ccc1Cl	775458149	JPXFVPYQZNOWLP-SECBINFHSA-N	322.261	3.761	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1)C(=O)c1ccc(OC(F)F)cc1	776256658	FLLMHAXDLVGIKR-MDWZMJQESA-N	315.275	3.783	50	20	DHGD	
CCC(CC)N(CC(C)C)C(=O)/C(C#N)=C\c1ccc(O)cc1	776669243	MSNZNIROASVEOW-WJDWOHSUSA-N	314.429	3.972	50	20	DHGD	
CC(C)[C@@H]1CC(=NNC(=O)c2ccc3ccccc3c2)CCO1	776766305	CAKVFFRXGOKPDX-SFHVURJKSA-N	310.397	3.761	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc2ccccc2n1	777465669	WHGSWHFICMBQLB-INIZCTEOSA-N	319.408	3.947	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cn2c1	789125922	AGRJIGFMUKFHSV-RIYZIHGNSA-N	304.309	3.615	50	20	DHGD	
COC1(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCCC1	790151591	OLRHMNHFEGSDNG-GFCCVEGCSA-N	320.458	3.548	50	20	DHGD	
CSSCCNC(=O)NCc1ccccc1C(F)(F)F	790696906	LAGQVXHARPNXFJ-UHFFFAOYSA-N	324.393	3.516	50	20	DHGD	
CC(C)O[C@H](C=NNC(=O)NC1CCCCC1)c1ccccc1	792907256	UTLVXRWLGVWLJR-QGZVFWFLSA-N	317.433	3.770	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)n1	794566420	GYTUWDLCLGQESS-MRXNPFEDSA-N	307.397	3.519	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CCC(F)(F)C1	795192865	ODMIIADSPMLLBX-ZETCQYMHSA-N	309.143	3.872	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)Nc1ccccc1C	798312025	PCKVTDODRWERAX-UHFFFAOYSA-N	305.422	3.754	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC[C@H](c1ccc(Cl)cc1)C(C)C	804705654	HXIMSUVCHQOSDP-UKYUDJEDSA-N	320.820	3.640	50	20	DHGD	
CC(=O)c1cc(NC(=O)NNc2cccc(Cl)c2)ccc1F	806581657	TUVJUHHZLJFQLK-UHFFFAOYSA-N	321.739	3.830	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	807033417	OSXVTQUDNVCSNL-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	810197746	UQGHGPWYUUWZJJ-IMCXABMTSA-N	322.408	3.607	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(C2CCCC2)cc1	810343600	LTPZRTFRLFJTAY-UHFFFAOYSA-N	302.418	3.541	50	20	DHGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)c1ccc([N+](=O)[O-])cn1	812244116	DUKCNFHMEJYHIA-XFFZJAGNSA-N	317.251	3.655	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Cl)ccn1	812765263	BREDODBXWFRHEY-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)C[C@H](O)Cc1ccccc1	814649550	VHCCZZNWDZIVRK-QGZVFWFLSA-N	323.553	3.544	50	20	DHGD	
Cc1ncsc1CCNCc1ccc(OCCCCl)cc1	824739497	ZCHKEEANVSQMQN-UHFFFAOYSA-N	324.877	3.792	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967733	BGCVKWMNMKFBNF-ZYHUDNBSSA-N	315.339	3.760	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2ccccc2Br)CC1	836780192	YADWDQOERKGMFK-JTQLQIEISA-N	309.207	3.639	50	20	DHGD	
C[C@H](CNC(=O)[C@H](Br)C(C)(C)C)CC(F)(F)F	840516578	FOBZGFRXSPFWSP-YUMQZZPRSA-N	318.177	3.501	50	20	DHGD	
Cc1nc(C)c(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	852524681	MZNQKXDUVGJGPK-CQSZACIVSA-N	310.514	3.888	50	20	DHGD	
COC1(C(C)=NNC(=O)c2ccc(Cl)cc2Cl)CCC1	853279990	ZPJWCVWUSARBLF-UHFFFAOYSA-N	315.200	3.668	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)CCc1ccccc1O	853304638	UYDYUEKZPPVPEN-CQSZACIVSA-N	300.402	3.563	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ncnc3[nH]ccc23)C1	853897266	BTRIEWDAJKKSKC-LBPRGKRZSA-N	318.497	3.558	50	20	DHGD	
CCc1ccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)cc1	856809754	FONUAZQZDRGAOQ-JSGCOSHPSA-N	311.223	3.544	50	20	DHGD	
CC(C)=NNC(=O)c1ccccc1OCc1ccc(F)cc1	866933500	BVMVQVIKLPORQO-UHFFFAOYSA-N	300.333	3.530	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccc2oc(C3CC3)nc2c1	878188297	HACWSFCGLUXUJZ-UHFFFAOYSA-N	314.172	3.630	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCO[C@@H](C(C)C)C1	885129843	HHSPOGXJGULMEN-SWLSCSKDSA-N	310.825	3.543	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	912630330	CHYHXVSGESRMEH-ATVHPVEESA-N	311.429	3.819	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(F)cc1)c1ccc(C)cc1	915902756	IIBJMLBAEFUOLM-INIZCTEOSA-N	301.365	3.912	50	20	DHGD	
O=C(NN=C1CCCc2ccccc21)c1ccc2ccccc2n1	916243187	ZUNIQTFOUVXEGG-UHFFFAOYSA-N	315.376	3.705	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2nncs2)C1	930709854	JZUUNPWNLYYPTR-LBPRGKRZSA-N	313.543	3.524	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1ccccc1Cl	1115812934	GKINGCPZDLQFKS-NMKXLXIOSA-N	302.805	3.882	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(Sc2ccccc2)CC1	1319408862	KLTPJXCRJOYXSG-UHFFFAOYSA-N	302.374	3.594	50	20	DHGD	
CC[C@H](NC(=O)C1CCC(Cl)CC1)c1nc2ccccc2[nH]1	1347580540	LXGSGFMKDRHTIS-BPCQOVAHSA-N	319.836	3.928	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC[C@@H](c2ccc(F)cc2)C1	1548666334	KFIXXBPVLSYAAT-SHARSMKWSA-N	309.812	3.939	50	20	DHGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)NC1CCCC1	6853730	QATISTLSMOTZAB-SSZFMOIBSA-N	312.413	3.831	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccco2)cc(Cl)c1O	8200804	FKEXNYVAZDPERJ-IZZDOVSWSA-N	317.728	3.827	50	20	DHGD	
Cc1cccc(OCCCCC(=O)NNc2ccc(F)cc2)c1	57429967	SMOPBQTVCYJVSP-UHFFFAOYSA-N	316.376	3.827	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1C	76106508	CDNOBINQTPCQMQ-YBEGLDIGSA-N	307.397	3.927	50	20	DHGD	
CCCCCCCCNC(=O)/C(C#N)=C/c1ccc(O)cc1	105415781	XKPCQHFUALKPNK-DTQAZKPQSA-N	300.402	3.776	50	20	DHGD	
O=C(CCc1cccc(Cl)c1)NNc1c(F)cccc1F	118510940	FVUPROCNKMGUID-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	122155240	ZGGUREZIPFKPGA-KPKJPENVSA-N	320.352	3.721	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncc(Cl)cc2Cl)cc1C	132722603	RZZVPRFFJPAHPI-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2cccc(Br)c2)C1	152115641	ODHJAIQJMFHVQG-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(-c2ccccc2)[nH]1	172444439	RHXVIRBNXDTGHA-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
O=C(Cc1coc2cc3c(cc12)CCC3)NNc1ccccc1F	178902945	UUUWDZQASGSQOX-UHFFFAOYSA-N	324.355	3.746	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(OC)cc1)c1ccccc1	255114616	AADIXJPGFQWIOT-XEYRCQSKSA-N	320.392	3.870	50	20	DHGD	
C/C(C=NNC(=O)COc1ccc(C)c(C)c1)=C\c1ccccc1	263630688	VSNQGKRCRWWTAL-IDJPQXKVSA-N	322.408	3.888	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(OC)c1	726429672	VHGALTIEXZOGEJ-ACLQVGRQSA-N	309.369	3.607	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc(F)c(C)c2)n1	729149557	JQNDTNONPAQKSG-GHXNOFRVSA-N	316.357	3.832	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1cccc(F)c1	730147078	NFIKROJQUMQDMY-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1c(Cl)cccc1OC(F)F	732923781	ITFNBOBLSVRJEV-UHFFFAOYSA-N	320.723	3.800	50	20	DHGD	
C[C@H](CNC(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	735756184	BPZYXNFJPLPLAI-SNVBAGLBSA-N	323.318	3.534	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccccc2)cc1F	741759466	JFJCMWWZYKXKPY-UHFFFAOYSA-N	302.374	3.702	50	20	DHGD	
C[C@H](C=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1	741765085	NOZMXSTXKIZAGH-CQSZACIVSA-N	310.401	3.664	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cnn(C(C)C)c1	746680580	YBQFYVXLCAMHLN-UHFFFAOYSA-N	320.396	3.771	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(F)cc2F)c(C)c1	746966603	SCJUFQGQDUAJBV-UHFFFAOYSA-N	319.355	3.716	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1)c1cccc(Cl)c1	747746509	JCVRNZKJHNUQQB-OFMUITAVSA-N	302.736	3.908	50	20	DHGD	
CCO[C@@H](C)c1ncc(C(=O)NNc2cc(C)cc(C)c2)s1	748366205	MLQVAGFTQUEIPW-LBPRGKRZSA-N	319.430	3.614	50	20	DHGD	
CN(Cc1ccn(-c2ccccc2)n1)/C(=C\C#N)c1ccccc1	750791022	BNZLDODLOBBLAG-NDENLUEZSA-N	314.392	3.869	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1ccc(OCC)c(OC)c1	750931877	VODQEGVOXSPVRV-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
C[C@H]1CCc2ccccc2[C@@H]1NC(=O)NNc1cccc(C#N)c1	763091258	PJKKSEGUKVLMJS-SCLBCKFNSA-N	320.396	3.508	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1ccccc1F)c1cccc(Cl)c1	763362774	LIEDUAGERDHPHD-GFCCVEGCSA-N	318.779	3.927	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C(C)(C)C)cc2)n1	769924532	ZRTWZJXIVARRKL-UHFFFAOYSA-N	313.405	3.540	50	20	DHGD	
CC(C)C(=O)NNC(=O)Nc1ccccc1SC1CCCC1	770333532	NGMVZPDWNYCUKS-UHFFFAOYSA-N	321.446	3.530	50	20	DHGD	
Cc1cccc2c(CC(=O)OC[C@H](C)CBr)c[nH]c12	770383860	LTFSDWBXTAGVRZ-SNVBAGLBSA-N	324.218	3.593	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2ccccc2Cl)c(C)c1	773492581	LOWZZGMOZSGULT-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)CCc1ccccc1O	774385638	PLQBPXMXGMMRSD-UHFFFAOYSA-N	316.323	3.550	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2cc(F)ccc2[nH]1	777463679	NXMMSWGZNGSCOS-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
C[C@H](CSc1ccccc1)C(=O)NNc1cc(Cl)ccn1	778451225	GRPAZZNQAJZZMS-LLVKDONJSA-N	321.833	3.607	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCC[C@@H]1CCC1CCCC1	780815138	QUFHCZREZPOKES-OAHLLOKOSA-N	321.914	3.770	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1OC(F)F	781555547	KSORGTSVBWXKNA-JYRVWZFOSA-N	321.323	3.963	50	20	DHGD	
C=C(CBr)CN1C[C@H](C)CN(C)c2ccccc21	791477003	JDBJLOWKVKCBNL-CYBMUJFWSA-N	309.251	3.530	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(CC(C)C)c1ccc(CC)cc1	794135730	VMMRZJKIGGOCGR-SSZFMOIBSA-N	300.402	3.682	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1cccc(O)c1	799587075	NYWXKLXPFJWTAZ-CYBMUJFWSA-N	313.401	3.650	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(F)c(F)c2F)s1	810327541	NZYMHZHUOXYMTD-UHFFFAOYSA-N	314.332	3.550	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H](OC(C)(C)C)c1ccccc1	816629629	URSBPPMKVIOUNM-ZDUSSCGKSA-N	318.244	3.805	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(C(F)(F)F)c2)cc1	817910762	DUIMQXGGGSRZCK-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
ClCCCOc1ccc(CNCCC[C@@H]2CCOC2)cc1	825145242	XQJIRSJACCXREN-MRXNPFEDSA-N	311.853	3.601	50	20	DHGD	
CN(NC(=O)NCc1cc(C2CC2)ccc1F)c1ccccc1	836529994	JXGHJAGRYRGNDK-UHFFFAOYSA-N	313.376	3.554	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837049863	AZQYKDVAFJSDTO-UHFFFAOYSA-N	324.396	3.662	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1cc(F)ccc1Br	839879030	NLKONZCENVKWLG-ZDUSSCGKSA-N	315.186	3.634	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(C[C@H]2CCOC2)CC1	844345768	ZLVXRJGZCICUIO-MRXNPFEDSA-N	313.558	3.757	50	20	DHGD	
CC(C)[C@@H](C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387969	CLCYIZHZFSMKRW-SECBINFHSA-N	324.837	3.594	50	20	DHGD	
O=C(NN=C1CCC(c2ccccc2)CC1)c1cccc(F)n1	853442770	UYRBFRVWQMWNIK-UHFFFAOYSA-N	311.360	3.664	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)NCc1nc(C(C)C)cs1	853867005	PPIXSYKEIFTFKB-UHFFFAOYSA-N	322.409	3.540	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccc(Cl)cn2)cc1	856092919	KYCBRKDJDAXSDU-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
CSc1ccc(CNC[C@@]2(C)C[C@H]2Br)cc1	856806325	DMMBYFQSPNEMIP-CHWSQXEVSA-N	300.265	3.672	50	20	DHGD	
Cc1cccc(NNC(=O)Nc2sc(C)nc2CC(C)C)n1	860774684	QINQVWCYAMTCNC-UHFFFAOYSA-N	319.434	3.502	50	20	DHGD	
CC1(C(=O)NNc2ccc(OCc3ccccc3)cc2)CCC1	862519083	RGSWWUKOMABDMX-UHFFFAOYSA-N	310.397	3.899	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)C1[C@@H]2CCC[C@@H]12	862519146	UESMWCLDTHNGPR-QZTJIDSGSA-N	322.408	3.755	50	20	DHGD	
CSc1cccc(NC(=O)[C@@]2(C)C[C@H]2Br)c1	905290283	ZRTPMJIVSOVDTK-PWSUYJOCSA-N	300.221	3.521	50	20	DHGD	
CC1CCN(CCC(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)CC1	1115814372	SAEJHOSDFOSYFK-DLBZAZTESA-N	319.493	3.571	50	20	DHGD	
Cc1ccc(NNC(=O)CCC(=O)c2ccccc2)cc1Cl	1115831361	XDEORTWENBQVPW-UHFFFAOYSA-N	316.788	3.755	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ncc(-c3ccccc3)[nH]2)ncn1	1255999318	QUZFPEHBPGQNFC-NTUHNPAUSA-N	319.393	3.653	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1ccc(C(C)(C)C)nn1	1323002016	QTYUXUIPPPGKAL-ZDUSSCGKSA-N	318.465	3.824	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)CC(C)(C)C)cc1C(=O)O	1600462880	QFXFABNUHDUEEH-NSHDSACASA-N	306.406	3.599	50	20	DHGD	
O=C(NN=C1CCCC2(CCC2)C1)Nc1ccc(C(=O)O)cc1	1776046771	HPECBMOXVPZCAG-UHFFFAOYSA-N	315.373	3.607	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(-c3ccc(C)o3)n2)cc1	119933226	KXMHCHZEGKDNGX-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Cl)c(Cl)[nH]1	120376194	XUCKEXGQYRCDKD-UHFFFAOYSA-N	324.211	3.957	50	20	DHGD	
C[C@H](NC[C@@H](C)CBr)c1cccc(-n2cccn2)c1	152789574	HBCHLKHENXNHGN-STQMWFEESA-N	322.250	3.554	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2ccccc2F)c1	152853951	JVVAZKXWKRQPRH-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3ccccc3)no2)c1	159226502	JOEKQYQOQMVGDE-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)Nc1ccncc1	179512698	ZQQAGNUNKXITJQ-FMIVXFBMSA-N	317.270	3.646	50	20	DHGD	
CCc1nc(CC(=O)NNc2ccc(C(C)(C)C)cc2)cs1	181121259	TZLVPTHRQCTLNT-UHFFFAOYSA-N	317.458	3.689	50	20	DHGD	
CSc1ccccc1C(=O)NNc1ccc2ccccc2n1	181140593	NYVBSZCMAJSVPP-UHFFFAOYSA-N	309.394	3.714	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc2c(s1)CCCC2	184289583	PXJSDZOTUDYPOC-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cnc(-c2cccs2)s1	191759077	FSCWHWAMNVAKFV-YRNVUSSQSA-N	324.452	3.561	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccccc2C)c1	252614896	JMXCFDRPDKKIQT-UHFFFAOYSA-N	324.424	3.956	50	20	DHGD	
Cc1ccc(C)c(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)c1	255316526	VXCDKZWPAPROQY-PXNMLYILSA-N	305.333	3.822	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccc(C(F)(F)F)cn1	280324784	UGKMKWUBZAKRJR-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(C)noc1C(C)C	281662221	CJXBJPHRVCHDCW-UHFFFAOYSA-N	301.390	3.734	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)c1ncc(C)s1	282533843	WMKGOFCUOYGPCG-LBPRGKRZSA-N	318.446	3.710	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1c(C)cccc1C	490725161	DWIUOXDKCBCYTB-UKTHLTGXSA-N	312.394	3.919	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1ccsc1	490978102	VGDWUWMGIBJTCN-XBNGYDHASA-N	324.405	3.724	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(C2CC2)ccn1	491102882	JNNBOAVUTUHLPR-DHDCSXOGSA-N	307.328	3.644	50	20	DHGD	
Fc1cccc([C@H]2CC[C@@H](CI)OC2)c1	536959061	WQIRJAWBVBLWAD-JQWIXIFHSA-N	320.145	3.523	50	20	DHGD	
O=C(/C=C\c1cccs1)NNc1ncc(Cl)cc1Cl	588512178	SRBIMUCOAUGXFI-ARJAWSKDSA-N	314.197	3.606	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2)o1	588555465	MGGHIJHCCISCLP-GDNBJRDFSA-N	301.367	3.554	50	20	DHGD	
CCCCC[C@@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	726701030	VEXBEAFCZIKRJF-LLVKDONJSA-N	315.364	3.883	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccnc2cc(Cl)ccc12)C1CC1	729515937	UFCXZOSAWPIVJC-JTQLQIEISA-N	303.793	3.768	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	734094674	SEGSKDPOPHSZGJ-UHFFFAOYSA-N	316.788	3.980	50	20	DHGD	
CCN(CC)c1ccc(C=NNC(=O)OC(C)(C)C)cc1F	739399736	HQHDFEATGASNJA-UHFFFAOYSA-N	309.385	3.531	50	20	DHGD	
COc1ccc(C(=O)NNc2c(C)cc(C)cc2C)c(F)c1	743764224	FLTXETJKVITMMH-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2ccc(Cl)nc2)cc1	743818901	RMQSTOLKGIIJEG-UHFFFAOYSA-N	317.820	3.763	50	20	DHGD	
O=C(NNc1ccccc1Br)C(F)=C1CCCC1	748066284	PFMOSRQTELTKCO-UHFFFAOYSA-N	313.170	3.690	50	20	DHGD	
C/C=C/C=C\C(=O)NNc1ccc(Br)cc1Cl	748775668	CJOSNJGDMSSCFW-IAROGAJJSA-N	315.598	3.678	50	20	DHGD	
COc1cccc(C=NNC(=O)CC2CCCC2)c1OC(C)C	749449803	LNPLCDIMEOQZAS-UHFFFAOYSA-N	318.417	3.513	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1sc(C(C)C)nc1C	751130607	FAFZSGOQEBOFBH-UHFFFAOYSA-N	319.405	3.868	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)C(C)(C)C	754147287	IMDMBXCSWZRSJZ-QMMMGPOBSA-N	306.303	3.970	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cn(C)c2ccccc12)c1ccccc1	755720504	DGBYTEZGKJFXDM-KRWDZBQOSA-N	319.408	3.822	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc([N+](=O)[O-])cc1	768242792	AOKLMRDHPAAZLI-CYBMUJFWSA-N	305.378	3.644	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@@H](c2ccc(F)cc2)C1	770654134	AAFMFCDCJFJVDM-WCQYABFASA-N	300.215	3.646	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccn(C)n3)n2)cc1	773154936	XXXFBGBMEWDPBA-LCYFTJDESA-N	322.393	3.616	50	20	DHGD	
COC(=O)c1coc(/C=C(\C#N)c2ccc3ccccc3n2)c1	774120627	VIZSPAWBJJWUPE-MDWZMJQESA-N	304.305	3.679	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2CC[C@H](C)C2)c1C	781615156	OQBKLRZQQLSURT-KJBJRLJWSA-N	313.445	3.727	50	20	DHGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	783772345	JPIKYGOCYXDSKC-OLZOCXBDSA-N	303.362	3.527	50	20	DHGD	
C=CCCN(C)C(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	786222421	AFIKUUPTKVFXJL-AQTBWJFISA-N	313.445	3.847	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC12CCCC2	788721317	AMEHHWCUUIONAA-UHFFFAOYSA-N	318.442	3.614	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(CC(F)(F)F)cc1	794193828	LUXMQXZKTOMXLE-UHFFFAOYSA-N	324.393	3.924	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccnn2C(C)C)c1C	794869862	OGDGAACZCSESGY-XNTDXEJSSA-N	308.385	3.627	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	794881841	DTEFKAMLAZHJJU-HRYODUOUSA-N	323.314	3.917	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(F)c3ccccc23)c1	795192048	JZBJBZOMBREANE-UHFFFAOYSA-N	305.312	3.607	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCCO1	799071004	XZCZGQPLHWUVPH-KGLIPLIRSA-N	317.520	3.728	50	20	DHGD	
Cc1cc(F)cc2c1CN(C[C@H](C)CBr)CC2	800472334	LTKFWJCMIWZUDJ-SNVBAGLBSA-N	300.215	3.523	50	20	DHGD	
CSSCCNC(=O)c1cc2cc(Cl)ccc2[nH]1	803480461	IOBCUIZWLVLKIE-UHFFFAOYSA-N	300.836	3.562	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC3(CCC3)CC2)cc1	804622904	JCYHKIRFUHVPSV-SAPNQHFASA-N	324.424	3.785	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	807174006	TVLVKYBYXYPHBN-BFHYXJOUSA-N	312.417	3.613	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1csc(C)n1	812428364	QGAZQUDMIQBIOB-UHFFFAOYSA-N	315.442	3.903	50	20	DHGD	
O=C(CNc1ccccc1)NN=Cc1ccc(C2CCC2)cc1	814711734	UIUZXVLAQWXYNC-UHFFFAOYSA-N	307.397	3.516	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)c1cccc2ncccc12	814841181	FIPPCBMTKWWJBF-UHFFFAOYSA-N	321.405	3.767	50	20	DHGD	
CN(NC(=O)Nc1cccnc1-c1ccc(Cl)s1)C1CC1	824298722	MRHJJFIFQRHJBG-UHFFFAOYSA-N	322.821	3.594	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1ccc(C(F)(F)F)cc1	827148214	FZUJGQOTRBTJNM-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1CC2(CC2)C1	831534673	KCBAOFRDFNCCNU-UHFFFAOYSA-N	303.164	3.766	50	20	DHGD	
Cc1nc(C)c(CNC(=O)NNc2c(C)cccc2Cl)s1	838491424	JOZCAFYFZCGJKW-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(C)o1	843270335	UVPJWGMIVQBHDA-OJLMPMFISA-N	311.385	3.901	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(Cc1c(C)cccc1C)CC(C)C	843956727	MVBHWPRUBBYEIB-GHRIWEEISA-N	314.429	3.732	50	20	DHGD	
CCN(CCSC)C(=O)CCCC[C@@H]1CCSS1	844123603	GKMIJLAHTSFRNX-GFCCVEGCSA-N	307.550	3.912	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@H](O)c2ccccc2)C1	852523032	TXFJCIQVPAWNFC-SJORKVTESA-N	321.537	3.816	50	20	DHGD	
CC1(C)C(=NNC(=O)OCC(F)(F)F)C[C@@H]1c1ccccc1	853429079	CVFDJQKNFOOVKT-LLVKDONJSA-N	314.307	3.845	50	20	DHGD	
CC[C@@H](NC[C@H](CBr)C1CC1)c1c(C)noc1C	859248757	JORGQUWWFDQUQR-QWHCGFSZSA-N	315.255	3.753	50	20	DHGD	
CC(C)C(=O)NN=CC1=Cc2cc(Cl)cc(Cl)c2OC1	915270355	FKODWEPEYZYKRS-UHFFFAOYSA-N	313.184	3.527	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1	915977649	XAUHCZJAUUTVGT-OAHLLOKOSA-N	310.397	3.762	50	20	DHGD	
COc1ccc(CCC(C)=NNC(=O)NC2CCCCC2)cc1	916299872	YRUBONULJIRZBM-UHFFFAOYSA-N	317.433	3.636	50	20	DHGD	
CC(C)Oc1cccc(/C=C(/C#N)C(=O)NC2CCCCC2)c1	921261957	MASGUCGOMYKAQY-WJDWOHSUSA-N	312.413	3.830	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccoc3C(=O)O)c[nH]c2c1	1600490115	BNMWAGHLBOHKMR-GHXNOFRVSA-N	320.304	3.557	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C)CC1=NNC(=O)c1ccc(C(=O)O)cc1	1776098939	HLEMOIJJKVLDPJ-SWLSCSKDSA-N	316.401	3.563	50	20	DHGD	
CCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccc(C)cc1	6950784	UNGYMMNRYBMHDA-LDADJPATSA-N	320.392	3.617	50	20	DHGD	
CCc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1	20190867	ALOQXTRUSUCFGA-UHFFFAOYSA-N	323.845	3.831	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	41672716	CWFCCCMUVIXNDL-FXFXYLOPSA-N	306.365	3.567	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Br)cc2)c1	78240218	TXWHOFFDDAUETR-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(NNc1ccc(-c2ccccc2)nn1)c1cccc(Cl)c1	85655757	IBMBPFBSCQZXEJ-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1C[C@H]1c1ccco1	103276989	BRLLEXQLRNWTSS-VXGBXAGGSA-N	310.275	3.545	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccccc1F	153066279	MWEABBHZCASUEV-GFCCVEGCSA-N	304.340	3.677	50	20	DHGD	
Cc1cccc(-c2cncc(C(=O)NNc3cccc(F)c3)c2)c1	154426579	CGRUDCHKYMTOPV-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@@H]1c1c(F)cccc1F	158313072	WSPWFFKIHRVMCO-VHSXEESVSA-N	322.742	3.865	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCOCc2ccccc2)c1	158818287	UCCVSFCCGPSWTO-UHFFFAOYSA-N	312.413	3.744	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)cc1	173014619	LHXAPXFIHASHPL-XNTDXEJSSA-N	310.328	3.518	50	20	DHGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2cc(C)cc(C)c2)ccn1	180786102	WNDABNURQHEXEQ-CQSZACIVSA-N	313.401	3.633	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(F)cn1	183089214	DTLACBMATLYYFC-UHFFFAOYSA-N	312.256	3.501	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cccc2ccccc12	254592086	GNZJKQNLKUDXJK-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2cccc3ccccc23)cc1	254750173	HBNPAPSNZREVSR-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCCN(c2ccccc2)CC1	255354004	QCEYGNXBFNOEBM-NDENLUEZSA-N	303.409	3.763	50	20	DHGD	
N#CCCCC(=O)NNc1c(Cl)cc(Cl)cc1Cl	292597576	MBVYWHDHEFVMSX-UHFFFAOYSA-N	306.580	3.784	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1ccc(Cl)nc1)c1ccccc1	490726980	WOIYMGAEAQNYNV-ZENNRRHLSA-N	311.772	3.519	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](CC)CC#N)c1C	588558240	CRRVKBTXEATPDW-ZFOVBUMHSA-N	313.401	3.657	50	20	DHGD	
CS[C@@H]1CC[C@@H](N(C)C[C@H](CBr)C2CC2)C1	701863332	WSMZYESQXXGYKI-YNEHKIRRSA-N	306.313	3.623	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N(CC(F)F)C1CC1	730234857	FQNAYXZHCWOWCK-NSHDSACASA-N	309.447	3.957	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NN(C)c1ccccc1	732269048	BAVFGUZZWIJVCT-MRXNPFEDSA-N	300.427	3.725	50	20	DHGD	
CCC(CC)[C@H](O)CNC(=O)CCCC[C@H]1CCSS1	732301310	VGCIBEGWGKHJSZ-UONOGXRCSA-N	319.536	3.614	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](CC(C)C)c1ccccc1C	732747557	QPMVFENMWWDDAA-OKACTXMXSA-N	300.402	3.642	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(SC(F)F)cc1	734980293	QRIXSZZMUCSTGG-UHFFFAOYSA-N	300.374	3.888	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)c1c[nH]c2ccccc12	735270894	XYCVANOOZPILON-CYBMUJFWSA-N	315.417	3.535	50	20	DHGD	
CC[C@H](SC)C(=O)NN(Cc1ccccc1)c1ccccc1	746767332	WBJYQYDEWWHYTP-KRWDZBQOSA-N	314.454	3.866	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1cccc2cnccc12	748769198	GBLZRZLLKOLUMU-QGZVFWFLSA-N	320.396	3.569	50	20	DHGD	
N#Cc1cccc(NNC(=O)CCCCCc2ccc(O)cc2)c1	749260846	WONCWQGIRBWVFY-UHFFFAOYSA-N	323.396	3.510	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CC1	761574051	WZMXRAMTJJFSDT-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
CC1(C)CCCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	768183682	DLCCYPRQEDKQGO-LLVKDONJSA-N	304.272	3.835	50	20	DHGD	
Cc1c(C(=O)OC[C@H](C)CBr)cnc2ccccc12	770396813	DSOFEXKJXIJSQE-SNVBAGLBSA-N	322.202	3.731	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)c1ccc(Cl)s1	772822105	ACCCHJBRSGTPRF-SECBINFHSA-N	324.837	3.562	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CC2(CCC2)C1	772837652	WJJXAHFDVMGLER-UHFFFAOYSA-N	308.834	3.868	50	20	DHGD	
CCn1c2ccccc2c2cc(C=NNC(=O)C(F)F)ccc21	782234961	JLDBXWXIZGEAKX-UHFFFAOYSA-N	315.323	3.530	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1	790733452	XDVZCIIFNJEPCK-CABCVRRESA-N	324.515	3.708	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H](Cc2ccccc2)C1	790881057	TWRLURIAWLNEGM-HNNXBMFYSA-N	324.515	3.662	50	20	DHGD	
C#CCN(C)C(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	790966856	XGSILMSZVYWMDE-AQTBWJFISA-N	323.440	3.609	50	20	DHGD	
CSSCCNC(=O)c1ccc(-c2ccccc2F)o1	791099226	AXCADVKERVGRSN-UHFFFAOYSA-N	311.403	3.827	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1Cc2ccccc21	791721432	YCVNUVLPRUYWSK-CQSZACIVSA-N	307.180	3.776	50	20	DHGD	
CCc1[nH]ccc1C(=O)NN(Cc1ccccc1)c1ccccc1	794823332	JPWLZHQFURCMOP-UHFFFAOYSA-N	319.408	3.929	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCC(C(F)F)CC1	799478570	JUVIVCNEJNCWEK-UHFFFAOYSA-N	308.372	3.937	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccc(C(F)(F)F)s1	806861064	HOIKZRQFNJRKMU-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
Oc1ccc(CCNCc2ccc(OCCCCl)cc2)cc1	811476671	PCXBOCSTIINIJB-UHFFFAOYSA-N	319.832	3.732	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)[C@@H]1CCCSC1	813051909	VZEUXNIMKOFTHF-LLVKDONJSA-N	317.366	3.797	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](c2ccccc2)C(C)C)cc1	817915156	DXFFBPZLMAGZAQ-SFHVURJKSA-N	312.413	3.968	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(SC)s1	840719381	KBNBRHBYNCETRH-DHZHZOJOSA-N	301.458	3.549	50	20	DHGD	
CCCN(N=Cc1cc(COC)cs1)C(=O)OC(C)(C)C	853344248	IXSYRTCAPNBGIJ-UHFFFAOYSA-N	312.435	3.876	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2ncc(F)cn2)C1	853896606	FMXOMXWFIYCTAT-CYBMUJFWSA-N	311.477	3.606	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NC[C@]1(C)C[C@H]1Br	857395690	ZAWFPZXJBYHQQY-YPMHNXCESA-N	316.626	3.552	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)C1CCCC1	862516382	QFKRBCZHIVENKL-UHFFFAOYSA-N	310.397	3.899	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=Cc1ccc(F)cc1	916345741	CSOKBJQFQPMHEL-UHFFFAOYSA-N	320.364	3.597	50	20	DHGD	
CCCn1cccc1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	918153817	PCIBDEFXEUKRMD-UHFFFAOYSA-N	313.445	3.565	50	20	DHGD	
CN(N=Cc1cccc(C(F)(F)F)c1)C(=O)OC(C)(C)C	920381207	MYVGUBNQTWTSHA-UHFFFAOYSA-N	302.296	3.906	50	20	DHGD	
CC(C)c1cc(NC(=O)[C@@]2(C)C[C@@H]2Br)ccc1O	922379770	KNPAUHCXHMGZPJ-JSGCOSHPSA-N	312.207	3.628	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1F	26762666	KVGUOUIHVLJEJG-UKTHLTGXSA-N	307.328	3.785	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)NNc1cccc(Cl)c1	30609586	FOOUWDXELXJXHP-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1	33377458	QNTMIOYOSPBKQS-QINSGFPZSA-N	302.381	3.703	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)ccc1C	33417503	FIHDLXVEQPKQMV-CXVAOBMSSA-N	312.413	3.606	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2Cl)cnc1Cl	92928196	RGNCFRKWZZOJGY-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1nn(C)c(NC(=O)CCCC[C@@H]2CCSS2)c1C	106853136	AQFXUJLBBQLSOS-GFCCVEGCSA-N	313.492	3.690	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1SCCc2sccc21	119157975	WFTKWCIESHRQGB-CQSZACIVSA-N	322.430	3.669	50	20	DHGD	
N#C/C(=C/c1c[nH]nc1-c1c(F)cccc1F)c1ccccn1	128831057	JUCURPARPDIBCN-FLIBITNWSA-N	308.291	3.814	50	20	DHGD	
CSCc1ccc(C(=O)NNc2cc(C)ccc2F)cc1	150856944	WVJYSDFYZFQHJK-UHFFFAOYSA-N	304.390	3.754	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cccc(OC3CCCC3)c2)c1	152416456	WIQINKQNZYDVDA-UHFFFAOYSA-N	321.380	3.637	50	20	DHGD	
CCOc1ccccc1C(F)(F)C(=O)NNc1ccc(C)cc1	156224725	IGJXIMSPSFGTEK-UHFFFAOYSA-N	320.339	3.629	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCn1ccc2ccccc21	184321723	ZHCWQVXZELPRLH-UHFFFAOYSA-N	311.360	3.622	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1sc(C(C)(C)C)nc1C	274646685	MHPVGNSSTODABB-UHFFFAOYSA-N	321.421	3.953	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](CC)c1ccncc1	282242083	FTMOFCKRJVXVKP-MRXNPFEDSA-N	312.417	3.730	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1ccsc1	490978098	VGDWUWMGIBJTCN-MJSCBBHESA-N	324.405	3.724	50	20	DHGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)c2ccc(N)cc2)cc1	741838611	XVXJEMWQFWMGKT-KRWDZBQOSA-N	307.397	3.631	50	20	DHGD	
Cc1cccc(C)c1CCNC(=O)/C(C#N)=C\c1ccc(F)cc1	752580196	XPVXXJFTXCRGCM-ATVHPVEESA-N	322.383	3.708	50	20	DHGD	
CC(C)Cc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)cc1	755033203	YYMUOGKHNHRNRM-GZTJUZNOSA-N	308.381	3.701	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2coc(-c3ccccc3)n2)cc1	755555944	TUIHDAAYOKVQEA-UHFFFAOYSA-N	319.364	3.668	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1nc(C2CC2)cs1	767323582	USZVMUXJFRBGDN-VIFPVBQESA-N	317.252	3.769	50	20	DHGD	
COc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)c(C)c1	767945811	COOIVQRCHQETJQ-GFCCVEGCSA-N	314.223	3.752	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(OC)c(OC)c1	769566332	COLGOHUDKDYHPH-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NNc2ccc(F)c(F)c2F)c1	769921223	UQRCCRJSCSLWBB-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
C[C@@H](CC1CCCCC1)NC(=O)NNc1cccc(C#N)c1	775227363	DMQLPGFTDUERPJ-ZDUSSCGKSA-N	300.406	3.543	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC2(CCCC2)CC1	781090504	LIEZEJSIBGFCMC-GFCCVEGCSA-N	316.283	3.979	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cn1	790100243	NSKLIGXDJLELJD-GZTJUZNOSA-N	311.429	3.983	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2ccsc2Cl)c1	790143143	AUAQKXHGVUASJV-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CC(C)(C)n1cc(/C=C(\C#N)c2ccc3ccccc3n2)nn1	790218066	FDIPTWYOFIPMIB-GXDHUFHOSA-N	303.369	3.645	50	20	DHGD	
CCC(C)(C)c1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	790600732	MKJGIUSWGCXQGZ-UHFFFAOYSA-N	321.421	3.935	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)CSc1ccc(F)cc1	791097662	PFYIOOVTGMDVFK-JTQLQIEISA-N	319.492	3.681	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	804179186	XAQNPRNJBSHXPJ-UHFFFAOYSA-N	315.417	3.535	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)c1c[nH]c2ccccc12	814699131	IVSPBWJEXFGIPV-UHFFFAOYSA-N	309.394	3.700	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(F)c(-c2cccs2)c1	814987735	AOGIEUAQZNDZLU-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1nc2ccccc2n1C	816578011	IXHIJAWVCCMNMN-AWEZNQCLSA-N	322.412	3.519	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1(c2ccccc2)CCCC1	817011222	KTPUTLDKFPWSPV-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
CCOc1ccc(NNC(=O)CCCc2ccsc2)cc1	817921370	UIHZWAXLPMWPGK-UHFFFAOYSA-N	304.415	3.613	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C2CCC(CC2)[C@@H]1C(F)(F)F	819533363	JRSVXSNMNDCYNB-SZLYAYFLSA-N	318.166	3.521	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Cl)c2)c(C2CC2)n1	836290897	JVONFLAFDUIJQS-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
C[C@H](CSCc1ccccc1)C(=O)N(C)CC(Cl)Cl	848082189	BSGMJHQMJCGSAL-LLVKDONJSA-N	320.285	3.818	50	20	DHGD	
O=C(C[C@@H]1C=CCC1)NNc1nc2ccc(Cl)cc2s1	856233789	APGOYBLNHADWBP-SECBINFHSA-N	307.806	3.749	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCC2CC2)c(C)n1CCC(C)C	905256417	JGXPNICGLYFQHK-VCHYOVAHSA-N	313.445	3.584	50	20	DHGD	
N#CSCCCNC(=O)c1c(Cl)cccc1C(F)(F)F	908032851	WURMAZIGMJGYHT-UHFFFAOYSA-N	322.739	3.693	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(O)c(Cl)c1	916662006	QIPKPMZMYRVQGE-UHFFFAOYSA-N	303.749	3.510	50	20	DHGD	
CC(CCc1cccc(F)c1)=NNC(=O)Cc1ccc(F)cc1	920368121	UDGSOISLMPEPGE-UHFFFAOYSA-N	316.351	3.632	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2nccnc2C(C)C)s1	935678838	MPXZMGBUDJQCSE-UHFFFAOYSA-N	318.446	3.617	50	20	DHGD	
CC(C)c1oc(-c2ccccc2)nc1C(=O)NNc1ccccn1	1116496510	INXNCUDIGQQLOY-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
CO[C@H]1Cc2ccc(NC(=O)c3cccc(CCl)c3)cc2C1	1120633604	SBKKXZUCVIJNRM-KRWDZBQOSA-N	315.800	3.791	50	20	DHGD	
CSc1ccccc1C(C)=NNC(=O)c1ccccc1F	1256568288	WXIDKOOZWUDOFY-UHFFFAOYSA-N	302.374	3.702	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(-c2ccccc2)s1	1318021218	DHHOGUKWWSFLRO-UHFFFAOYSA-N	301.415	3.848	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@H]2CCC[C@@H](C)C2)cc1Cl	1321768893	OQMAHSLSGXIMLO-RISCZKNCSA-N	310.825	3.687	50	20	DHGD	
O=C(C[C@@H]1CCCN1C(=O)C1CCC(Cl)CC1)c1ccco1	1528023299	IVAPAIQMZSHEJA-RUXDESIVSA-N	323.820	3.641	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045147	WGMXAVANLYUZCG-NSHDSACASA-N	317.389	3.709	50	20	DHGD	
CCCN(N=Cc1cccc(F)c1C(=O)O)C(=O)OC(C)(C)C	1776059135	LWPOADNNELLUCQ-UHFFFAOYSA-N	324.352	3.505	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C\C(=O)O)o1)c1nccc2ccccc12	1777566082	KPDUKJQYHBOPBV-LMEHAKNHSA-N	316.316	3.990	50	20	DHGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1ccccc1	1689429	DVRPCCKVVMFGSD-UHFFFAOYSA-N	300.361	3.869	50	20	DHGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)NCc1ccco1	5069144	LLPLVGNZSKOBIZ-XYOKQWHBSA-N	320.270	3.522	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)c3ccccn3)c2C)no1	32534498	XILWMFPPTOIBIO-MHWRWJLKSA-N	304.353	3.850	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)Cc2ccoc2)cc1	102370076	PUKIAPZWCAKLAO-BOPFTXTBSA-N	324.380	3.634	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1)C(=O)c1ccc(Cl)s1	126610484	FYVUVPBONYFKKE-XFFZJAGNSA-N	317.753	3.890	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2nc(C(F)(F)F)cs2)C1	152877049	ZEHYBYWHXIWJPE-RKDXNWHRSA-N	321.368	3.821	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccccc2F)cc1	153138844	YDUBMXWCJKUSBJ-UHFFFAOYSA-N	302.349	3.760	50	20	DHGD	
CC[C@@H](C)[C@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	155709536	UKXYTUZKKNVGSG-KDOFPFPSSA-N	307.397	3.831	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2c[nH]c3cc(C)ccc23)c1	159151619	XQKDTLHKQUCHTN-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
O=C(CCCc1csc2ccccc12)NNc1ccncc1	180460088	FUNIOBCDKKZRPO-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
CCc1ccc(-c2ccc(C(=O)NNc3ccncc3)o2)cc1	180526402	IABBYIOBSBDTMR-UHFFFAOYSA-N	307.353	3.661	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(Br)c1)C(=O)c1ccco1	212656012	OKYBPQFJNFOPBI-POHAHGRESA-N	320.117	3.971	50	20	DHGD	
C/C(=C\C(=O)N1CC=C(C#N)CC1)c1ccc(C(F)(F)F)cc1	270882599	AVMYDMKZAIHCKQ-ZRDIBKRKSA-N	320.314	3.791	50	20	DHGD	
Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC=C(C#N)CC1	272720395	ZHPPCEDRAOWTMQ-HNNXBMFYSA-N	311.429	3.601	50	20	DHGD	
Cc1cccc(CCNC(=O)CCCC[C@@H]2CCSS2)n1	280131412	SQLDDXBUDSIECQ-OAHLLOKOSA-N	324.515	3.763	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C)c(C(C)=O)c1	281692291	GCICRJJWYOXUSZ-UHFFFAOYSA-N	310.397	3.825	50	20	DHGD	
CCCCC[C@H](C)NC(=O)NNc1ccc2c(O)nccc2c1	287318259	ONCRNIYSNMIFLX-LBPRGKRZSA-N	316.405	3.535	50	20	DHGD	
CN(N=Cc1ccc(Br)cc1)C(=O)OC(C)(C)C	383695609	BCHDIUJISOZFLC-UHFFFAOYSA-N	313.195	3.650	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cc(F)ncc1F	490938740	FYBYYEXBAVOYKU-AWNIVKPZSA-N	313.307	3.522	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1sccc1Cl	491161606	PBZZAOUCMZJKRX-CSKARUKUSA-N	318.785	3.956	50	20	DHGD	
CCOC(=O)NN=C(C)c1sc(-c2ccc(C)cc2)nc1C	727650721	ROJVFOPDAJGSLO-UHFFFAOYSA-N	317.414	3.897	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc2ncccc2c1	727689552	TYYAOSOTZCZRET-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)CCc1ccccc1O	729934721	OROSRXZGUIUOQO-CQSZACIVSA-N	302.418	3.787	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)CCc3ccccc3)c2c1	735614454	YTPOSCBELJZRSI-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
O=C(NN=C1CCc2cc(Cl)ccc21)c1c[nH]c2ccccc12	743421186	QPAQJNJPJHABBA-UHFFFAOYSA-N	323.783	3.902	50	20	DHGD	
C#CCCCNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	745899568	CCFIWAMNBKLRHR-UHFFFAOYSA-N	320.607	3.686	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2ccccc2C2CC2)cc1C	751130611	FCJJCMCXOOIYIH-UHFFFAOYSA-N	322.408	3.710	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	761384098	DVWATBFKBOVWMQ-CSKARUKUSA-N	316.348	3.980	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC2CCC(F)(F)CC2)c(C)c1	761776460	PXLVOXOUONMKTO-UHFFFAOYSA-N	311.376	3.816	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1nc2ccc(F)cc2s1	761776986	GDCXKZBHIMKZTL-UHFFFAOYSA-N	313.357	3.508	50	20	DHGD	
CC(CC1CCC1)=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764809145	IEGQRLGZZCXSKA-UHFFFAOYSA-N	314.364	3.512	50	20	DHGD	
CCC[C@H](C=NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	769566845	IUBUPPBIOIHVKW-MRXNPFEDSA-N	324.380	3.715	50	20	DHGD	
CC(C)C(=O)NNC(=O)Nc1c(C(C)C)cccc1C(C)C	770331076	FFULCMHEDZBVRX-UHFFFAOYSA-N	305.422	3.742	50	20	DHGD	
C[C@H](CBr)COC(=O)C(C)(C)c1ccc(F)cc1	770368785	ZGGGWLJBOCRHHW-SNVBAGLBSA-N	317.198	3.678	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1CC[C@@H](C)C1	776489415	ZERXZSGFDBDKSY-KOLCDFICSA-N	311.223	3.637	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc4ccccc4n3)cc2c1	777463598	ZTTGVQHSMHTRJD-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1F	779753972	ZINLBPJJKDDNDJ-GXDHUFHOSA-N	310.328	3.770	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)NC1CCCC1	780005585	SWMLTHPPNDRQCD-RAXLEYEMSA-N	318.804	3.704	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc2cnccc2c1	782221337	LPFMPOVMLIRFCE-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)CCc1ccccc1F	791100854	ZOLAHFDOBYQJRT-NSHDSACASA-N	301.452	3.522	50	20	DHGD	
C=C(CBr)CN[C@H]1CCC[C@H]1Cc1ccccc1	791543392	NXEVHDNMSLJXFY-HOTGVXAUSA-N	308.263	3.939	50	20	DHGD	
CCSc1cccc(NC(=O)NNc2ncccc2C)c1	792307353	MOJVROAGLFRNCR-UHFFFAOYSA-N	302.403	3.651	50	20	DHGD	
CC(C)(C#N)c1ccc(C(=O)NNc2ccc(F)cc2F)cc1	793706651	NPAFYFINVIVKOQ-UHFFFAOYSA-N	315.323	3.523	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)C)on1	794953731	LHHQFVUWIPTTAR-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
CCCN(N=C1[C@H]2CCCO[C@H]2C1(C)C)C(=O)OC(C)(C)C	794997563	YGXPMMGMIKGQTA-TZMCWYRMSA-N	310.438	3.825	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccccc1NC1CCCCC1	795333165	VDPBYFYDOGJUEH-UHFFFAOYSA-N	324.428	3.892	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2c(C)cccc2CC)cc1	799758633	URDIUPZVUCDMOC-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC[C@H](C)C2)c(C)n1-c1ccccc1	814703983	JCUBQLNHKAPKCE-ZDUSSCGKSA-N	309.413	4.000	50	20	DHGD	
C[C@H](C=NNC(=O)COCc1ccccc1)C1CCCCC1	814855532	OZJMLLYJRNMGMI-OAHLLOKOSA-N	302.418	3.522	50	20	DHGD	
C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NN(C)C1CC1	819647900	TUXUNKKDTCZSPL-MRVPVSSYSA-N	319.257	3.599	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Cl)c2)c(C(C)C)n1	822363075	QYTPWTNYYXAXQJ-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)OCC(F)(F)F	853431102	WKJUQUURCWFODM-UHFFFAOYSA-N	302.296	3.592	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2nccnc2C2CCC2)c1	854459293	HJFBFILYWMYDCJ-UHFFFAOYSA-N	310.401	3.624	50	20	DHGD	
Cc1cccc2cc(C(=O)NC[C@]3(C)C[C@@H]3Br)oc12	857403814	UUHLZCMEEPOZDG-WFASDCNBSA-N	322.202	3.645	50	20	DHGD	
C[C@H](NNC(=O)CC1CCC(C(C)(C)C)CC1)C(F)(F)F	862314393	AKFRRBXNXXLTPX-UNXYVOJBSA-N	308.388	3.801	50	20	DHGD	
Cc1ccccc1NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	865483698	VRPIKOCLDDVBIC-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
Cc1ccc(NC(=O)[C@]2(C)C[C@H]2Br)c(Cl)c1	905047524	DYRALYFPGWLRBU-ZYHUDNBSSA-N	302.599	3.760	50	20	DHGD	
CCCCCCC(C)=NNC(=O)Cc1nc2ccccc2n1C	917572495	XYOLJNGHGIGJJQ-UHFFFAOYSA-N	314.433	3.578	50	20	DHGD	
CCC(=O)NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1	921253586	PVYMFKOOFHZXQT-UHFFFAOYSA-N	304.296	3.617	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C)nc2C(C)C)cc1	1330634165	IBMVDVXAJHOKFO-UHFFFAOYSA-N	313.401	3.669	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(F)cc(C(=O)O)cc1F	1776708263	YPTRXBRRBVZCAC-VZUCSPMQSA-N	307.296	3.575	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccccc2C)cc1	5112095	IOFNGIGTPVVIEG-GZTJUZNOSA-N	307.349	3.654	50	20	DHGD	
COc1ccc(OCC(=O)NN=C(CC(C)C)CC(C)C)cc1	6684561	JDULNIBSSXFTBY-UHFFFAOYSA-N	320.433	3.638	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	17398252	PNOBAOXJNZCMSO-UHFFFAOYSA-N	324.446	3.577	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	27122412	PNUACJTVOIQSFT-RQZCQDPDSA-N	317.348	3.623	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2ccoc2C)cc1	56252168	ATBVFKIVQAXBEH-GZTJUZNOSA-N	324.380	3.552	50	20	DHGD	
CN(Cc1cc(Cl)cn1C)/C(=C/C#N)c1ccc(F)cc1	120065062	HTYBBRWCAKKQJU-FRKPEAEDSA-N	303.768	3.814	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccc(Br)cc2)C1	175221019	DMRINOIUSVIJGF-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	179610230	LSUFOEFKITZINI-KPKJPENVSA-N	300.720	3.972	50	20	DHGD	
COc1ccc(NNC(=O)C[C@H](C)Cc2cccc(F)c2)cc1	267010279	OGKCJHJPXAVEDT-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1scnc1C1CCCC1	274283241	ZAYBWVWUNSLOQK-UHFFFAOYSA-N	322.821	3.606	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cncc(Br)c1	274350256	SDACIEQTKLYUNI-WCIBSUBMSA-N	307.191	3.756	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)c1	278485175	GINMBMKXRODDDW-VXGBXAGGSA-N	306.818	3.957	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H]2C[C@@H](C)CC(C)(C)C2)c1	294047347	XZFXFKIWOINFRF-TZMCWYRMSA-N	317.433	3.551	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccc(Cl)s2)cc1	373270346	JQBDXUAEZKIGGO-VXGBXAGGSA-N	317.801	3.520	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1sccc1C	588386629	PCVLFHONNACGPW-XFXZXTDPSA-N	313.378	3.864	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1cccc(F)c1	588597632	REHJXWSNRPAPFR-YFHOEESVSA-N	302.286	3.585	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cccc2ncccc12	730146481	YBJQFQWIQSQVPE-OEUWWYETSA-N	319.408	3.777	50	20	DHGD	
CCCCN(C(=O)NNC(=O)C(C)(C)C)[C@H](C)c1ccc(C)o1	731499019	GSVXACHZFSDBFL-CYBMUJFWSA-N	323.437	3.538	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3cc(F)c(F)cc3F)cc2c1	734553222	DDXMYMFAWYSFLL-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2cc(F)c(F)c(F)c2)C1	746701050	GCXAFEXWYABQBC-VHSXEESVSA-N	300.324	3.763	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)CCc1cccc(F)c1	748562368	HBOONUVGUILEQB-GFCCVEGCSA-N	318.367	3.985	50	20	DHGD	
CC[C@H](C)Oc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OC	749452999	QRSMFUKINHKJTD-NCPSJORJSA-N	317.385	3.731	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1ccc(-c2ccccc2)o1	755870876	AENOCGAKOADZTI-UHFFFAOYSA-N	320.348	3.806	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C(C(C)C)C3CC3)n[nH]2)c1	764788925	BSHFXDRBWCOIOK-UHFFFAOYSA-N	324.428	3.845	50	20	DHGD	
O=C(NC[C@@H](c1ccccc1)C(F)(F)F)NNc1ccccc1	777281678	SJXMHWLXSZAFKE-AWEZNQCLSA-N	323.318	3.659	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](F)Cc1ccccc1	778423952	ZDBXTCFMLBYEAL-MRXNPFEDSA-N	323.371	3.567	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccccc2Br)C1	782016711	JJJCILFOFIXDAA-SNVBAGLBSA-N	311.223	3.719	50	20	DHGD	
O=C(CCc1ccccc1)NN=C1CCC[C@H](C(F)(F)F)C1	783514127	ZJICIYDXVFNWJM-ZDUSSCGKSA-N	312.335	3.844	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)NCCCCC1CCCC1	787394674	RKNJWQBIJSIURL-LGMDPLHJSA-N	312.413	3.776	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)C1CCCCC1	790222465	RBYUZBVZCKIECX-SSZFMOIBSA-N	305.381	3.929	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791076420	PKZPLFMQGYHGNM-GFCCVEGCSA-N	323.368	3.784	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccccc1OC(C)C	797344139	VODANCKSAWAVLT-VBKFSLOCSA-N	300.402	3.687	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1cc(Cl)ccc1O	797400492	CZQNBAZGPCKQBV-QWRGUYRKSA-N	308.809	3.978	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1cccc2c1CCO2	797671062	FCYAETHBCAXYFC-UHFFFAOYSA-N	321.739	3.563	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1nc2c(s1)CCC2	799382051	UCQPWFBWBSFOFF-UHFFFAOYSA-N	316.430	3.651	50	20	DHGD	
Cc1cc(F)cc2c1CN(C[C@@H](C)CBr)CC2	800472333	LTKFWJCMIWZUDJ-JTQLQIEISA-N	300.215	3.523	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NNC(=O)c3ccccc3)c2c1	804145882	QVAXRECDQGKEBM-UHFFFAOYSA-N	322.364	3.631	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc2[nH]c3c(c2c1)CCCC3	808131074	GRMYIVMGOPKSDD-UHFFFAOYSA-N	311.212	3.580	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1OCCc2ccccc21	812765407	HNDIESIVKZQVHZ-IBGZPJMESA-N	324.424	3.876	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(O)cccc1F	812768006	AHUPWRPJZTWYJJ-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccn2ccnc2c1	812976457	SNGNXOCLDGUIFI-UHFFFAOYSA-N	323.400	3.915	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCOC1	814995139	CCVFNESAVCPMQN-SECBINFHSA-N	316.188	3.527	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(O)c(C)c1	815005279	TUEGKFNYPRAEJC-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCC[C@@H]1c1ccccc1	825745992	BEUVIRVXWNFLMO-CABCVRRESA-N	316.351	3.992	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)n2nc(C)cc2C)c(Cl)c1	836937233	ABDVNPCYIVOSCD-ZDUSSCGKSA-N	320.824	3.556	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(C)cc2Cl)cc1C	836938033	VWGHBDITQSGJDB-LLVKDONJSA-N	320.824	3.881	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2ccc(Cl)cn2)c(C)s1	851953003	VGZGNRXWXUNLNU-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2ccnc(Cl)c2)cc1C	855462528	XKHIYBYTVFMGRU-LSDHHAIUSA-N	315.804	3.599	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C1CC2(CCC2)C1	856236237	DBVXZVVIXMPUHV-UHFFFAOYSA-N	321.833	3.973	50	20	DHGD	
C[C@H](C(=O)OC[C@@H](C)CBr)c1ccc(F)cc1F	1321295293	XERXDOUXLVVIKC-IUCAKERBSA-N	321.161	3.643	50	20	DHGD	
Cc1[nH]c2ccccc2c1C1CCN(C(=O)[C@H](F)Cl)CC1	2088605660	KKUQUGNZZLFOEW-HNNXBMFYSA-N	308.784	3.717	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(F)cc2F)cc1	7167634	OTPFZHUEQPBACM-OVCLIPMQSA-N	319.332	3.612	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cccc(-n2cccc2)c1	30612783	UGCUICOXQPAAOI-UHFFFAOYSA-N	311.772	3.888	50	20	DHGD	
CC[C@H](C)CN(C)S(=O)(=O)c1ccc(CCCCl)cc1	96478215	KYIBCHUSGVGYMA-ZDUSSCGKSA-N	317.882	3.525	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)oc1C	105605015	IEGMBPPJKTVVFP-WDZFZDKYSA-N	315.350	3.534	50	20	DHGD	
Cc1ccccc1-c1nc(C(=O)NNc2ccccc2)cs1	111553811	OYYGIWFRCKVYFY-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)c1	127060322	FHGBHTDBSTZYEB-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CN(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	153686449	FIWLFGKSJPNNND-UHFFFAOYSA-N	323.318	3.528	50	20	DHGD	
COCc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	153782145	RUITXNORIZJSTK-UHFFFAOYSA-N	324.302	3.609	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc(SC)ccc2C)c1	157508369	UGHVVKNKCQSTDQ-UHFFFAOYSA-N	320.389	3.622	50	20	DHGD	
COCc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	182085808	TXYSJZAGZGSCIG-DHDCSXOGSA-N	310.328	3.518	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)NNc3cccnn3)CCCC2)cc1	184787688	TZLUJXAJPDVTHD-UHFFFAOYSA-N	324.428	3.555	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(OCC(F)(F)F)cc1	188975649	WVBCKRFAMGVKTH-AWEZNQCLSA-N	316.323	3.673	50	20	DHGD	
CCC1=C(C(=O)NNc2ccc(C(C)(C)C)cc2)CCCO1	190096386	TUFILDHNLSDTIQ-UHFFFAOYSA-N	302.418	3.902	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(OCCC)c1	192098224	QAYIQZSFRQRVMJ-FOWTUZBSSA-N	307.415	3.555	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1	192098940	MIRSWAFEVFCUNX-XFFZJAGNSA-N	301.770	3.558	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCC[C@H]2C)c1C	212382992	JAGVHZRPXMZNBM-CRRKTRLDSA-N	313.445	3.823	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc2c(O)nccc2c1	285750606	QGCRIZBPXMWYEN-GFCCVEGCSA-N	313.401	3.600	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H](c2ccccc2)C1	588429977	DDYTUNIDOONHCO-KMTKGMGQSA-N	320.367	3.749	50	20	DHGD	
CC(=O)NN=C1CCCc2nc(-c3ccc(Cl)cc3)sc21	728427632	TYTSJIAEPAQPPO-UHFFFAOYSA-N	319.817	3.640	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(O[C@H](C)C#N)cc1	728700793	XEHZTPRTOVYELB-CDCQXCROSA-N	306.321	3.669	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1ccccn1)c1ccc(F)cc1	734296933	WKSLZILHGLMKND-UHFFFAOYSA-N	313.376	3.791	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H]1CCCc2ccccc21	734553761	YAISPDBXZZUBAP-LBPRGKRZSA-N	320.314	3.667	50	20	DHGD	
O=C(NCCCC1CCCC1)NNc1cc(F)c(F)cc1F	734658062	OQGSTYBNULMBJK-UHFFFAOYSA-N	315.339	3.700	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cnnc2ccccc12	735331751	PVUULOCEEHPBHS-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@@H]1Cc1ccccc1	735615928	SULSRSBFWZCZIV-MRXNPFEDSA-N	322.408	3.824	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@H]2CCC[C@H](C)C2)c(Cl)c1	743825477	NIXAAFYAJQPTEZ-JQWIXIFHSA-N	323.824	3.627	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC2(C)C)c1C	747398981	BTBBARFBUYQOKC-SFQUDFHCSA-N	313.445	3.823	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)NC1CCCC1	753683559	VEUAXCGGXJEBRV-XFFZJAGNSA-N	309.196	3.959	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2cccnc2Cl)cc1	754480174	MFHGILWIVVECFZ-UHFFFAOYSA-N	317.820	3.900	50	20	DHGD	
O=C(NN=CCCc1c(F)cccc1Cl)c1ccccc1	755466157	XHLFGFFDTOOZLO-UHFFFAOYSA-N	304.752	3.828	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCC[C@H]2CCCCO2)c(C)c1	761036314	GKMKOFQEPQYJGJ-MRXNPFEDSA-N	319.449	3.587	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C)nc2)c1C	764889038	UUMLKNZDOUYYMO-YVLHZVERSA-N	305.381	3.784	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)O[C@H](C#N)C1CCCCC1	766747372	XUZITBUQDIJGRF-VXGBXAGGSA-N	316.239	3.812	50	20	DHGD	
CC12CC3(C)CC(C)(C1)CC(C(=O)NNC(=O)C(C)(C)C)(C2)C3	772189682	GXOMCVDEHBQZIC-UHFFFAOYSA-N	320.477	3.567	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)CNc1ccc(C)cc1	774320601	QULLTBVWFIKCMX-UHFFFAOYSA-N	315.339	3.632	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@@H](C)[C@H]2C)cc1OC	781122300	SDLYQXMAVZFZAK-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
Cc1cc(C=NNC(=O)CCc2ccccc2)cc2cccnc12	783840657	NBYQSHCIJCQDTP-UHFFFAOYSA-N	317.392	3.626	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1nc2ccc(OC)cc2s1	788688093	IXGKYMNQLLLSJF-QBQSQJOESA-N	300.383	3.827	50	20	DHGD	
COc1cc(NNC(=O)N[C@H]2CCCC2(C)C)ccc1Cl	789062543	HFJNJDARCOPMQY-ZDUSSCGKSA-N	311.813	3.553	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1cc2c(s1)CCC2	790146327	UQQCZWUSKAMHEN-UHFFFAOYSA-N	310.831	3.716	50	20	DHGD	
COc1cc(NNC(=O)CSCCC(C)C)ccc1Cl	790170381	KNVRDRXALJBLGN-UHFFFAOYSA-N	316.854	3.571	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(Cl)c(OC)c1)c1ccccc1	790179624	YMVMBDWBALQPDK-CQSZACIVSA-N	318.804	3.986	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](c1ccccc1)C1CCC1	791019477	KIXGBBIHVASTFC-INIZCTEOSA-N	310.401	3.558	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc2c(c1)CCCC2	792889678	IXQWZVNRUNGBDY-SFQUDFHCSA-N	303.427	3.645	50	20	DHGD	
O=C(CCc1ccccc1)NN=C/C=C\c1ccc(F)c(F)c1	794906617	VGIWDCJFHJFJGJ-PRZHPYSASA-N	314.335	3.713	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)C1CCOCC1	794952932	JCERSGBNWUCDGD-KPKJPENVSA-N	310.180	3.896	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(Br)nc1	795094380	HEBKUSIHCYBXAD-CYBMUJFWSA-N	314.227	3.504	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Br)c1)c1ccco1	814857847	ZMWKTQDMBUVMDA-UHFFFAOYSA-N	321.174	3.586	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC/C=C\c1cccnc1	816739061	VFBGCWKPYAXCBT-VOKGJARPSA-N	322.499	3.925	50	20	DHGD	
CNc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	816916983	WNYWBKFWGHDPQX-UHFFFAOYSA-N	309.291	3.504	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOC[C@H](C)CC)c1C	816978823	CAOIZBJBQQYUKW-OMJMQIJPSA-N	317.433	3.516	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@@H]1CCCC[C@@H]1C	834932945	IFOUOPJBIMZVAS-GXFFZTMASA-N	308.809	3.978	50	20	DHGD	
CC(C)(CC#N)CNC(=O)NNc1ccc(Cl)cc1Cl	838755057	JUACJJHCFNLNJD-UHFFFAOYSA-N	315.204	3.559	50	20	DHGD	
CC[C@H](CC(=O)N(C)CC(Cl)Cl)c1ccc(OC)cc1	848082773	WWELFBVUQAEAHS-LLVKDONJSA-N	318.244	3.841	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849244450	BLEJEWYFTYYASR-XMDNHAFTSA-N	313.397	3.767	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)NC[C@@]1(C)C[C@@H]1Br	856808580	APJGLKIADOCNOL-DDTOSNHZSA-N	300.215	3.520	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc([C@@H]3CCCN(C)C3)c2)c1	856848084	AHXCPQJAQZFQOL-GOSISDBHSA-N	323.440	3.561	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC(C(F)(F)F)CC2)c1	863155347	GZUHCECMCMCBMO-UHFFFAOYSA-N	304.337	3.895	50	20	DHGD	
Cc1cc([C@H](C)NS(=O)(=O)CC(C)(C)CCl)c(C)s1	866472621	BZSMTRUQXPHTGP-JTQLQIEISA-N	323.911	3.610	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(F)cc1F	915972152	IHQSVUCINGCWSL-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cccc(C(F)(F)F)c1	916248812	OKZIKWQFFURWTL-UHFFFAOYSA-N	306.287	3.859	50	20	DHGD	
Cc1cnc([C@H](C)NC(=O)NNc2ccc(Cl)cc2C)s1	921347444	OWPWGIWQYVBUMG-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
CON(C)CCNCc1cccc(S(F)(F)(F)(F)F)c1	922246859	MGGXMKFBSZRSGQ-UHFFFAOYSA-N	320.327	3.927	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H](C)c2c(C)noc2C)ccc1Cl	928341051	MEZBBYBKGSEFET-VIFPVBQESA-N	307.781	3.500	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@H]2C1	1317727913	RUVODJONKIVNFI-CXHWHCGNSA-N	311.385	3.971	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(F)c1)c1nc(N)c2ccccc2n1	1317817564	PLWOKPBPJHTCTN-XFFZJAGNSA-N	308.291	3.554	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc(C)c1O	1317874256	MYNIYZBFZCBMQP-NTEUORMPSA-N	316.364	3.599	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2n[nH]c3c2CCCC3)CC(C)(C)C1	1319926919	FIPMFSBAJGRKPQ-UHFFFAOYSA-N	316.449	3.611	50	20	DHGD	
Cc1ccc(NNC(=O)CCCC2CCCCC2)cc1C(=O)O	1600462217	GQIXUAAQGSCWEJ-UHFFFAOYSA-N	318.417	3.887	50	20	DHGD	
Cc1cccc(NNC(=O)CC2(CC(=O)O)CCCC2)c1Cl	1600542600	RKZOGWYPJNYGMG-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(C(=O)O)c(F)c1	1777477256	QYGBUUVAXZOXIB-WDZFZDKYSA-N	315.325	3.684	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccn(C(C)C)n1)c1ccccc1	2088595986	CPQJWYAWXOCJTD-QIPRVMPFSA-N	322.412	3.638	50	20	DHGD	
COCCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	7351558	AQPPNEWJBMWNPT-SDNWHVSQSA-N	313.378	3.512	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Br)cc2)cc1	120452110	CROJEUOACQSOOU-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(CSc1ccccc1Cl)NNc1cccc(F)c1	154062706	GJJGJPXEUIIQMM-UHFFFAOYSA-N	310.781	3.715	50	20	DHGD	
Cc1cc(Br)ccc1C(=O)NNc1cccc(F)c1	154467139	WPZXZZOVIQUELQ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCc1ncccc1F	156825008	UOHVHVWTJXTSDX-NSHDSACASA-N	314.451	3.551	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1cc(C)cc(C)c1	158611225	PUTISORGIKVOSH-NTCAYCPXSA-N	310.397	3.859	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2cc(C)cc(C)c2)cc1	158669663	AHXAYDOEFQXGJQ-HNNXBMFYSA-N	312.413	3.949	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2cc(C)ccc2C)cc1	159280654	IECFMBGTKVSAIO-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CC(C)(C)O[C@@H](C(=O)NNc1cccc(F)c1)c1ccccc1	161091250	PZUZFOBVYRKWFJ-MRXNPFEDSA-N	316.376	3.825	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccncc1	162116070	ADZLAZSNUMBPPR-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2ccccc2C(F)(F)F)cc1	163124458	AFFBZFXWYXVMAZ-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(-c3csc(C)n3)c[nH]2)c1	171522613	VSGZYFRTCXOSRC-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
CC(C)[C@H](C(=O)NNC(=O)CC(C)(C)C)c1cccc(Cl)c1	175262076	FOVGMDUNDZOGRN-HNNXBMFYSA-N	324.852	3.663	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(OC(C)C)cc1	192099166	PEALUNCSNLNCMO-WJDWOHSUSA-N	307.415	3.553	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2cccc(Cl)c2)cc1	192894063	IVESDJIGQIVNKB-UHFFFAOYSA-N	303.749	3.691	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1OC	194533872	IAAHKGPXDTVLEA-RIYZIHGNSA-N	311.312	3.633	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(F)cccc2F)cc1	213364117	QFYDVLPBXYQQMM-LUAWRHEFSA-N	314.291	3.519	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccc(F)cc2)[C@@H]1[C@H]1CCCO1	289980137	XTRIZTPSYSHTKS-DKXBRRKKSA-N	300.377	3.580	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCc1ccc(C)s1	290456886	IXUHNJHIINRSQX-UHFFFAOYSA-N	321.354	3.512	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2CCCc3ccccc32)cc1	293802147	BQFSMKYOCMMODR-GOSISDBHSA-N	310.397	3.649	50	20	DHGD	
CCCN(N=Cc1ccccc1NC(C)=O)C(=O)OC(C)(C)C	495811728	VGCMBDJDVWNKMI-UHFFFAOYSA-N	319.405	3.626	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)Cc1c[nH]c2ccccc12	729636529	KYGFRKSLENLBNY-UHFFFAOYSA-N	311.410	3.507	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(Oc2ccccc2)c1	730940924	NUWOUODWTJPGFP-YPKPFQOOSA-N	308.337	3.861	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1	734365483	IRVIUXDRPSJVQT-UHFFFAOYSA-N	321.327	3.658	50	20	DHGD	
Cc1nc(C)c(C=NNC(=O)Cc2cccc3ccccc23)s1	736430013	LXFRGFNZSOHOSQ-UHFFFAOYSA-N	323.421	3.606	50	20	DHGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)c1ccc([N+](=O)[O-])cc1	737442334	CIBSKLCDDYBSPN-KPKJPENVSA-N	324.727	3.960	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)c1nc2c(C)ccnc2[nH]1	741469813	MWYOTYVZHTWRFB-ZROIWOOFSA-N	304.353	3.648	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	745390191	DOMLMQXPZUXYQJ-RWMBFGLXSA-N	322.840	3.720	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)NNc2ccc(Cl)nc2)c1	745811100	UCKNNCZJOXUQOT-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@H]2C(C)C)cc1OC	747742069	RNJXSNMBNIOMGV-AWEZNQCLSA-N	318.417	3.636	50	20	DHGD	
C=CCCC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)C1CC1	747744743	SAIJKWHAAJIORX-UHFFFAOYSA-N	308.385	3.539	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccnc(Oc2ccccc2)c1	749163560	FIRBZDBJAXUKME-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(Cl)cc2)CCc2ccccc2C1	749274128	FVYQBJNSGYBPSN-GOSISDBHSA-N	314.816	3.978	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1cccc(Cl)c1	749340473	LTHSXGGTVYVKIT-INIZCTEOSA-N	318.804	3.949	50	20	DHGD	
CCC(=NNC(=O)COc1ccccc1OC)C1CCCCC1	750919089	FCYJJTPPCKTBRH-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1c(O)cccc1Cl)c1ccccc1	755721807	LNGAFTZTSZDRBF-ZDUSSCGKSA-N	316.788	3.690	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(/C#N)c3ccncn3)s2)cc1	758916453	QXIZVHVMCZJHEO-ZSOIEALJSA-N	304.378	3.973	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CC[C@H](C)[C@@H](C)C2)cc1OC	767366380	DPBZUUAZQGKSCJ-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)c1occc1C	767767687	LOXNEISRGXVLLR-UHFFFAOYSA-N	322.364	3.660	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(F)cc1C(F)(F)F	770015365	VKHUDOUMPRBOPE-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
CC(C)Oc1cccc(CN(C)C[C@H](C)CBr)c1	770665999	SWWISUOBIQTFKX-CYBMUJFWSA-N	314.267	3.937	50	20	DHGD	
C#CC[C@@H](NC(=O)NNc1c(C)cccc1F)c1ccccc1	771345925	WVBBTUIBMHDRRB-MRXNPFEDSA-N	311.360	3.525	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	774182269	XIXBCIQBTFEUFL-BFHYXJOUSA-N	320.408	3.884	50	20	DHGD	
Cc1noc(C)c1NC(=O)NNc1c(Cl)cccc1Cl	775585459	DDWSQZGODMROIB-UHFFFAOYSA-N	315.160	3.747	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C1CCCC[C@H]1CC	779760323	VCGVCRPKAHVVIQ-CQSZACIVSA-N	318.417	3.537	50	20	DHGD	
N#C/C(=C/c1cccc(-c2ccccn2)c1)C(=O)C1CCOCC1	794957189	DBSJIZZZXGKTHO-AQTBWJFISA-N	318.376	3.651	50	20	DHGD	
C=CC[C@H](C(=O)OCC(=C)CBr)c1ccccc1	795595612	WDZMQZJHRFJMLC-AWEZNQCLSA-N	309.203	3.841	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(c2ccccc2OC)CC1	799757210	YUCKRDOSDJTPBI-UHFFFAOYSA-N	324.424	3.741	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnc(Cl)c1	812761589	AXEDWMISKREQJT-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)COc2ccc(Cl)cc2Cl)C1	814688027	GDLYIYZKXAUNFO-VIFPVBQESA-N	315.200	3.664	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCCC23CCCC3)c(OC)c1	814840922	YTLNIYANHYPJEM-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1cccc(F)c1	815005908	AVGZWQRTTGKSMF-UHFFFAOYSA-N	307.275	3.650	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc2sccc2c1	817009513	NNHHHPOZSHPAGO-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(C)C(=O)NN=Cc1cnn(C2CCCC2)c1-c1ccccc1	817324029	NXODJPVFBKHRGO-UHFFFAOYSA-N	324.428	3.771	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@]12CCC[C@@H]1C2	826541392	PEHIBHNUWKSPMX-XLKFXECMSA-N	307.806	3.583	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NCc1cc(C(C)C)no1	838474877	URYZUTLDPRVLCK-UHFFFAOYSA-N	322.796	3.586	50	20	DHGD	
Cc1ccncc1[C@@H](C)NC(=O)NNc1ccc(C(C)C)cc1	838531700	AGFNJWJBCUZFLJ-CQSZACIVSA-N	312.417	3.901	50	20	DHGD	
CCCC(C)(C)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	844482478	QAEDIQRMLLZNHU-UHFFFAOYSA-N	302.330	3.875	50	20	DHGD	
CC1(C(=O)NNc2ccc(Cl)c(C(F)(F)F)c2)CCC1	846378023	ATCFHAZWNOGSKI-UHFFFAOYSA-N	306.715	3.992	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(O[C@H]3CCOC3)cc2)o1	849248961	BFHKQZHPLQIETN-MJSCBBHESA-N	323.348	3.546	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(C#N)cc1F	851924238	LNURRLTZMSMCSU-FZZIBODNSA-N	311.198	3.521	50	20	DHGD	
CC(C)c1ncc(CNC[C@@]2(C)C[C@@H]2Br)s1	856806865	ILTLTENECDYFMM-CMPLNLGQSA-N	303.269	3.530	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2cc(C)ccc2Cl)c1	857491702	VQNFPPIFDSPUCI-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(Cc1cccc(Cl)c1)CC(C)C	857739365	KFOGPLVYGPMSOK-QINSGFPZSA-N	320.820	3.769	50	20	DHGD	
O=C(CNc1ccccc1F)NN=C1CC[C@H]2CCCC[C@@H]2C1	915920175	OUUYDZGCSADFTR-ZIAGYGMSSA-N	317.408	3.700	50	20	DHGD	
CCC(=NNC(=O)COc1cccc(C(F)(F)F)c1)C(C)C	916294419	OMQMOLVUZAUIKJ-UHFFFAOYSA-N	316.323	3.622	50	20	DHGD	
O=C(COc1ccc(F)cc1)NN=C1CC[C@H]2CCCC[C@@H]2C1	916331201	HWUGVVKTBHXDLZ-ZIAGYGMSSA-N	318.392	3.667	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(C)cc(C)c2)cc1	921259479	URFXEEXYOQPRRD-WOJGMQOQSA-N	311.406	3.950	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)NCC1CCC(C#N)CC1	922349202	PJDHSJJVTJNIDU-UHFFFAOYSA-N	320.824	3.605	50	20	DHGD	
Cc1ccccc1C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1	1549080674	OCKGEZPPBSXWBM-RBUKOAKNSA-N	322.408	3.613	50	20	DHGD	
CC(C)[C@H]1CCCCCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776101230	XFUYUVHNWMXKLZ-OAHLLOKOSA-N	316.401	3.707	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)c(C(=O)O)c1	1776117868	KRNJMVZULMSAQW-OQLLNIDSSA-N	320.348	3.547	50	20	DHGD	
CC[C@@H]1CCc2c(sc3nc(CCCCl)[nH]c(=O)c23)C1	48412266	UINUFLQSHDJEPJ-SECBINFHSA-N	310.850	3.671	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)c(C)s1	85655580	JROBWDAPQAVPES-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	115184214	CUFQGDJTINEKJE-FLIBITNWSA-N	316.307	3.656	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCO2)C(=O)c1cc2ccccc2o1	128057999	IPYREBNEEVBMIF-ZSOIEALJSA-N	317.300	3.951	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2C[C@H]2c2c(F)cccc2F)c1	150829947	SEYSPJAVJSVMEM-GHMZBOCLSA-N	320.314	3.659	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1ccccc1Cl	158543666	QYNFPITZSATQBM-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1SCCc2sccc21	158566410	XIPMMOOONLWAPT-CYBMUJFWSA-N	324.858	3.875	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2cc(C)ccc2C)cc1	158988424	FHUXLXCRJMAXTP-OAHLLOKOSA-N	312.413	3.949	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(F)c(O)c(F)c2)s1	175326378	HVVOSIKPPJEIEN-WMZJFQQLSA-N	305.305	3.830	50	20	DHGD	
CC1(C(=O)NNC(=O)c2cc3ccccc3o2)CCCCCC1	181030767	QGMKMULLOBNBBU-UHFFFAOYSA-N	314.385	3.554	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2csc([N+](=O)[O-])c2)cc1	181144941	YDMZFFDDAFTGJP-UHFFFAOYSA-N	319.386	3.711	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc(F)nc2)cc1	184100096	OCCRERMXIVBVMX-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cc(F)c(F)cc2F)cc1	255863734	SIYBKVHTWGLAQC-SDQBBNPISA-N	316.282	3.958	50	20	DHGD	
CCOCc1cc(/C=C(/C#N)C(=O)CC(C)C)ccc1OC	255891829	ZUFAACNAIGRVLZ-DHDCSXOGSA-N	301.386	3.754	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccc(F)c1C#N	491014346	WYERNPSQDGTCFH-OQLLNIDSSA-N	319.339	3.860	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)OC2CCCCC2)c1C	728287858	YZALPLDEOWRDQC-WJDWOHSUSA-N	300.402	3.908	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1ccc(SC(C)C)cc1	728853928	DPADMYBZINQBOX-JMRXEAOASA-N	318.442	3.808	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1csc2ccccc12	729964490	BJLGHPZWXPIMIE-AWPPVZKDSA-N	300.383	3.522	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cccc3cccnc23)cc1	747356065	KOMLTIVFLARMQF-UHFFFAOYSA-N	321.405	3.721	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2c(C)cccc2C)cc1	755576499	NNFVVRJWPOAKDV-PTNGSMBKSA-N	306.365	3.858	50	20	DHGD	
CCc1noc(C)c1COC(=O)/C(C#N)=C\c1ccc(C)cc1	757965189	NSWKPRGBVKCKGE-DHDCSXOGSA-N	310.353	3.504	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C(F)F)cc2)c1	759319377	MAQAUKFJGRFZRO-UHFFFAOYSA-N	310.275	3.529	50	20	DHGD	
Cc1cc(C=NNC(=O)Cc2c[nH]c3ccccc23)c(C)s1	760232538	FORUZILRXYFACY-UHFFFAOYSA-N	311.410	3.539	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1Cl)c1ccccc1	761724048	NNCSUYRLRGXEGO-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
O=C(NCCC1=CCCCCC1)NNc1cc(Cl)ccn1	766656402	WHPWNRGFZBLEIO-UHFFFAOYSA-N	308.813	3.642	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](Br)C(C)(C)C)c1	768310875	IGLSJHJTAMPBAT-LBPRGKRZSA-N	313.239	3.556	50	20	DHGD	
N#CSCCCNC(=O)CC(c1ccccc1)c1ccccc1	773593261	GYHJNUSGTGDANW-UHFFFAOYSA-N	324.449	3.929	50	20	DHGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNc1ccccc1F	775765997	MUJAVOPTZIQMTP-LBPRGKRZSA-N	319.384	3.778	50	20	DHGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)C1CCCC1	781556350	XEAXEHKWUQMJAF-ZDLGFXPLSA-N	305.381	3.598	50	20	DHGD	
Cc1cc(C)c(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)c1	785175573	NRJGBUIWAUUFSL-YVLHZVERSA-N	322.383	3.974	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cccc2ccn(C)c12	788311421	USGRTZDDPBFCQJ-UHFFFAOYSA-N	312.348	3.774	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1sc(-c2ccccc2)nc1C	814778949	YLOXFVHKMDYJNZ-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@@H](C)c2ccc(F)cc2)cc1	814998021	PUEPSMPLCMAPFP-GFCCVEGCSA-N	315.348	3.745	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(F)cn1	815004937	QPVVJHYYYHRTAJ-UHFFFAOYSA-N	320.755	3.810	50	20	DHGD	
C[C@]1(C(=O)NNc2cc(Cl)nc(Cl)c2)CC=CCC1	819746694	FMIIRPFEMUSQRM-ZDUSSCGKSA-N	300.189	3.578	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCC2CCOCC2)C1	852523742	KNSDNANBTUWQME-INIZCTEOSA-N	313.558	3.899	50	20	DHGD	
C[C@]1(CNCc2cc3ccncc3s2)C[C@@H]1Br	856809186	KHBHGLXKIABFHV-QWHCGFSZSA-N	311.248	3.559	50	20	DHGD	
C[C@]1(CN[C@H](c2cccnc2)C2CCC2)C[C@@H]1Br	857083584	YBXLDPVUOZZJCX-SOUVJXGZSA-N	309.251	3.686	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2c[nH]c3ccccc23)C1	901126486	JENAQSYVGGHFDI-LBPRGKRZSA-N	301.415	3.559	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)ccc1Cl	928340056	QFBIFJLERDOLFK-AAEUAGOBSA-N	322.836	3.733	50	20	DHGD	
Cc1nc(C(C)(C)NC(=O)C2CCC(Cl)CC2)sc1C	1346596580	FYRBHBDXFKWZGY-UHFFFAOYSA-N	314.882	3.909	50	20	DHGD	
O=C(CSCc1cccc(Cl)c1)NNc1ccc(F)cc1	45971122	BSFKZRIPQSWWJR-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
O=C(CCSCc1ccccn1)NNc1cccc(Cl)c1	63914775	QHQZFLDGWWUHPE-UHFFFAOYSA-N	321.833	3.502	50	20	DHGD	
Cc1cscc1C(=O)NNc1ncc(Cl)cc1Cl	132477803	VMDQTGVGQUPNCC-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
Cn1cc(Cl)cc1C(=O)NNc1c(Cl)cccc1Cl	132810022	CXYZLWFKMVWASE-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1csc2ccccc12	151792940	XFOHQIZRLWYQOZ-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1C(F)(F)F	161056814	JEHJTDIPLQSJCB-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2ccccc2)s1	178250928	KFJHQCOZTQHTAX-UHFFFAOYSA-N	318.398	3.585	50	20	DHGD	
CC(C)(C)Oc1ccccc1NS(=O)(=O)CCCCCl	190775076	IIRMIJMOCUFBKP-UHFFFAOYSA-N	319.854	3.625	50	20	DHGD	
COc1ccc(-c2n[nH]cc2/C=C(\C#N)c2nc(C)cs2)cc1	192539897	UTDDTAQAGNBVLT-NTUHNPAUSA-N	322.393	3.914	50	20	DHGD	
CSSCCNC(=O)Nc1cc(-c2ncco2)ccc1C	284851090	QILTYXDIJKDMMN-UHFFFAOYSA-N	323.443	3.783	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2Cl)c1	490782137	HDWRDMSUPBBBCM-YRNVUSSQSA-N	320.179	3.878	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1	491082379	IQRCXGLVXOWPKM-VZVUQDNOSA-N	310.397	3.574	50	20	DHGD	
N#C/C(=C/c1ccccc1[N+](=O)[O-])c1cnc2ccccc2n1	588580372	GFOVEBLZALRLEW-LCYFTJDESA-N	302.293	3.602	50	20	DHGD	
C[C@@H](CC(=O)NN=c1cc[nH]c2ccccc12)C1CCCCC1	730288437	IPFCGKVHLRUGEY-AWEZNQCLSA-N	311.429	3.706	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)N(C)C1CCCCC1	732714727	DJJDJQVZVVJVRX-FOWTUZBSSA-N	312.413	3.702	50	20	DHGD	
CC(C)c1ccc(OCCNC(=O)NNc2ccccc2)cc1	734269818	OCEDSDJZFGOXBF-UHFFFAOYSA-N	313.401	3.515	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@H]2CCCC[C@@H]2C1	735756006	MHYHUUGYZJHIDK-JHJVBQTASA-N	323.387	3.950	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)Nc1ccccc1C	743822143	GCBYPIJWHDCBID-ZDUSSCGKSA-N	305.422	3.754	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1)C(=O)NCc1ccccc1	747697229	WMAHJGHSNADOHG-XWSNBJDESA-N	306.340	3.605	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCOc2cccc(Cl)c2)c1	748785209	MHBZNQUUHXSXAO-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CCC3(CCOCC3)CC2)cc1	751521652	LBNZKCVHARBYBT-UHFFFAOYSA-N	314.429	3.706	50	20	DHGD	
Cc1ccc2c(c1)S/C(=C\c1cnn(CCCl)c1)C2=O	752887001	JSQMRWOAXYBPTR-AUWJEWJLSA-N	304.802	3.760	50	20	DHGD	
Cc1cccc(-c2n[nH]cc2C=NN(C)C(=O)OC(C)(C)C)c1	755660398	BNRZGOCWGDLCEJ-UHFFFAOYSA-N	314.389	3.586	50	20	DHGD	
CC(C)(C(=O)NNC(=O)c1cccc2ccccc12)C1CCCC1	757019901	ZFEDQUMQHPDGQH-UHFFFAOYSA-N	324.424	3.817	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCCCC2(C)C)o1	757577515	RPHHNYMVXGNZGG-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761584630	HXINXUCVLKMTJV-GHMZBOCLSA-N	316.323	3.855	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccc(F)cc2F)cc1	769026879	KWFPLCKDAXJKFE-UHFFFAOYSA-N	318.367	3.948	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1ccc(C)o1	773094824	LGJBFGJETGNTBE-GFCCVEGCSA-N	320.776	3.549	50	20	DHGD	
COc1ccc(NNC(=O)Nc2cc(Cl)ccc2C)cc1	778234185	NLEBYHSBETYCDW-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	778448933	SSKQWFWYBGRGJZ-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc2ncccc12	781069729	BUCHTUHTKXHQAP-CYBMUJFWSA-N	321.218	3.983	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1nccc2sccc12	785978644	YYDOYCCPGOXGOB-UHFFFAOYSA-N	311.410	3.545	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)Cc1ccc2ccccc2c1	788193869	YTDWEOAEKXMDNQ-UHFFFAOYSA-N	324.355	3.673	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(OC)cc2Cl)cc1	794757465	DJGIBPVXXFSAPP-UHFFFAOYSA-N	316.788	3.675	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1c[nH]c2ccccc12	794930158	BIDYKFXEWRLRMP-JXMROGBWSA-N	324.286	3.942	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1csc(C)n1	812393639	GNBUQNIKOJSMHY-UHFFFAOYSA-N	317.458	3.508	50	20	DHGD	
N#C[C@@H]1CCCC(=NNC(=O)CSc2ccc(Cl)cc2)C1	814731906	ONMAGIHJXVMGDW-LLVKDONJSA-N	321.833	3.618	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CC[C@@H](c2ccccc2)C1	814823011	NXAQWSMIDDUDFC-QGZVFWFLSA-N	322.408	3.895	50	20	DHGD	
CC(C)(CCNC(=O)[C@@H](Br)C(C)(C)C)C1CC1	819156912	YKMWIWDNLQYSHV-LLVKDONJSA-N	304.272	3.739	50	20	DHGD	
Cc1cccc2c(C(=O)NNc3nccnc3C3CCC3)coc12	819534983	ZANZBFUGFXQZHH-UHFFFAOYSA-N	322.368	3.556	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819743240	LZQMILWASYNNOG-RKDXNWHRSA-N	302.205	3.658	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)c1cccc(C2CC2)c1)c1ccccc1	846869079	SNYVGDPMLAKPOR-GOSISDBHSA-N	322.408	3.519	50	20	DHGD	
O=C(NC[C@H]1CCCC1(F)F)NNc1cc(F)cc(Cl)c1	854110826	OGTHOKYEYXELDZ-MRVPVSSYSA-N	321.730	3.541	50	20	DHGD	
Cc1ccc([C@H](C)NC[C@]2(C)C[C@@H]2Br)c(O)c1C	857083772	ZTQWKYQUNFGRSS-WHOFXGATSA-N	312.251	3.833	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccc3ccccc3c2)c1	857831190	YRPZCXXEGYFICB-UHFFFAOYSA-N	320.392	3.979	50	20	DHGD	
CC(C)(C)[C@@H](NC[C@H](CBr)C1CC1)C(F)(F)F	859237376	HGDCDNIQBOFCNV-VHSXEESVSA-N	316.205	3.974	50	20	DHGD	
C[C@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F	859413407	GQQZDCCKYQUGPZ-LRSXGLDUSA-N	321.327	3.682	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cccnc1Br	865221555	YVEKKFPRONPKEN-MJWAUXSNSA-N	307.191	3.756	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2cccs2)c(C)n1-c1ccccc1	915906352	DYSXPNPSBUTMMT-UHFFFAOYSA-N	323.421	3.920	50	20	DHGD	
O=C(NN=Cc1cn(Cc2ccccc2)c2ccccc12)C1CC1	916291092	MZDWJDHPUCUFPB-UHFFFAOYSA-N	317.392	3.550	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)[nH]1	917576102	IUVSCLOLVVWMGO-UHFFFAOYSA-N	310.184	3.702	50	20	DHGD	
CN(Cc1cc(C(C)(C)C)n[nH]1)/C(=C\C#N)c1ccc(F)cc1	1116810300	NQUKPBDUUYPVGY-SXGWCWSVSA-N	312.392	3.843	50	20	DHGD	
N#C/C(=C/c1ccco1)C(=O)Nc1cccc(C(F)(F)F)c1	5757033	HMFPMGKEJYODAY-YFHOEESVSA-N	306.243	3.844	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)o1	8117362	ODRXDOCPTLHEJF-WYRKQZDXSA-N	306.365	3.626	50	20	DHGD	
CC(C)C[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1ccccc1	43716936	MVEQSZKQSVCQQE-AWEZNQCLSA-N	321.421	3.513	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C2CCCCCC2)c1C	101948291	MCXAQIQWIYVQNC-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccc(C(F)(F)F)cn1	131902883	UFOKHFUHKFAFJK-UHFFFAOYSA-N	303.328	3.616	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1	159046927	MCYVTFBMHCBZMJ-QWHCGFSZSA-N	316.351	3.828	50	20	DHGD	
COc1nc(C(=O)NNc2cc(C)ccc2C)cc2ccccc12	159181344	PYJVXTBDRSRZDM-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2ccnc(F)c2)cc1	182438655	MBDCRQAVFPGPEX-UHFFFAOYSA-N	317.364	3.547	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1c(Cl)cccc1Cl	191916252	VMWCKEXNRSTUGG-UHFFFAOYSA-N	317.216	3.832	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C/C=C\c1ccco1	252643314	ZUEVTAWYULLFGN-MIULGLIOSA-N	320.348	3.627	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(C(F)(F)F)cc2Cl)CC1	272706542	WHMFJGJMCHNCRO-UHFFFAOYSA-N	314.694	3.655	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)Nc1cccc2ccccc12	490587821	KWGSZQWKOFLIQE-XNTDXEJSSA-N	316.364	3.725	50	20	DHGD	
O=C(/C=C\c1ccsc1)NNc1ccccc1C(F)(F)F	490667873	SWNPRHVQDRGIJQ-WAYWQWQTSA-N	312.316	3.923	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1	588555655	QCZCXXSNNZSIII-WUXMJOGZSA-N	304.198	3.683	50	20	DHGD	
N#C/C(=C\c1cccnc1Cl)c1nc(-c2ccccc2)no1	728699707	IXESPEGQGWVBLP-UKTHLTGXSA-N	308.728	3.849	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)CCCC(C)(C)C)c1C	728962313	NVKQRHGVDKYXFN-UHFFFAOYSA-N	321.490	3.837	50	20	DHGD	
CN(NC(=O)N[C@H](c1ccccc1)C1CCC1)c1ccccc1	729232043	CYTLGAOVRGWUQZ-GOSISDBHSA-N	309.413	3.878	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cc(C)cc(C)c1	730429300	CAIHSFAPIJMTNY-UHFFFAOYSA-N	305.381	3.939	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)s1	731155594	LTAHMTHHWYMSCB-LUAWRHEFSA-N	300.358	3.995	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)c1c[nH]c2ccccc12	742487310	OFEVATWYTVAOJE-CYBMUJFWSA-N	315.417	3.535	50	20	DHGD	
Cc1cccc(NNC(=O)CCCOc2ccc(C)c(C)c2)c1	746682708	QTCWQBUDYYGLHO-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccccc3n2CC#N)c1	748362764	SNOJNDRTLFPZGS-UHFFFAOYSA-N	318.380	3.539	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2cc(C)ccc2F)c1	748787137	REPDAUGBAYILJH-UHFFFAOYSA-N	300.377	3.827	50	20	DHGD	
C=CCCC(CC)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	750930563	JITPPEQTQSBJIL-AWEZNQCLSA-N	318.417	3.701	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(-c2ccccc2)nn1)C(C)C	754473534	KLNWDYHQFGKFOB-AWEZNQCLSA-N	312.417	3.659	50	20	DHGD	
CC(C)Cc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1	755030694	CLSRASSTMPKPJE-XNTDXEJSSA-N	311.410	3.887	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756787162	GSXWFSMCPDZHKD-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H]1Cc1ccccc1	768222811	KVFJIUVSAPGJQY-KBPBESRZSA-N	324.262	3.640	50	20	DHGD	
Cc1ccsc1CCCC(=O)OC[C@H](C)CBr	770405135	YHCKMHCJYNKWRB-SNVBAGLBSA-N	319.264	3.953	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	771706464	BHVVUDVHXGDPCI-TZMCWYRMSA-N	316.376	3.926	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1cccc(C(F)(F)F)c1	773484000	XDDNOQBZGSAIIE-VIFPVBQESA-N	306.353	3.680	50	20	DHGD	
COc1cc(NNC(=O)c2cc(C)sc2C)ccc1Cl	790176601	YNTJROXKXHCCCC-UHFFFAOYSA-N	310.806	3.784	50	20	DHGD	
C=C(CBr)CN1CCC(c2cccc(OC)c2)CC1	791456597	FRHZURMEOZXCQS-UHFFFAOYSA-N	324.262	3.826	50	20	DHGD	
C=C(CBr)CN1C[C@@H](c2ccccc2C)OC[C@H]1C	791470935	IQIRJJOXLKPMMK-ZBFHGGJFSA-N	324.262	3.708	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CCC[C@@H]2c2ccc(F)cc2)n1	794565770	TTWDBFCHQRPCPU-OAHLLOKOSA-N	311.360	3.583	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)c1cc(F)cc(F)c1	794874680	NBKBLRBHIOMYIY-GHXNOFRVSA-N	301.296	3.532	50	20	DHGD	
Cc1onc(-c2ccccc2)c1C(=O)N(C)CC(Cl)Cl	808246551	GQUBNEJUPZNWBY-UHFFFAOYSA-N	313.184	3.526	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1cccnc1Cl	810493584	DPFKICLYIHXZDN-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
CCN1CCC(CNCc2ccc(OCCCCl)cc2)CC1	811478575	MMPGNHXELFRCRY-UHFFFAOYSA-N	324.896	3.516	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	812239796	FMIDOZFBGUXHAT-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H](C)N1[C@@H](C)CC[C@@H]1C	812766460	HRYPWFWSBWUBDV-JYJNAYRXSA-N	317.477	3.823	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](C(=O)NNc2c(C)cccc2C(C)C)C1(C)C	812768842	JDPZYXHUHNUCCX-JKSUJKDBSA-N	316.445	3.813	50	20	DHGD	
O=C(NN=Cc1cccc2cc[nH]c12)C12CC3CC(CC(C3)C1)C2	814727785	AIKANPWETBRJGP-UHFFFAOYSA-N	321.424	3.834	50	20	DHGD	
CCC(=NNC(=O)c1cccc2ccccc12)c1cccc(N)c1	814855078	FSKWEUQCMZFMRO-UHFFFAOYSA-N	317.392	3.966	50	20	DHGD	
CSCCCC=NNC(=O)Nc1ccc(OC(F)F)cc1	814857024	QPUUHGZMINZKFY-UHFFFAOYSA-N	317.361	3.539	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(SC)cc2)cc1	814999633	HRBMBVIPSNVHGM-UHFFFAOYSA-N	315.398	3.573	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1cccc2cnccc12	815855845	KDHLHLKRXDAELW-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817007995	ZAUTVQYQORXPIS-UHFFFAOYSA-N	303.793	3.835	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747063	JSHZTGAAEONZEF-CPJBWDMUSA-N	300.189	3.578	50	20	DHGD	
CC(C)c1ccccc1C(=O)NNC(=O)C(C)(C)c1ccccc1	826919849	BTKZBHOWMUKGNV-UHFFFAOYSA-N	324.424	3.549	50	20	DHGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNc1cc(C(F)(F)F)ccc1F	827303710	MPTCCYFDCRHRCL-ATZCPNFKSA-N	316.298	3.724	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1cccc(Br)c1	827505915	FZRRLSIYZRKPQC-IINYFYTJSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CC[C@H]2CC2(Cl)Cl)c1	830786445	RDAJYKJRJKXDID-NSHDSACASA-N	301.217	3.721	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cn(C)nc1-c1ccc(F)cc1	834421693	SYRFKSXKAHAZPF-NTEUORMPSA-N	311.360	3.748	50	20	DHGD	
CC[C@@H](C)[C@H](C=NNC(=O)c1c(Cl)cccc1Cl)OC	834953843	OBZARFWFRQLPCQ-SKDRFNHKSA-N	317.216	3.770	50	20	DHGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2cccc(Cl)c2Cl)O1	838349433	RBWISIDJPHYXRH-UWVGGRQHSA-N	317.216	3.784	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NN(C)C(=O)OC(C)(C)C	838366737	MWGCKPNETOIKAS-UHFFFAOYSA-N	324.446	3.699	50	20	DHGD	
CCCCC1CCC(C(=O)/C(C#N)=C\c2cnnn2CC)CC1	841484843	COHVVTOOTCNSJD-WJDWOHSUSA-N	314.433	3.771	50	20	DHGD	
CCC[C@H](C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387642	LRTPTJAEAMMSCP-VIFPVBQESA-N	324.837	3.738	50	20	DHGD	
Cc1cc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c(C#N)cn1	853897379	FJIKCDYSEPMPMW-HNNXBMFYSA-N	317.509	3.862	50	20	DHGD	
CC(C)(C)c1ccc2cc(C(=O)NCCCSC#N)[nH]c2c1	854362780	ANVMNKCRUYRBSB-UHFFFAOYSA-N	315.442	3.800	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)cc1F	865222835	AZWWFXYXMDLKOI-BJMVGYQFSA-N	307.296	3.575	50	20	DHGD	
COCc1c(C(=O)NNc2ccccc2C)oc2ccccc12	865498206	ZWDIDIIBKVJRQI-UHFFFAOYSA-N	310.353	3.645	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1cc(C(F)(F)F)c(F)cc1C	868531739	DOKGFPGSRGGIBB-CLFYSBASSA-N	316.254	3.535	50	20	DHGD	
Cc1ccc(-c2ccccc2NC(=O)NN(C)C2CC2)s1	880278886	XYAWMVBIXSOBPT-UHFFFAOYSA-N	301.415	3.854	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1nc(C(C)C)oc1C	885126710	DGSRAFVLXSONHK-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
CCC(=O)[C@@H]1CCCN1C(=O)CCCC[C@@H]1CCSS1	909339548	QPOTXESOGCDLEF-OLZOCXBDSA-N	315.504	3.671	50	20	DHGD	
CCC(=NNC(=O)CNc1ccccc1)c1ccc(Cl)cc1	915918156	ZWDALHTVJGYGRE-UHFFFAOYSA-N	315.804	3.682	50	20	DHGD	
O=C(COc1ccccc1F)NN=C1CC[C@H]2CCCC[C@@H]2C1	916300417	FCPNMJDMJINDBE-ZIAGYGMSSA-N	318.392	3.667	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)c1ccc(F)c(F)c1	1325025910	CMMUHEXSEGIQDB-SECBINFHSA-N	319.145	3.563	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccn2C2CC2)cc1	1331386835	LYVJXOWUWYHWCF-QINSGFPZSA-N	305.381	3.931	50	20	DHGD	
CC[C@H](NC(=O)c1cccc(CCl)c1)c1c(C)noc1C	1337200707	JLJBMQJHCFIBRT-AWEZNQCLSA-N	306.793	3.911	50	20	DHGD	
O=C(NC[C@@H]1CCCC2(CCC2)O1)c1cccc(CCl)c1	1353810200	LDCGWNIJBLPONR-HNNXBMFYSA-N	307.821	3.647	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(F)c(C(=O)O)c1	1599891231	NLDRXVSAMOKTIE-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
C[C@H]1CC(C(=O)O)C[C@H](C)N1CCO[Si](C)(C)C(C)(C)C	1604652965	SSOGSPIHZCEKQK-STQMWFEESA-N	315.530	3.582	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1	17083930	CKWHASHSGGBAHG-UHFFFAOYSA-N	312.369	3.523	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2ccc(F)c(F)c2F)cc1	131237277	YASKUUUZRZNOJI-UHFFFAOYSA-N	322.330	3.833	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cccc(F)n2)cc1	134316450	CTRKPGASTZBLFX-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc(F)c(F)c1	152764560	IJYWJBCCHOQGQJ-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(-c3ccccc3)nc2C)cc1	158650587	KLRHLVVRTSJQFW-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(O)cc2F)cc1	163820309	LWJLOWQIGWDNBK-UHFFFAOYSA-N	302.349	3.586	50	20	DHGD	
N#Cc1ccc(O)c(NC(=O)CCCC[C@@H]2CCSS2)c1	176399697	ZIUAAPBRFHNWGM-GFCCVEGCSA-N	322.455	3.916	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)c(F)c2)cc1	179173317	RESJOMKUKMVPHJ-ZROIWOOFSA-N	310.328	3.639	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC[C@@H]1CCCCO1	181594566	MEQKAGFZKRAVIK-KBPBESRZSA-N	317.520	3.776	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCC[C@@H]2CCCCO2)cc1	182214864	TYYLMBYTRQIBGZ-INIZCTEOSA-N	319.449	3.569	50	20	DHGD	
CC(C)c1ccccc1NC(=O)NNC(=O)CC1CCCC1	182733981	AVLTZUNPJOQSHX-UHFFFAOYSA-N	303.406	3.543	50	20	DHGD	
CC[C@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	184253524	HTCUDTAQUGXYEU-KOLCDFICSA-N	317.216	3.642	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)c(C)c1	207917470	HEAMDXLZDNEYCG-GDNBJRDFSA-N	320.348	3.547	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@@H](C)C#N)c(C)n1CCC(C)C	214583912	PMUSDHZSDYBZDV-DUPVFGOHSA-N	313.401	3.513	50	20	DHGD	
C[C@H](CBr)CN1C[C@H](c2ccsc2)O[C@H](C)C1	248697250	JZIUHCKCYAKNHQ-NQBHXWOUSA-N	318.280	3.541	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1ccccc1Cl	255717656	NYEYJVQSJPRZKD-QXMHVHEDSA-N	316.788	3.895	50	20	DHGD	
O=C(CCCCCc1cccs1)NNc1cccc(F)n1	286614700	QNXKMGLLLXFAAP-UHFFFAOYSA-N	307.394	3.528	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(COC(C)C)cc2)c1	298669653	LJQBKYXEWBVDBZ-UHFFFAOYSA-N	312.413	3.985	50	20	DHGD	
Cc1cc(Cl)ccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	490877716	MOIIMBXBKDLANS-UKTHLTGXSA-N	312.756	3.900	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1ccc(C)s1	728435099	VRNTUZSABPNZFV-UHFFFAOYSA-N	324.352	3.812	50	20	DHGD	
Cn1cc(C(=O)/C=C/c2cnn(CCCl)c2)c2ccccc21	728697341	ODZPNOPGSKJZEG-VOTSOKGWSA-N	313.788	3.510	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccc(F)c(F)c3F)CC2)c1	728715897	JPABBFLBLWRMTF-UHFFFAOYSA-N	320.314	3.587	50	20	DHGD	
CCCc1ccc(C(C)=NNC(=O)c2cccc(C#N)c2)cc1	728782326	LNCMLGBXKXPXRQ-UHFFFAOYSA-N	305.381	3.665	50	20	DHGD	
C=CCC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(F)cc1	735612033	DQJNVDSDUQYUOM-UHFFFAOYSA-N	317.751	3.584	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(C#N)o3)n2)cc1	742349724	IXMXOAVBEMUAEC-MDWZMJQESA-N	302.293	3.574	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](C)[C@H]2C)c1C	752391379	VVZPLVFRIXDCPA-OCUXDJNSSA-N	313.445	3.679	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@H](C)CCC(C)(C)C)c1ccccc1	754262238	MFAXPFCRADOBQE-GDBMZVCRSA-N	318.461	3.790	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2cccnc2Cl)cc1	754485307	UMMVSKVKKQUQAJ-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccccc2C(F)(F)F)C1	759129431	HAUWHHBRTGXADM-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3cnco3)cc2)c1	760131315	MGTCOIZLYBALOU-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1cc(C=NNC(=O)COc2ccc(C)c(C)c2)c(C)s1	760232121	ZOTAAOSROBYNIA-UHFFFAOYSA-N	316.426	3.511	50	20	DHGD	
Cc1cc(C=NNC(=O)C(C)(C)c2ccccc2)c(C)s1	760253083	OOHJWYHCXHVFCU-UHFFFAOYSA-N	300.427	3.793	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C1(CC)CCCCC1)c1ccccc1	763467855	UHJXSUNUXHTIKT-MRXNPFEDSA-N	316.445	3.688	50	20	DHGD	
Cc1cc(O[C@@H](C)C(=O)N2CC=C(C#N)CC2)ccc1C(C)C	767159814	KLXUEHHWRDROEP-HNNXBMFYSA-N	312.413	3.568	50	20	DHGD	
CC(C)CCN(CCC#N)C(=O)[C@@H](Br)C(C)(C)C	767959245	IQOOYAAYGKBVGI-GFCCVEGCSA-N	317.271	3.584	50	20	DHGD	
CCn1nc(/C=C(\C#N)c2nc3ccccc3[nH]2)c2ccccc21	769718390	LPGDDJYVICHAQU-ACCUITESSA-N	313.364	3.997	50	20	DHGD	
CCCCCc1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	769931093	BRTHUKZSSXWPCN-UHFFFAOYSA-N	305.422	3.618	50	20	DHGD	
Cc1nc(C(=O)NNc2ccccc2)c(-c2ccccc2)s1	778936580	NBSBACABFXAWKM-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1C[C@@H](C)C[C@@H](C)C1	779898045	ZYBHWCRFECNLAM-GDNZZTSVSA-N	307.346	3.581	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1cccc(C(=O)OC)c1	780795623	QHVWYEXVIGDBHE-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
O=C(NNC(=O)C1CCC1)Nc1ccc2oc3ccccc3c2c1	782537960	PDDUHDIICWWTID-UHFFFAOYSA-N	323.352	3.539	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCC(F)(F)c1ccccc1	788849911	DAAIKEKKFHZWJH-UHFFFAOYSA-N	323.318	3.552	50	20	DHGD	
Cc1cccnc1NNC(=O)NCc1ccc(C(C)(C)C)cc1	791023345	VVYWAJGOMYMGCG-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
CN(CC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccccc1	791719834	MIDZSPCPEOWDJE-UHFFFAOYSA-N	324.211	3.573	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)Cc1ccc(C)cc1	795584553	VPWPYFHOFAZLSZ-CYBMUJFWSA-N	311.219	3.668	50	20	DHGD	
COC(=O)c1coc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)c1	797405939	LWJRIAAKHBBSIE-BJMVGYQFSA-N	316.382	3.884	50	20	DHGD	
CN(C)CCC1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808711510	IPGLGGFHURDERD-UHFFFAOYSA-N	314.590	3.672	50	20	DHGD	
C#Cc1ccccc1CC(=O)NNc1ccc(Cl)cc1Cl	810679587	UKGJUGMQBLMGCO-UHFFFAOYSA-N	319.191	3.661	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2Br)cc1	813419130	DLIAAUUCRQXSQG-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
O=C(NN=C1CC[C@@H](Cc2ccccc2)C1)c1ccc(O)cc1	814691735	OYFJVZKQDJACJV-HNNXBMFYSA-N	308.381	3.521	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CC3(CC3)C2)cc1OC	814755163	MNUFYRGBYXTCDI-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
C[C@]1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CCCCO1	839303397	OGKODIWDTJLEPD-QGZVFWFLSA-N	315.325	3.613	50	20	DHGD	
CC(C)(C)C#CC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846376534	ABCDWAQJPKWFNO-UHFFFAOYSA-N	318.726	3.851	50	20	DHGD	
CC[C@@](C)(OC)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379513	XFJBXVKBRSSVCB-GFCCVEGCSA-N	324.730	3.617	50	20	DHGD	
C=CCCn1cc(/C=C(\C#N)C(=O)c2ccc(CCC)cc2)nn1	849243443	UBSOLSGVSSHMKI-SFQUDFHCSA-N	320.396	3.597	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2cccc(N)c2)C1	852524759	OUOXRTDASSZZES-INIZCTEOSA-N	306.526	3.865	50	20	DHGD	
O=C(C[C@@H]1CC[C@H]2C[C@@H]12)NNc1nc2ccc(Cl)cc2s1	856235583	BOSDRHFOPPIKNS-ATZCPNFKSA-N	321.833	3.829	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cnc(C3CC3)o2)c(Cl)c1	863095771	WOXNLYZTKSQNDZ-UHFFFAOYSA-N	318.764	3.669	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(F)cc1F	915971225	JOJGMLIRQUIBEN-UHFFFAOYSA-N	303.312	3.819	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCCC[C@H]2C)cc1OC	916348739	QSFYYYLOWKBCJI-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)NC[C@@H](C)c1nccs1	921952971	QTXZFQBPLQQHON-SNVBAGLBSA-N	324.837	3.535	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2cc(F)ccc2C)c(C)o1	1118530932	WPPXDNGTDNOVLA-LLVKDONJSA-N	305.353	3.731	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C2(c3cccc(C#N)c3)CC2)cc1	1331343884	CLPTXAWALKLCOQ-UHFFFAOYSA-N	319.408	3.857	50	20	DHGD	
CCOc1cc(NC(=O)C2CCC(Cl)CC2)ccc1OC	1345633359	SVRQHWVUQITAEV-UHFFFAOYSA-N	311.809	3.830	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cccc(OC)c2OC)c1	7211298	AKFHRKROGRTGJQ-XNTDXEJSSA-N	323.348	3.502	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccccc1Br	57405684	ZYVIGNFCUJTLJE-XFXZXTDPSA-N	308.175	3.699	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNc2ccccc2)cc1	70716595	ZBSYFEPPVPVPLA-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)NNc2ccccc2F)c1	92930345	VOAGAHKXNSILHN-UHFFFAOYSA-N	301.321	3.567	50	20	DHGD	
CCOC(=O)c1cc(Br)cc(CBr)c1	95929584	PEFKCLDQEMQQFT-UHFFFAOYSA-N	321.996	3.521	50	20	DHGD	
COCCOC(=O)/C(C#N)=C\c1cccc(-c2ccccc2C)c1	105356824	FNFNLCZZVYYTQQ-AQTBWJFISA-N	321.376	3.759	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)C(=O)c3ccc(F)cc3)ccc21	129768697	GULAYYRGBIPICR-WJDWOHSUSA-N	306.340	3.608	50	20	DHGD	
C[C@H](CBr)CN(Cc1ccco1)Cc1ccco1	133518071	QYSIRFJVGUEGGB-GFCCVEGCSA-N	312.207	3.906	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2SCCc3ccccc32)c1	150786136	ZHVNRKTWWHRGSV-MRXNPFEDSA-N	316.401	3.608	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cc(C(F)(F)F)cc(C(F)(F)F)c1	151358546	QPUMHFKATLGXID-KRXBUXKQSA-N	323.192	3.804	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cc3c(s2)CCCCC3)c1	152707136	BMGQJLFBJOOGOY-UHFFFAOYSA-N	311.410	3.646	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(Oc2ccccc2)nc1	153319742	RYCPSBUPNOSASN-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccnc(Cl)c1	153716922	CPRGIJPBXLIOMY-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)c1C	170869646	IQEGDIBARIZQRR-LFIBNONCSA-N	323.396	3.679	50	20	DHGD	
CCn1cc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)cn1	171806169	VUCOUWAFJYMRTH-IZZDOVSWSA-N	320.179	4.000	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1	175227340	RQCVNCYGZNNUAC-UONOGXRCSA-N	302.324	3.520	50	20	DHGD	
O=C(NNc1ccccn1)c1cc2ccccc2c2cccnc12	181196033	IMKSMEZENREJHI-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
C=C(C)COc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OC	195288665	CLAOPWSVSGBWMK-OVCLIPMQSA-N	315.369	3.509	50	20	DHGD	
COCc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1	255374776	JQFYRZCFPLYXPS-WJDWOHSUSA-N	303.365	3.784	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1cccc(C(F)(F)F)c1	492421899	GPWSOEPCBYOICG-WAYWQWQTSA-N	321.302	3.565	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)cc1)C(=O)c1ccc(Cl)s1	588424778	LASBZANOOJHSHF-XFFZJAGNSA-N	317.753	3.890	50	20	DHGD	
O=C(NN=Cc1csc(-c2ccc(Cl)cc2)n1)C1CCC1	731936440	XPPUXTMGQACQMD-UHFFFAOYSA-N	319.817	3.714	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@H](c1cccs1)C1CC1	735756332	SNHVRGOZOFAAPM-ZDUSSCGKSA-N	323.368	3.804	50	20	DHGD	
COc1ccc(NNC(=O)c2oc3c(F)cccc3c2C)cc1	746887553	VNCDJGAWTYCCSX-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1sc(Cl)nc1Cl	755586423	LKHSNMAJHAWHHZ-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	761336176	VYCXRKHYXHWMRU-VIFPVBQESA-N	313.785	3.764	50	20	DHGD	
C[C@H]1N(C(=O)CCCC[C@H]2CCSS2)CCOC1(C)C	763704854	RTKIANKPBPKSBR-OLZOCXBDSA-N	317.520	3.726	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)c1nnc(-c2ccccc2)o1	764681981	LOXJXLUUMVZDLO-UHFFFAOYSA-N	314.389	3.669	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)ns1	768279879	JIHVKGUNAGFGBR-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	773106211	YZAFKMARHAZKBW-YPMHNXCESA-N	308.809	3.812	50	20	DHGD	
CCCc1cccc(C(C)C)c1NC(=O)NNC(=O)C1CCC1	788311488	VYTUXJVTTXICGN-UHFFFAOYSA-N	317.433	3.715	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)CCc2ccccc2O)C1	794507758	NCHQBYQNXHLZAP-HNNXBMFYSA-N	302.418	3.643	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	794689552	BTSXMFZRKHIGLS-UXBLZVDNSA-N	320.179	3.825	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(F)cc(Cl)c1O	799853108	JTHFZJITUMJMPL-UHFFFAOYSA-N	322.767	3.812	50	20	DHGD	
CC(C)[C@@H](NC(=O)NN(C)c1ccccc1)c1ccc(F)cc1	800047182	ITAKHCTUGREXBP-QGZVFWFLSA-N	315.392	3.873	50	20	DHGD	
C[C@@H]1CC[C@@H](C=NNC(=O)Nc2ccc(OC(F)F)cc2)C1	800812251	AKQDBINSNSIWME-GHMZBOCLSA-N	311.332	3.832	50	20	DHGD	
O=C(NNc1ncccc1F)[C@@H]1C[C@H]1c1cccc2ccccc12	804214481	YNEAOPAUHVHOKV-JKSUJKDBSA-N	321.355	3.621	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1cccc(O)c1	813043544	INHKMQBAELKRAG-UHFFFAOYSA-N	313.401	3.650	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCCCC23CCCC3)cs1	814740063	HHNWZMTYBMHHEM-UHFFFAOYSA-N	305.447	3.601	50	20	DHGD	
COc1ccc(NC(=O)NN=CCc2cccc(Cl)c2)cc1	814999723	LRBAUQBVMILADO-UHFFFAOYSA-N	317.776	3.699	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CCc3cccnc32)cc1	819926181	YSEGOGPCFMGSDQ-INIZCTEOSA-N	309.413	3.552	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)[C@H]1C[C@H]2CC[C@H]1O2	834963305	SZZKQOBCHBAMNQ-ZTFGCOKTSA-N	308.381	3.513	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H](C)c1c(C)noc1C	836933175	BCEBZCMQKDYOBR-SECBINFHSA-N	307.781	3.500	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)[C@@H]1C[C@H]2C=C[C@H]1CC2	842528205	QZOZTZSEPPFUAN-MPGHIAIKSA-N	319.408	3.943	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)C1(C(F)(F)F)CCCCC1	855461714	GDURQQDFGBJYTH-UHFFFAOYSA-N	321.730	3.691	50	20	DHGD	
C[C@@]1(CNCc2ccc(C(F)F)cc2)C[C@@H]1Br	856808941	HAFXWEVUFGTRNF-AAEUAGOBSA-N	304.178	3.887	50	20	DHGD	
C[C@]1(CNC2CC(c3cccc(F)c3)C2)C[C@@H]1Br	857065342	MKEPPVAUCKJESW-RIXNLZLZSA-N	312.226	3.835	50	20	DHGD	
CC(C)C=NNC(=O)c1ccccc1OCc1ccc(F)cc1	866780400	CJNITTWPLAIOSW-UHFFFAOYSA-N	314.360	3.776	50	20	DHGD	
O=C(CCCCCc1cccs1)NNc1ccc(F)cn1	874650408	YEAPUDRNRXPOLH-UHFFFAOYSA-N	307.394	3.528	50	20	DHGD	
O=C(CSCc1ccc(F)cc1)NNc1ccccc1Cl	912643247	LNZQOIXJGWPOJI-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	913188467	TWFXLZMFBYRZOM-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
Cc1ccc(-n2c(C)cc(C=NNC(=O)C(C)(C)C)c2C)cc1	915966831	UMLOIAKGQJTRST-UHFFFAOYSA-N	311.429	3.899	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cccc(Cl)c1	916287465	GGUQBLCVLOJSAI-UHFFFAOYSA-N	311.772	3.975	50	20	DHGD	
O=C(NCCCC1CCCCC1)NNc1cccc([N+](=O)[O-])c1	916517501	YZKPOAGKMNWEPH-UHFFFAOYSA-N	320.393	3.581	50	20	DHGD	
CCCO[C@@H](C(=O)NNc1ccccc1)c1ccc(F)cc1C	935016252	HEPQWKJBNJSDPK-QGZVFWFLSA-N	316.376	3.745	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cnc2ccccc2n1	935402434	TYVZHDOLYDDXLS-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1ccc(Cl)c(F)c1	1318934381	VUYILHOSTUWADB-SNVBAGLBSA-N	314.788	3.660	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCC2)C(=O)c1ccc2c(c1)OCO2	1323252040	HSOMFMSQXRFFJL-RQZCQDPDSA-N	317.344	3.694	50	20	DHGD	
Cc1c(NNC(=O)c2cc3c(C)cccc3o2)cccc1C(=O)O	1600054179	MSXUMKHIDBDZBQ-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)oc2C)cc1	561893	QRPWQEQQDFEAEP-XNTDXEJSSA-N	310.353	3.841	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3cccc(C)c3)c(C)nc2c1	78232466	WLQUOOVAMDNUEY-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C)cc1	132444981	LTPXFNPRHAMNOG-BOPFTXTBSA-N	306.365	3.687	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1(Cc2ccccc2)CCC1	137115185	KEGMCZJYMPVCPM-UHFFFAOYSA-N	315.804	3.591	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3c(F)cccc3[nH]2)c1	150792722	OPYWNLOFCVMWQA-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Cc2ccccc2Cl)cc1	151357473	BQGPWRYGEUQTBV-ZDUSSCGKSA-N	302.805	3.970	50	20	DHGD	
CN(C)c1c(Cl)cccc1NC(=O)NNc1ccccc1F	179767154	LDCBSOAUBYQLNC-UHFFFAOYSA-N	322.771	3.694	50	20	DHGD	
CC(C)Sc1ccccc1NC(=O)NNC(=O)CC(C)(C)C	186633277	JYOKPQGXSGAIIH-UHFFFAOYSA-N	323.462	3.776	50	20	DHGD	
COc1cc(C)c(NC(=O)NNc2c(C)cccc2F)cc1F	186789335	ULAHANADCABCJX-UHFFFAOYSA-N	321.327	3.739	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(C#N)cc1)c1ccccc1	188570502	MHSFRTIRVCYHDS-OVCORXIESA-N	315.376	3.733	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(F)cccc1Cl	192096296	SYKRDTAEZNFOTB-CSKARUKUSA-N	301.770	3.558	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(F)c1)C(=O)Nc1ccc(F)cc1	211795825	ROPFACIHOPWJPO-XFFZJAGNSA-N	302.255	3.650	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCCSC)c1C	229938110	BTHHPETUYRBUNR-LFIBNONCSA-N	320.458	3.718	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2sccc2C)cc1	255635729	DILNYPRACQEZJJ-RVDMUPIBSA-N	307.374	3.858	50	20	DHGD	
C=C(CBr)CN(C)[C@@H]1CCCc2nc(C)sc21	279822963	YHSABFWLVLVVCX-GFCCVEGCSA-N	315.280	3.712	50	20	DHGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	728400480	NSYSFHQUUIZKIU-HOCLYGCPSA-N	300.406	3.543	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC(c2ccc(C)cc2)C1	731487897	IMQQGVAJSJDQSS-UHFFFAOYSA-N	308.381	3.667	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1F	731488290	CSRJJLHNAMWYRI-MLCDBFSUSA-N	300.377	3.736	50	20	DHGD	
CCCC(C)=NNC(=O)Nc1cc(Cl)c(OC)cc1OC	741769795	PUYIGNZQFFKBSO-UHFFFAOYSA-N	313.785	3.655	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(C)cc1Cl)[C@@H]1CCOC1	741844936	REXFOCNDDOTVOV-LLVKDONJSA-N	309.797	3.572	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])Nc1ccccc1F	747830745	HLLQWIGQTRBVSU-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(NN=C1CCCc2cc(O)ccc21)c1cccc(Cl)c1	750921402	ICIHNDUBMXKZPF-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCC2(CCCC2)CC1	752425418	QHUCORCBCFKSKU-DTQAZKPQSA-N	312.388	3.915	50	20	DHGD	
O=C(C[C@@H]1CCCCO1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421313	IDKKXBIBMBBSKQ-LBPRGKRZSA-N	315.325	3.613	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)c1	760140622	JFPRGMGJMCPBQB-GXTWGEPZSA-N	316.376	3.926	50	20	DHGD	
Cc1cccc2c1CN(C(=O)[C@@H](Br)C(C)(C)C)CC2	760669426	UCNNPKPOMZPKEK-CQSZACIVSA-N	324.262	3.689	50	20	DHGD	
Cc1ccc2c(c1)N(/C(=C/C#N)c1cccc([N+](=O)[O-])c1)CC2	764323302	SAFVXDFHFZNPEG-REZTVBANSA-N	305.337	3.830	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1ccc(Cl)s1	767030977	UIFFIWYCIYZWPS-VIFPVBQESA-N	324.671	3.827	50	20	DHGD	
Cc1ccccc1NCCC(=O)NNc1c(F)cccc1Cl	771673590	GXLZWJXHTYPSGD-UHFFFAOYSA-N	321.783	3.733	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)CCOc1ccccc1	771707033	NHHPDHDQSKTBCP-CQSZACIVSA-N	316.376	3.682	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cscc1Cl)c1ccccc1	771840378	ZPSXVGXYCHWEKG-YRNVUSSQSA-N	302.786	3.971	50	20	DHGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)c1cccc2ncccc12	773208907	SQSAQZROMXFJBC-WMLDXEAASA-N	307.397	3.943	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc3ccccc3n2)c1	777463976	AURYYSZRQIHVBG-CQSZACIVSA-N	305.381	3.790	50	20	DHGD	
CN(Cc1ccsc1)C(=O)[C@H](Br)C(C)(C)C	781069517	CYCWLIDNETZKAK-JTQLQIEISA-N	304.253	3.516	50	20	DHGD	
CCC1(C=NNC(=O)c2ccc3ccccc3c2)CCOCC1	781122315	HWEOQBAOVNXQON-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
COc1ccccc1CCCOC(=O)/C(C#N)=C/c1ccccc1	785379586	UUWHOUDMWWZBGT-NBVRZTHBSA-N	321.376	3.778	50	20	DHGD	
COc1ccc(NNC(=O)Nc2ccc(C3CCC3)cc2)nc1	786231731	JDVKNHYLOCPMJK-UHFFFAOYSA-N	312.373	3.506	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)COc1ccccc1C#N	788976712	BBGIEPRAJTWRAL-UHFFFAOYSA-N	313.401	3.566	50	20	DHGD	
C#Cc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1	792630369	HHXYEVDGOHQUTO-UHFFFAOYSA-N	312.372	3.514	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	793711303	ZDZHTZWEUTYMHS-AWEZNQCLSA-N	313.785	3.908	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	793850862	JGLKCDFOLJBVDE-JQWIXIFHSA-N	315.339	3.760	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)c1nc(-c2ccccc2)cs1	794686293	NBNPHZVPIUXXAJ-ZSOIEALJSA-N	306.394	3.916	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)n2)sc2ccc(F)cc12	804765159	ISOAHZHULGXTHE-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)OC1CCCCC1	812444950	JGTUULOGAAVLQZ-UKTHLTGXSA-N	303.333	3.617	50	20	DHGD	
CCOC1CC(CC(=O)NNc2c(C)cccc2C(C)C)C1	812765845	XLDIEHLVFYFUAO-UHFFFAOYSA-N	304.434	3.767	50	20	DHGD	
CC[C@@H](C=NNC(=O)CCc1ccccc1O)c1ccccc1	814839928	BORYMDITWYEWDR-HNNXBMFYSA-N	310.397	3.621	50	20	DHGD	
C[C@@H](C=NNC(=O)COCc1ccccc1)C1CCCCC1	814855531	OZJMLLYJRNMGMI-HNNXBMFYSA-N	302.418	3.522	50	20	DHGD	
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OCC(=O)NNc1ccc(F)cc1	825313823	FXWPPLRDCISGGC-COXVUDFISA-N	322.424	3.746	50	20	DHGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNc1ccccc1Cl	830786051	GNFXGJUXIOXXCR-QMMMGPOBSA-N	307.608	3.757	50	20	DHGD	
O=C(NC[C@@H]1CCCS1)NNc1cccc(Cl)c1Cl	838511954	SOOQWSQORTWVBE-QMMMGPOBSA-N	320.245	3.515	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cn(C(C)C)nc1C	846798067	MTAMYLBELPGWRD-UHFFFAOYSA-N	317.345	3.517	50	20	DHGD	
N#C/C(=C/c1ccnn1CC1CC1)C(=O)c1ccc(Cl)s1	849179637	RSECVAFBYRHNBD-XFFZJAGNSA-N	317.801	3.798	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCC[C@@H]1Cc1ccccc1	854479395	RQPCUBILMFLPPL-KGLIPLIRSA-N	314.256	3.908	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc3sccc3c2)C[C@@H]1Br	857395014	VMFGMPHYBIEGEM-GXTWGEPZSA-N	324.243	3.805	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ncccc1Cl	859638843	ROKZWGLDWUNTJQ-JTQLQIEISA-N	320.614	3.588	50	20	DHGD	
CCC[C@H](C(=O)NNc1cccc(F)c1Cl)c1ccccn1	862506546	BJIGKJKPMVRGPM-NSHDSACASA-N	321.783	3.901	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)c1ccccn1	863082690	ORRLVEUZUOEHCF-GFCCVEGCSA-N	321.783	3.901	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C(F)(F)F)ccn2)c(C)c1	879016275	JFMIBLLTGZCEIO-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cnc(C(C)C)s1	885125717	WOPKCQLJQKQXIZ-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C(C)(C)C1CCC(O)CC1	928337042	IFSAKDXIOBZKDG-UHFFFAOYSA-N	324.852	3.669	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C3)C1	1149157085	YQLQJJZPWQWWHW-CKEIUWERSA-N	309.526	3.799	50	20	DHGD	
COc1ccc(COc2cccc(F)c2)cc1NC(=O)CCl	1319785658	HHKBYOODCLRKGK-UHFFFAOYSA-N	323.751	3.591	50	20	DHGD	
CCC1(C(=O)Oc2ccc([N+](=O)[O-])c(C(=O)O)c2)CCCCC1	1595369240	UIMUWLWDMGZULC-UHFFFAOYSA-N	321.329	3.559	50	20	DHGD	
Cc1ccc(NNC(=O)c2oc3ccccc3c2C)cc1C(=O)O	1610509837	RAYAKGSQWVXXMY-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
COc1ccc(C(=O)O)cc1/C=C(/C#N)c1nc2ccccc2o1	1777354441	WHEAWMKRXCPFON-LCYFTJDESA-N	320.304	3.599	50	20	DHGD	
CCO[C@H](CBr)c1ccccc1Br	50479593	QWGIDKGNBOZKOR-SNVBAGLBSA-N	308.013	3.922	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)c1C	67735363	SMICRSNEUDNNLS-YBEGLDIGSA-N	319.360	3.865	50	20	DHGD	
CSc1ccccc1NC(=O)NNc1ncccc1Cl	91985600	RICYVWUEZCMKPK-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1ncccc1Cl	114884787	RDHKNNVNHXCSOG-LLVKDONJSA-N	321.833	3.500	50	20	DHGD	
Cc1ccccc1NNC(=O)c1csc2c1CC[C@@H](C)C2	120304476	UDWXXSLSKZGDRW-LLVKDONJSA-N	300.427	3.938	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1ccncc1F	120526437	JJGQDXAATRWCJJ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCn1cc(CC(=O)NNc2cc(C)cc(C)c2)c2ccccc21	158759249	PQGZVXSYLCXBPM-UHFFFAOYSA-N	321.424	3.964	50	20	DHGD	
Cc1ccc(NNC(=O)C23C[C@H]4C[C@@H](CC(F)(C4)C2)C3)cc1	158952539	RCXVJIVQGLPEMV-JDPPGYRCSA-N	302.393	3.747	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ccnc(F)c3)oc12	182448192	QXIDTFKBHHFERC-UHFFFAOYSA-N	313.332	3.649	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(C)cc2)o1	191763830	MGGHIJHCCISCLP-XNTDXEJSSA-N	301.367	3.554	50	20	DHGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)c1ccc([N+](=O)[O-])cc1	194924631	YWJUWZPJIJYNLX-GHXNOFRVSA-N	324.727	3.960	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnccn2)cc1	490974766	ODPSWAOIBCAENK-LERPTODRSA-N	306.369	3.536	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(Cl)cnn3C)c[nH]c2c1	588534615	TYGWOQXPQWKMAU-WDZFZDKYSA-N	324.771	3.653	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)c1ccccc1F	727660032	ZJHFRDUQLJNCOG-ZDUSSCGKSA-N	308.397	3.583	50	20	DHGD	
CSc1ccc(C=NNC(=O)CCCc2ccccc2)cc1	727688590	AOXZGMLBNDTVPX-UHFFFAOYSA-N	312.438	3.882	50	20	DHGD	
C[C@H](NC(=O)NNc1cccc(C#N)c1)C(C)(C)c1ccccc1	728135040	TXKBYAFNRRFXFD-AWEZNQCLSA-N	322.412	3.551	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1sccc1C	733745897	FDPRDROFSZPLFT-UHFFFAOYSA-N	315.442	3.626	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cncs1	734745417	MOGDVGWWOLREJR-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
Cc1cc(C)c(/C=C\C(=O)NNc2ccc(C#N)cc2)cc1C	748117767	MQBLRLFVCVDYJV-TWGQIWQCSA-N	305.381	3.640	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H]2CCCC[C@@H]2C)cccc1[N+](=O)[O-]	748674065	XUPDTPUFYLBECK-AAEUAGOBSA-N	305.378	3.563	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)c1cc(-c2ccccc2)[nH]n1	749156870	QTRSTCUOCWTTBM-UHFFFAOYSA-N	310.401	3.929	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2nc[nH]c2c1	752811987	SATDYQDPRMSNQO-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CC(Cc1cccc(F)c1)=NNC(=O)c1c[nH]c2ccccc12	759180906	ZYZQIJLRASJTMG-UHFFFAOYSA-N	309.344	3.655	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)C1	762817474	IHDBWJCCSOINCX-UEUZTHOGSA-N	323.318	3.767	50	20	DHGD	
CC1(c2ccccc2)CCC(=NNC(=O)c2ccccn2)CC1	766677900	GQMAKEYISSBZRK-UHFFFAOYSA-N	307.397	3.699	50	20	DHGD	
CC(C)(NC(=O)[C@H](Br)C(C)(C)C)c1cccs1	768166262	QFDNDNBHDJGOJO-JTQLQIEISA-N	318.280	3.909	50	20	DHGD	
COCCN(C[C@@H](C)CBr)[C@H](C)c1ccccc1	770650770	WELWLCOMNREODG-UONOGXRCSA-N	314.267	3.727	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1c(C)cccc1F)c1ccccn1	771317917	YDQNPIRGRQAJLQ-OAHLLOKOSA-N	316.380	3.697	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cccc(C(=O)OC(C)(C)C)c1	777877976	ALNZKGZLJFPIDT-UHFFFAOYSA-N	320.389	3.501	50	20	DHGD	
COC(=O)NN=C1CCC[C@H]1c1cccc(C(F)(F)F)c1	788938111	AJLIFLJDAJSLAO-NSHDSACASA-N	300.280	3.685	50	20	DHGD	
C=C(CBr)CN(C)[C@@H](C)c1cc(F)ccc1F	791450634	ZWEFUKQGTJDRCQ-JTQLQIEISA-N	304.178	3.909	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNc2ncccc2C)c1	792267649	IUBDSXZFJOETHL-CYBMUJFWSA-N	314.389	3.716	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)ccc1C#N	799497683	YVDVWEWHLZAWIC-NVNXTCNLSA-N	314.348	3.816	50	20	DHGD	
CCSCCCNC(=O)NNc1cc(Cl)cc(Cl)c1	800731403	BZBQJDAZSULXPM-UHFFFAOYSA-N	322.261	3.763	50	20	DHGD	
CC(C)(C(=O)NCC(Cl)Cl)c1ccc(Cl)cc1F	819795077	SRQWRGPPNJIIBV-UHFFFAOYSA-N	312.599	3.677	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)/C(F)=C\C1CCCCC1	825835465	KJMXRNCLPRFFLZ-GXDHUFHOSA-N	314.364	3.507	50	20	DHGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	825997708	MHRGSLGZHUSVKL-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	827521931	WPTNJWGUIVTZLK-LKFCYVNXSA-N	311.769	3.518	50	20	DHGD	
CSc1cccc(C(=O)NNc2ccc(C(C)C)cc2)n1	843901776	OGYKRBHUUVFGJV-UHFFFAOYSA-N	301.415	3.684	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCc1ccc(Cl)cc1	848081465	ZCBDLIMNYYIWHB-UHFFFAOYSA-N	308.636	3.925	50	20	DHGD	
CC(C)(C)c1cccc(C(=O)NNc2ccc(Cl)nc2)c1	848371796	WVLVGKOXZLPLIF-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
Cn1c(NNC(=O)c2cccc(C(C)(C)C)c2)nc2ccccc21	848381713	SBHYQZIOVBLDMF-UHFFFAOYSA-N	322.412	3.628	50	20	DHGD	
CC(C)c1ccccc1C=NNC(=O)c1cccc(N(C)C)c1	848400191	BHBPGWGXUQPTDA-UHFFFAOYSA-N	309.413	3.640	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccncc2C#N)C1	853897360	DYARUVRPMHOEMQ-AWEZNQCLSA-N	303.482	3.554	50	20	DHGD	
CC(C)[C@H](F)C(=O)NNc1ccc(Cl)cc1Br	856233104	WMKQHGPGBFYHPB-JTQLQIEISA-N	323.593	3.540	50	20	DHGD	
Cc1cccc(C(C)C)c1NC(=O)NNc1ncc(Cl)cn1	856809518	DIPJGWACYUVMMF-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857392860	HALFGMFQIJZGPV-WCQYABFASA-N	316.626	3.552	50	20	DHGD	
CC[C@H](CC(=O)NC[C@@]1(C)C[C@H]1Br)c1ccccc1	857404568	YXXJEVWDVWCBBO-XNRPHZJLSA-N	324.262	3.860	50	20	DHGD	
CCc1nc(C)c(C(C)=NNC(=O)c2cc(C)cs2)s1	863155338	GRSKTCJYBPNKAU-UHFFFAOYSA-N	307.444	3.538	50	20	DHGD	
O=C(COc1ccccc1F)NN=Cc1cccc2ccccc12	916300779	YVHQSKOSCRRJHB-UHFFFAOYSA-N	322.339	3.508	50	20	DHGD	
Cc1cc(NNC(=O)c2sccc2CN(C)C)ccc1Cl	928341342	XTUUXLDADGPJBQ-UHFFFAOYSA-N	323.849	3.528	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1ccnn1C(C)(C)C	930925958	CUKCSVQFBXFTPJ-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)cc1	1116141685	DPKRVVLPJKBOTR-SFQUDFHCSA-N	318.376	3.730	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1cncn1-c1ccccc1	1248423455	IJSCEOGACRXMKG-UHFFFAOYSA-N	312.417	3.948	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(C(C)(C)C)c2C)cc1Cl	1248719589	ZIFFEQSBKXDBIF-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
C[C@H](CCc1cccn1C)NC(=O)c1cccc(CCl)c1	1337112477	BKGUDKXFEOCVEH-CYBMUJFWSA-N	304.821	3.515	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044989	CRMBTLWHGMXQGA-LLVKDONJSA-N	305.378	3.709	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(C(=O)O)c1	1776094623	CQHUGHJWNOUAGI-IUODEOHRSA-N	316.401	3.563	50	20	DHGD	
O=c1[nH]c(CCCCl)nc2scc(-c3ccc(F)cc3)c12	36275540	KNWKGVWYKWINIP-UHFFFAOYSA-N	322.792	3.962	50	20	DHGD	
N#CCCN(Cc1ccco1)C(=O)c1cccc(CCl)c1	37834178	VZYJDMZILSHLAE-UHFFFAOYSA-N	302.761	3.574	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1csc([N+](=O)[O-])c1	48579139	HASZCXPNQYCWGE-ONNFQVAWSA-N	304.352	3.816	50	20	DHGD	
Cc1cccc(CCC(=O)NNc2ccnc3ccccc23)c1	106926019	LGBRGPQOHUFXMZ-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
C[C@@H](CC(=O)NNc1ncccc1Cl)c1cccc(F)c1	116452373	GKTLTZWPRTYNQW-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1cccc(F)c1F	120133189	POTSAVWVZWXVTN-CHWSQXEVSA-N	322.742	3.865	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@H]1CCCS1	130518823	KOMKBHPMKFYJFV-NWDGAFQWSA-N	305.534	3.712	50	20	DHGD	
CC(C)(C(=O)NNc1cc(F)c(F)cc1F)c1ccccc1	151941905	IWYNBKRSBNBNBP-UHFFFAOYSA-N	308.303	3.525	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2c(F)cccc2[nH]1	175404021	YWLZHVLMCIEALL-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
Cc1cncc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)c1	181678786	VKJQKJJIMQSWNQ-UHFFFAOYSA-N	312.417	3.514	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3ccc(F)cc3F)CCC2)c1	181879935	UMJHZIIFLVUHAK-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCCOc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	194829494	ILSAYFIOTPHJAZ-QINSGFPZSA-N	322.364	3.727	50	20	DHGD	
CCC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	245263856	BGUCGAOUTSWJFW-UHFFFAOYSA-N	321.355	3.918	50	20	DHGD	
CSSCCNC(=O)c1[nH]c2ccccc2c1Cl	285633493	HZEFICIQHJAWDK-UHFFFAOYSA-N	300.836	3.562	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC2(CCC2)[C@H]1[C@@H]1CCCO1	289676960	VEDKCMXKKLAFGP-GANRSZTLSA-N	312.388	3.724	50	20	DHGD	
CCn1cccc1/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C	491084872	PKALSCKRIFXVMT-WJDWOHSUSA-N	307.397	3.979	50	20	DHGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)N1CC=C(C#N)CC1	492580330	JMWLXHZNCAADDV-CDNLZTBQSA-N	310.397	3.559	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1cc(Cl)ccn1	588396465	IEDCXXWABRBLHZ-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(Cl)s1	728717347	REQQVWWNICMMEE-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
Cc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)cn1	732147979	IGSUSIWZJCSQSR-OAHLLOKOSA-N	324.515	3.763	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)Cc1ccccc1F	735011657	PECRBNXKZLCPBD-CQSZACIVSA-N	322.424	3.512	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2nccc3sccc23)c1	740086205	SOKXDUGZSLWQLB-LBPRGKRZSA-N	311.410	3.852	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc(Cl)cc1Cl	743816630	SEHAUTZHAICQRB-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)c1c[nH]c2ccccc12	745806676	VECIZGVZYIFIIH-UHFFFAOYSA-N	305.381	3.906	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1C[C@@H]1c1ccc(F)cc1	746695366	ITLGOVKMGRZMAE-CHWSQXEVSA-N	322.742	3.865	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccc(F)cc1	747003653	LEIOTAFQAJGZRN-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
C/C(=C/C(=O)NNc1cccc(C#N)c1)c1cccc(Cl)c1	748050114	DEAUKLVVCGFTIN-WQLSENKSSA-N	311.772	3.758	50	20	DHGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)OC(C)(C)C	748131214	HXOGIMSECJCJLZ-UHFFFAOYSA-N	306.431	3.974	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2ccc(F)cc2)cc1	751584228	LZEZHAVQSLNNFF-UHFFFAOYSA-N	304.390	3.624	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(-c3ccccc3)nn2)CCC1	759281605	JPHQMHRZPKHESX-UHFFFAOYSA-N	310.401	3.557	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cc(Cl)cs1	760837879	KEHCHOMOUNVEJE-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NNc1ccc(F)cc1	763091110	MWYDGGDGNMFTBD-SJKOYZFVSA-N	313.376	3.775	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)ncn3C)cc1	764919796	HEZQANZKGSQBIS-SXGWCWSVSA-N	301.349	3.672	50	20	DHGD	
CC(=NN(C)C(N)=O)c1ccc(-c2ccc(Cl)cc2)s1	767904254	OHQRXNUDOTTZCO-UHFFFAOYSA-N	307.806	3.803	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCSc1ccccc1	770306706	LBMKHDSVLTXXOH-NSHDSACASA-N	317.248	3.743	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc(C2CCC2)cc1	786226379	GWCGZMOARSOAAZ-UHFFFAOYSA-N	315.417	3.687	50	20	DHGD	
Cc1oc(C#N)cc1C(=O)NN(c1ccccc1)c1ccccc1	797811946	QJPDZURMRCWQFN-UHFFFAOYSA-N	317.348	3.943	50	20	DHGD	
CCC[C@]1(NC(=O)CCCC[C@@H]2CCSS2)CCOC1	804537566	YBUYHCNLPHFXLL-HIFRSBDPSA-N	317.520	3.776	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	807946099	FDTIAXHVUPVBMT-OAHLLOKOSA-N	309.413	4.000	50	20	DHGD	
Cc1ccc2sc(C(=O)NNc3cccc(C#N)c3)cc2c1	810679030	JDNBUHNCNPTOEP-UHFFFAOYSA-N	307.378	3.838	50	20	DHGD	
Cc1ccc(CNCc2ccc(OCCCCl)cc2)cn1	811474190	FBDCIROAHSZRMC-UHFFFAOYSA-N	304.821	3.688	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819746619	DFWQKKNCVZKJDW-SCZZXKLOSA-N	302.205	3.658	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc2oncc2c1	821029149	ZPXUXPRENZKHCU-OVCLIPMQSA-N	317.348	3.990	50	20	DHGD	
Cc1csc2c(=O)n(CCO[Si](C)(C)C(C)(C)C)cnc12	821084405	OOKKPJPERLDWBI-UHFFFAOYSA-N	324.522	3.788	50	20	DHGD	
CC[C@](C)(C=NNC(=O)c1c(Cl)cccc1Cl)OC	834953311	DRAUCPVXMZCZBE-CYBMUJFWSA-N	303.189	3.524	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)Sc2ccccn2)cc1	837054818	WYCQTSXXDUGXNK-CYBMUJFWSA-N	315.442	3.829	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)c1cccc(C2CC2)c1)c1ccccc1	846869082	SNYVGDPMLAKPOR-SFHVURJKSA-N	322.408	3.519	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1ccc(C2CC2)cc1	857132372	CNXWYVKNWAYAMG-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
CC(C)C[C@@H]1OCCC[C@@H]1NC[C@H](CBr)C1CC1	859259152	DBFYSXXELVDPGB-KKUMJFAQSA-N	318.299	3.591	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1	861927918	UISZXNPRZNCVNN-IPMKNSEASA-N	306.409	3.839	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)N2CCCC2)cc1	865220846	ROSJISWSYDUGQK-QLENYVDCSA-N	324.424	3.835	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCc2ccccc2)cc1	913262560	ACZRRTJFTVBMTF-NBVRZTHBSA-N	321.376	3.778	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cccc(Cl)c1	916278260	LBLRDUXKKYQQQL-NGFQHRJXSA-N	302.805	3.882	50	20	DHGD	
CC(C)(C)C(=O)NNC(=O)c1ccc(C2CCCCC2)cc1	917180319	RKIPUGGIHZKGOO-UHFFFAOYSA-N	302.418	3.541	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC(OC2CCC2)CC1	1339045278	JBDKSFYDKPJRET-UHFFFAOYSA-N	307.821	3.599	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1ccccc1C(=O)O)c1ccccc1	1588776936	NUHCCCIAJKMEAK-OAHLLOKOSA-N	324.380	3.578	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1c[nH]c2ccccc12	6341899	IVHMYQBSPFVPGQ-UHFFFAOYSA-N	307.397	3.710	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccccn2)cc1OC(F)F	7155370	YMAOLTZKTRVVPV-XYOKQWHBSA-N	302.280	3.756	50	20	DHGD	
CCCCN(CCCC)C(=O)/C(C#N)=C/c1ccc(O)cc1	41723692	GAFPWFLDKLFTED-DTQAZKPQSA-N	300.402	3.728	50	20	DHGD	
Clc1ccccc1[C@H](CBr)O[C@H]1CCOC1	82454897	JFXHKZUWJHARNK-CABZTGNLSA-N	305.599	3.582	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CSc2ccccc21	120246723	TYOZTTXIGAIDMI-MRXNPFEDSA-N	324.449	3.898	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2c(c1)CCC2	122839252	AWGQUXYNGBQKHE-UHFFFAOYSA-N	318.323	3.534	50	20	DHGD	
CCN(C[C@H](C)CBr)[C@@H](C)c1cccc(O)c1	133866734	SSXMRQKMWQSZME-NEPJUHHUSA-N	300.240	3.806	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCc2csc(C)n2)c1	158677193	NYOFEJKJJVHSIZ-UHFFFAOYSA-N	303.431	3.534	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1	174053130	XEMIFWVSKLCFID-IYSPOMMRSA-N	320.392	3.617	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(O)ccc2[N+](=O)[O-])c1	178724255	AQVPYIUIMVXKEC-NVNXTCNLSA-N	322.320	3.707	50	20	DHGD	
CCc1cccc2c(/C=C(\C#N)C(=O)Nc3ccncc3)c[nH]c12	180565164	QPJGHCQIQOVICQ-GXDHUFHOSA-N	316.364	3.671	50	20	DHGD	
CC(C)C[C@H](C)OCCC(=O)NNc1ccc2ccccc2n1	181152624	WVIXVDMVEWWNNI-AWEZNQCLSA-N	315.417	3.519	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCCOc1ccc(F)cc1	184302549	KRPNVAGDQBKWIF-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
C=Cc1ccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)cc1	192185392	XLZRBAPTVOSAAO-UHFFFAOYSA-N	322.286	3.985	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc(F)c(Cl)c1	206207917	BCYCTBDHLUWATJ-RJRFIUFISA-N	313.159	3.811	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)cc2F)s1	490689882	BVSBNQOFQVJNRK-SDQBBNPISA-N	318.348	3.558	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)Cc1ccsc1	729635489	WNTYEOOLCUOKHQ-UHFFFAOYSA-N	322.817	3.759	50	20	DHGD	
COCC(CC(C)C)=NNC(=O)Cc1cccc2ccccc12	730727908	BYPGEDZFQOWPEJ-UHFFFAOYSA-N	312.413	3.547	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNC(=O)c1cccc(Cl)c1	733911826	RVPHBJHEHPMBFO-ZDUSSCGKSA-N	322.836	3.708	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNc1nc(C)cc(C)n1)C(C)(C)C	734536515	MKRYKXWOBVKJEG-CQSZACIVSA-N	321.469	3.715	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC[C@H](C3CC3)C2)c(C)c1	737423095	OEJVHIVRCQHMEG-INIZCTEOSA-N	313.445	3.788	50	20	DHGD	
CN(NC(=O)c1c[nH]cc1-c1ccc(F)cc1)c1ccccc1	743305485	CNNZPRYKNOMOEZ-UHFFFAOYSA-N	309.344	3.602	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1nc2ccccc2s1	749449216	CZBACONFTYNOBH-UHFFFAOYSA-N	301.415	3.717	50	20	DHGD	
C[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC12CCC2	752740871	SIZNLBAFVFACSH-LUYJPIOASA-N	312.388	3.771	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1c(F)cccc1F	754084515	KMWRABDJDUEXIR-SNVBAGLBSA-N	324.758	3.940	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)c1	760849747	JBBNMZNKTKHMCF-HNNXBMFYSA-N	311.429	3.835	50	20	DHGD	
C[C@H](CBr)CN1CCc2cc(F)ccc2[C@H]1C	770654183	PYCYLOIUXUUZKC-GHMZBOCLSA-N	300.215	3.776	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	772215803	KKBOUTFHOVBLKI-SNVBAGLBSA-N	311.769	3.518	50	20	DHGD	
CC(C)[C@H]1CC(=NNC(=O)c2ccc3ccccc3c2)CCO1	776766304	CAKVFFRXGOKPDX-GOSISDBHSA-N	310.397	3.761	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)c1ccsc1	777479129	USSPJFPQCXZIEU-LBPRGKRZSA-N	311.410	3.852	50	20	DHGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)Nc1ccc(F)cc1	779220679	GQMGVUHGTIVHGN-MHWRWJLKSA-N	317.323	3.920	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@@](C)(c3ccccc3)C2)c(O)c1	780210840	BCHAYDFVCPUQOD-HXUWFJFHSA-N	322.408	3.928	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)N(CC)CC	781040533	DTOJUIMWIWQAQR-INIZCTEOSA-N	305.466	3.548	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC[C@H](Oc2ncccc2F)C1	785837467	HWHQOHOXHARIJJ-HKJBKDEOSA-N	323.371	3.629	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788975510	PSLIKKMZNNKHMY-UHFFFAOYSA-N	321.833	3.960	50	20	DHGD	
CC[C@@H](NC(=S)NCCSSC)c1cccs1	789325600	QOSMBTDIIDOXCU-SECBINFHSA-N	306.547	3.675	50	20	DHGD	
COc1cc(NNC(=O)c2cccc(C)c2C)ccc1Cl	790172250	RYXNCYBNIUECGQ-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
COc1cc(NNC(=O)C2C[C@@H](C)C[C@H](C)C2)ccc1Cl	790188373	ZYHQRNZAOXYZSS-QWRGUYRKSA-N	310.825	3.864	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CC[C@@H](c2ccc(F)cc2)C1	792319935	GJGKTDKHVFEBFC-PBHICJAKSA-N	313.376	3.788	50	20	DHGD	
CCOc1ccc(NC(=O)NCCSSC)c(C)c1	794108965	XNCVWQYGZALVAM-UHFFFAOYSA-N	300.449	3.526	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C[C@H]3CCCSC3)cc2C1	794880304	DBOUFVMXSNOHOZ-NWDGAFQWSA-N	322.499	3.732	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CCC34CCC4)n[nH]2)cc1	799883037	NMXRIKGNXVBYCN-UHFFFAOYSA-N	322.412	3.689	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1sccc1Cl	802826788	MYJZBJMVYKAPNX-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@@H]2CCCC[C@H]21	806861499	PHDFFFTWLUPXOZ-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
Cc1nn(C)cc1[C@H]1CCCN1CCO[Si](C)(C)C(C)(C)C	808734396	VMHPCIMDQNVINS-MRXNPFEDSA-N	323.557	3.887	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2c(F)cccc2Cl)s1	810685755	XBYSUFMMOCZNAD-UHFFFAOYSA-N	312.797	3.925	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2cc3ccccc3o2)c(C)c1	812438557	PGDMAZUVBMQXMS-UHFFFAOYSA-N	321.380	3.612	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H]1CCCCC12CCCC2	812929905	FZLQODXQCINMBX-CQSZACIVSA-N	302.422	3.519	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc3occc3c2)cc1	814996768	ANHHCOBDQUQFIL-UHFFFAOYSA-N	309.325	3.597	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NOC[C@H](C)CC)c1C	816978824	CAOIZBJBQQYUKW-VGSSETLESA-N	317.433	3.516	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2cccc(Cl)n2)cc1	817009522	OBACMSHBSYPQJO-UHFFFAOYSA-N	317.820	3.900	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccn(CCC(C)C)n2)cc1F	821954005	PWDVNPMINPHMIM-UHFFFAOYSA-N	319.384	3.525	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@H]2CCCC[C@H]2C)cc1OC	834921185	SPRGWUQOEIAQMQ-DOMZBBRYSA-N	318.417	3.636	50	20	DHGD	
C=C(CBr)CN(C)[C@@H](C)Cc1cccc(F)c1	839196346	UVLUAHVUIAASQE-LBPRGKRZSA-N	300.215	3.640	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C(F)(F)F	839457472	SVDANLKCRBMUNB-UHFFFAOYSA-N	302.321	3.885	50	20	DHGD	
CSc1ccc(C(=O)OC[C@@H](CBr)C2CC2)o1	859553673	IBSSDQHHCJUNDN-SECBINFHSA-N	319.220	3.579	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1nc2ccc(Cl)cc2s1	862226461	FYVZKGJTWUUGSA-UHFFFAOYSA-N	322.821	3.723	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	866180368	OADYBDNMKWNJBL-WOJGMQOQSA-N	315.461	3.974	50	20	DHGD	
C#CCCCC(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891549381	PZVTZIPCMMISDU-HNNXBMFYSA-N	309.526	3.803	50	20	DHGD	
CC(C)(C)n1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cn1	915986036	RYZQFQCXEGLCJC-OQLLNIDSSA-N	319.368	3.752	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)c1ccccc1Cl	1317719909	ZTVGZJYVIMAUDW-UHFFFAOYSA-N	316.788	3.811	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cccc2c1CNC2	1341623077	MVMVUMAIXRYHJM-CYBMUJFWSA-N	322.499	3.942	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)c1cccs1	16273031	UCXDWFNKPMCRIU-UHFFFAOYSA-N	319.455	3.503	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2cc(C)ccn2)cc1	88424916	NBGHVCKNDROKCI-UHFFFAOYSA-N	313.401	3.716	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1ccc2[nH]ccc2c1	92602457	BAYJEKSDYBPSPN-UHFFFAOYSA-N	323.381	3.926	50	20	DHGD	
CC(C)(CC(=O)NNc1ccncc1Cl)c1ccccc1	154814509	MPWFQWWMMPOKJE-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@H](C)c1ccccc1F	160945162	YVYGLNVUPXCHLQ-NSHDSACASA-N	304.340	3.910	50	20	DHGD	
CCCCCCOc1ccc(C(=O)NNc2ccccn2)cc1	181201451	APKAJXSOUVXANV-UHFFFAOYSA-N	313.401	3.798	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccccn2)CCCCC1	181242586	AFPGEGNLROIORL-UHFFFAOYSA-N	309.413	3.735	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1csc(-c2ccc(C)cc2)n1	255303103	KWKIFWGJJIUSLP-ZROIWOOFSA-N	311.410	3.552	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCCN(c2ccccc2)CC1	255676234	POSVOQJXWITZMJ-RGVLZGJSSA-N	321.399	3.902	50	20	DHGD	
Cc1nc(C)c(NC(=O)[C@H](Br)C(C)(C)C)s1	274372844	LEDMDVACDWRIPY-QMMMGPOBSA-N	305.241	3.508	50	20	DHGD	
CSC[C@H](C)C(=O)NN(Cc1ccccc1)c1ccccc1	303314294	GMJOCOJFRVXARZ-HNNXBMFYSA-N	314.454	3.724	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1c[nH]c2ccccc12	588421082	IQSCHBWNUHZDNN-YFHOEESVSA-N	323.333	3.927	50	20	DHGD	
CCC(=NNC(=O)[C@H](CC)c1ccccc1)c1ccc(O)cc1	731931021	AIJXHYWIYJYHAL-QGZVFWFLSA-N	310.397	3.816	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(C#N)cc1)c1ccccc1	731933027	UEVFGQVLTYOMRL-SFHVURJKSA-N	305.381	3.592	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)c2ccccc2F)c1C	759667495	SMORVFGLLQSVMQ-UVTDQMKNSA-N	311.360	3.839	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(Cl)cs1	760468354	GSZGUCGNTWDYAF-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@H](C)C3)n[nH]2)c1	764790355	QFJOEIYKMMEZPJ-LBPRGKRZSA-N	324.428	3.989	50	20	DHGD	
CC(=NN(C)C(N)=O)c1ccc(-c2ccccc2Cl)s1	767910062	ZFMFEDZOINBMBJ-UHFFFAOYSA-N	307.806	3.803	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@@H]1CCc2c(Cl)cccc21	775781270	HEHFUSKQGOGCKI-CQSZACIVSA-N	304.752	3.652	50	20	DHGD	
CCc1noc(C)c1C(=O)NNc1ccc(C(C)(C)C)cc1	781042221	XHAWHCZIMKTCTP-UHFFFAOYSA-N	301.390	3.600	50	20	DHGD	
CCOc1ccc(NC(=O)[C@H](Br)C(C)(C)C)cc1	781066799	LKZUSVCOEQWCDX-LBPRGKRZSA-N	314.223	3.833	50	20	DHGD	
COC1(CC(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CCC1	792540171	ZWLVIDRGTCEWAY-UHFFFAOYSA-N	315.325	3.613	50	20	DHGD	
COc1ccccc1C(=O)NN=C[C@H](c1ccccc1)C(C)C	794510512	QGBHCJJIPLQALN-KRWDZBQOSA-N	310.397	3.851	50	20	DHGD	
C=CC[C@H](CC)NC(=O)NNc1ccccc1C(F)(F)F	798494680	JJNAJFDMBQAOEX-JTQLQIEISA-N	301.312	3.686	50	20	DHGD	
CCc1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1Cl	806679239	GGLOIWAHVMRELO-UHFFFAOYSA-N	323.824	3.635	50	20	DHGD	
O=C(CCn1ccc2cc(Cl)ccc21)NCC(Cl)Cl	808129496	VALWXOTYEACERX-UHFFFAOYSA-N	319.619	3.605	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(-c2ccccn2)cc1	810332824	FSCCUEOQWNXMCQ-UHFFFAOYSA-N	304.353	3.897	50	20	DHGD	
CCSC1(CNC(=O)NNc2ccc(C(C)C)cc2)CC1	823008379	AMJWOCIQIJSXGA-UHFFFAOYSA-N	307.463	3.722	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@H]1CCCSC1	838346425	UDPZVFSIJRLYOL-QMMMGPOBSA-N	305.230	3.580	50	20	DHGD	
CS[C@@H]1CC[C@@H](NC(=O)NNc2ccc(C)cc2Cl)C1	838492515	BHZUZRPGYJFMBH-GHMZBOCLSA-N	313.854	3.559	50	20	DHGD	
COC[C@@H](C)CC(=O)NNc1ccccc1Oc1ccccc1	846464479	ZRKSKGHSQMNTBO-AWEZNQCLSA-N	314.385	3.595	50	20	DHGD	
C[C@H](CBr)COC(=O)CC[C@H]1CC1(Cl)Cl	849875326	GZWBIQMDTQEGDT-SFYZADRCSA-N	318.038	3.535	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1ccc(-c2ccccn2)n1	853699523	HLODPCJENOVBPQ-UHFFFAOYSA-N	303.482	3.967	50	20	DHGD	
O=C(CCCC(F)(F)F)OC[C@@H](CBr)C1CC1	859620620	BWBRDPWICCYKRD-SECBINFHSA-N	317.145	3.683	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1c(F)cccc1F	916278213	HUBDTLRLPTXNII-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(Cl)cc2C)c1C	928336372	MCYSNVQVMYLOAS-UHFFFAOYSA-N	319.792	3.553	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CSCc1cccs1	1320368530	WWSBBKNXOTVDNC-UHFFFAOYSA-N	310.419	3.572	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1nccn1-c1ccccc1	1320700785	VSCWTVYCRGMAJA-SSZFMOIBSA-N	313.360	3.971	50	20	DHGD	
CN(Cc1cc(Cl)cn1C)C(=O)c1cccc(CCl)c1	1346906817	BYBYVBDJCOGDQE-UHFFFAOYSA-N	311.212	3.690	50	20	DHGD	
CC(C)C[C@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	1776095530	DRIWZYFGYZTZOS-CYBMUJFWSA-N	316.401	3.707	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	59335751	OBUMGPJNERNXHB-VBKFSLOCSA-N	306.365	3.939	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@@H]1CSc2ccccc21	118310150	DXKISNMDJGHRSB-CYBMUJFWSA-N	304.802	3.673	50	20	DHGD	
Cc1cccc(OCCCC(=O)NNc2c(F)cccc2F)c1	118514003	PNOYNHGOJIQGRH-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
COc1ccc(C(=O)NNc2ccccc2C(F)(F)F)c(C)c1	151578317	UUSGWMSRKGMSTO-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
O=C(/C=C/SCc1ccco1)NNc1ccccc1Cl	158203940	FFKDOHPRUZQXOG-VQHVLOKHSA-N	308.790	3.823	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCC[C@@H]1CCCO1	177934173	WFRDRRQGMYUROV-STQMWFEESA-N	304.477	3.813	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)c1ccccc1F	178487261	NPBFCMTZPYFZOF-GFCCVEGCSA-N	309.344	3.621	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)c1	179707457	ROUBOAYYENTBGU-RVDMUPIBSA-N	305.333	3.556	50	20	DHGD	
N#CC(C#N)=CN[C@H]1CCCc2sc(-c3ccc(F)cc3)nc21	184744051	HAUJFNVWIBHHAH-AWEZNQCLSA-N	324.384	3.847	50	20	DHGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)C(C)C)cc1OC	193344177	MLQNUWXSTFNTGB-WUXMJOGZSA-N	307.777	3.879	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)ccc1C	194526284	NSNIPDPBGVWSLV-VCHYOVAHSA-N	320.392	3.535	50	20	DHGD	
CN(C)c1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	254739356	BMDAXVMEMLHWQF-UHFFFAOYSA-N	323.440	3.814	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccs1	254855993	NJZJCQVOQMKKDL-UHFFFAOYSA-N	302.443	3.805	50	20	DHGD	
COc1cc(F)cc(NNC(=O)/C=C\c2ccc(Cl)cc2)c1	255395864	ZRPUBEFPBLWAGX-DAXSKMNVSA-N	320.751	3.644	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCCC(F)(F)C1	282433995	JDOJMXQUOWXSFX-SECBINFHSA-N	322.277	3.974	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@H]1CCCCC1(F)F	295158348	CWXNRJOWPRBAGS-LLVKDONJSA-N	320.286	3.557	50	20	DHGD	
CCC(=NNC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1	729638557	RGOMOTBPSOSAKO-UHFFFAOYSA-N	323.371	3.711	50	20	DHGD	
CSC[C@H](C)C(=O)NN(c1ccccc1)c1ccccc1	731322865	SEZAFINWJGHBOE-AWEZNQCLSA-N	300.427	3.855	50	20	DHGD	
CC(C)(C)CC(=O)NN=C1CCCOc2c(Cl)cccc21	733747377	KKPGALGEQXZXTP-UHFFFAOYSA-N	308.809	3.769	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2ncccc2Cl)cc1	734246614	KHRMWSPRRSLVQM-UHFFFAOYSA-N	303.793	3.835	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(F)cccc1F)C1CCCCC1	735754934	IMJBSJQDLYKEQT-AWEZNQCLSA-N	311.376	3.950	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2cccc(C(F)(F)F)n2)C1	740140019	HCAFACMUZJSJQG-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CCC[C@@H]2c2ccc(F)cc2)cc1	741162833	LETIVGUOQAEBSU-QGZVFWFLSA-N	321.355	3.751	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3ncsc3c2)c(C)c1	743762604	CPYZLDQFDMNFTF-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3ccccc3)on2)C[C@@H](C)C1	747750677	CJOGHTGVABCJFZ-STQMWFEESA-N	311.385	3.884	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)C1CCCCC1	748001710	FWTZQXCPVGYGJC-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2cccc(Br)c2)C1	748029943	DGBCCHLYRRROQJ-DFYQSJSGSA-N	309.207	3.639	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(C)cc1O	749832277	SLEORUMZOSSGGH-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2ccncc2)C[C@@H](c2ccccc2)C1	749853276	ICVGAMSZXKLHJC-YOEHRIQHSA-N	307.397	3.771	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756773220	WKGCQFPSSQTBIX-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
Cc1cc(C=NNC(=O)Nc2ccc(N(C)C)cc2)c(C)s1	760260754	RDKXRQGWOUAZRE-UHFFFAOYSA-N	316.430	3.587	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)c1cccnc1)CCCO2	767742641	BLNXPKKSOXEULH-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1cc(C#N)ccc1COC(=O)[C@H](Br)C(C)(C)C	777065962	JVMABGUEYOOEPF-ZDUSSCGKSA-N	324.218	3.720	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccn1)c1ccc(Cl)c(Cl)c1	777469060	QBNMCYORDYPULD-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1cccc2cccnc12	785350840	JIENKCADHZROAV-PDGQHHTCSA-N	314.344	3.885	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ccc(C#N)cc1Cl	785378915	OMNKINGTSRJFJE-LZYBPNLTSA-N	322.751	3.862	50	20	DHGD	
CC(C)c1cccc(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	787532385	DUFODMSSMVJWMF-VCHYOVAHSA-N	320.392	3.739	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CCC3(C)C)n[nH]2)cc1	789036414	BCHGWBNRTHCVPO-UHFFFAOYSA-N	310.401	3.545	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](c1ccccc1)C1CCC1	791019479	KIXGBBIHVASTFC-MRXNPFEDSA-N	310.401	3.558	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc2oc(C)c(C)c2c1	792375907	HJXFNXZZFARTLG-UHFFFAOYSA-N	310.357	3.902	50	20	DHGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)c1ccoc1	798230149	MGDGASJEJGSGSO-YBEGLDIGSA-N	317.348	3.872	50	20	DHGD	
CN(CCc1cccc([N+](=O)[O-])c1)/C(=C\C#N)c1ccccc1	801601064	AIPRPBGIQQSKGZ-ZDLGFXPLSA-N	307.353	3.634	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C(C)C)cn1	810919687	KRKYOTZWHMVUBJ-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccccc1[N+](=O)[O-]	812765663	QRPVIHZHIDHVEC-UHFFFAOYSA-N	313.357	3.784	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(Cl)o1	814791412	GNJSVHXPCGMLNI-UHFFFAOYSA-N	312.756	3.779	50	20	DHGD	
CC(=O)c1cc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)cs1	815913390	QHZLFAWDAPHHMR-UHFFFAOYSA-N	319.338	3.695	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cccc(C(F)(F)F)c1	817010021	ISABUSVANXVTJR-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)N(C)CC(Cl)Cl)cc1	819842702	DBJPUELHOABJNE-UHFFFAOYSA-N	317.260	3.799	50	20	DHGD	
CCN(CC)c1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1F	834448183	XQUFOEQPMHUCRD-LCYFTJDESA-N	306.356	3.896	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc2c(c1)CNC2	834846199	PAZDVCNFKMIAJW-HNNXBMFYSA-N	322.499	3.942	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)c1ncc(C#N)cc1F	853695226	ULHIHXOSENVPJS-UHFFFAOYSA-N	309.461	3.550	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)N(C)CC(Cl)Cl)cc1C	854478194	DMBXRGGDPIDQJC-QWHCGFSZSA-N	300.229	3.669	50	20	DHGD	
O=C(CC(C1CCC1)C1CCC1)NNc1cnnc2ccccc12	863873519	HRENDKQDHIGLKM-UHFFFAOYSA-N	324.428	3.679	50	20	DHGD	
O=C(NN=Cc1ccc([N+](=O)[O-])cc1)c1ccc2ccccc2c1	864010237	RUQCGNRXDVIDAJ-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(Cl)cc1F)c1ccccn1	885106938	NNBXEPDPAHKOJN-LBPRGKRZSA-N	321.783	3.901	50	20	DHGD	
N#C/C(=C/c1cnn(CC2CCC2)c1)C(=O)c1cccc(F)c1	899345497	NWAZYXXEUIBLHT-APSNUPSMSA-N	309.344	3.612	50	20	DHGD	
Cc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)o1	915200638	MGLSGHDXGDWIDZ-AWEZNQCLSA-N	313.488	3.961	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1F	915843708	TUOHMGBJWXDXAP-JHGYQOIGSA-N	304.340	3.567	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NNc2ccccc2Cl)o1	918077376	CIVTZNKXGUVMGS-CMPLNLGQSA-N	319.792	3.883	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)c1ccc(F)cc1F	1321295292	XERXDOUXLVVIKC-DTWKUNHWSA-N	321.161	3.643	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)ccc1Cl)c1nc2ccccc2[nH]1	1610618670	KHUGMJFYKAVYAU-XYOKQWHBSA-N	323.739	3.979	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNC(=O)c1cccc2ccccc12	74958494	IDRHUZUXHYXNJH-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
C[C@@H](CSc1ccccc1)C(=O)NNc1ccc(F)cc1	110619925	PKHGDADMFOHPNH-LBPRGKRZSA-N	304.390	3.697	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc2c(c1)CCCC2	115720850	HUNDSEPSWPPHGV-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
Cc1cccc(F)c1NC(=O)NNc1ccc(F)c(F)c1F	134086351	KDGWTPSBKSETDH-UHFFFAOYSA-N	313.254	3.700	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(OC3CCCC3)cc2)cc1	155125083	APEZVOIIRVXUAS-UHFFFAOYSA-N	321.380	3.637	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1cc(F)c(F)c(F)c1	178476081	MZXJIKPYYWCQIU-UHFFFAOYSA-N	322.330	3.833	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C[C@H]2CSCCS2)cc1	181154091	IGUJGLZTMWFKKZ-AWEZNQCLSA-N	324.515	3.666	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	192575183	RYKCRYQHGFVOKK-JXMROGBWSA-N	315.341	3.986	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@@H](C)c2ccccc2)cc1C	254616117	BFBXPOKWYIPYGI-MRXNPFEDSA-N	310.397	3.588	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCCC[C@H]1C(F)(F)F	274566891	DQQUIVYINPDVAR-WDEREUQCSA-N	318.314	3.946	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)oc2C(F)(F)F)c1	274588648	HUNDRNVIJHDLLC-UHFFFAOYSA-N	312.291	3.981	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(SC(C)C)cc1	276756526	QRECSPGEYKZVMA-UHFFFAOYSA-N	301.415	3.647	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC(C#N)(c2ccccn2)CC1	376596995	XSWPFXXICJJUDR-GIJQJNRQSA-N	314.392	3.503	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(-c2ccccn2)c1	490782085	GITSWGLXDBSXGC-LGMDPLHJSA-N	305.381	3.572	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)Cc1csc(C)n1	731923659	AXMHIYMSPZQRRH-UHFFFAOYSA-N	307.463	3.847	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)Cc1ccc(F)cc1	735030615	YMFGTBRKHWLHLV-HNNXBMFYSA-N	322.424	3.512	50	20	DHGD	
CC[C@H](C)C(=O)NN=C[C@@H](C)c1cccc(Br)c1	747633862	XXCQUYIZOZUJMQ-WDEREUQCSA-N	311.223	3.701	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)cc1	747693555	NTORRFNNMBQPNC-CWZPMPFHSA-N	320.367	3.914	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1)c1c[nH]c2ccccc12	747742808	AZLSARUEKCUNHS-SFKKUABISA-N	307.328	3.736	50	20	DHGD	
C/C(=C\C(=O)NNc1cccc(C#N)c1)c1ccccc1Cl	748030895	IMZIVXAGNSAWLT-FMIVXFBMSA-N	311.772	3.758	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccco3)s2)cc1	748113225	MMLGCPPYGBEQIZ-UHFFFAOYSA-N	309.350	3.637	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc2ccsc2[nH]1	748589204	VZSBSHBARXVPKV-UHFFFAOYSA-N	311.410	3.865	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc3nc(C(F)F)[nH]c3c2)cc1	749200354	BHRYQZGDTQREMJ-UHFFFAOYSA-N	316.311	3.566	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNC(=O)OC(C)(C)C	754173930	MUPVDKQIBXNKSV-OLZOCXBDSA-N	318.417	3.532	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(Cl)cc1O	768325058	RMHVKKOCVLDNFW-SNVBAGLBSA-N	320.614	3.794	50	20	DHGD	
C[C@@H](Cc1ccccc1F)C(=O)NNc1c(F)cccc1Cl	770190823	MYUKCOVWTGIMMR-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)c1cc2ccccc2o1	775770634	DSCVUPVDLPQJFX-ZDUSSCGKSA-N	316.401	3.800	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)C[C@@H](C)CC(C)C)cc1OC	779758534	ULZYDRVRYAOYOZ-ZDUSSCGKSA-N	320.433	3.882	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1ccc(Oc2ccccc2)cc1	782238318	REFXZXRDCGHXNA-UHFFFAOYSA-N	304.296	3.584	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ccc2ncccc2c1	785377870	BJHZJMZFBVDUIH-WQRHYEAKSA-N	314.344	3.885	50	20	DHGD	
Cc1cccc2ncc(/C=C(\C#N)c3cnc4ccccc4n3)n12	790231603	SOMNQQKBIGKEHG-NTEUORMPSA-N	311.348	3.650	50	20	DHGD	
Cc1occc1CNC(=O)NNc1cc(Cl)cc(Cl)c1	790242510	MHMPAEHKOFWTEE-UHFFFAOYSA-N	314.172	3.721	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCCC2)c1ccc([N+](=O)[O-])cn1	792907728	WPSODDACYJOVTD-YBEGLDIGSA-N	305.337	3.933	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(C)=O)cc1F	799759941	ZIWSGVUEPQFERD-UHFFFAOYSA-N	314.360	3.656	50	20	DHGD	
CO[C@H](COC(=O)/C(C#N)=C/c1ccccc1)c1ccccc1	801861442	HGGXGAJABZHTQZ-XCMFGDQWSA-N	307.349	3.524	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(-c2cccc(Cl)c2)on1	808131584	PGVREZCDYGICGT-UHFFFAOYSA-N	319.575	3.529	50	20	DHGD	
CC(C)N1CCC(N(C)CCO[Si](C)(C)C(C)(C)C)CC1	808719036	SHSNDSAJYFNMOA-UHFFFAOYSA-N	314.590	3.813	50	20	DHGD	
CC[C@H](CSC)NCc1ccc(OCCCCl)cc1	811486183	KGDDKFNUECZSCM-CQSZACIVSA-N	301.883	3.926	50	20	DHGD	
CCOc1ncccc1C(=O)NNc1c(C)cccc1C(C)C	812765097	VLGLXYZNCQJINA-UHFFFAOYSA-N	313.401	3.669	50	20	DHGD	
Cc1ccc(S(=O)(=O)CCO[Si](C)(C)C(C)(C)C)cc1	818059795	PQEVNLAVNOZKLK-UHFFFAOYSA-N	314.523	3.791	50	20	DHGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(Br)cc1	824209765	WZJFVLXQTRPGMX-MFKMUULPSA-N	311.223	3.719	50	20	DHGD	
Cn1cc(NC(=O)NNc2ccccc2)c(C2CCCCC2)n1	836709932	HWBZBRIPWWFEHB-UHFFFAOYSA-N	313.405	3.616	50	20	DHGD	
CC(C)Oc1cccc(C(=O)NNc2ccc(C(C)C)cc2)n1	837052690	JIGDBTLUMDDCON-UHFFFAOYSA-N	313.401	3.749	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNC(=O)c1ccccc1C	843753932	DSILTPHTXWFELF-AWEZNQCLSA-N	302.418	3.529	50	20	DHGD	
CC[C@@H](COC(=O)/C(C#N)=C/c1cccc(OC)c1)CC(F)F	845768872	NSEKJOOPWXRITJ-CWZJEYLYSA-N	323.339	3.827	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCc2cncs2)C1	852524363	QMQNCURRCFGTBJ-CYBMUJFWSA-N	312.555	3.782	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)NNc2ccc(C)c(F)c2)s1	856230037	GEZADCWQDIAJGU-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
C[C@]1(CNCc2cc3ccncc3s2)C[C@H]1Br	856809184	KHBHGLXKIABFHV-CHWSQXEVSA-N	311.248	3.559	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(C(F)(F)F)cc2)C[C@H]2CC[C@H]1C2	860320616	SYOXGNCQVBMQPG-ITDIGPHOSA-N	312.335	3.975	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccc(C)s1	917027286	FNHDQKFLYTVPMH-UHFFFAOYSA-N	311.410	3.621	50	20	DHGD	
CC(=O)[C@@H]1C[C@H](CC(=O)NNc2ccc(Cl)cc2C)C1(C)C	928336795	CTHNTJOSZMNECY-OCCSQVGLSA-N	322.836	3.733	50	20	DHGD	
C[C@@H](c1cccc(C(F)(F)F)c1)N(C(=O)CCl)C1CC1	1320466601	KNMHHZDXMUGJJE-VIFPVBQESA-N	305.727	3.996	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(N2CCCC2)nc1	1322511353	ZFZZRARTGUNXQL-ATVHPVEESA-N	317.392	3.780	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(OC)c2)cc1	1341110599	FRKJFOTUUKGIMN-XNTDXEJSSA-N	324.355	3.942	50	20	DHGD	
CC(C)c1nc(C(=O)OC[C@]2(C)C[C@@H]2Br)cs1	1344039219	VUCLHSMUNMHOOJ-CABZTGNLSA-N	318.236	3.597	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccc(OC)cc2)cc1	6431590	CBUSYNDRNYMMRD-FOWTUZBSSA-N	306.365	3.803	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1c(F)ccc(F)c1F	122699741	BDBUEQOQAZLXCI-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Cc2ccccc2Cl)c1	151358767	VNXKNVWHOWBAKC-CYBMUJFWSA-N	302.805	3.970	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1ccc(Cl)cc1Cl	178872374	RNBLKFOOQIEOAM-UHFFFAOYSA-N	301.095	3.779	50	20	DHGD	
COCc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	193032205	VGQTZQJOPZKLPD-GDNBJRDFSA-N	310.328	3.518	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc3c(O)nccc3c2)CCC1	285633395	HYDSSIIGGSENCM-UHFFFAOYSA-N	313.401	3.600	50	20	DHGD	
C[C@H](c1ccccc1F)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	491102260	HHJYTUSRIZJKEV-WDGDVPDHSA-N	324.355	3.658	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1scnc1C1CC1	491105618	QKLPAAIKRSIBBT-MDWZMJQESA-N	309.394	3.875	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(F)F)c1C	728823510	FBFQONTZCLHYOB-OQLLNIDSSA-N	323.387	3.536	50	20	DHGD	
O=C(NCCCc1cccc(Cl)c1)NNc1ccccc1	734273696	WCVFMTDKZGZIMP-UHFFFAOYSA-N	303.793	3.599	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/c3ccc4ncccc4c3)nc12	741470295	PRXOERIZFZZWDI-XNTDXEJSSA-N	311.348	3.879	50	20	DHGD	
O=C(CCC1CCCC1)NNC(=O)c1cccc2ccccc12	741581797	IWYNXAKSFHUQIJ-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
CCCCCCCOc1ccc(C=NNC(=O)N(C)C)cc1	745602275	PDQUXHCSOVTDMW-UHFFFAOYSA-N	305.422	3.641	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H]2C[C@]2(C)c2ccccc2)c(C)c1	745857378	KBRUHVLMFJHTEQ-FXAWDEMLSA-N	323.440	3.968	50	20	DHGD	
CC(C)(C)c1ccccc1NC(=O)NNC(=O)CC1CCCC1	755391168	BJAKPADAEPAYTG-UHFFFAOYSA-N	317.433	3.717	50	20	DHGD	
CCCC=NNC(=O)COc1ccccc1Cc1ccccc1	755508346	LOBLCYUMQYRVIO-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	768249902	DNLJPCXGISYUMV-GFCCVEGCSA-N	313.357	3.865	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(OC)c(OC)c1	769566331	COLGOHUDKDYHPH-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)Cc1cccc(F)c1	770358486	MIISSVBGIFEKDY-GHMZBOCLSA-N	317.198	3.579	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H](F)Cc1ccccc1	778391530	AKGMCBQJCPYHIE-KRWDZBQOSA-N	312.388	3.589	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	779208941	HTCNHXLCCHLTAZ-QWRGUYRKSA-N	316.323	3.855	50	20	DHGD	
CN(Cc1ccsc1)C(=O)[C@@H](Br)C(C)(C)C	781069518	CYCWLIDNETZKAK-SNVBAGLBSA-N	304.253	3.516	50	20	DHGD	
Cc1ccc(N2CCN(/C(=C\C#N)c3ccc(F)cc3)CC2)cc1	784387173	AIQOSVGTPZNNCU-JMIUGGIZSA-N	321.399	3.821	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCCCC1	787290630	PPMTYPCQCOKZQE-QIPRVMPFSA-N	312.413	3.774	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1cccc(F)c1[N+](=O)[O-]	790589106	UDRSFCMVALTQGN-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1)[C@@H]1CCC(C)(C)C1	794275111	MUXNZIQCKPHDNB-SCOADAFUSA-N	300.377	3.770	50	20	DHGD	
CCN(CC)C[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	808731784	AGHTWSQBVAZTJC-MRXNPFEDSA-N	314.590	3.672	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)Cc1nccs1	811465925	KTKBHYMPILLKKO-UHFFFAOYSA-N	310.850	3.783	50	20	DHGD	
COc1ccccc1-c1ccc(C=NNC(=O)CC2CC2)cc1	814989265	IQVNEKRQUXBYIS-UHFFFAOYSA-N	308.381	3.612	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2cc(F)ccc2s1	817008333	NZUJGGXMTKKVLK-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@@H]1c1ccccc1	832804880	XXDPEVQCQJMRQI-ZIAGYGMSSA-N	315.804	3.762	50	20	DHGD	
Cc1cccc2c1O[C@H](C(=O)NNc1ccc(C(C)C)cc1)C2	837058554	RBWPKKBXMRLIKP-KRWDZBQOSA-N	310.397	3.565	50	20	DHGD	
COC[C@](C)(NCCO[Si](C)(C)C(C)(C)C)C(F)(F)F	852718633	PTHJWGSPKOVHIN-LBPRGKRZSA-N	315.452	3.565	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NC[C@@]1(C)C[C@H]1Br	857397933	NOPZFCSZIDEVJQ-XNRPHZJLSA-N	324.262	3.778	50	20	DHGD	
CC(C)C[C@@H]1OCCC[C@H]1NC[C@H](CBr)C1CC1	859259153	DBFYSXXELVDPGB-ZNMIVQPWSA-N	318.299	3.591	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)C1CC2(CC2)C1	862517623	RQZKTBNXSNHPHW-UHFFFAOYSA-N	322.408	3.899	50	20	DHGD	
Cc1cccc(OCCCC(=O)NNc2ccc(Cl)cc2)c1	866005815	WSGMRGCOZGRPBN-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cc(Cl)ccc2C)n1	885125505	SAVCMELLKDPHCM-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)cc1	915973288	JCBFNXZJSSAPCI-UHFFFAOYSA-N	315.804	3.796	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C2CCC[C@@H](C)C2)cc1	916338385	VVUSDXJUGFSPQW-KGLIPLIRSA-N	318.417	3.535	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc2nc(C(C)C)sc2c1	921165166	WPFSKFJYLJTVSE-PKNBQFBNSA-N	315.398	3.802	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(C2CC2)oc1C1CC1	936001816	WPNOGVNLZZWIFO-UHFFFAOYSA-N	302.201	3.910	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1	1320698991	SYWIDWKABLYGTI-JTQLQIEISA-N	322.771	3.570	50	20	DHGD	
O=C(NN=C1CSCc2ccccc21)c1ccccc1Cl	1321692253	YRSCYTDQABTMRT-UHFFFAOYSA-N	316.813	3.721	50	20	DHGD	
C[C@@H](c1cccc(C#N)c1)N(C)C[C@H](CBr)C1CC1	1351402602	CLAUQBVZJYNFCK-LRDDRELGSA-N	321.262	3.972	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1ccc(C(=O)O)cc1F	1599891225	MQZHMEIIWLTOHJ-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
Cc1c(NNC(=O)NCCCCC(C)(C)C)cccc1C(=O)O	1600053685	OUCXNBGIVSPASM-UHFFFAOYSA-N	321.421	3.536	50	20	DHGD	
Cc1oc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1C(=O)O	1600838230	OZJGHRHSWFYNQM-WDZFZDKYSA-N	320.304	3.557	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc(/C=C\C(=O)O)cc2)sc1C	1777489489	YLSNFUGDVRSLLR-HNIGGUEPSA-N	310.378	3.922	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)C(=O)OCC)cc1OCC	6853640	UPCNWLSUFLFEDW-PTNGSMBKSA-N	317.385	3.734	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cc(F)cc(F)c1	45480634	UCQSMHIIJVDUAA-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2ccccc2)no1	47075327	PVMXCHROCOWJKL-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Br)c(F)c2)c1	109427575	DVMLXNCEFRRBFH-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COC[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	112940761	OAVXFEUMNNQVRJ-KBPBESRZSA-N	317.520	3.586	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc3ccccc3o2)cc1	114991882	GGOICRZVMNNGIC-GZTJUZNOSA-N	316.360	3.965	50	20	DHGD	
O=C(NCc1ccco1)NNc1c(Cl)cc(F)cc1Cl	119170502	CRKJGZKBHMRHSP-UHFFFAOYSA-N	318.135	3.552	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1	120216617	TVQAEKSKEVEKCW-UHFFFAOYSA-N	322.408	3.887	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1ccc(C(F)(F)F)nn1	124484824	CCAUCQWSUZSXGR-JTQLQIEISA-N	318.343	3.545	50	20	DHGD	
Cc1cc(Br)cc(C(=O)NNc2ccccc2F)c1	134999658	RTELUVBQXOVWLB-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2cc(Cl)cs2)c1	150800195	NYETWCLMOKJAFG-UHFFFAOYSA-N	312.797	3.925	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2scnc2C(C)(C)C)c1	158668231	LNOPVYYHDOMJEV-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cccc(Cl)c1F	159855525	OSKBHINLADZYRZ-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCOc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1O	169964433	WSNKHGMQLYBJEL-UVTDQMKNSA-N	319.364	3.742	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)o1	182436808	NWDAXMZXEBHURP-CDCQXCROSA-N	312.344	3.820	50	20	DHGD	
CC(C)[C@H](N)CCN(C)C(=O)CCCC[C@H]1CCSS1	236817872	LMMTWHROQINEAZ-UONOGXRCSA-N	318.552	3.532	50	20	DHGD	
O=C(NNc1ccccc1F)C1CCC(C(F)(F)F)CC1	278486954	VKQJWIOGOUYESE-UHFFFAOYSA-N	304.287	3.638	50	20	DHGD	
CC(C)(C)n1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)nn1	291720082	ZLXVKJIVAJLTEY-UXBLZVDNSA-N	321.306	3.511	50	20	DHGD	
CC(C)(CNC(=O)/C(C#N)=C/c1ccc(O)cc1)C1=CCCC1	491107579	VVCADQOJFUDFDV-RVDMUPIBSA-N	310.397	3.552	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)OC(C)(C)C)s2)cc1	734296996	XHHZNZLITZVALB-UHFFFAOYSA-N	317.414	3.977	50	20	DHGD	
C=CC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	735065928	LDCHUCDPYBTDQN-FNHQQPGVSA-N	313.445	3.749	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cc(Cl)ccc1O)c1ccccc1	744772709	AWRYIQFOACZRSW-NSHDSACASA-N	302.761	3.565	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1ccc(C)cc1	747361976	GXABYGPVJMVJDC-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC2(C)C)c1C	747398980	BTBBARFBUYQOKC-ATVHPVEESA-N	313.445	3.823	50	20	DHGD	
COc1ccc(NNC(=O)CCCc2sccc2C)cc1	749244622	UUKFWHHJPIZOKN-UHFFFAOYSA-N	304.415	3.531	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2ncccc2C(F)(F)F)C1	756774797	ULPQPYREESKAFI-JTQLQIEISA-N	315.339	3.760	50	20	DHGD	
CCC(CC)CC(=O)NNC(=O)Nc1ccc(C)cc1Cl	759489085	CZWPWOQFOGCLBL-UHFFFAOYSA-N	311.813	3.627	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OC/C(Cl)=C\Cl	766747210	WCTDEBOYJISYJF-PTYLAXBQSA-N	304.011	3.658	50	20	DHGD	
CC(C)(C(=O)NNc1ccc([N+](=O)[O-])cc1)C1CCCCC1	767084196	LQGIKTAYIGVRRY-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
C#C[C@H](CC)OC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	768048839	LRAGJKFCSHYNLW-XCMFGDQWSA-N	312.413	3.767	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc(Cl)cc1Cl	768492870	VPNTWFDNBYSBML-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1ccc(CC(=O)NNc2c(F)cccc2Cl)cc1C	770196542	HQXRYLFKJFRGJL-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2c(F)cccc2Cl)cc1C	770202259	OXYCQBRMVNKIGU-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc(O[C@@H](C)C#N)cc2)ncn1	773173494	ROELDYNQUZDPOH-FUEWVNAISA-N	322.393	3.554	50	20	DHGD	
COc1cc(/C(C#N)=C\c2c(F)cccc2F)ccc1[N+](=O)[O-]	774562950	VTBSIPUEYKRLFK-XFFZJAGNSA-N	316.263	3.946	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(CC#N)cc2)cc1	776115026	SWTXNRHKRAXIAI-UNOMPAQXSA-N	316.360	3.711	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1nccn1C(F)F	788012720	XEAFSWDKFDMVNV-UHFFFAOYSA-N	319.472	3.732	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccoc1C	794873975	VTQFDBFQRSUHKH-RVDMUPIBSA-N	317.348	3.872	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2ccc3ncccc3c2)o1	794883744	CYAGJVYSIQWEOJ-GDNBJRDFSA-N	318.332	3.764	50	20	DHGD	
N#C/C(=C\c1cc(Br)cs1)C(=O)c1ccoc1	798230370	QGKDEOXXOSJAPP-YCRREMRBSA-N	308.156	3.893	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(SC)cn1	799411721	SCJKGJDOTWKWKD-UHFFFAOYSA-N	316.430	3.823	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1nccnc1C1CCC1	805463270	QTDRJDYKNVNLIO-UHFFFAOYSA-N	324.428	3.799	50	20	DHGD	
CCSCc1cccc(NC(=O)NNc2cccc(F)n2)c1	806302371	CIJPAIXLWGGRKE-UHFFFAOYSA-N	320.393	3.622	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2csc(Cl)c2)cc1	814999094	KQVFZYHXMQUYQT-UHFFFAOYSA-N	323.805	3.956	50	20	DHGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)Nc1cc(F)cc(F)c1	815005918	BCCRKELTCXJCNW-UHFFFAOYSA-N	314.295	3.602	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(c3ccccc3C)CC2)cc1	817885831	OGOVWAXQZUVXEM-UHFFFAOYSA-N	310.397	3.569	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccnn2C(C)(C)C)cc1	836537415	PNVUAFFMKOFMHD-UHFFFAOYSA-N	315.421	3.910	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@H]2CCCC2(F)F)cc1	838674183	RWNBVXIOXBWGHY-CYBMUJFWSA-N	311.376	3.872	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(F)c(OC)cc1OC	844275015	NVDSCMRNGHSUGZ-NTUHNPAUSA-N	305.349	3.755	50	20	DHGD	
CC(C)n1ccc(CN(C)CCO[Si](C)(C)C(C)(C)C)n1	844344109	ROCSGCDOPQHLGR-UHFFFAOYSA-N	311.546	3.918	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)OCC(F)(F)F	853430233	AECBFIWEVHPXQI-UHFFFAOYSA-N	316.323	3.920	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856094341	GFBPKKFTJCZFGF-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
CCC[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)c1ccccc1	857408035	OMQJGBSZCJBFDM-DZKIICNBSA-N	324.262	3.860	50	20	DHGD	
C[C@@H](NNC(=O)C1(c2cccs2)CCCCC1)C(F)(F)F	862314372	ZZBFAXALFONWGP-SNVBAGLBSA-N	320.380	3.522	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)c1ccc([N+](=O)[O-])cc1	884003507	WIPWAUPYYIFUSJ-FOWTUZBSSA-N	316.320	3.845	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2CC23CCC3)C1	912581767	JUQQIGGCYUILGW-ZIAGYGMSSA-N	309.526	3.799	50	20	DHGD	
COc1cc(C(=O)NN=C(C)C(C)C)ccc1OCCC(C)C	916348894	PUHVUNYJXJQTPJ-UHFFFAOYSA-N	320.433	3.882	50	20	DHGD	
CC(C)CO[C@@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	917528292	UUTWHIXKWBPONU-INIZCTEOSA-N	324.424	3.616	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1	1318034813	LSAAZSWMYQTQRU-GHRIWEEISA-N	301.345	3.797	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C)c(C(=O)O)c1	1776117867	KRNJMVZULMSAQW-DHDCSXOGSA-N	320.348	3.547	50	20	DHGD	
O=c1[nH]c(CCCCl)nc2sc(-c3ccccc3)cc12	33521318	XUFNNKASHOJHHS-UHFFFAOYSA-N	304.802	3.823	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ncc(Cl)cc1Cl	132494676	VXMXMAMQAFGJBU-UHFFFAOYSA-N	300.189	3.600	50	20	DHGD	
COc1cccc([C@H]2CCCN2C[C@@H](C)CBr)c1	133524132	XTYIDZLRZVNGMQ-SWLSCSKDSA-N	312.251	3.863	50	20	DHGD	
Cc1nc2ccc(NC(=O)NNc3ccc(C#N)cc3)cc2s1	153644368	MDAFBDZBSIHENV-UHFFFAOYSA-N	323.381	3.625	50	20	DHGD	
CC[C@H](CC(=O)NNc1cc(F)cc(OC)c1)c1ccccc1	157347464	NSJKTYTVFAOPLR-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(CC1CCCCC1)C1CC1	188236013	FATPRYMAQZDUMS-SFQUDFHCSA-N	324.424	3.870	50	20	DHGD	
O=C(C[C@H]1CCCOC1)NN(Cc1ccccc1)c1ccccc1	195073057	HXJIPTWQJITAAW-GOSISDBHSA-N	324.424	3.541	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2O)cc1	255273686	JGXQIWASMFVIQT-PTNGSMBKSA-N	322.364	3.645	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1c(C)noc1Cl	281894358	YPEVVRALGXNCFJ-UHFFFAOYSA-N	321.808	3.583	50	20	DHGD	
CSSCCNC(=O)c1cc(C(F)(F)F)ccc1F	283908902	DJJQFUGFWCGYDO-UHFFFAOYSA-N	313.341	3.586	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(C)nc1)c1ccccc1	490692690	HOBNAABWNUNPEC-RLGUWMIQSA-N	305.381	3.565	50	20	DHGD	
Cc1ccsc1/C=C(\C#N)C(=O)NCc1ccc(F)cc1F	490701437	WXRWEBKBLDNOAA-WUXMJOGZSA-N	318.348	3.558	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1	588429913	YIFONHPPISJRBT-BUSCQBHZSA-N	324.330	3.544	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)Cc1ccccc1F	731330197	VEBVWMGJLKZVBP-AWEZNQCLSA-N	322.424	3.512	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C(C)c1sccc1C	733745270	HKFBNJMYLJHDFC-UHFFFAOYSA-N	316.426	3.538	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc(OC)c1	735618540	BLJGWFWXCKMGQC-AUWJEWJLSA-N	319.364	3.953	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)C1(C)C	736427104	KOLPZGXWZPIXNX-SFIVQVFOSA-N	318.461	3.510	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1oc(C(C)C)nc1C#N	742057548	BHWHARPOPJYJMI-LBPRGKRZSA-N	306.410	3.719	50	20	DHGD	
C[C@@H](C(=O)NN=C(c1ccccc1)c1ccccc1)C(F)(F)F	742516617	FDHWYSVILSQBQH-LBPRGKRZSA-N	320.314	3.754	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)CCOc1ccccc1	748551743	NVXXSRSJHZBOOK-CYBMUJFWSA-N	316.376	3.682	50	20	DHGD	
O=C(CCc1ccoc1)NNc1ccnc2cc(Cl)ccc12	753329809	JNUDGVRTZLRDQU-UHFFFAOYSA-N	315.760	3.557	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)cc1	756765786	HFSNLRPWPAMYPX-QLFBSQMISA-N	302.418	3.745	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(Cl)c2cccnc12	760253611	GQOSHTCGJQOZAT-UHFFFAOYSA-N	315.804	3.919	50	20	DHGD	
C[C@@H](Oc1cccc2ccccc12)C(=O)NNc1ccc(F)cc1	767501282	DNTYYURDYGUPGW-CYBMUJFWSA-N	324.355	3.890	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1Cl)c1cc2ccccc2o1	767789334	XBFIPYUKCZJWST-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
CSc1ccc(C(=O)OC[C@H](C)CBr)cc1	770323658	NWGZBEXQBUHJGK-SECBINFHSA-N	303.221	3.596	50	20	DHGD	
Cc1cccc2[nH]cc(CC(=O)OC[C@@H](C)CBr)c12	770368821	ZUKPMTFCSWNXLP-JTQLQIEISA-N	324.218	3.593	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1ccc(OC(F)(F)F)cc1	773491057	BSAPYVZXDFZMCE-VIFPVBQESA-N	322.352	3.560	50	20	DHGD	
CS[C@@H]1CCC[C@H](NC(=O)[C@H](Br)C(C)(C)C)C1	781092268	SVNROLDKZOXKFI-AXFHLTTASA-N	322.312	3.586	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1Cl	783710759	NKYWHKHIYQRESO-BNDQCTAISA-N	305.761	3.950	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)c1cccc(C#N)c1	785352709	ZECGEURHLPZCTC-XKYMITNMSA-N	302.333	3.770	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cccc(C)c2C)c1	786052107	YTBJLBMTDWRPOE-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
O=C(NN=CCCc1c(Cl)cccc1Cl)c1ccncc1	790136644	PUXAEMJEUVTIIV-UHFFFAOYSA-N	322.195	3.737	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CCC[C@@H]1Cc1ccccc1	790733455	XDVZCIIFNJEPCK-HUUCEWRRSA-N	324.515	3.708	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(Cl)nc1	791717251	RMVDCFSAGRLJHG-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@H]1C[C@H](c2ccccc2F)C1	798115384	NNBZNLUKHAUNRB-YEORSEQZSA-N	317.339	3.537	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1sccc1Cl	802830022	FOUGSKCLLALJSI-UHFFFAOYSA-N	318.732	3.760	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	812239805	FMIDOZFBGUXHAT-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1c(Cl)cccc1Cl	826970315	JLWFXEASGCKRPR-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cnn(C(C)C)c2)cc1	836440511	HBQYDCVZGPHYDX-UHFFFAOYSA-N	301.394	3.736	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C1(C(F)(F)F)CCC1	836935921	VZMLNMXEMGUICU-UHFFFAOYSA-N	306.715	3.824	50	20	DHGD	
CC[C@@H](C)c1ccc([C@@H](NC(=O)NN)c2cccs2)cc1	841667648	PTXCLDJIUBYTBH-IAQYHMDHSA-N	303.431	3.524	50	20	DHGD	
CC[C@@H](C#N)C(=O)NNc1c(Cl)cc(Cl)cc1Cl	845069883	JEJFVSQUXHHWLY-LURJTMIESA-N	306.580	3.640	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(F)cc2OC)CCCCC1	846641175	XRKKBZYBSOFVTL-UHFFFAOYSA-N	306.381	3.804	50	20	DHGD	
Cc1ccc(C)c(NC(=O)NC[C@]2(C)C[C@@H]2Br)c1	856808552	AKVMYLDIZPQLIP-JSGCOSHPSA-N	311.223	3.598	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	857653713	JZJADNFIKGBISQ-BOPFTXTBSA-N	301.434	3.584	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cc1	863096437	HXCUWEMNCXOXAM-VIFPVBQESA-N	324.293	3.632	50	20	DHGD	
CCCc1ccc(C(=O)NNc2ccc(F)cc2OC)s1	879757956	JMCKKDNKJQAHGA-UHFFFAOYSA-N	308.378	3.605	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)c2nc(C3CC3)cs2)o1	899345958	ZAJAWLRRBVNOHB-XYOKQWHBSA-N	316.382	3.703	50	20	DHGD	
Cc1ncccc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912580443	QZHSICNSIIUMGQ-CQSZACIVSA-N	320.509	3.626	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1nc(C)sc1C	916254323	URVDKBJPVSXQNW-UHFFFAOYSA-N	307.806	3.567	50	20	DHGD	
CCCn1c(C=NNC(=O)c2ccccc2C)nc2ccccc21	917543495	JZVXIODNXJLFGT-UHFFFAOYSA-N	320.396	3.519	50	20	DHGD	
O=C(NCCc1nc2ccccc2s1)C1CCC(Cl)CC1	1123580011	AFAHRPLTAKRFBA-UHFFFAOYSA-N	322.861	3.753	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@H]1CCC[C@@H]1c1ccccc1	1326479933	CCYVTYKOULMKJK-KGLIPLIRSA-N	316.351	3.992	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776751340	RGJKSWQXJQCIFP-JTTRITNRSA-N	307.296	3.575	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1C	11293370	DZPITRTZEOXUDN-RVDMUPIBSA-N	322.364	3.558	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nn1cnc2ccccc21	28079660	QBZXDBQSXAJWEW-LBPRGKRZSA-N	321.471	3.821	50	20	DHGD	
Cc1cc(C(=O)CCC(=O)NNc2ccc(F)cc2)c(C)s1	42065175	WLDPHVOOWBAYGS-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(C)c(F)c1	67427910	OEWRSMALRRZEPX-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
Cc1ncsc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	78692420	ZKWCDGPWXHPLCG-WDZFZDKYSA-N	317.801	3.959	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	120120568	GZBSMUTZUQIBNP-DHZHZOJOSA-N	314.332	3.732	50	20	DHGD	
COc1ccc2oc(C(=O)NNc3ccc(C)cc3)c(C)c2c1	120407063	UBQCKWAUTLOWEA-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2ccc(C(F)(F)F)cc2)s1	153823455	PUBGYPSUWDCZCE-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccccc1)c1cc(F)ccc1F	156106368	LSMLWZBYEGSERE-OAHLLOKOSA-N	305.328	3.742	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2c[nH]c3cc(F)ccc23)c1	158781020	COHAELWQVHYFCP-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc2[nH]ccc12	176179074	CUPGTUVSJXWPGM-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@@H](c1ccccc1)C1CC1	179270066	WYCMSFPAEQNGEI-IBGZPJMESA-N	317.392	3.872	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2c[nH]c3ncccc23)cc1	181120157	KCMNQSIPTDSYPI-UHFFFAOYSA-N	322.412	3.546	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC[C@@H]1CCCCO1	181594532	MEQKAGFZKRAVIK-UONOGXRCSA-N	317.520	3.776	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cc(F)ccc1F	254572705	RLXAINFBPFDNKG-JHGYQOIGSA-N	304.340	3.567	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(OCC(F)F)cc1	255138432	XOHHCDVFCWVRFD-GXDHUFHOSA-N	322.355	3.544	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccc(F)cc1C	293340697	KDQBKDFSMUWOLU-UHFFFAOYSA-N	315.392	3.972	50	20	DHGD	
Cc1csc([C@H](NC[C@H](C)CBr)C2CC2)n1	309424755	KGCNTYTYQCCXPV-LDYMZIIASA-N	303.269	3.523	50	20	DHGD	
C[C@@H](CN(C)C(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	491010008	LFQYSGSTEIDSKF-BRFSQIRFSA-N	320.392	3.561	50	20	DHGD	
CN(N=Cc1cccc(OCCCC#N)c1)C(=O)OC(C)(C)C	491119779	XMSFDNCOQKADKE-UHFFFAOYSA-N	317.389	3.570	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cscc1C(F)(F)F	491127131	AICBTKUUTSOHEX-WEVVVXLNSA-N	302.321	3.590	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1ccccc1F	491173283	CFBHXJWEBDWYKN-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)cn1	491177610	XYYTXEBBXIJKED-YBEGLDIGSA-N	314.348	3.682	50	20	DHGD	
CC(C)C(=O)NN=Cc1cccc(OCCCc2ccccc2)c1	731923806	FOMRJZXOYGADQP-UHFFFAOYSA-N	324.424	3.804	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cccc(OC(F)F)c1	737431804	NQFZFJBBWXKJOA-GFCCVEGCSA-N	322.355	3.974	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)c(Cl)c1	741468455	GPMJIJSPXFLWON-GHXNOFRVSA-N	324.771	3.993	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2sc(C)nc2C)c(Cl)c1	741765710	KFCJRCGCVLRKKR-UHFFFAOYSA-N	322.821	3.877	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)c1cccc(Cl)c1	741886146	XVFKRYVAPGSXHG-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2ccc(Cl)nc2)c1	743817224	UQTQATGUCZGUSU-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
C[C@H](CCOc1ccccc1)C(=O)NNc1cccc(Cl)c1	744463417	DUZOOIZYVHXIFC-CYBMUJFWSA-N	318.804	3.888	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2cccc(Br)c2)C1	748030445	SGSIROIJEUVGSD-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)[C@@H](C)Cc1ccccc1[N+](=O)[O-]	761259572	WCEFPFBSJXCDQN-LBPRGKRZSA-N	319.405	3.702	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)c1c(C)nc2ccccn12	764660021	SQAYZJQPUVUODR-UHFFFAOYSA-N	300.406	3.575	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C1	764787573	ZTPOBHPUBUJUGQ-NSHDSACASA-N	316.430	3.824	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccccc1Cl	768312399	ZIZLWRQYBWKKBM-IUODEOHRSA-N	310.825	3.769	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)o1)C(=O)c1ccc(OC(F)F)cc1	776260078	WFTSIDBQLRVYEL-XFFZJAGNSA-N	314.247	3.543	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccccc1C(=O)OC	780739273	YRKSNRCLORTXDQ-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
CCC(CSc1ccc(Cl)cc1)=NN(C)C(=O)OC	794963787	LFHADLZGUWXWCA-UHFFFAOYSA-N	300.811	3.896	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CCC[C@@H]2C)cc1	799058759	CVVOODZPAVTXBD-AHEZAYJZSA-N	312.413	3.545	50	20	DHGD	
COc1ccccc1C[C@@H](C)CC(=O)N(C)CC(Cl)Cl	808248901	WVXFZJIWOMHBRL-LLVKDONJSA-N	318.244	3.526	50	20	DHGD	
CC[C@@H](C=NNC(=O)CNc1ccccc1F)c1ccccc1	814713158	CNXARUXUUUWFRV-AWEZNQCLSA-N	313.376	3.533	50	20	DHGD	
CCc1ccc(C#CC(=O)NNc2cccc3c2CCCC3)cc1	815854138	PNVJOIMQKJDCLJ-UHFFFAOYSA-N	318.420	3.623	50	20	DHGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747861	XZTOGGFCWAMFBZ-ZANVPECISA-N	302.205	3.514	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)C2(C#N)CCC2)C1	826684390	NXMLQFGMAZRBAN-AWEZNQCLSA-N	322.525	3.693	50	20	DHGD	
COC(=O)c1cc(NNC(=O)[C@@H](C)CCC(C)(C)C)ccc1F	837037568	VDBFOMWHOJVHFA-NSHDSACASA-N	324.396	3.518	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2ccoc2)c(C2CCCCC2)n1	840719762	LSRMXKIDBGTDBZ-OQLLNIDSSA-N	309.369	3.851	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(CC)[C@@H]2C[C@H]2C)cc1OC	841611927	CPUJMEJUBKCYSW-TZMCWYRMSA-N	318.417	3.636	50	20	DHGD	
Cc1cnc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)o1	844335585	FSYOXZSBIGSBDG-AWEZNQCLSA-N	310.514	3.969	50	20	DHGD	
C[C@@H](O)CCCN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844337892	VXMAYUHFXCOKGK-CABCVRRESA-N	301.547	3.634	50	20	DHGD	
CCOC1CCC(=NNC(=O)Nc2ccc(Cl)cc2)CC1	853353037	OCTRSQIZXRARGV-UHFFFAOYSA-N	309.797	3.797	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2cnc(F)cn2)C1	853896413	AYLYDRCKSOFQLK-LBPRGKRZSA-N	311.477	3.606	50	20	DHGD	
C=C1CCC(C(=O)NNc2ncc(Cl)cc2Cl)CC1	897427854	QPBFUXIJMJPXJM-UHFFFAOYSA-N	300.189	3.578	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1C	917213894	CLSHBITYUBWUCO-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CCn1cc(C=NN(C)C(=O)OC(C)(C)C)c2ccccc21	920378096	NGIIMBFOCDNVQS-UHFFFAOYSA-N	301.390	3.862	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1ccc(-c2ccccc2F)s1	920828396	IBNVVHJXRSCJAC-UHFFFAOYSA-N	317.389	3.597	50	20	DHGD	
Cc1cc(NNC(=O)c2cnc(C(C)C)s2)ccc1Cl	928341082	NNOFYRYBSRYEEA-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1)c1ccc(F)cc1F	1253442791	NVTQANYWUVKZLN-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC/C=C/C2CC2)c1C	1326370309	JKNWPJJCONQSSV-VAZLAWSESA-N	311.429	3.504	50	20	DHGD	
CCCCCCCCC(=O)NNc1ccc(C)c(C(=O)O)c1	1595704999	MYBZSCCQYZKYIP-UHFFFAOYSA-N	306.406	3.887	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	48003	VJAQFMDVYWTVIR-JLHYYAGUSA-N	312.756	3.894	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Oc2ccccc2)cc1	10156379	FYTAOJVSUANCNC-YPKPFQOOSA-N	308.337	3.861	50	20	DHGD	
Cn1c(C(=O)NNc2cccc(Cl)c2)cc(Cl)c1Cl	47435575	NLODLQJVOHWUKU-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)N3CCCC3)cs2)cc1	60421578	XZTVIRCUOUAKGQ-XNTDXEJSSA-N	323.421	3.648	50	20	DHGD	
O=C(NNc1ccccc1)c1ccccc1C(=O)c1ccccc1	66609815	RGDZKIGCUULLIT-UHFFFAOYSA-N	316.360	3.675	50	20	DHGD	
Cc1ccnc(-c2ccc(NC(=O)NNc3ccccc3)cc2)n1	120580485	KWZBLCYXLPRUOS-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3ccccc3)no2)c1	122467238	FIDZJYIEDTUJAZ-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2cccc(Cl)c2)cc1Cl	122724899	FZNBKTSYWOCOKB-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
O=C(NC[C@H]1CCCS1)NNc1ccc(Cl)cc1Cl	126582472	MCZCCWDFWGQWIS-SECBINFHSA-N	320.245	3.515	50	20	DHGD	
CC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCCCCC1	132318437	WLGOMRAQKOTHAE-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ncccc2Cl)cc1	151830530	YTUIGQGUYMBBBF-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1csc(-c2ccoc2)n1	158248176	UGAWKKYCXQUKGK-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(Cl)c(OC)cc1Cl	179059856	MDKPJAQEVNYZNR-BJMVGYQFSA-N	312.152	3.638	50	20	DHGD	
Cc1coc(-c2ccc(C)c(NC(=O)NNc3ccccn3)c2)n1	180700035	UWJNYGCEEAOZOB-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCCOc1cccc(F)c1	184313816	CMAHMLZALNRYTD-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1c(F)cccc1Cl	286173646	UJHAOBZNLRRBPG-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CC[C@@H](CC(F)(F)F)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490878408	ODGDEJUCEXNZST-YLBKJLTLSA-N	314.282	3.580	50	20	DHGD	
Cc1ccc(/C=C/C(=O)NNc2c(C)cccc2C(C)C)cn1	493746039	MXGVGCVAOFZFKO-ZHACJKMWSA-N	309.413	3.978	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@H](C)O2	726118297	LLTMRXYJHQNRJA-LUMBYOQCSA-N	313.397	3.931	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1ccccc1	728437388	BQEBKYWDNGNKQP-JXMROGBWSA-N	306.152	3.517	50	20	DHGD	
CCC(=NNC(=O)c1cccc2ncccc12)c1cccs1	730147574	WVVRROBUSWWVAK-UHFFFAOYSA-N	309.394	3.840	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2cc(F)c(F)c(F)c2)cc1	730431478	QKOPURLJEIHPTD-UHFFFAOYSA-N	320.314	3.820	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1nc2ccccc2s1	734278979	PVTCKVFQZFKDRP-NSHDSACASA-N	312.398	3.684	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H](C)c1cccs1	737494670	WJPCTBJOUXAZQI-LLVKDONJSA-N	305.355	3.982	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)[C@H](CC)c2ccccc2)C12CCC2	741164315	GLMHJYPTVDCTMC-NVXWUHKLSA-N	314.429	3.632	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)CCCC1CCCC1)c1ccccc1	742661619	RBUMGBHXHRZDQB-KRWDZBQOSA-N	316.445	3.688	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1csc2ccccc12	743818251	PHWGNLLHZAKRAM-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNc2cccc(F)c2)c1	748088208	AGVULOGNCJXCHO-CYBMUJFWSA-N	316.376	3.860	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NNc1c(F)cccc1F	748175188	BKJQBKZRHZHPQO-UHFFFAOYSA-N	304.340	3.677	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc(C(F)F)cc1	748769158	DASLCLBKZMXKOX-UHFFFAOYSA-N	313.307	3.929	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)s1	751426589	IMMDGONCBLCCBZ-CJAAZZPWSA-N	314.385	3.980	50	20	DHGD	
O=C(Cc1cccs1)Oc1ccc([N+](=O)[O-])c2ccccc12	757424424	BWUHKCRINJYSNX-UHFFFAOYSA-N	313.334	3.958	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccc(Br)cc2)C1	759196340	LJRUHYDDTJSKEC-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3c(F)cccc3F)cc2s1	762136974	GPVJQVIRULDQLW-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
O=C(NCC1(c2ccccc2Cl)CC1)NNc1ccccc1	764489538	HCZVAAFESISFFI-UHFFFAOYSA-N	315.804	3.698	50	20	DHGD	
CC(Cc1ccncc1)=NNC(=O)c1ccc(Cl)cc1Cl	767765123	JNDMSXLRBLXECQ-UHFFFAOYSA-N	322.195	3.737	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CCCc2occc21	781073727	OLMQGWOPHGXOHQ-JQWIXIFHSA-N	314.223	3.583	50	20	DHGD	
O=C(NNc1ccccc1F)c1ncsc1-c1ccccc1	783679569	OIRDCTZHXNEQFI-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
Cc1cccc(-c2nnc([C@@H](C)OC(=O)/C(C#N)=C\C3CC3)o2)c1	786667607	ABCLJNIFGIXYFV-CDCQXCROSA-N	323.352	3.509	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)c3nc4cccc(C)c4[nH]3)cn2c1	789141386	DPQRIHIGRVWZAO-RIYZIHGNSA-N	313.364	3.892	50	20	DHGD	
CCc1c(C(=O)NNc2cccc(C)c2)cnn1C(CC)CC	792224900	YWBCIGVVXIGKHD-UHFFFAOYSA-N	314.433	3.872	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1	794872906	ALJKUHZEGVYNEH-IZZDOVSWSA-N	307.777	3.966	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1C#N	799706172	ZAYLLFCTKHZRQO-UHFFFAOYSA-N	305.381	3.502	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C(F)(F)F)s1	802829107	UWKNCTMWGCPDEC-UHFFFAOYSA-N	318.295	3.971	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NNc1cnccn1	803119007	LZUTYVINWGCEKV-FVRSWCFKSA-N	316.449	3.552	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1ccc(F)cc1	810021497	HQTONMDDDJVIHD-UHFFFAOYSA-N	306.768	3.945	50	20	DHGD	
CCn1cc(CN(C)Cc2ccc(OCCCCl)cc2)cn1	811463831	ILDSPFKMPHZWBI-UHFFFAOYSA-N	321.852	3.543	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc3cc(C)ccc3n2)cc1	817885883	OUKBQKDEAYZBLL-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1ccc(-c2cccs2)cc1	818197036	JGHFHGPXFBOADV-UHFFFAOYSA-N	321.405	3.964	50	20	DHGD	
CN(NC(=O)[C@H](Sc1ccccc1)c1ccccc1)C1CC1	819643679	JVGXPLUTKHQBOZ-QGZVFWFLSA-N	312.438	3.645	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)Oc2ccccc2F)cc1	837056161	VMXJIVMVMJDDJZ-CYBMUJFWSA-N	316.376	3.860	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(F)c(C(F)(F)F)c(F)c1	837645911	LOLICLXIPKPRKK-UHFFFAOYSA-N	322.060	3.517	50	20	DHGD	
CC[C@@H](C)CC(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848388262	LTARCJHQVUDQQL-SECBINFHSA-N	324.837	3.738	50	20	DHGD	
N#C/C(=C/c1ccnn1CC1CC1)c1cc(C(F)(F)F)ccn1	849251198	ZHOJJRHOIATTFU-GHXNOFRVSA-N	318.302	3.771	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccnc(Cl)c1	855465754	BQHWLHYDQQNBSJ-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3ccc(Cl)cn3)CC2)c1	856095633	QKEKRXSPQFFXOD-UHFFFAOYSA-N	315.804	3.527	50	20	DHGD	
C=CCCCC(=O)NNc1ccc(Cl)cc1Br	856231847	ASIRZSMUDXXAGK-UHFFFAOYSA-N	317.614	3.902	50	20	DHGD	
CSSCCNC(=O)/C=C\c1ccc(SC)s1	861575527	JMMMASPQEABLTG-HYXAFXHYSA-N	305.515	3.611	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cc(Cl)ccc2C)c1C	885123996	LOWRBPYQGYCYDM-UHFFFAOYSA-N	319.792	3.553	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1noc2c1CCCCC2	885127799	XMCXQWUOLFEDGT-UHFFFAOYSA-N	319.792	3.662	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H]2C[C@@H]2C)c1C	915289703	BISMPAUAUDIWDH-UTGNIXMWSA-N	313.445	3.584	50	20	DHGD	
O=C(NCCSc1ccccc1)NNc1ccccc1Cl	915925688	QVPSUHKUBSPRCH-UHFFFAOYSA-N	321.833	3.758	50	20	DHGD	
CCCC(=NNC(=O)c1c(C)nc2ccccn12)c1ccccc1	915929867	LIGCQRGTDFCWPA-UHFFFAOYSA-N	320.396	3.577	50	20	DHGD	
Cc1nc(C=NNC(=O)c2ccc(Cl)cc2Cl)cs1	916360362	RFSLAMYAJBWJTL-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
Cc1ccccc1CNC(=O)NNc1ccccc1C(F)(F)F	918188982	PWISYYLGYXVZSS-UHFFFAOYSA-N	323.318	3.840	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ccc([N+](=O)[O-])cc1	935016461	IEQRSUKOPYFHQE-UHFFFAOYSA-N	317.345	3.551	50	20	DHGD	
CC(C)N(Cc1cc(Br)ccc1F)C(=O)CCl	1341509858	ONAASMFBBCNZJU-UHFFFAOYSA-N	322.605	3.564	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(C)c(Cl)c2)CCO1	1342019697	QXZOBDUMCXEYMX-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
CC(=O)Nc1ccc(C)cc1NC(=O)C1CCC(Cl)CC1	1348771911	FCVPGOCRICMAFF-UHFFFAOYSA-N	308.809	3.690	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)NCc1ccco1	95350680	FOBSJGIEMMZFLS-XFFZJAGNSA-N	321.163	3.810	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3ccccc3c2)nn1	118527494	HYHJOKPLXBFZQK-UHFFFAOYSA-N	320.396	3.684	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Nc2ccccc2Cl)c1	126476397	DEKYODWGMXEGMI-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
C[C@H](C(=O)NNc1ncc(Cl)cc1Cl)c1ccccc1	132619867	GOHFNNYJWBQWNR-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
C[C@H](CBr)CN(C)Cc1cc(F)c(F)c(F)c1	152810893	NIFNNWHECYYBDT-MRVPVSSYSA-N	310.157	3.567	50	20	DHGD	
CCCn1ncc(C(=O)NNc2ccccc2Cl)c1C1CC1	158932883	IJACFLIDQGRPBO-UHFFFAOYSA-N	318.808	3.581	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(F)c2cccnc12	164639889	NEFIPLZXJLIMTO-SDNWHVSQSA-N	311.360	3.587	50	20	DHGD	
O=C(NNc1ccncc1)c1ccc(-c2ccc(F)cc2)s1	180455875	ZPXSAPOLQFGRPS-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
COc1ccc(CC(=O)NNc2ccc(C(C)(C)C)cc2)cc1	181147327	ZMNISNQRCNWLJH-UHFFFAOYSA-N	312.413	3.679	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1ccc(F)cc1	191257079	BLXZOFSORNXQRI-NTCAYCPXSA-N	317.323	3.801	50	20	DHGD	
N#C/C(=C/c1cc2ccccc2o1)C(=O)NCc1ccccc1	192538279	OOCKSVNIBWGHDM-WJDWOHSUSA-N	302.333	3.656	50	20	DHGD	
Cc1ccc([C@@H](C)N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	194149999	IFJWDUZWJBJPND-PWDRBQJJSA-N	320.392	3.827	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cn1	194526870	GXSFHOHBLGWAEX-LFYBBSHMSA-N	301.708	3.566	50	20	DHGD	
CC1CC(C(=O)NNc2ccncc2)(c2cccc(Cl)c2)C1	296903745	ZKYCJJIFXGTFTH-UHFFFAOYSA-N	315.804	3.546	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)c1csc2ccccc12	733810357	FSSKVLBLIBYDJO-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
C[C@@H](CNC(=O)NN(C)c1ccccc1)Sc1ccccc1	743691164	VTLOZFRZXXCLMA-AWEZNQCLSA-N	315.442	3.518	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1cc2cc(C)c(C)cc2o1	749158650	RKSAUVAZGWHTJY-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C(C(C)C)C3CC3)n[nH]2)cc1	750934709	OFXGJTUWQIKEHH-UHFFFAOYSA-N	310.401	3.537	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CC(c2cccc(Cl)c2)C1	753922975	ACZDLILWCSOJJJ-UHFFFAOYSA-N	304.699	3.642	50	20	DHGD	
CCCC1(C(=O)NNc2ccnc3cc(Cl)ccc23)CC1	761000924	FKSDRJKHIBYVCS-UHFFFAOYSA-N	303.793	3.912	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1sccc1C1CC1	770360679	UBEFXJJABXUFAH-QMMMGPOBSA-N	303.221	3.813	50	20	DHGD	
C/C(=C\C(=O)OC[C@@H](C)CBr)c1ccc(F)cc1	770363517	WIFVURMPVSBSKR-VUBLIPMDSA-N	315.182	3.803	50	20	DHGD	
C[C@@H](CBr)CN1C[C@H]2CCC(=O)c3cccc1c32	770668038	IFFINAMNHBMZFB-WDEREUQCSA-N	308.219	3.598	50	20	DHGD	
Cc1c(C#N)cccc1NC(=O)NNc1c(F)cccc1Cl	771177900	CKSVWTFXBWOPNI-UHFFFAOYSA-N	318.739	3.808	50	20	DHGD	
CCCC[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	776644619	CHLORQZYCGBKLL-QJJMHWKSSA-N	312.413	3.774	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cc(F)c(OC(C)(C)C)c(F)c1	782180030	ULAATAPYGXFXNE-MDZDMXLPSA-N	324.327	3.525	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)NCc1ccc(F)c(F)c1	786051693	CGMJBPATHYWIAL-HASPRUBHSA-N	324.330	3.744	50	20	DHGD	
COc1cc(NNC(=O)NC2CCCCCC2)ccc1Cl	788845777	NNMIQHGGTJLOKH-UHFFFAOYSA-N	311.813	3.698	50	20	DHGD	
CSc1c(F)cccc1C(=O)OC[C@H](C)CBr	797922394	LVZZGPMSUCUGLT-MRVPVSSYSA-N	321.211	3.735	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)c1nc(-c2ccccc2)no1	798344445	GDBDUUZUYSOIDY-OQLLNIDSSA-N	319.368	3.887	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1ccc(F)cc1F	798981973	XORXTBCLYOLKEV-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C(C)(C)C1CC1	807121872	MNWKDMSTIOKJKP-UHFFFAOYSA-N	311.223	3.637	50	20	DHGD	
COC(=O)CC(C)(C)CC(=O)NNc1c(C)cccc1C(C)C	812767756	SLPUIQXHMZYAOQ-UHFFFAOYSA-N	320.433	3.541	50	20	DHGD	
Cc1cccc(Br)c1C(=O)NNc1ccc(F)cc1	813403364	XSTRKRCSNOUXHJ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2cccc3ncccc23)s1	814841718	UQXASTHWBAXEGK-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1cc(C)ccc1O	815006975	JPHWITRGNGPPDZ-UHFFFAOYSA-N	319.311	3.525	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2cccc(Cl)n2)s1	817010633	KJUBLENFGKNNBR-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CCCCCCCCCN(C)C(=O)/C(C#N)=C/c1cnn(C)c1	822697007	DOGZZSUKSZLTFL-SFQUDFHCSA-N	316.449	3.536	50	20	DHGD	
Cc1ccc(NC(=O)NN(C)C2CC2)cc1OCCC(C)C	824198087	BLIUISDBQUMLQB-UHFFFAOYSA-N	305.422	3.551	50	20	DHGD	
COc1ccc(NNC(=O)C2=C(c3ccccc3)CCCC2)nc1	830544483	LPRJYIFMXAFTDT-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H](C)c1c(C)noc1C	836933177	BCEBZCMQKDYOBR-VIFPVBQESA-N	307.781	3.500	50	20	DHGD	
C#CCCCCC(=O)NNc1ccccc1Cc1ccccc1	846464968	WVFHLIIGULETCH-UHFFFAOYSA-N	306.409	3.914	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1CCC[C@H](C(F)(F)F)C1	855367807	SBLFXUCSCPZVRN-QWRGUYRKSA-N	318.314	3.946	50	20	DHGD	
CC[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(F)cc1O	857083799	ZZCGNFOWAWAOFE-UBHSHLNASA-N	316.214	3.746	50	20	DHGD	
Cc1cccc(Cl)c1C(=O)NC[C@@]1(C)C[C@H]1Br	857688953	RUKGTSOMBDSKEX-ZWNOBZJWSA-N	316.626	3.552	50	20	DHGD	
CC(C)c1ccc(/C=C\CC(=O)NN[C@@H](C)C(F)(F)F)cc1	862315955	IBNQPVMCTMLXFI-RXNFCKPNSA-N	314.351	3.785	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cncc(C(=O)O)c2)s1	899371168	NRBDUQAGHORKDB-WCIBSUBMSA-N	313.382	3.598	50	20	DHGD	
CCCCc1ccc(C(C)=NNC(=O)CC(F)(F)F)cc1	917550637	JBSSWEXAYJPEMA-UHFFFAOYSA-N	300.324	3.822	50	20	DHGD	
Cc1cc(C)c2c(c1)C(=NNC(=O)c1ccccc1C)CCO2	920369759	CKNUOUUKHVHIQP-UHFFFAOYSA-N	308.381	3.528	50	20	DHGD	
CCN(C(=O)c1cccc(CCl)c1)[C@@H]1CCOC(C)(C)C1	1262625863	WQAIRFUAKGCMDF-OAHLLOKOSA-N	309.837	3.845	50	20	DHGD	
O=C(CCl)Nc1ccc(Sc2nc3ccccc3[nH]2)cc1	1319681876	LGRMUDZSMKHJPQ-UHFFFAOYSA-N	317.801	3.891	50	20	DHGD	
COc1cc(F)cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	1320187129	PTRCWDZWZFRDJH-WUXMJOGZSA-N	314.291	3.519	50	20	DHGD	
CC(Cc1ccccc1Cl)=NNC(=O)c1ccc(Cl)nc1	1323150710	AQPKVHALIHSBQZ-UHFFFAOYSA-N	322.195	3.737	50	20	DHGD	
COc1ccc(C[C@@H](C)N(C)C(=O)C2CCC(Cl)CC2)cc1	1347536506	GAWNJORMKFRXEZ-IUDNXUCKSA-N	323.864	3.882	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(Cc2cccnc2)CC1	1349393138	ZBKGJUPEQKWUND-UHFFFAOYSA-N	320.864	3.660	50	20	DHGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1cccc(C(=O)O)c1	1776095456	ZEIYDPUJAVGULY-ZDUSSCGKSA-N	316.401	3.707	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OC(=O)[C@H]1O[C@H](Cl)CS1	2048532467	UAPSOKRVEPQQFQ-SSKLVLDBSA-N	306.855	3.645	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCCCO2)c1nc2ccccc2[nH]1	48333188	IRFFCVMVQMCXIT-KAMYIIQDSA-N	317.348	3.788	50	20	DHGD	
CSCc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	66326210	OXVJIECECPNVEF-UHFFFAOYSA-N	308.353	3.585	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(F)c(F)c(F)c2)c1	76106301	WGCXQHGTKXUMDS-SDQBBNPISA-N	316.282	3.958	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2ccc(F)cc2F)cc1	78225745	JRWMXLQDJHRTDS-UHFFFAOYSA-N	319.355	3.568	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1ccccc1Br	153385956	CQAYOGSPECMLBG-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(C#N)cc1)c1cccc(Cl)c1	155759278	RAINZOGBXYODSH-XFXZXTDPSA-N	311.772	3.758	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cccc(Oc2ccncc2)c1	172000916	PZSVSUXFLLFXIL-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CC[C@H](NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1	178669252	ILEFGUWGHFWHMR-HNNXBMFYSA-N	312.344	3.958	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C)cc1	179175068	UXMJSXDTMDEGRP-ATTDUZETSA-N	322.412	3.788	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cccn2C)cc1	208719526	DZIFAVIGADNJCV-SSZFMOIBSA-N	307.397	3.913	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2c[nH]nc2C(C)(C)C)ccc1[N+](=O)[O-]	254925308	OKBXZQFWDLMKKQ-JYRVWZFOSA-N	310.357	3.988	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c(F)ccc(O)c2F)cc1	490695136	MCDAXQAOZJRVFQ-FLIBITNWSA-N	314.291	3.525	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cnc(C(C)(C)C)nc2)cc1	491127719	BQYJOONKOVHVQD-DHDCSXOGSA-N	320.396	3.628	50	20	DHGD	
CCCN(N=Cc1c(C)nn(CC)c1C)C(=O)OC(C)(C)C	495808354	FFRREQAFWZBKPI-UHFFFAOYSA-N	308.426	3.501	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@@H](Cc2ccccc2)C1	588387949	PWRAMBMIGTXIAT-LKQKOTCASA-N	322.383	3.634	50	20	DHGD	
C[C@@H](C=NNC(=O)NCc1ccc(Cl)cc1)c1ccccc1	732927413	LPKALOLZXOIXAM-ZDUSSCGKSA-N	315.804	3.929	50	20	DHGD	
Cc1nc(C)c(C=NNC(=O)Cc2ccc3ccccc3c2)s1	736430281	UVTNHUOFLJADPN-UHFFFAOYSA-N	323.421	3.606	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1	748366434	QWNPMLUDIHCFEI-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1c(NNC(=O)c2sccc2C(C)C)cccc1[N+](=O)[O-]	748670869	PYIMQLJJIFMUSE-UHFFFAOYSA-N	319.386	3.845	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)c2nc(C)c(C)s2)o1	751513897	OCSYKPHPMAUZCL-XFFZJAGNSA-N	302.355	3.594	50	20	DHGD	
CC1(C)CCC[C@H](C=NNC(=O)COc2ccccc2F)C1	752717290	BKNRTULODNWVLG-ZDUSSCGKSA-N	306.381	3.523	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccoc2)c1OC(C)C	752891282	SVNDQSCJHBEXKT-OQLLNIDSSA-N	311.337	3.865	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C\C2CCCCC2)cc1Cl	753297763	LSPRWPSALZVALM-TWGQIWQCSA-N	303.793	3.791	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2cccnc2Cl)cc1	754480274	NSOZSRBYXUYESG-UHFFFAOYSA-N	317.820	3.763	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2c(F)cccc2C1	757148623	CULHJILEYMWXDU-CNHKJKLMSA-N	323.327	3.657	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NNc1cccc(Cl)c1	767027746	ZWUOVNMDMIUQHO-SNVBAGLBSA-N	319.630	3.593	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)[C@H](Br)C(C)(C)C)CC2	767984092	VIQOOCJUPQPJOU-KGLIPLIRSA-N	324.262	3.908	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1ccc(F)cc1C	768310483	CUUHPORTKXPWKJ-CJNGLKHVSA-N	308.397	3.563	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](c1cccs1)C1CC1	771296404	OKUCLAIVMDNEHY-OAHLLOKOSA-N	319.405	3.973	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(Cl)cc2Cl)o1	772427873	UQMUNKDBDWPLBN-UHFFFAOYSA-N	313.140	3.546	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)C1CCSCC1	777439066	OREBFBNUDWWHKN-UHFFFAOYSA-N	314.813	3.728	50	20	DHGD	
CCc1nnc(NC(=O)NNc2ccc(C(C)(C)C)cc2)s1	780456931	YAHWKBMFPANGNM-UHFFFAOYSA-N	319.434	3.547	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCC(=O)CCC1CCCC1	785364854	JWOGSRXNBODOJB-SFQUDFHCSA-N	311.381	3.676	50	20	DHGD	
COc1ccccc1CCCOC(=O)/C(C#N)=C\c1ccccc1	785379407	UUWHOUDMWWZBGT-JXAWBTAJSA-N	321.376	3.778	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1ccccc1[N+](=O)[O-]	790102599	FOHZIYAUUDPODT-UHFFFAOYSA-N	313.357	3.550	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cccnc1-c1ccccc1	792344758	KOSDXXWWZLQFSK-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1C1CCOCC1	808745338	QYPHSVVGVBJATQ-MRXNPFEDSA-N	313.558	3.899	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1nccc2ccccc12	811635432	XJRMCRJTJAMXAX-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2C(F)F)s1	812242371	VKVMVCXULGZYAW-UITAMQMPSA-N	307.325	3.518	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)Nc2cccc(C3CCC3)c2)n1	812993715	XFPPXTNTQKMDHD-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)[C@@H]1CCCO1	814996746	WUWJVECQYFVJMW-LBPRGKRZSA-N	316.188	3.670	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(C)nc1C	815007045	LLSQBRKWEDUKRP-UHFFFAOYSA-N	318.327	3.522	50	20	DHGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2c(C)cccc2C(C)C)C1	816782480	YOIPBIVGRDWYMY-LSDHHAIUSA-N	304.434	3.767	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)C1(c2cccc(Cl)c2)CC1	817007982	YFNZQKVXIUPSEW-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(Br)cc1	819409604	LPJGZCAZAKCOBA-GWCFXTLKSA-N	311.223	3.719	50	20	DHGD	
CCOc1cc(OC(=O)O[C@@H](C)CC(C)C)ccc1[N+](=O)[O-]	831255209	IJJIIMVHYWBGLX-NSHDSACASA-N	311.334	3.944	50	20	DHGD	
C[C@@H]1COCC[C@H]1OC(=O)CCCC[C@@H]1CCSS1	835784909	OFGZIFWDPWYTGI-JHJVBQTASA-N	304.477	3.669	50	20	DHGD	
CS[C@H]1CC[C@@H](NC(=O)NNc2ccc(C)cc2Cl)C1	838492518	BHZUZRPGYJFMBH-MNOVXSKESA-N	313.854	3.559	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncnc(Cl)c2C(C)C)cc1	840929539	ARIMDFXNIZNIDG-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c(F)c1	844274636	FKGNUGKXMIVYLA-GXDHUFHOSA-N	316.376	3.532	50	20	DHGD	
COc1cccc(C(=O)NNc2ccccc2C)c1OC(C)C	856819359	SYDLPZNDQVYTIN-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
CCCCc1nc(C=NNC(=O)c2cc(C)cs2)c(Cl)[nH]1	863155332	GMAUFFMQWDGRTQ-UHFFFAOYSA-N	324.837	3.540	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)c2ccc(CC)cc2)c1	916329629	QXINUNDEWBIMMV-UHFFFAOYSA-N	308.381	3.578	50	20	DHGD	
Cc1cc(NNC(=O)NC[C@@H](C)c2nccs2)ccc1Cl	921951591	KOLPUMLZVVMPOZ-SNVBAGLBSA-N	324.837	3.535	50	20	DHGD	
Cc1ccc(NNC(=O)c2c(F)ccc(C)c2F)cc1Cl	1319658409	VNZKBQVTDFAQOD-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
CCCC[C@H](C(=O)O)N(C)CCO[Si](C)(C)C(C)(C)C	1605235290	YTSUVCVFYFCYHT-CYBMUJFWSA-N	303.519	3.583	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=Cc3sccc3C)n[nH]2)cc1	2073354	SDEQSHCAHGXPJX-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)Nc2ccc(Cl)cc2)cc1	115639104	CHCJETCOFSYHHH-UHFFFAOYSA-N	318.764	3.507	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2c(F)cccc2F)cc1	118516265	LYWLOQVASVWPGR-UHFFFAOYSA-N	308.353	3.509	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NNc2ccccc2Cl)c1	120737598	QVDISFFPSOPYSG-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
C[C@@H](OC1CCCCCC1)C(=O)NNc1ccc(F)cc1F	131242841	GBPGJJLETWVEIK-LLVKDONJSA-N	312.360	3.536	50	20	DHGD	
COc1ccccc1COc1cccc(NC=C(C#N)C#N)c1C	132959218	LVMFEAOWWBLILN-UHFFFAOYSA-N	319.364	3.926	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1ccncc1Cl	154582647	BAHVZEISIGKZOX-LLVKDONJSA-N	321.833	3.500	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccccc1OCC1CC1	158287651	SFKSQVLWNDOJRK-UHFFFAOYSA-N	316.788	3.886	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)c1C	160692267	LUKPKTKQJHQDCD-WJDWOHSUSA-N	322.412	3.764	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCCO1	160709997	QDDLUTVWYUTXPA-OAHLLOKOSA-N	318.442	3.892	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c(C)n1	162252186	FQMYQNUIPAIOPY-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@H](c2cccc(F)c2)C1	175424710	WRQLILOFPQDDIU-XSORJCKLSA-N	308.356	3.764	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccnc(Cl)c2)cc1	181116489	LUSKFUQAZMYXOR-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@H](C)c1ccccc1F	184310398	KDANKLKKZHZTCH-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	194629223	PICXOIOGZDUBBN-ZCQLHAAUSA-N	320.392	3.793	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccccc1)c1cccc(Cl)c1	734273697	WFLPRTWSCWCGCG-UHFFFAOYSA-N	317.820	3.944	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2n1)c1cccc(Cl)c1	741455149	IECMMHWUGLAKFS-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
COC(=O)NN=Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1	743420517	HSHPMEXQPPEXDW-UHFFFAOYSA-N	300.358	3.934	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1C	747643788	OVYVYZBMRLFKBH-UHFFFAOYSA-N	304.752	3.860	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)C(F)(F)c1ccc(F)cc1	749276115	FMONQAPRIMJHLB-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NNc1cccc2cnccc12	753657116	XBWOVWLZRLQSOX-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc([C@@H]3CCOC3)c2)c(C)c1	762003729	QOHATPNLJMSXKB-GOSISDBHSA-N	324.424	3.873	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ccc(-c2ccccc2)nn1	762260444	LRDXWZYTYMSJAB-ZDUSSCGKSA-N	312.417	3.659	50	20	DHGD	
CCN(Cc1cccs1)C(=O)[C@H](Br)C(C)(C)C	781073331	GMROCPLPQPUTQA-NSHDSACASA-N	318.280	3.906	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(Br)cc1F	785611715	AEFNIXCTTZCIOD-ZDUSSCGKSA-N	315.186	3.634	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1ccccc1SC(C)(C)C	788439293	QWQMPIZPNJDNJM-UHFFFAOYSA-N	300.374	3.683	50	20	DHGD	
CCC(C)(C)c1ccc(NC(=O)NNC(=O)C(C)(C)C)cc1	790601714	XJGJVMGYNMYKCT-UHFFFAOYSA-N	305.422	3.573	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CC[C@H](c2cccc(F)c2)C1	793474172	JSVGONQTAXWKGJ-WMLDXEAASA-N	313.376	3.788	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(-c2ccccc2Cl)on1	808129830	XQRGCVGENDAMSH-UHFFFAOYSA-N	319.575	3.529	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cc(C2CC2)nc2ccccc12	808131466	VZQFRDUQEZXIJY-UHFFFAOYSA-N	309.196	3.646	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1C#N	809146044	LBVJABACCDOGLE-ZDLGFXPLSA-N	316.360	3.974	50	20	DHGD	
C[C@@H](CNCc1ccc(OCCCCl)cc1)c1ccncc1	811482597	MSZKQCKJTQNOJQ-HNNXBMFYSA-N	318.848	3.983	50	20	DHGD	
N#C/C(=C/c1nccc2ccccc12)c1ccc([N+](=O)[O-])cn1	812242176	NRLZCMFJHXZLBX-LCYFTJDESA-N	302.293	3.602	50	20	DHGD	
CO[C@](C)(CNC(=O)CCCC[C@H]1CCSS1)C1CC1	812553884	IYRMWSABJITLFX-DZGCQCFKSA-N	317.520	3.632	50	20	DHGD	
COC1CCC(C(=O)NNc2c(C)cccc2C(C)C)CC1	812768815	HSYDLBVFCOQLTD-UHFFFAOYSA-N	304.434	3.767	50	20	DHGD	
CCSc1cccc(NC(=O)NNc2cccc(Cl)n2)c1	814637072	TZKTUVOVPYUSQZ-UHFFFAOYSA-N	322.821	3.996	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CC(C)(C)C2)cc1	814705389	ZYVZEFZVPMWTEC-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
CCc1noc(C)c1C(C)=NNC(=O)Nc1ccc(Cl)cc1	815005144	ROENFQPATNDAGF-UHFFFAOYSA-N	320.780	3.745	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc(N3CCCC3)c2)c1	830791131	BNMMNDGYBUVVHO-UHFFFAOYSA-N	309.413	3.661	50	20	DHGD	
CC[C@H](C(=O)NN=C[C@H](Cc1ccccc1)OC)c1ccccc1	834957580	LWOVDUPZWXQRLX-OALUTQOASA-N	324.424	3.540	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@H]1C[C@H]2CC[C@H]1O2	835845035	JOSXLGUUZXXQFZ-AAVRWANBSA-N	316.488	3.811	50	20	DHGD	
CCn1nc(C)c(NC(=O)NNc2ccc(C(C)C)cc2)c1C	836489556	SQAVBXMJQUVEDF-UHFFFAOYSA-N	315.421	3.792	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1)CC(C)(C)C	842244205	ITHMWXGHUOSGKY-SNVBAGLBSA-N	311.357	3.639	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2cnns2)C1	844338292	ZWHAHNJTQURQEE-GFCCVEGCSA-N	313.543	3.524	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@H]1CCCC(F)(F)C1	853874143	ALNCQHKQHKFEFR-JTQLQIEISA-N	321.730	3.683	50	20	DHGD	
C/C=C(\CC)C(=O)NNc1ccc(Cl)cc1Br	856231901	BFOSGLKRQXDBSY-FPYGCLRLSA-N	317.614	3.902	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2cccnc2)oc2ccccc12	916252869	QZPHLNFHXTVGJS-UHFFFAOYSA-N	307.353	3.544	50	20	DHGD	
Cn1cccc1C=NNC(=O)c1cc2c(s1)CCCCCC2	916350255	GCKYUWNVYPRONW-UHFFFAOYSA-N	315.442	3.510	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1	1115842740	IZCDANWRCNHKLR-SDNWHVSQSA-N	316.364	3.675	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(-c2cnn(-c3ccccc3)c2C)cs1	1117392890	ZQPGANJIFBOYJB-SDNWHVSQSA-N	321.409	3.518	50	20	DHGD	
CO[C@@H](C)c1nc(CNC(=O)c2cccc(CCl)c2)cs1	1262614023	XAJSKLGZHUXAEK-JTQLQIEISA-N	324.833	3.519	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	153153690	BKVCNZCNFDTQQE-UHFFFAOYSA-N	322.368	3.782	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@@]23CCCc2ccccc23)cc1	158853403	KRWPEQNJYNUGKW-UYAOXDASSA-N	306.409	3.732	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	175478361	KMUQHCCTFMGLKT-GFCCVEGCSA-N	308.303	3.741	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(OCC(C)C)c(Cl)c1	178954773	YCGUSCXWUMPNFN-ZRDIBKRKSA-N	322.792	3.757	50	20	DHGD	
CC1(C(=O)NNc2nc(C(F)(F)F)cs2)CCCCCC1	183229279	PRKAMYKUZMXYDR-UHFFFAOYSA-N	321.368	3.966	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1coc(C2CCC2)n1	192851653	BTMRMGWPFVSIPN-UHFFFAOYSA-N	322.368	3.556	50	20	DHGD	
N#CC1=CCN(C(=O)C2(c3ccc(Cl)cc3)CCCC2)CC1	271117328	NJLOGYHGXPDABH-UHFFFAOYSA-N	314.816	3.834	50	20	DHGD	
CSSCCNC(=O)N(C1CC1)[C@@H](C)c1ccco1	287755732	IUTHMRODRHTWCA-JTQLQIEISA-N	300.449	3.526	50	20	DHGD	
CC1(C)[C@H](NCc2ccc(OCCCCl)cc2)[C@@H]2CCO[C@H]21	368227051	NGSSACBHFLPQQQ-GVDBMIGSSA-N	323.864	3.597	50	20	DHGD	
Cc1cccn2c(/C=C(/C#N)C(=O)c3cccc(F)c3)cnc12	588598130	ACAJVOJWZQUNEG-ZROIWOOFSA-N	305.312	3.572	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1ccc(Cl)cc1	729938204	QEIGSXCMHBECAO-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)ccc2C)cc1	734304195	FXWOUNZUBYBXQT-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@H]1CC=CCC1	737063822	KLMXCEXFSFYJLD-JTQLQIEISA-N	300.189	3.728	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)c2cccc(C#N)c2)C2CC2)cc1	741841853	GKPPFWRHDKLZNI-UHFFFAOYSA-N	317.392	3.605	50	20	DHGD	
Cc1nn(-c2ccccc2)c(C)c1C=NNC(=O)CC1CCCC1	749449904	PISBAEWGOQSLFR-UHFFFAOYSA-N	324.428	3.520	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)CCc2ccccc2)c1	749744043	CENMEJHTHGUYIR-UHFFFAOYSA-N	310.397	3.557	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1	761394827	WQZMWCHZSIGRQU-JXMROGBWSA-N	304.346	3.686	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)NC1CCCCC1	767716359	AYVWILLJCIVSCG-WQLSENKSSA-N	306.768	3.835	50	20	DHGD	
Cc1nc2ccc(NC(=O)NNc3ccccc3F)cc2s1	769927501	XOVFZYRIJQDYHC-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CCc2cc(F)ccc21	771305390	QRJVGVKZLCVDQH-HNNXBMFYSA-N	317.339	3.587	50	20	DHGD	
N#Cc1cccc(NNC(=O)C2(Cc3cccc(F)c3)CCC2)c1	775882203	PCQLNRVSGYFKDR-UHFFFAOYSA-N	323.371	3.553	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)C1(CC(C)C)CCCC1	780738448	WIKNOFGCKPJIBD-UHFFFAOYSA-N	318.417	3.523	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@H](C)C[C@H]1C	783861775	HUVWWGVLKOCCLG-QWHCGFSZSA-N	320.458	3.716	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2[nH]1)c1ccc(Cl)cc1F	788434902	XOZGMKHPDXEUDY-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1ncc[nH]1	790168312	RQBLQXYIPVWUSX-UHFFFAOYSA-N	319.368	3.622	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-c2ccccc2F)o1	791220426	HSVYWRNVXGQLBA-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cnn(-c2ccccc2)c1	797402583	HMFWIAKQYRSRAY-LSDHHAIUSA-N	324.428	3.804	50	20	DHGD	
COc1cc(NNC(=O)[C@@H]2CCCC(F)(F)C2)ccc1Cl	800558447	CLTOGCFYUWGGJF-SECBINFHSA-N	318.751	3.617	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCCF)c1c[nH]c2ccccc12	800805567	SOOZVVCCNVLCEE-LBPRGKRZSA-N	301.365	3.804	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](N2CCCCC2)C1	808725618	YXWOCDPSAGGIHU-INIZCTEOSA-N	312.574	3.568	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCC2CC2)c(C(F)(F)F)c1	812561715	CTFXICZKJBTTIG-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
O=C(NN=C1CCc2c(O)cccc21)Nc1ccc(Cl)cc1	815003426	UITNCTKUWJICKP-UHFFFAOYSA-N	315.760	3.518	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)OC[C@H](C)CBr	815349416	GMRMMRKKYIDMJR-SNVBAGLBSA-N	314.223	3.701	50	20	DHGD	
CO[C@H]1CCC[C@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	815850203	BQAODFRAWQXCST-ONGXEEELSA-N	317.216	3.642	50	20	DHGD	
CCC[C@H](C(=O)NNc1ncnc(Cl)c1C(C)C)C(C)C	816486354	ZGGJGKZMQRZALI-NSHDSACASA-N	312.845	3.769	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C(F)(F)F)cc2)cc1	817908843	QYXOQSKRIMNIHM-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
C[C@H](CC(=O)NCC(Cl)Cl)Cc1ccc(Cl)cc1	819794117	KGMGAJPQPJCDMI-VIFPVBQESA-N	308.636	3.829	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1ncccc1Cl	819878648	IDJBDMDJTGWIAL-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2c(C)cccc2Cl)CCO1	836933646	MNZFYEYNTXJTKE-OLZOCXBDSA-N	310.825	3.687	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)C(C)C)s2)cc1C	848403657	ZWDIPQSSAQWQEH-UHFFFAOYSA-N	301.415	3.533	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCC(=C2CCC2)CC1	853264678	MLMOXBYCGBJECR-UHFFFAOYSA-N	322.412	3.783	50	20	DHGD	
CCC[C@H](C(=O)NNc1cc(F)cc(Cl)c1)c1ccccn1	855619837	DXZIYRZEGPFHII-AWEZNQCLSA-N	321.783	3.901	50	20	DHGD	
C[C@H](CN(C)C[C@@H](CBr)C1CC1)c1nccs1	859246210	OWFLUMBAQYZEJB-ZYHUDNBSSA-N	317.296	3.600	50	20	DHGD	
CCC[C@H](C(=O)N1CC=C(C#N)CC1)c1cccc(Cl)c1	860502422	ICDOMEVMCSYVBS-INIZCTEOSA-N	302.805	3.906	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(C)cc2)c1C	914527927	QWRHEBPUKUFCCJ-LDADJPATSA-N	321.424	3.788	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccc(O)cc3)n2)cc1	915862289	JWPRQXPMEFSREI-GDNBJRDFSA-N	303.321	3.815	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)COc1cccc(C(F)(F)F)c1	916294438	PCRPBEFFHWZHHC-SNVBAGLBSA-N	316.323	3.622	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccccc1F	916315418	RMCQLBVMPFCMRJ-UHFFFAOYSA-N	302.374	3.530	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C[C@H]1CC=CCC1	916345714	BRFQKVVXILQTHX-ZDUSSCGKSA-N	306.406	3.766	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cccc(OC2CCCC2)c1	917516157	LKKJAYCZOFVPKK-VBKFSLOCSA-N	312.413	3.831	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(C3CC3)nc2C)ccc1Cl	928340096	RGBVRQBTOLMAHG-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
O=C(NCCCC(F)F)NNc1ccc(Cl)cc1Cl	1119687571	CDASJBGWXQPPJM-UHFFFAOYSA-N	312.147	3.665	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)ccc1C	1320993983	KSYZTOCPYFZPMC-NTEUORMPSA-N	316.364	3.593	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1ccccc1C(=O)O)C(C)C	1605253880	KHGAVEJZISCGHZ-ZDUSSCGKSA-N	306.406	3.680	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609945755	AHOCZWPYFASMDJ-PWSUYJOCSA-N	324.808	3.698	50	20	DHGD	
CCCCCCC(=O)NNC(=S)Nc1cccc(C)c1C	6516298	AZUDTDWJZHAMNU-UHFFFAOYSA-N	307.463	3.591	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OC/C=C/c2ccccc2)cc1	7896463	TVOXHFJHSYVLHI-CHWMWHQTSA-N	319.360	3.859	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H]1c1ccncc1	36134339	KQUKGYKVXOZEOO-INIZCTEOSA-N	300.789	3.798	50	20	DHGD	
O=c1[nH]c(CCCCl)nc2scc(-c3ccccc3)c12	36275539	DWNXEVWPHYPVER-UHFFFAOYSA-N	304.802	3.823	50	20	DHGD	
NNC(=O)c1oc2ccccc2c1CSC1CCCCC1	70153606	YDTSUOJUZKYALE-UHFFFAOYSA-N	304.415	3.602	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cn1	111998877	QCKSNJFQHHWDBJ-BASWHVEKSA-N	320.179	4.000	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(F)c(F)cc1Cl	153015099	HFPPXEBBCHCZLT-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(-c2cccc(/C=C(/C#N)C(N)=C(C#N)C#N)c2)cc1	158201245	PMEMOHLTXUUMHP-ZDLGFXPLSA-N	310.360	3.829	50	20	DHGD	
CSc1ccccc1C(=O)NNc1cc(F)c(F)cc1F	172089334	RZIJZFQTFSHWAP-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
N#C/C(=C/c1cc(C#N)cs1)C(=O)Nc1ccccc1Cl	176838501	UVFXERYVYTZGCU-WDZFZDKYSA-N	313.769	3.819	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1cccc2cnccc12	178519942	SJCGLUSJFYYXKJ-LBPRGKRZSA-N	303.431	3.600	50	20	DHGD	
CCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)CCC)cc1	191761615	XGXZJXVKGHATAU-GHRIWEEISA-N	321.442	3.945	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC(C)CC2)c1C	212303098	JHCYFAXAXMXDEJ-LDADJPATSA-N	313.445	3.680	50	20	DHGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)CCc1ccccc1	254311742	LPHUAEHECXGDPQ-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2ccc(C(C)(C)C)cc2)o1	293548619	SUMCXWHNECFGSV-UHFFFAOYSA-N	301.390	3.600	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCCC12CCCCC2	375746181	SPQRSIHBCOOGJF-DTQAZKPQSA-N	310.397	3.624	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)ccc21	588597769	YJWSLJBXUOVTQX-CHHVJCJISA-N	324.330	3.747	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	730464047	DRGKVRNBPPRZNP-NTCAYCPXSA-N	319.364	3.652	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)NCCc2ccccc2)c1C	731155456	HDVOWASHAQZRBD-CPNJWEJPSA-N	304.393	3.569	50	20	DHGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2nccc3sccc23)C1(C)C	734248294	OXTAIGWZXUUDQG-JSGCOSHPSA-N	315.442	3.978	50	20	DHGD	
C[C@@H](CN1CCCCCC1)C(=O)NN=C1CCC(C)(C)CC1	735972673	NOZWVDKAQDQEOE-HNNXBMFYSA-N	307.482	3.571	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cnc4c(C)cccn34)[nH]c12	741468076	SOZISRIWWZVJNQ-ZROIWOOFSA-N	313.364	3.892	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](c1ccc(CC)cc1)C(C)C	746511016	WMBJVBHHXWQRMO-NWNNTGRJSA-N	300.402	3.506	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2C[C@H](C)C[C@@H](C)C2)cc1	747754407	YBFQEWNEBADQDN-ZIAGYGMSSA-N	302.418	3.556	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ccc(C#N)cc2)cc1	748100897	IAPQKYWWXUBVRA-UHFFFAOYSA-N	307.397	3.542	50	20	DHGD	
CC(C)C[C@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	748113269	RKERGITUSLXYSF-SFHVURJKSA-N	307.397	3.831	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNC(=O)c1ccc(C(C)(C)C)cc1	748697779	VFJQQEMMTIXFEF-CYBMUJFWSA-N	304.434	3.571	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2cc3ccccc3s2)cc1	758364660	HPRFHONLVUQEFI-UHFFFAOYSA-N	324.405	3.739	50	20	DHGD	
Cc1oc2ccccc2c1CC(=O)NNc1ccc(F)cc1F	768312418	ZVXPSZSAYOHZJK-UHFFFAOYSA-N	316.307	3.705	50	20	DHGD	
CCC[C@@H](C=NNC(=O)COCc1ccccc1)c1ccccc1	769585143	KVUZYLPDWPMIBU-IBGZPJMESA-N	324.424	3.889	50	20	DHGD	
CCCC(=CC(=O)NNC(=O)Nc1ccccc1C)CCC	770853960	YNMBKYHDPVQSOW-UHFFFAOYSA-N	303.406	3.674	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cscc2Cl)c1	771871551	OMLLQRFVUOKIEN-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(Cl)c2)cc2n[nH]cc12	775696620	YCASDWFQCANROD-UHFFFAOYSA-N	315.764	3.673	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(CC#N)cc2)cc1	776115027	SWTXNRHKRAXIAI-XDHOZWIPSA-N	316.360	3.711	50	20	DHGD	
C[C@@]1(c2ccccc2)CCC(=NNC(=O)c2ccc(C#N)cc2)C1	780213976	KTFXYNFJABDOET-HXUWFJFHSA-N	317.392	3.786	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNc1ccc(OC)cn1	781535734	CSYNQEBNJOZIGS-AWEZNQCLSA-N	305.422	3.530	50	20	DHGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)c1ccc(C#N)cc1	784733843	SQPYWBMFVLWWAQ-GWCFXTLKSA-N	324.218	3.972	50	20	DHGD	
CN(NC(=O)c1ccc(C(F)(F)F)c(F)c1)c1ccccc1	784762071	CAZMBVPZPIBBJA-UHFFFAOYSA-N	312.266	3.626	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)NC1CCCC1	785453835	MYEUUWNNVIXLDA-UHFFFAOYSA-N	313.323	3.590	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	793710781	QMISDQGWIINRBI-SMDDNHRTSA-N	312.360	3.948	50	20	DHGD	
CC(C)Cc1cccc([C@H](C)C(=O)NNC(=O)OC(C)(C)C)c1	794745187	UJDMMWGQOVNHIR-ZDUSSCGKSA-N	320.433	3.545	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794873740	BDJROHDUBBPBKZ-RAXLEYEMSA-N	311.360	3.924	50	20	DHGD	
N#C/C(=C\c1cnc(C2CCCC2)s1)C(=O)[C@@H]1CCCOC1	794884642	QXBHDGHCQOLIKL-SJWLEHQBSA-N	316.426	3.703	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccccc2)C[C@H](C(F)(F)F)O1	795066497	ULPDJUVPOGUBDC-MAUPQMMJSA-N	310.319	3.593	50	20	DHGD	
CN(CCc1cccc([N+](=O)[O-])c1)/C(=C/C#N)c1ccccc1	801601061	AIPRPBGIQQSKGZ-VCHYOVAHSA-N	307.353	3.634	50	20	DHGD	
CC1(C(=O)NNc2nccnc2C2CCC2)CCCCCC1	805472251	BQJNDDLNCUHGFL-UHFFFAOYSA-N	302.422	3.548	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccc(F)cc1)C(C)C	807226555	PMUIWSICWDAOMI-UHFFFAOYSA-N	316.467	3.757	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cn1	812241271	BKOIASNONTXQFG-WIMOKQHYSA-N	322.280	3.518	50	20	DHGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)C1CCCC1	814801740	RATGTCZQXGUYIY-UHFFFAOYSA-N	300.402	3.712	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1cccc(Cl)n1	817010988	ASFMDNSBLNFAGM-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
C[C@H]1CC2(CCOCC2)CN1/C(=C\C#N)c1ccc(F)cc1	830603299	NRUHZMTZTMNRFO-YHIRLIAMSA-N	300.377	3.581	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)Sc2ccccn2)cc1	837054819	WYCQTSXXDUGXNK-ZDUSSCGKSA-N	315.442	3.829	50	20	DHGD	
CCn1cc(/C=C(/C#N)n2c(C(C)C)nc3ccccc32)cn1	840722949	RJSGYWDZDLVOGV-DHDCSXOGSA-N	305.385	3.898	50	20	DHGD	
CCCN(N=C(C)c1cc(C)c(O)c(O)c1)C(=O)OC(C)(C)C	841637375	RVDRGWDUSVPMKI-UHFFFAOYSA-N	322.405	3.777	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C[C@H]2CCCOC2)C1	844337600	TUSKZIXHOSUPNF-CVEARBPZSA-N	313.558	3.899	50	20	DHGD	
COCCCCC(=O)NNc1ccccc1Cc1ccccc1	846463624	GEJLGHUNTFMRLG-UHFFFAOYSA-N	312.413	3.537	50	20	DHGD	
Nc1cccc(CNC(=O)CCCC[C@H]2CCSS2)c1	852843117	QQOWKFBASUZLKR-AWEZNQCLSA-N	310.488	3.599	50	20	DHGD	
O=C(NN=C1CC[C@H]2CCCC[C@@H]2C1)c1cccc(Cl)n1	853411289	FDHLXBLUICNVMS-VXGBXAGGSA-N	305.809	3.811	50	20	DHGD	
CC(C)[C@H](CC(F)(F)F)NC[C@@H](CBr)C1CC1	859269633	FALGHGYHPUWKTI-MNOVXSKESA-N	316.205	3.974	50	20	DHGD	
COCc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cc1F	866871805	BWVDXGVZZDKMOF-UHFFFAOYSA-N	316.376	3.654	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2cc(Cl)ccc2F)C1	871271523	QVMFQYMVSAVMLX-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C[C@@H](C)c2ccccc2)c1C	916336633	KWRXNMGJASOWMQ-WBVHZDCISA-N	324.424	3.976	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C(C)(C)C2CCCCC2)nn1	1323239970	YLBMDQJTSOLLBO-UHFFFAOYSA-N	318.465	3.824	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1ncnc2ccsc12	1324009197	LXOCMPIKMIGWKB-NSHDSACASA-N	318.446	3.741	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H]2CCCCC2(C)C)cccc1C(=O)O	1600052713	QKDFZKICVKTGBN-ZDUSSCGKSA-N	318.417	3.743	50	20	DHGD	
CCN(Cc1ccccc1)c1ccc(/C=C(\C#N)C(=O)O)cc1	7155424	MRECIVWSXZQSHO-SFQUDFHCSA-N	306.365	3.705	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)cc1F	7167221	UTJPLJZFGRNTKC-YRNVUSSQSA-N	302.255	3.650	50	20	DHGD	
Cc1c([C@H](C)NC(=O)NNc2ccccn2)oc2ccccc12	79640936	XPRSZAUTWRVWOL-LBPRGKRZSA-N	310.357	3.524	50	20	DHGD	
CSc1ccsc1C(=O)NNc1c(F)cccc1F	118515253	SZGOKTPLHQZGAL-UHFFFAOYSA-N	300.355	3.505	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1c(F)cccc1F	118516344	UUALSFWPRUGAGC-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
CN(CCSSc1ccccn1)C(=O)OC(C)(C)C	145587930	FUNKNZAFGJKWCL-UHFFFAOYSA-N	300.449	3.689	50	20	DHGD	
CC(C)c1ccc(OCCC(=O)NNc2ccc(C#N)cc2)cc1	155368554	KOWUBKXXLKRVDW-UHFFFAOYSA-N	323.396	3.594	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@H](C)c2c(C)noc2C)c1	161126092	MYZDRMNGOOSPKP-LBPRGKRZSA-N	301.390	3.545	50	20	DHGD	
CCC(CC)CC(=O)NNC(=O)c1ccc(Cl)cc1Cl	164390728	XXXYYNLXECDINJ-UHFFFAOYSA-N	317.216	3.581	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ccc(C#N)cc1	179073936	WMJVQDQOWMTPMN-ZRDIBKRKSA-N	311.772	3.758	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c(C)c1	207876429	CBONWCGFCFBRPP-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
Cc1ccc([C@H](C)N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	491008461	IFJWDUZWJBJPND-BRFSQIRFSA-N	320.392	3.827	50	20	DHGD	
CN(N=Cc1ccc2c(c1)CC(C)(C)O2)C(=O)OC(C)(C)C	729142291	PNZOGBGCMBWKES-UHFFFAOYSA-N	304.390	3.601	50	20	DHGD	
C[C@H]1CCC[C@H]1NC(=O)NNc1ccccc1C(F)(F)F	729624688	WTNGNRPGZSGKRO-GXSJLCMTSA-N	301.312	3.520	50	20	DHGD	
CC(=NNC(=O)Cc1nc(-c2ccccc2)cs1)C(C)C	730568624	SIDTWLIVFZCCBA-UHFFFAOYSA-N	301.415	3.501	50	20	DHGD	
CCC(=NNC(=O)C1CCC1)c1cc(Cl)cc(Cl)c1O	731936413	WMGHWZXUHXRIIU-UHFFFAOYSA-N	315.200	3.729	50	20	DHGD	
Cc1ccsc1C=NNC(=O)NCc1ccc(Cl)cc1	732927197	GVEYQARPPPPXGU-UHFFFAOYSA-N	307.806	3.543	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ncccc2Cl)o1	734247563	QGUAGUAGKPSEHT-ZYHUDNBSSA-N	319.792	3.527	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2ccc(Cl)s2)cc1	741765396	YMINUFZFHPRPPH-UHFFFAOYSA-N	322.821	3.623	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(C#N)o2)c1C	742350163	RRJVNRYZFSAPRZ-ZROIWOOFSA-N	305.337	3.546	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	743299317	LMIDBDJWHAVNJH-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
O=C(NN=Cc1coc2ccccc12)c1ccc(Cl)cc1F	746576972	DFMJECCFZODBDA-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3cccc4cnccc34)cc2c1	748759146	KAXIYGWLYKZZRF-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	755697224	HAHIDKRDIWXSBZ-UHFFFAOYSA-N	318.808	3.616	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCO[C@@H](C)CC(C)C)c(C)c1	755829260	WLGIVSLJARUZLM-INIZCTEOSA-N	306.450	3.896	50	20	DHGD	
Cc1ccnc(NNC(=O)CCc2ccc(-c3ccccc3)o2)c1	755856793	RFZPNXVSSISKFW-UHFFFAOYSA-N	321.380	3.726	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1cc(F)cc(OC)c1	759327001	WHUUFDKPSFNMMV-AWEZNQCLSA-N	316.376	3.546	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc(-c3ccccc3)[nH]n2)c(C)s1	760224294	OZWJZDAAAWAMQB-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccc2n[nH]cc2c1	763610688	NHRXNDLYVYDZHZ-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(Oc3ccccc3)cc2)CC1	767157437	MLBKJQZXCFSTAO-UHFFFAOYSA-N	304.349	3.775	50	20	DHGD	
Cc1ccsc1CCNC(=O)[C@@H](Br)C(C)(C)C	768388046	ZPMPHQTXYFEIMC-LLVKDONJSA-N	318.280	3.525	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(F)cc1Cl	770308517	QADVDBNBUHTDKE-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
C[C@H](CBr)COC(=O)CCc1ccccc1Cl	770325124	OJPMMATYZBWEEM-SNVBAGLBSA-N	319.626	3.847	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc2cccc(F)c2o1	770386879	YCZQXMBXGBKYRV-MRVPVSSYSA-N	315.138	3.760	50	20	DHGD	
C[C@H](CC(=O)NNc1cc(Cl)ccn1)c1ccc(F)cc1	778446935	LCVAEZXRKAEJPB-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(Cl)ccn1)c1cccc(Cl)c1	778450221	ZCMXHAHIRZLUPO-JXMROGBWSA-N	322.195	3.935	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	779898783	LRCGUMPEBQAXHO-STQMWFEESA-N	321.490	3.810	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1[N+](=O)[O-])C(=O)C1CCCC1	781555358	HPPNZTORYLLBRZ-KPKJPENVSA-N	304.733	3.914	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cc(Cl)cs1	782158210	IOVSFYBWFPDOGA-UHFFFAOYSA-N	317.801	3.576	50	20	DHGD	
CC(C)OCCCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	784073305	PTBJUCHTZQADEH-UHFFFAOYSA-N	317.341	3.859	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC[C@H](Oc2cccc(F)c2)C1	784493759	DTJAZAVIZHLCFH-JVBNVIDGSA-N	308.356	3.843	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1csc(-c2cccs2)n1	786677524	ZPSCLQDDKDZGRG-IZZDOVSWSA-N	316.407	3.775	50	20	DHGD	
CSSCCNC(=O)CSc1ccc(C)cc1C	791113380	GPIJHMHXCNPKGW-UHFFFAOYSA-N	301.502	3.523	50	20	DHGD	
CC(C)(C)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	794349089	VRDBEBWTHPLBHT-UVQBRAAOSA-N	312.413	3.584	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2ccc(O)c(Cl)c2)C1	794511582	FIIRUOBCPTZCAQ-LLVKDONJSA-N	308.809	3.978	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2ccc3occc3c2)c1	794868107	FJGYYBMPAQZALI-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
C=C(CBr)COC(=O)C[C@H](CC#N)c1ccccc1	795981740	OOGLHKLCVJVQME-AWEZNQCLSA-N	322.202	3.568	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cccc(Cl)c1)c1cccnc1	797812708	ZIBISGKZFXQEQU-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccccc3)cn2)c1	799833205	WYEBKJCIBGGHEL-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CC(C)(C)[C@H]1CC(=NNC(=O)c2cccc(Cl)c2)CS1	814732243	FAAVHNKUPCPFTL-CYBMUJFWSA-N	310.850	3.977	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cccc(Cl)n1	817009720	WXLDAXIPGKTLLC-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)c2c(C)noc2C)c(Cl)c1	836935321	DTXAEDQDNJLFOK-SECBINFHSA-N	307.781	3.500	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)OCC(F)(F)F)c2ccccc21	853430157	XZPRMEWDGKZRCE-VIFPVBQESA-N	300.280	3.577	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)c1oc2ccccc2c1C	853432230	STFPIZGOANWINY-UHFFFAOYSA-N	314.263	3.754	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ncccc2C#N)C1	853897708	PSKJSIKBCSJHHX-AWEZNQCLSA-N	303.482	3.554	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccnc(Cl)c1	855468473	YOSJFGVKAUFNQV-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1c(C)noc1C(C)C	885124333	SJHQGKONHKJUKB-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cnn(CC2CCC2)c1	899344196	NNFXKXWLJRZQOD-VIZOYTHASA-N	311.410	3.843	50	20	DHGD	
CN1/C(=C\C=NNC(=O)C2CCCC2)C(C)(C)c2ccccc21	914836754	WYRQJUGYLCVELT-XTUVWNMISA-N	311.429	3.590	50	20	DHGD	
O=C(NN=C1CC[C@H]2CCCC[C@H]2C1)c1cccc([N+](=O)[O-])c1	916245497	CVTKMCGUKKMEJY-OLZOCXBDSA-N	315.373	3.671	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1cc(Cl)ccc1Cl	916270248	YGXWONOKKPAVIG-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CCC[C@H](NC(=O)NNc1ccc(F)c(F)c1)c1ccccn1	916787822	RIEKITBODACGAF-HNNXBMFYSA-N	320.343	3.527	50	20	DHGD	
CCC(=NNC(=O)c1ccc(F)cc1Br)C(C)C	917553523	YMSSNFJUFLQELO-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CNC(=O)NNc2ccccc2Cl)o1	918077385	CIVTZNKXGUVMGS-JQWIXIFHSA-N	319.792	3.883	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1F	1319572427	OHMGSWMXWIETDU-UVTDQMKNSA-N	316.376	3.532	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)c1cncn1-c1ccccc1	1322629467	PFDHFBQDWAPKQL-INIZCTEOSA-N	324.428	3.804	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cn1	1326241213	DMHZMMIFRNBFGY-WJDWOHSUSA-N	305.381	3.636	50	20	DHGD	
CC[C@H](C)n1nccc1C(=O)NNc1ccc(C(C)(C)C)cc1	1348212280	JSXKYFHDEBSDDI-ZDUSSCGKSA-N	314.433	3.909	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1cccc(C(=O)O)c1	1598497722	CVLQMHWIFUSCRR-UHFFFAOYSA-N	323.509	3.838	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609945757	AHOCZWPYFASMDJ-ZYHUDNBSSA-N	324.808	3.698	50	20	DHGD	
Cc1cc(NC=C(C#N)C#N)n(-c2ccccc2C(F)(F)F)n1	15241406	ZDULZGGGKHBQGU-UHFFFAOYSA-N	317.274	3.542	50	20	DHGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCCl)cc2)cc1	20191082	XPWAKYUKDBNITD-UHFFFAOYSA-N	323.845	3.967	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc2c(s1)CCCCC2	45971988	GGKCHYHQCVGBBG-UHFFFAOYSA-N	304.390	3.913	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)cc1)c1cccc(Cl)c1	76561880	SPGYPOQNKADLDH-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1cccnc1Cl	85660797	FBXYOKMAIHLKAX-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)c1ccccc1F	120048315	CMKQYCIRMFVQSL-CYBMUJFWSA-N	312.388	3.951	50	20	DHGD	
O=C(CC1CCSCC1)NNc1cccc2c1CCCC2	120500605	AAPUCVZPJLUCNT-UHFFFAOYSA-N	304.459	3.542	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc2c(c1)CCN2C	129785644	COFDWPKICGONKJ-GDNBJRDFSA-N	308.406	3.839	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2c(s1)CCC2	130620491	MHMHBIBUOSOIMA-UHFFFAOYSA-N	310.781	3.786	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)C1CCOCC1	136103459	JKSIRNYELXYLHH-JSGCOSHPSA-N	317.520	3.632	50	20	DHGD	
CSC[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	155259433	SQYKFTVUIIBNHC-JTQLQIEISA-N	305.355	3.653	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1ccc(F)cc1F	158135790	JENJGSYZFCBLRR-UHFFFAOYSA-N	310.369	3.801	50	20	DHGD	
CS[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	172504450	PHJBHHBWHLOFKQ-CQSZACIVSA-N	306.818	3.887	50	20	DHGD	
CCOc1ncccc1C(=O)NNc1ccc(C(C)(C)C)cc1	181136012	LEOOYUMOZZCQDO-UHFFFAOYSA-N	313.401	3.535	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N[C@H]1CCCc2sccc21	194867779	ZBDGCMISDFHJSG-ISBHARSQSA-N	324.405	3.554	50	20	DHGD	
COc1cccc(C=NNC(=O)Cc2cccc3ccccc23)c1	254304479	YGUGAKSXNAOFJK-UHFFFAOYSA-N	318.376	3.541	50	20	DHGD	
CC(C)(C)c1nc(C(=O)NNc2cccc(Cl)c2)cs1	264021774	YLFCLTGEBSKCKJ-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
CC(C)[C@H](SCc1ccccc1)C(=O)N1CC=C(C#N)CC1	272660809	HKQWGOPTUXOLEX-KRWDZBQOSA-N	314.454	3.627	50	20	DHGD	
CCc1nc(C)c(NC(=O)/C(C#N)=C/c2ccc(F)cc2)s1	490908089	JEYVBRMWMKKHNM-XYOKQWHBSA-N	315.373	3.699	50	20	DHGD	
CCOC(=O)NNC(=O)Nc1ccc(SC2CCCC2)cc1	494556951	ZPYCSBYKRNAWBE-UHFFFAOYSA-N	323.418	3.504	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccccc1	741766739	HZCSPYGBYVEXHD-UHFFFAOYSA-N	310.401	3.688	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2ccc(Cl)c(F)c2)s1	746700334	RIXIYXFYMBDILC-UHFFFAOYSA-N	313.785	3.563	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2cc(F)c(F)c(F)c2)cc1	746703190	KKJIPIBKWDYDCR-JTQLQIEISA-N	322.330	3.913	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc(Cl)cn1	747605094	QINOPSOZNRAPDP-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)CCC1CCC1	748740859	PKHHEAZMHGPXRJ-UHFFFAOYSA-N	311.223	3.781	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C(C)CC2CCC2)cc1	758365802	ONYWREVCSAVUPG-AWEZNQCLSA-N	318.417	3.535	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768332955	ZUSSJLZLNPLIIG-LBPRGKRZSA-N	323.393	3.653	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1cc2ccccc2s1	768511685	BAXFRZSTCMIKRM-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
CSc1ccccc1C(=O)OC[C@H](C)CBr	770328042	XTYGSYDBVKKMBJ-SECBINFHSA-N	303.221	3.596	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1ccccc1Cl	777418155	GGGJIDXLFTXMRJ-UHFFFAOYSA-N	306.818	3.748	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2CCCCC2)cc2cccnc12	783697030	PBUGIEPPMBUVJZ-ATVHPVEESA-N	319.408	3.899	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(C#N)cc1)c1c[nH]c2ccccc12	787455286	LZMUEFNMTOWDID-CYBMUJFWSA-N	318.380	3.676	50	20	DHGD	
COC1(CC(=O)NN(Cc2ccccc2)c2ccccc2)CCC1	790215470	OTBDGLHFOJGPST-UHFFFAOYSA-N	324.424	3.684	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc2cccc(OC)c2o1	792634030	YUZLFHIEJCTXHF-UVTDQMKNSA-N	319.382	3.521	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1ccc(Cl)cc1Cl	800521695	YJGUQBJBTVJXQD-UHFFFAOYSA-N	307.246	3.826	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3ccc(C#N)cc3)c2c1	802824577	BOGFPKBDRHYBNZ-UHFFFAOYSA-N	305.337	3.624	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	804629482	VDVAYGOFFMUUFX-UHFFFAOYSA-N	311.357	3.784	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(C)c1OC	806554654	WZUKWNGYUGNTLI-LFIBNONCSA-N	307.349	3.802	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCOC[C@@H]1c1ccco1	808729331	YFXWFJBDQWTTIF-CQSZACIVSA-N	311.498	3.675	50	20	DHGD	
CN(CC(C)(C)C#N)C(=O)CCCC[C@@H]1CCSS1	817611447	LADONPLFHQPKDS-GFCCVEGCSA-N	300.493	3.709	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1cc(Cl)ccn1	819474056	OENCKLJSORAUMI-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2ccccc2c1O	825117188	OUVQRBOXYXXNHH-UHFFFAOYSA-N	312.756	3.956	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1ncccc1C(F)(F)F	825981628	WGTBLQAMCOPSOJ-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(C)cc2Cl)c1C	836938890	ZNMDPMHEBSMJGM-UHFFFAOYSA-N	319.792	3.553	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@@H](C)CC(F)(F)F)c(Cl)c1	840439846	JDFVVKYCTBTBBD-VIFPVBQESA-N	323.746	3.863	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(N(C)C(C)C)nc2)o1	840723580	XWJRSJXYCHLIFE-DHDCSXOGSA-N	309.369	3.618	50	20	DHGD	
Cn1cc(CN2CCC(CO[Si](C)(C)C(C)(C)C)CC2)cn1	844346223	JUVFOSFJNQGQIA-UHFFFAOYSA-N	323.557	3.654	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1C[C@H]1CCCOC1	844350751	WPIUOZNJCCQHML-HZPDHXFCSA-N	313.558	3.899	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2noc(C3CC3)n2)C1	852522698	OJPLSQUAXGVXGI-ZDUSSCGKSA-N	323.513	3.543	50	20	DHGD	
CC(C)Cc1ccc(CCC(=O)NCCCSC#N)cc1	854361647	ICSFFDXMBGJPDV-UHFFFAOYSA-N	304.459	3.538	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccc(COC(C)C)cc1	855365763	UCWVIDDIOLEJOU-UHFFFAOYSA-N	316.376	3.816	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C3CC3)cnc2Cl)cc1F	856228558	XNCAQHBUHDPHQR-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
CC[C@@H](c1ccncc1)N(C)C[C@@H](CBr)C1CC1	859216446	JIPAJZLDZNECJF-CABCVRRESA-N	311.267	3.886	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(OC(F)F)cc1)c1ccco1	860325902	OKKYBHSXRONKLI-JTQLQIEISA-N	310.300	3.518	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)c1ccn(C2CCCC2)n1	862510117	TURAWKYKBJCZNK-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3ccccc3C)CCCC2)n1	862519468	GWRHMDKVZKDTOR-UHFFFAOYSA-N	309.413	3.654	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)Cc1nc(C)cs1	863076332	OESMDZXCNVDPSF-UHFFFAOYSA-N	315.442	3.509	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cccc(Cl)c1Br	872343542	FTNQLWKDOLESBP-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
Cc1cc(C(=O)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)no1	891542500	FYIFJOWLIOXJHO-ZDUSSCGKSA-N	324.497	3.609	50	20	DHGD	
FC(F)(F)C1CN(Cc2ccc(OCCCCl)cc2)C1	894892243	ZOHWQEQCVIMTDO-UHFFFAOYSA-N	307.743	3.688	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCCC1(C#N)CCC1	909053174	RZCNXIMONUBOPQ-VBKFSLOCSA-N	324.380	3.707	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc2ncccc2c1	916140219	GNHSEGGVTKVIFD-AFEPGORQSA-N	319.408	3.837	50	20	DHGD	
CC(C)CC(=O)NN=Cc1csc(-c2ccc(Cl)cc2)n1	916342701	MVPHDVZYTPTZJR-UHFFFAOYSA-N	321.833	3.960	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C(C)c1ccc(C)s1	917026980	YHFIGZFHVJBIEA-UHFFFAOYSA-N	316.426	3.538	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)ccc1C#N	1321182239	VWHSSMOBLSXTOE-SXGWCWSVSA-N	302.333	3.665	50	20	DHGD	
CC(C)c1nc(C(=O)OC[C@]2(C)C[C@H]2Br)cs1	1344039224	VUCLHSMUNMHOOJ-SKDRFNHKSA-N	318.236	3.597	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1cccc(C(=O)O)c1	1776094970	XBXRJNUVEFYULT-YLCOBTLKSA-N	314.385	3.793	50	20	DHGD	
FC(F)Oc1ccc(Br)cc1CBr	36894728	NLCDKWIZJYZHEX-UHFFFAOYSA-N	315.939	3.945	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C)c2)cc1	44024516	RDFVJCHSDGKAIC-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2ccccc2C(F)(F)F)cc1	45480588	OYMSLKJNIRSNKR-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1cccc(Cl)c1	115637282	PNCJQCQHCLYOCP-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
C/C(=C\C(=O)NNc1ncc(Cl)cc1Cl)C(C)(C)C	132982903	LBRIGBHZFIGRIT-VMPITWQZSA-N	302.205	3.824	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)cc1	151357275	BVEBIARCFADUTH-KRWDZBQOSA-N	312.413	3.995	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(F)c1)c1ccc(F)cc1F	152768072	MHIPPSMAFCTFRG-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccco2)cc(Cl)c1OC	212657645	KXDHEMPZRSXUPQ-WDZFZDKYSA-N	317.728	3.740	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccnc1Cl	255302227	QMKMVSPPBBGIGZ-ZROIWOOFSA-N	311.772	3.898	50	20	DHGD	
N#C[C@]1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC12CCCC2	295305329	KFAICDAVRKIIOW-HNNXBMFYSA-N	323.318	3.623	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCCc2sccc21	377182883	NGHPDTMPEWEWJH-AWEZNQCLSA-N	323.421	3.860	50	20	DHGD	
COc1c(C)ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	491173181	BJPUROKVMSNRFX-XNTDXEJSSA-N	322.364	3.563	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1ccsc1	728439739	FFLYMRVFHONGPC-XBXARRHUSA-N	312.181	3.578	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cccc3ncccc23)o1	730146318	PVKPPHLDBSNYPJ-WBMJQRKESA-N	319.364	3.715	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2ccc(Cl)cc2OC)s1	731151624	MVIUENAWEHOAQW-UHFFFAOYSA-N	322.817	3.736	50	20	DHGD	
CCOCC(=O)NN=C(C)c1ccc(Cl)c(Cl)c1Cl	731154187	YAKPHVJBAYRTKI-UHFFFAOYSA-N	323.607	3.524	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(C)c(F)c2)cc1	731490109	QXCPFCSIZRVJSP-CXUHLZMHSA-N	315.369	3.781	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1c(F)cccc1F)c1ccccc1	731930864	PMQIHBRNWYLDBW-CQSZACIVSA-N	316.351	3.999	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1coc2ccccc12	740092998	DZZALKMAMWELOF-UHFFFAOYSA-N	321.258	3.604	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)c1ccc(C#N)cc1	756883080	MGATTWZZLDJQBJ-UHFFFAOYSA-N	311.772	3.592	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2)cc1Br	762234963	JRNDWWJAAGFXGB-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C#N)c(C)c2)c1	766291271	WYUNWFAOJXMREF-RQZCQDPDSA-N	302.333	3.665	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1OCC(=O)NNc1cc(C)cc(C)c1	768311302	MEODHTMKYVTKSV-RDJZCZTQSA-N	304.434	3.732	50	20	DHGD	
C[C@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)CC(C)(C)C	768704003	IAOMRMACZXLVBH-SNVBAGLBSA-N	308.813	3.512	50	20	DHGD	
COc1cc(/C(C#N)=C/c2nc(Cl)cs2)ccc1[N+](=O)[O-]	774558405	CBNRJTLVPUNYEE-WEVVVXLNSA-N	321.745	3.777	50	20	DHGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)Nc1ccccc1F	779221190	QKKMVMAVWNAFLO-YBEGLDIGSA-N	317.323	3.920	50	20	DHGD	
CSc1ccccc1CC(C)=NNC(=O)c1cccc(C#N)c1	782903912	PFPYXVNWJWDDTN-UHFFFAOYSA-N	323.421	3.629	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCCC2(CCCCC2)CC1	786888798	DTCZUYGPBAYSRQ-UHFFFAOYSA-N	321.914	3.772	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	790585356	OENNDYPRDPMORP-NSHDSACASA-N	311.357	3.784	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794873384	DKZGARCTMGOTPQ-ACCUITESSA-N	311.360	3.924	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1C[C@H](c2ccccc2)C1	798024161	BBLSSSZRPOIMLT-IHRRRGAJSA-N	324.262	3.858	50	20	DHGD	
C[C@H](CBr)CN1CCCn2c(cc3ccccc32)C1	805841169	IJPPUNNCXHLSEH-CYBMUJFWSA-N	321.262	3.878	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccnc(F)c2)cc1Cl	810986581	GDMZYIUCULABTC-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)c1ccc(C)o1	814223508	JAOCFAAGCLNXGU-MMODIHTESA-N	312.369	3.554	50	20	DHGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)c1ccc(C)o1	814223509	JAOCFAAGCLNXGU-ZDHPMUAHSA-N	312.369	3.554	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2CC[C@H](C)C2)cc1OC	814754230	FPSCNAWTZBQZLF-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@@H](Cc3ccccc3)C2)c(O)c1	814811136	RBQBUSTXIPZQMA-INIZCTEOSA-N	322.408	3.829	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1cccc2ncccc12	814841365	NMCBNOOBXNHWNB-HNNXBMFYSA-N	320.396	3.670	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(C)nc2C(C)C)c1	827526001	JBDOJBLVODZWKA-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
CSSCCNC(=O)c1[nH]c2c(Cl)cccc2c1C	839759558	CDHQTBQLONSOKD-UHFFFAOYSA-N	314.863	3.871	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccnn2CC(C)C)cc1	843265272	VTBVLANPJFYXGQ-WJDWOHSUSA-N	322.412	3.647	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ccccc1C)CCC2	846800202	IMSAPLFLHSDOFB-INIZCTEOSA-N	310.397	3.567	50	20	DHGD	
CC[C@@H](C)Oc1ccccc1/C=C/C(=O)NCCCSC#N	854362379	MGEAUVHPKQEEEU-ATWMFIQVSA-N	318.442	3.598	50	20	DHGD	
CCCCC1CCC(C(=O)/C(C#N)=C/c2cn(CC)nn2)CC1	899361757	YUFGQIZOGNZLLN-LFIBNONCSA-N	314.433	3.771	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c[nH]c2ccc(C(=O)O)cc12	899361939	ZRYDCZCICZRYIZ-DELQEKLWSA-N	310.353	3.778	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(C)C)c1C	912567665	NQUUOOLWDHOCPI-LDADJPATSA-N	315.461	3.974	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CC(C)C)c1C	914527305	INIAPLPQRYATLA-WOJGMQOQSA-N	315.461	3.926	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccc(OC(F)F)cc1	915971259	LUPPCIKKTSCSCM-UHFFFAOYSA-N	319.311	3.752	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1ccc(O)cc1	915976597	OFJNFWRLTZNQFZ-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccc2ccccc2n1	916244291	QSJPFQBBNJDRLX-UGUYLWEFSA-N	319.408	3.777	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)N[C@H]1CCCC(F)(F)C1	921540353	SEEYYFVOIIMZPU-VIFPVBQESA-N	321.730	3.683	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)CCCC1CCOCC1	928337060	IQZLWMLRIJDNPK-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
C=CCC1(C(=O)NNC(=O)c2ccccc2Cl)CCCCC1	1324644847	AHNLXLRLYWXUST-UHFFFAOYSA-N	320.820	3.628	50	20	DHGD	
C[C@H](CC(=O)c1ccccc1)NC(=O)C1CCC(Cl)CC1	1348102283	PNAZHCZNEVXLBN-LRVUVFPRSA-N	307.821	3.562	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CC[C@H](c2ccccc2)C1	1552661185	DGOZZLNIIJWQNO-STQMWFEESA-N	300.229	3.832	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1F	67427875	STCOUSUXOSEASH-XGHPXPSOSA-N	308.356	3.919	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1	68274274	DECSCKFCNQLGCC-HNDQUVLASA-N	317.348	3.523	50	20	DHGD	
Cc1nc2ccccc2c(C)c1CC(=O)NNc1ccccc1	70716432	FXNKLRKISRPXNO-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
CC[C@@H](C)C[C@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	88304237	ZWYRNHJPFTUGCG-OLZOCXBDSA-N	317.882	3.571	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	122574222	QGQLCGJAUTUWCU-LBPRGKRZSA-N	320.339	3.925	50	20	DHGD	
COCCC1(C(=O)NNc2c(Cl)cccc2Cl)CCC1	133517231	LHIWOBIYZGLMHS-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1ccc(F)cc1F	158159683	UUTKGLKBBYLFCH-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NNc1ccc(F)cc1	176002413	WOMBBGNIFJOWKO-CQSZACIVSA-N	322.767	3.780	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cn(C)nc2C(C)(C)C)ccc1[N+](=O)[O-]	180570502	LYUPCWXVPXRSNY-ZROIWOOFSA-N	324.384	3.998	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@H]1CCCO1	245964654	YHJHKXXXQJCJKI-MELADBBJSA-N	317.520	3.774	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C3CC3)cnc2Cl)c1	281165798	KXRJHZHYYSZQGW-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](CC)c2ccc(F)cc2)cc1	294322405	LLPABWVFRPYDJM-QGZVFWFLSA-N	316.376	3.861	50	20	DHGD	
CN(CCc1cccs1)C[C@@H](CBr)C1CC1	701847459	DBFMIMCEAXXTNH-GFCCVEGCSA-N	302.281	3.644	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1sc(C)nc1C	731150863	OVHWJLBYQJAHRP-UHFFFAOYSA-N	315.442	3.578	50	20	DHGD	
CC1CCC(=CC(=O)NNC(=O)c2ccc3ccccc3c2)CC1	734123958	YWMFOQWPYOEDSU-UHFFFAOYSA-N	322.408	3.737	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1c(F)cccc1F	735696058	OPWZLBOTHDCLFU-CQSZACIVSA-N	322.380	3.979	50	20	DHGD	
CSCC[C@H](C)NC(=O)NNc1ccc(Cl)cc1Cl	737064050	UREZYSJMDZKLKB-QMMMGPOBSA-N	322.261	3.761	50	20	DHGD	
CC/C(=C/C(=O)NNC(=O)c1ccccc1C)c1ccc(C)cc1	741661847	AERUJQYQTAGEJW-SSZFMOIBSA-N	322.408	3.558	50	20	DHGD	
Cc1ccc(Br)cc1C(=O)NNc1ccccc1	743298272	VDHOAAIYQMZNCZ-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	747018828	ZHTWPIPVKURKHD-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CCOC1	748673150	ZCJXPFJCVJFLTD-GFCCVEGCSA-N	318.442	3.750	50	20	DHGD	
O=C(C=C1CCCC1)NNc1ccc(OCC(F)(F)F)cc1	748710747	XJTWNQZWNOWKGW-UHFFFAOYSA-N	314.307	3.571	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2ccccc2CC1	750047115	MVVSBTLOLMABOP-UFWORHAWSA-N	319.364	3.560	50	20	DHGD	
CC(C[C@@H]1CCOC1)=NNC(=O)Nc1ccc(C)cc1Cl	751529641	RKNHKELGHFRRQW-LBPRGKRZSA-N	309.797	3.572	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]2C=C[C@H]1C2)c1c(Cl)cccc1Cl	755698043	NTZCZKLBQOHWHV-GARJFASQSA-N	309.196	3.921	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@]2(C)CCCS2)c(C)c1	758863210	WZVMSQFTXVTNTK-INIZCTEOSA-N	307.463	3.524	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccccc2)c2ncccc12	767934452	HFYQVDRJSZUFSH-UHFFFAOYSA-N	322.368	3.782	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)c1Cl	770053225	UOTIZINDBXHSQO-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1c(C)cccc1F	771689319	WGYJIMWCDMOQKP-OAHLLOKOSA-N	316.376	3.743	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccccc1Br	773455491	ISDGKIMMTQXCDN-JTQLQIEISA-N	311.223	3.719	50	20	DHGD	
CC(C)Sc1cccc(Cl)c1C=NNC(=O)c1ccc[nH]1	786036387	ARWWTHARKLVCHI-UHFFFAOYSA-N	321.833	3.933	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccccc1C(F)(F)F	797337453	IGWQJVOYULULMT-JLHYYAGUSA-N	310.319	3.919	50	20	DHGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)NC2CCCC2)C1	799109770	IWXYHEKJJRFENN-CQSZACIVSA-N	314.433	3.645	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1nc2ccc(OC)cc2cc1C	803059045	XTYFASQIUAZPSJ-LBPRGKRZSA-N	315.417	3.821	50	20	DHGD	
C[C@@H]1CSC[C@@H]1NC(=O)CCCC[C@@H]1CCSS1	803530017	DSOKLUOACVHCOI-UTUOFQBUSA-N	305.534	3.568	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2cccc(Cl)c2)CC1	808247873	UBRJXXPRZOCIQT-UHFFFAOYSA-N	306.620	3.634	50	20	DHGD	
CCc1cc(C(=O)NNc2c(F)cccc2Cl)ccc1O	813522730	RITODJRIKSCLNR-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(Cl)n1)c1ccccc1	817010075	KZFIJIGXQJKEGX-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@H]2CCc3ccccc3C2)cc1	817915375	KMKQLUMZBDGIAP-HNNXBMFYSA-N	324.424	3.724	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCCC[C@H]1C	819576174	JKUXNZJXIVAINS-MNOVXSKESA-N	310.829	3.523	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cc2c(s1)CCOC2	836934750	QZVGYKMVFSYHHO-UHFFFAOYSA-N	322.817	3.540	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)COc1ccc2ccccc2c1	853286047	HGLGFNGPCHXHBT-UHFFFAOYSA-N	323.396	3.651	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CCc2ccccc21	855740672	ZPRMUDFENWKGNQ-OLZOCXBDSA-N	310.235	3.600	50	20	DHGD	
C[C@]1(CNC2CC(c3cccc(F)c3)C2)C[C@H]1Br	857065343	MKEPPVAUCKJESW-UZVIJOLCSA-N	312.226	3.835	50	20	DHGD	
C/C(=C\C(=O)OC[C@H](CBr)C1CC1)c1ccco1	859736941	JUHKTGGRPQHHBW-PMDBQALLSA-N	313.191	3.647	50	20	DHGD	
C[C@H](C(=O)NN[C@H](C)C(F)(F)F)c1ccc2ccccc2c1	862311343	MOGQMIFRIZPJDF-WDEREUQCSA-N	310.319	3.515	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2cccc(F)c2Cl)no1	862508909	CTRXVJSZLNSGME-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC2(CCCC2)C1	901165093	FFRYTBWHAXQSAX-UHFFFAOYSA-N	306.793	3.789	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cc(C)c(OC(F)F)c(C)c1	915849300	PCXBATMGKFFWCM-ZROIWOOFSA-N	322.355	3.728	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)c2c[nH]c3ccccc23)cc1	916288038	SWKFZHSDCUQTAK-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@H](C)Oc2ccc3ccccc3c2)o1	916336041	UCYGRPLNZJZNLH-AWEZNQCLSA-N	322.364	3.659	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2ccc3ccccc3n2)c1	917512864	SGVTWBGVQAXDAB-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2	918714401	USXLQOHMLLRNDU-WCIBSUBMSA-N	305.761	3.981	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(F)c1)c1cc2c(s1)CCC2	921256032	GCTYFIXMTXJOQF-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
O=C(CCNc1ccccc1)NNc1cc(Cl)ccc1Cl	1116343552	JBPCICJCHNKAAG-UHFFFAOYSA-N	324.211	3.939	50	20	DHGD	
CCn1c(C(=O)NNc2c(C)cccc2F)cc2ccccc21	1116636477	NRGIEAFVGMMBOY-UHFFFAOYSA-N	311.360	3.866	50	20	DHGD	
CC(C)CO[C@@H]1CC(=NNC(=O)c2ccccc2Cl)C1(C)C	1318740440	OUUZGKLPAKJOSM-OAHLLOKOSA-N	322.836	3.897	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1ccc(C(=O)O)c(F)c1	1591236774	OJPXXUNHDNVLQF-UHFFFAOYSA-N	310.369	3.574	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(C(=O)O)c(F)c1	1605262067	SSGFQHHHMPBWSB-NSHDSACASA-N	310.369	3.574	50	20	DHGD	
CCOc1ccccc1/C=C(\C#N)C(=O)Nc1ccccc1OC	3616393	AKRHAFDEFUWBSF-NTCAYCPXSA-N	322.364	3.640	50	20	DHGD	
BrCc1cc(-c2ccc(Br)cc2)n[nH]1	35323258	FGZKXARZJWYBAM-UHFFFAOYSA-N	315.996	3.734	50	20	DHGD	
CCN(CC)CCC[C@@H](C)NC(=O)c1cccc(CCl)c1	36930062	IGGWPOJOQRFHTJ-CQSZACIVSA-N	310.869	3.666	50	20	DHGD	
N#CC(=C/c1c(Cl)nc2ccccn12)/C(O)=N/c1ccncc1	91539376	XZPAGAUVQGYZQX-LUAWRHEFSA-N	323.743	3.578	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2ccccc2[nH]1	132915047	NOHFMWRXOZNJPO-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)sc1C	133882926	PGSPSFXNIQFIOY-UHFFFAOYSA-N	319.386	3.674	50	20	DHGD	
CC(C)=CCOc1cccc(C(=O)NNc2ccc(F)cc2)c1	173032463	UOVDWACKSLHDSQ-UHFFFAOYSA-N	314.360	3.928	50	20	DHGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1cc(C)ccn1	176711574	VMFMKXUWGSIASC-UHFFFAOYSA-N	319.792	3.589	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2)oc2c1C(=O)CCC2	178845556	GEXZBROTDGNCFP-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cc(F)c(OC(C)(C)C)c(F)c1	180738834	ZGEORXQMCBEBPS-MDZDMXLPSA-N	324.327	3.525	50	20	DHGD	
COCc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1	181129854	DDPVIZVJQVNSBB-UHFFFAOYSA-N	312.413	3.887	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(O)ccc1Br	255746564	SNNGEJSEUUOKGU-WDZFZDKYSA-N	308.175	3.677	50	20	DHGD	
COc1ccc(CN(C)/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)cc1	255884012	YRJOQOIWRVZJRU-WQRHYEAKSA-N	323.352	3.600	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2c(F)cccc2Cl)CCO1	274512093	UWIVQDNXYLCGHB-QWRGUYRKSA-N	314.788	3.518	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)F)c(SC)cc1OC	296040077	VUACAKVQGZDMII-IZZDOVSWSA-N	323.389	3.650	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCc2c(F)cccc21	727684976	UATXRSPRRFMEJN-UHFFFAOYSA-N	310.372	3.615	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(N2CCCCC2)s1	728431554	XRTRKQNXOADCGD-UHFFFAOYSA-N	307.463	3.625	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)o1	732767193	VGQQNAAMMJUDJJ-LRDDRELGSA-N	321.380	3.577	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1cccc2cccnc12	747356461	RBFQFMKCKAKBAO-UAZNZQHGSA-N	301.349	3.664	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OC[C@H]2C[C@H]3CC[C@H]2C3)c1	747576490	REECOIKEGKNOPZ-DOGZELLCSA-N	311.381	3.582	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccc(OC(F)F)cc1	748649075	CXQAGRQFORAFPT-UHFFFAOYSA-N	300.349	3.948	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)c2ccc(C)o2)cc1	752175036	MWENZQGPQSRUSJ-UHFFFAOYSA-N	300.358	3.531	50	20	DHGD	
O=C(NN=Cc1cc(C(F)(F)F)ccc1Cl)C1CCCC1	753697631	RWJOTCQGQNKUFC-UHFFFAOYSA-N	318.726	3.999	50	20	DHGD	
C/C(=C/C(=O)NNc1cccnc1Cl)c1cccc(Cl)c1	754480564	XVFIXWYGEQNMCT-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
C[C@@H](CC=NNC(=O)CNc1ccccc1F)c1ccccc1	755503861	GPFPXZUWSZRWNX-AWEZNQCLSA-N	313.376	3.533	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1cc(Cl)nc(C)n1)C(C)C	755825461	VRYFMFXIIIFBPK-LBPRGKRZSA-N	312.845	3.734	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1ccc(Cl)nc1)c1ccccc1	760165402	BCLYHPBQJHTMCQ-LBPRGKRZSA-N	301.777	3.538	50	20	DHGD	
Cc1ccc(NC(=O)[C@H](Br)C(C)(C)C)c2[nH]ncc12	767921179	VWEIYAFRZPENFC-LBPRGKRZSA-N	324.222	3.619	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCc2ccccc2C1	767989086	AFASGKQIKHIQTC-CQSZACIVSA-N	324.262	3.771	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1cc(C)ccc1F	768308313	XAGZIGSZEHNIGB-XJKSGUPXSA-N	308.397	3.563	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1c(F)cccc1F	770197313	RPYSMRXLESHCNV-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1cccc(Br)c1	773456666	XLOFFBYPVRURJP-LBPRGKRZSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(OC(C)C)ccc1NC(=O)NNc1ccc(C#N)cc1	775536617	KFGLBIRGHUKFMP-UHFFFAOYSA-N	324.384	3.803	50	20	DHGD	
CCCCSCC(=O)NNc1nc2ccccc2cc1C	777482922	VZRAJFUTOQCNBC-UHFFFAOYSA-N	303.431	3.520	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1ccc(Br)c(C)c1	780991818	HIJJJVRIWSRPFH-PKNBQFBNSA-N	311.223	3.947	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)cs1)C(=O)c1cc2ccccc2o1	782200676	NHACKPQIEXSLEG-VZUCSPMQSA-N	323.329	3.982	50	20	DHGD	
CC(C)C1CCC(NC(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	787440139	GVMWXFQEUQEBTE-LFIBNONCSA-N	312.413	3.630	50	20	DHGD	
CCC1(CC)CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC1	787540321	FLLWFEAOJZKWMB-DTQAZKPQSA-N	312.413	3.728	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)C(=O)c3cccc(F)c3)cn2c1	789148863	TZPPLTCKBFNQMR-RIYZIHGNSA-N	305.312	3.572	50	20	DHGD	
Cc1cnc(NC(=O)NNc2cc(Cl)cc(Cl)c2)s1	790603352	AGSHJSZCCFDVNU-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@@H]1C	790897675	YVSVJVCYMRVGQX-ZFWWWQNUSA-N	324.515	3.894	50	20	DHGD	
CC(=O)c1ccccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791713478	JBRKTKNJLAIAJF-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc2[nH]ncc12	791718523	RELDBUVJLXSOPI-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)c(F)c1)C(=O)NCc1ccccc1	794689817	FEXOFFMVAWMFFF-HASPRUBHSA-N	324.330	3.744	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccccc1C)C1CC1	807228841	IIVUIAJNJXDYSF-UHFFFAOYSA-N	310.488	3.680	50	20	DHGD	
C[C@@H](C[C@@H]1CCOC1)NCc1ccc(OCCCCl)cc1	811484070	OYBIEJYGYWOJMM-HOCLYGCPSA-N	311.853	3.599	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2cccc(C(F)F)c2)cc1	817895703	DKJIGIYHMUNZBA-UHFFFAOYSA-N	320.339	3.709	50	20	DHGD	
CC(C)(C(=O)O)[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)C1	833416437	ZXVIVKZEWZJNDR-FSEGOYHTSA-N	316.376	3.513	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@]1(C#N)CC12CCCC2	836936536	MUOODGSJEYMTBS-INIZCTEOSA-N	303.793	3.566	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2cccc(F)c2)c2ccccc2O1	839709503	RFOARFIFOLDZTK-OAHLLOKOSA-N	314.360	3.614	50	20	DHGD	
CCCc1ccc(C(=O)NNc2ccc(OCC)cc2)s1	868566161	CUAHAJBNSQEMTH-UHFFFAOYSA-N	304.415	3.856	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)CCCC#N)C1	891549746	OBCSTCWMKBDHNZ-CQSZACIVSA-N	310.514	3.693	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cn(CC)nc2C)cc1	899337769	IXYBARFGQPTPNH-BOPFTXTBSA-N	307.397	3.954	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	899352689	NMWRYDZBMHTULE-QPEQYQDCSA-N	310.353	3.778	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1[nH]c(-c2ccccc2)nc1C	915110015	LQOSQJRGDRKQFF-UHFFFAOYSA-N	318.380	3.539	50	20	DHGD	
Cc1cc(C(=O)NN=C/C=C/c2ccco2)c2ccccc2n1	920362733	IEAOFUNTTUOVAI-FZRCAYGRSA-N	305.337	3.565	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccccc1Cl)c1ccc(F)cc1	1320211817	BGGLPEVDTPXFGQ-LLVKDONJSA-N	304.752	3.998	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C1CCC(Cl)CC1	1528045844	DUBBYMVIYHSZHH-UHFFFAOYSA-N	305.180	3.720	50	20	DHGD	
N#C/C(=C/c1cccc(OCCCc2ccccc2)c1)C(=O)O	11886253	YYSXYFUTYFNPSA-ATVHPVEESA-N	307.349	3.690	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cccc(OC(F)F)c1	30611207	PNKNFSBUHIXUMH-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	41692578	FLXNWPCDHXCAKY-UKTHLTGXSA-N	312.756	3.900	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc2c(c1)CCO2	54801855	NQHYJVCCFUVOHK-BOPFTXTBSA-N	318.376	3.784	50	20	DHGD	
Cc1cnccc1NC(=O)NNc1c(Cl)cccc1Cl	120512985	AKVQOGBQIGOAEJ-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(COc1ccccc1)NNc1c(Cl)cccc1Cl	132905297	CWBYYJHEDRHGTN-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc(Cl)n1	153575096	AHLMPEZHWQNXEK-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(O)c(C)c2)cc1	157165618	RDKQEFDJOKSHLI-PTNGSMBKSA-N	322.364	3.645	50	20	DHGD	
CC1CCC(CI)(OC2CCC2)CC1	158371767	SWKBKALFHQMPIJ-UHFFFAOYSA-N	308.203	3.939	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccccc1Cl)c1nc(C)cs1	171719858	OVQBNQUNOZNAFL-NSHDSACASA-N	324.837	3.882	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(O)c(Cl)c1)c1ccccc1	171982152	JKNSFFYCOOUDBS-UKTHLTGXSA-N	312.756	3.616	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1	174052656	UGGUSCPADUMWCX-XNTDXEJSSA-N	310.328	3.518	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	179493692	ZVAOMHHJZKBIPZ-NSHDSACASA-N	320.314	3.907	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccc(Oc2ccccc2)cc1	182438213	DFCHGFCEGLXJCK-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]1c1ccccc1	185759207	LYIOXJBNCFRQML-LPSVBCPPSA-N	318.376	3.519	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc2ncsc2c1	192841363	WFXDPNLNNPWLSG-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(C(C)C)c([N+](=O)[O-])c1	205667063	WRNFBAXJXKLTLA-ZROIWOOFSA-N	315.373	3.541	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)c1ccccc1	254872722	UWCGPLNEQXWFSL-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)s1	490727126	YFCJXMFVSRYARO-UKTHLTGXSA-N	317.458	3.965	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	588555056	IZIMJHAMQKORDX-YRNVUSSQSA-N	321.345	3.598	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNC(=O)c1ccccc1)C(C)(C)C	734522809	YEVXIJGAAYXFSM-OAHLLOKOSA-N	319.449	3.626	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1F)c1cccc2ccccc12	741462962	UFBLIJVGAVJQJC-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cccnc1	741766606	XYBMKLLZPBYWJU-UHFFFAOYSA-N	302.765	3.589	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2nc3ccccc3[nH]2)c(C)c1	743761608	KSAHRELLOPNVPN-UHFFFAOYSA-N	322.412	3.564	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cn(C)c3ccccc23)c(C)c1	744782424	QDZQGLVBHJSDPA-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
COc1ccc(NNC(=O)CCc2c[nH]c3cc(C)ccc23)cc1	746882588	FIKBIOOCWLUHDM-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)cc1	747693558	NTORRFNNMBQPNC-WSYLNHOOSA-N	320.367	3.914	50	20	DHGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C1(C)C	748650594	OPMJGNBMDDCXDE-KBPBESRZSA-N	324.371	3.970	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1ncnc2ccsc12	752127903	TUPARAHHWOANQQ-NSHDSACASA-N	318.446	3.741	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1cccc(C(=O)OC)c1	752772513	QVMYSWBIHMOVSY-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
CN(CC(=O)NNc1cc(Cl)ccc1Cl)c1ccccc1	752807750	MQHJWIGRGRHITC-UHFFFAOYSA-N	324.211	3.573	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@H](CCc2ccccc2)C1	755267973	APRJZPGXCJXEID-TTYLXTBDSA-N	318.420	3.885	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)c(Cl)c2)CC1	767160238	OCBCRHOVSUOSMO-QWHCGFSZSA-N	321.207	3.779	50	20	DHGD	
Cn1c(/C(C#N)=C/c2ccc(C#N)cc2F)nc2ccccc21	772805161	GBLWZQYERCUFCH-NTEUORMPSA-N	302.312	3.648	50	20	DHGD	
Cc1ccc(CCCC=NNC(=O)CNc2ccccc2)cc1C	783787725	CUKTXILQEPHKBH-UHFFFAOYSA-N	323.440	3.840	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OC[C@H]1CCC2(CCCC2)O1	785349119	MDJOUGONWLGAEQ-TXQCQQFXSA-N	311.381	3.629	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(Cl)cc2)cc1	789131353	XMZDINIZBKABRP-YBEGLDIGSA-N	317.797	3.916	50	20	DHGD	
COC1(C=NNC(=O)c2cccc3ccccc23)CCCCC1	790168734	ZJXXZTHXFFKSPK-UHFFFAOYSA-N	310.397	3.905	50	20	DHGD	
CC[C@H](NC(=O)NCCSSC)c1ccc(F)cc1F	790894444	JXKBOCDNSWECLI-LBPRGKRZSA-N	320.430	3.726	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=C[C@]2(C)CCCS2)cc1	792928984	UYIFLDQGINSILP-KRWDZBQOSA-N	304.459	3.985	50	20	DHGD	
CC(=NNC(=O)Cc1cccnc1)[C@@H](C)c1ccc(Cl)cc1	794508919	UREWVXBTFNFUSB-GFCCVEGCSA-N	315.804	3.573	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3cccc(C#N)c3)c2c1	802823849	HRLYGOLLTGNPBG-UHFFFAOYSA-N	305.337	3.624	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ncccc1F)c1ccc(C)cc1	804213594	MSDFJXLBXHCMJJ-ZDUSSCGKSA-N	301.365	3.556	50	20	DHGD	
C=C(CBr)CN1CCCn2c(cc3ccccc32)C1	805841064	DNTASOVPCLSFSG-UHFFFAOYSA-N	319.246	3.798	50	20	DHGD	
CCN(C(=O)NCCSSC)[C@@H](C)Cc1ccsc1	807233849	NSABVIHMUPACMA-NSHDSACASA-N	318.533	3.722	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(F)cc1C(F)(F)F	808246643	GZTXDDHNIFLSGX-UHFFFAOYSA-N	318.097	3.720	50	20	DHGD	
CCOCC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	808466101	RHSYCSVIXQPZFH-ZDUSSCGKSA-N	319.536	3.879	50	20	DHGD	
CSCC[C@@H](C)NC(=O)NNc1c(C)cccc1C(C)C	813077740	ZYXBAUSFLXCXIS-CYBMUJFWSA-N	309.479	3.886	50	20	DHGD	
Cc1ccoc1CNC(=O)NNc1cc(Cl)ccc1Cl	813844045	LZJCRQOMBMLZAZ-UHFFFAOYSA-N	314.172	3.721	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1cc(Cl)nc(Cl)c1	819746859	GTLDYEDKNOJBHL-RKDXNWHRSA-N	302.205	3.658	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cccc(CN)c2)cc1	841304582	SSWCIIAOUCMAGO-UHFFFAOYSA-N	312.417	3.591	50	20	DHGD	
COCCCCN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844335981	JNYOTDPJEVNNLW-HNNXBMFYSA-N	301.547	3.899	50	20	DHGD	
CC(C)(CC(=O)NC[C@@]1(C)C[C@H]1Br)c1ccccc1	857404457	YHQDGYMIZNTQAU-CZUORRHYSA-N	324.262	3.644	50	20	DHGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)oc2ccc(Cl)cc12	862305587	QPMIDWPEJWAZPA-ZETCQYMHSA-N	320.698	3.580	50	20	DHGD	
C[C@H](NNC(=O)c1ccc(C2CCCC2)cc1)C(F)(F)F	862321574	YGPKFPXJRJGFLF-JTQLQIEISA-N	300.324	3.529	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ncnc(Cl)c2C(C)C)s1	868886730	VNXXUTIJUSAJFJ-UHFFFAOYSA-N	324.837	3.689	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2cc(Cl)ccc2C)cs1	885125666	VDWPDCHIXLYZCF-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
C[C@@]1(C(=O)Nc2ccc(C(F)F)cc2)C[C@@H]1Br	885582786	NMKKQCURJPQQMF-JOYOIKCWSA-N	304.134	3.736	50	20	DHGD	
CSc1ccc(N(C)C(=O)[C@@]2(C)C[C@H]2Br)cc1	906663250	DLOJVEOKIVYHHH-YPMHNXCESA-N	314.248	3.545	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)cc1	915848816	DBALFFNQWLQQMX-LGMDPLHJSA-N	319.408	3.886	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1cccc(O)c1	915972633	QWGBYUDIAZIUAO-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
Cc1ccsc1C=NNC(=O)CSc1ccc(Cl)cc1	916273462	FCXGHJFHLSLPCF-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
CCC(=NNC(=O)NCc1ccco1)c1cccc(Cl)c1	920825436	IRFYCLIUJXNAHO-UHFFFAOYSA-N	305.765	3.547	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1(Sc2ccccc2)CC1	1320359678	XZZOMJBPRLLCJN-UHFFFAOYSA-N	316.401	3.902	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)NC12CC3CC(CC(C3)C1)C2	107681378	UJRYISFUDGGMTA-NVMNQCDNSA-N	306.409	3.679	50	20	DHGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccccc2)c1	111552800	SURYDVBFJLLPAL-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1ccc(OC(F)F)cc1	122897961	BEJSWKTYRRMXLH-JTQLQIEISA-N	318.389	3.653	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(F)c(F)cc2Cl)c1	126677599	WAJVSKRMJPKTRI-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
CCc1c(C(=O)NNc2ccccc2Cl)cnn1CC(C)C	161107915	NAOYATKRCVSLJC-UHFFFAOYSA-N	320.824	3.512	50	20	DHGD	
CO[C@H](CNC(=O)CCCC[C@H]1CCSS1)C(C)(C)C	174789880	SPURMXSLFZVNJK-QWHCGFSZSA-N	319.536	3.878	50	20	DHGD	
Cc1cccnc1NC(=O)NNc1c(Cl)cccc1Cl	178070870	SFWKFGBSCXNVQJ-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)ccc1F	179706138	VWXKOJJEIBIBRC-GXDHUFHOSA-N	323.323	3.695	50	20	DHGD	
C/C(=C\C(=O)NNc1ccccn1)c1cccc(C(F)(F)F)c1	181225611	FPBNCBVYIOOSLD-PKNBQFBNSA-N	321.302	3.647	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(OC(F)(F)F)cc1	188971408	QWHZRMCDMCKJTK-CYBMUJFWSA-N	302.296	3.631	50	20	DHGD	
CN1/C(=C\C=NNC(=O)c2ccccc2)C(C)(C)c2ccccc21	254394488	XCKZWFOEHRCHDR-QANWMVEUSA-N	319.408	3.714	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@H](C)c2ccccc2)cc1C	254616116	BFBXPOKWYIPYGI-INIZCTEOSA-N	310.397	3.588	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1	272885286	WDZICJYOWAGYLQ-WBVHZDCISA-N	304.434	3.588	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cnc1Cl	490725105	DNSQNCLNZGJPMS-NTEUORMPSA-N	317.820	3.742	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@H]1CCC[C@@H](C)C1)c1ccccc1	731996887	GXLKVIUXBMYEAU-VYDXJSESSA-N	316.445	3.544	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(Oc2cccnc2)c(C)c1	732713233	ZQEVQTHWTBXYKP-ZDUSSCGKSA-N	311.385	3.679	50	20	DHGD	
CC(=NNC(=O)c1ccc(Br)s1)C1CCCC1	733075996	ANPZUJDVFMLOCY-UHFFFAOYSA-N	315.236	3.807	50	20	DHGD	
Cc1cccc(CC(=NNC(=O)CNc2ccccc2)C2CC2)c1	736427720	CHURGQJIGISSFP-UHFFFAOYSA-N	321.424	3.532	50	20	DHGD	
O=C(NCCc1cccs1)NN=C1CCC[C@@H](C2CC2)C1	737430017	IMLZLZWVXXBOOU-CYBMUJFWSA-N	305.447	3.546	50	20	DHGD	
O=C(NN=Cc1ccncc1)Nc1ccc(-c2ccccc2)cc1	741766579	WZQQDYIVUFBGED-UHFFFAOYSA-N	316.364	3.904	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1cccc2cnccc12	748770240	ZXZJXJRXVMLQQQ-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
CC1(C)CCC[C@@H](C=NNC(=O)CCc2ccccc2O)C1	752730281	MBMSAGVYGWABIN-CQSZACIVSA-N	302.418	3.643	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1ccc(-c2ccccc2)nn1	754469745	HQMFPIZTJPXBRY-UHFFFAOYSA-N	324.428	3.947	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)c1ccc2ccccc2n1	755464092	QNKBPCGJMBJMLL-DLBZAZTESA-N	315.376	3.754	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cc(Cl)cc2cccnc12	763168251	HTMKPJWCJMVOOV-UHFFFAOYSA-N	315.804	3.919	50	20	DHGD	
CCN(C[C@@H]1COc2ccccc2O1)/C(=C/C#N)c1ccccc1	764121040	LZFKIXZGJHLAKO-YPOUMIDOSA-N	320.392	3.713	50	20	DHGD	
C[C@H](CCC(C)(C)C)NC(=O)NNc1ncnc2ccsc12	765789528	PJLURJZFSNVODZ-SNVBAGLBSA-N	321.450	3.532	50	20	DHGD	
Cc1cc2c(O)nc([C@@H]3CC[C@H](Br)C3)nc2s1	765983366	VDLDELRADYBBRC-SFYZADRCSA-N	313.220	3.736	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@H](C)[C@H](C)C1	767355155	CXFRXMADAIBFBZ-WDEREUQCSA-N	308.809	3.891	50	20	DHGD	
C[C@H](Sc1ccccc1Cl)C(=O)NCCCSC#N	773584712	DFWORLOGUFVZLZ-JTQLQIEISA-N	314.863	3.541	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccc(C#N)c(Cl)c2)cc1	775404125	CVLKRAHTDDHGDA-UHFFFAOYSA-N	314.776	3.923	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc3[nH]ncc23)cc1	781042260	NLEUECPBAQDGCF-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2cc(SC)ncn2)cc1F	782355103	SEPMCCNDHSTTER-WUXMJOGZSA-N	315.373	3.800	50	20	DHGD	
C[C@@H](Oc1ccc(C(F)(F)F)cc1)C(=O)NNc1ccccc1	783679957	UJFHXEWRGQDZPL-LLVKDONJSA-N	324.302	3.616	50	20	DHGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)c1	785169217	HUIPLYOKVRVBQG-BOPFTXTBSA-N	308.356	3.700	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)c1	786106716	PUGRZCMGFOKORW-XBJPGOICSA-N	320.392	3.935	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)/C=C2\CC[C@@H](C)C2)c(Cl)c1	802050899	NDFQFMKFCZTVOT-QSARLWQPSA-N	321.808	3.548	50	20	DHGD	
CC(C)(C)C1CCC(=CC(=O)NNc2cccc(F)n2)CC1	804772319	DUZPVZFCTUPHND-UHFFFAOYSA-N	305.397	3.827	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1ccc2c3c(cccc13)CC2	806178099	OTNAMYPTJQNRNU-UHFFFAOYSA-N	322.343	3.621	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@H]2CCCC[C@@H]21	806861489	PHDFFFTWLUPXOZ-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/C1=Cc2ccccc2OC1	810197747	UQGHGPWYUUWZJJ-RUFAVTIMSA-N	322.408	3.607	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1C#N)c1nc(-c2ccccc2)no1	811688204	NIBNFOLHBQMGHI-NTEUORMPSA-N	316.295	3.812	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC1C[C@H](C)O[C@@H](C)C1	813124391	YUJPWAYTLDYTNN-KBPBESRZSA-N	319.449	3.701	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1CC[C@H]1C1CC1	814753909	FNLPLUCPNKIQJT-AWEZNQCLSA-N	306.406	3.600	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1nc(Cl)sc1Cl	816843931	IDZZGZNYNFIYFS-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
Cc1cnc(OCCO[Si](C)(C)C(C)(C)C)c([N+](=O)[O-])c1	821083921	BXBIVVCHABGVMD-UHFFFAOYSA-N	312.442	3.699	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(F)c(F)c1F	825699804	IYMSUHWUPAODHO-LURJTMIESA-N	314.229	3.526	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1cnccc1Cl	839773849	IKKHMOFTZUOQDQ-UHFFFAOYSA-N	317.820	3.853	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1Cc1ccnc(N)c1	844349257	KFDDAGXKFMJKMU-OAHLLOKOSA-N	321.541	3.650	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1	852522866	RAZWMNYREGPJGC-HUUCEWRRSA-N	307.514	3.526	50	20	DHGD	
COC1(C(C)=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCC1	853276909	JFXBAAZICUCVKX-LLVKDONJSA-N	320.458	3.548	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccnc(Cl)c2)o1	855469729	PWDBJDBGRGEKNT-ZWNOBZJWSA-N	319.792	3.527	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(C)c(F)c1)c1ccccn1	856227945	OCBLUIIFTQLHQF-AWEZNQCLSA-N	301.365	3.556	50	20	DHGD	
CC/C=C(/C)C(=O)NNc1ccc(Cl)cc1Br	856232413	CDPFKTMJXPTSLC-YWEYNIOJSA-N	317.614	3.902	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)c(C)c1	856811730	SQFOLFVDLOAPSF-GXTWGEPZSA-N	311.223	3.598	50	20	DHGD	
CCOC(C)(C)C(=O)NNc1ccccc1Cc1ccccc1	869143709	AKMKGHCXLYMEPH-UHFFFAOYSA-N	312.413	3.536	50	20	DHGD	
CC(C)(C)C(=O)NNc1ccc(Cl)c(Br)c1	887211279	FNUKKUWKBZTYPA-UHFFFAOYSA-N	305.603	3.592	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)CC)c1cc(Cl)cc(Cl)c1O	915976203	FPSXIAZIIITPSF-QMMMGPOBSA-N	317.216	3.975	50	20	DHGD	
O=C(NN=Cc1c(F)cccc1Cl)c1cccc(Cl)c1	916278065	FSGGWFARVBXHLH-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2ccc(C(C)(C)C)nn2)CC1	1253581633	YJCOMIDVMWOQAW-HDJSIYSDSA-N	318.465	3.680	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1CC	1323442462	BLRGCYHSKOBUMD-UHFFFAOYSA-N	303.793	3.617	50	20	DHGD	
COc1ccc2cc(C(=O)N(C)CC(Cl)Cl)ccc2c1	1332906080	NKCJRLJNIWLPRH-UHFFFAOYSA-N	312.196	3.724	50	20	DHGD	
C[C@H](CCCc1cccnc1)NC(=O)c1cccc(CCl)c1	1353716718	MLYNBBXQKQEYSN-CQSZACIVSA-N	316.832	3.962	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2)cc1	33471963	UMCNJOQVIRHMSE-BOPFTXTBSA-N	301.349	3.666	50	20	DHGD	
O=c1[nH]c(C(Cl)Cl)nc2sc3c(c12)CCCCC3	123093948	NPNMRJZDYZLXGQ-UHFFFAOYSA-N	303.214	3.730	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc(OC(F)F)c2)c1	127633227	BRODBLMCCXVAEZ-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1cc2ccccc2o1	131631443	ZIDMNUDKGDUQIX-UHFFFAOYSA-N	321.258	3.604	50	20	DHGD	
CC(C)c1ccccc1OCCC(=O)NNc1ccc(C#N)cc1	152776331	IBZFWELHQXFLRP-UHFFFAOYSA-N	323.396	3.594	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)NNc2ccccc2F)s1	153208074	GUCMFHVJCFIDJF-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1csc2ccccc12	154742147	PRQRCTJTPQIXJH-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(-c3ccco3)nc2C)cc1	158789361	OIVBSQWMSAOBRD-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CCN3C)c1	178887445	VDZTZHUVTIPAJR-SFQUDFHCSA-N	317.392	3.533	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)Nc1ccc(Cl)cc1	179171815	QHGLOUDZLNGSOX-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc2ncsc2c1	184295689	IGHOZJLDNURQMB-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC[C@@]2(C1)OCc1ccccc12	186718288	CPPFWCJADLVMTM-POUSBKIOSA-N	302.377	3.682	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)c(F)c1)C(=O)Nc1ccc(F)cc1	255094009	WIBRGDVFQZZFQL-BJMVGYQFSA-N	320.245	3.789	50	20	DHGD	
COc1cccc([C@@H](C)CCCC(=O)N2CC=C(C#N)CC2)c1	279740610	NIGBZHSHBYAGHN-HNNXBMFYSA-N	312.413	3.651	50	20	DHGD	
CCC1CC(=O)C(=CNc2ccc(SC#N)cc2)C(=O)C1	299268462	QFWQUDUOGUFELQ-UHFFFAOYSA-N	300.383	3.514	50	20	DHGD	
Cc1ccc2c(c1)C(=NNC(=O)c1cccc3ncccc13)CC2	730952532	YOXKSGKUNCTPJT-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)CCc1ccccc1F	734096600	SFVGECRRGSLNPU-UHFFFAOYSA-N	314.360	3.573	50	20	DHGD	
O=C(NCCOc1ccc2ccccc2c1)NNc1ccccc1	734265293	HVSOALYUOOPLOU-UHFFFAOYSA-N	321.380	3.545	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C2CCC[C@H]2c2ccc(F)cc2)cc1	741162831	LETIVGUOQAEBSU-KRWDZBQOSA-N	321.355	3.751	50	20	DHGD	
CC(=NNC(=O)c1cccc(Br)c1)c1ccc(C)o1	741768951	CRWHVHYIXRCUNW-UHFFFAOYSA-N	321.174	3.505	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc3ccccc3c2)[C@@H]2CCCO[C@@H]21	743437118	CATVOGGJERTYCT-WMZOPIPTSA-N	322.408	3.761	50	20	DHGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	745889674	HQYVAZHZKRFTAB-RKDXNWHRSA-N	303.328	3.555	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2coc3ccccc23)cc1C	746559552	YNOLDNQRYNKGEZ-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2cccc(F)c2)c(C)c1	748099139	WJGVYXMTTQGVNG-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)[C@H](C)c1nc2ccccc2s1	748786811	UVTMNNSBNMKMSE-QWRGUYRKSA-N	303.431	3.938	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1ccc(OC(F)F)cc1	749450421	UOSBKJZMPXUKBC-UHFFFAOYSA-N	310.344	3.709	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@H]1C[C@H](C)c2c(C)cccc21	754312652	XPNREVHJXNBVGD-LSDHHAIUSA-N	309.413	3.823	50	20	DHGD	
CCCCO[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757424399	BFILOKCJCZWPPM-LBPRGKRZSA-N	317.341	3.859	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(OC(C)(C)C)cc1	764909290	SUBYGWISDVETKO-UHFFFAOYSA-N	314.385	3.919	50	20	DHGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)OC1CCCCC1	765499912	HNKNVBFDDPMXMX-LUAWRHEFSA-N	324.302	3.883	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(-c3ccc(F)cc3)cc2F)CC1	767156028	CDRRROKTYJKDAD-UHFFFAOYSA-N	324.330	3.928	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccccc3)on2)CC[C@H]1C	767356554	UOIKEKMJKWPGNO-OLZOCXBDSA-N	311.385	3.884	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cnn(-c2ccccc2)c1	769583420	BVKRWMAZKLTPKE-GJZGRUSLSA-N	324.428	3.804	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1c(F)cc(F)cc1F	770048805	MUISKZYDYGUONE-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CC(C)(C)c1ccc2cc(C(=O)NNc3ccccn3)[nH]c2c1	777469161	ZLQHDUGKJRHNSC-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1cccc(C#N)c1)c1ccccc1	779008357	LZLFXZJLFRQGNY-SFHVURJKSA-N	305.381	3.751	50	20	DHGD	
COc1ccc(C)cc1COC(=O)/C(C#N)=C/c1ccccc1	785362962	BGGQTRYKMIPLND-LFIBNONCSA-N	307.349	3.654	50	20	DHGD	
COc1cc(NNC(=O)CSc2ccccc2)ccc1Cl	790178510	ZJRJVBTXHAYRDU-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
CSSCCNC(=O)N(C)CCCCc1ccccc1	790879057	OQCDXWQTXXFEKZ-UHFFFAOYSA-N	312.504	3.662	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1/C=C/c1ccccc1	790879907	VDNFRTZDJGOBSW-BOLDSZDNSA-N	322.499	3.885	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	800520927	QVNONPNFAJPPJU-SNVBAGLBSA-N	313.323	3.846	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2ccccn2)c(-c2cnn(C)c2)c1	801647657	MQKSTZCUGYSIIC-YBEGLDIGSA-N	300.365	3.855	50	20	DHGD	
CC[C@H](NC(=O)NNc1cccc(F)n1)c1cccc(Cl)c1	804947514	ALEJUWWPGSELMZ-LBPRGKRZSA-N	322.771	3.652	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CC[C@@H]3CC)n[nH]2)cc1	807976689	SWIHIVFCIHLVNQ-ZDUSSCGKSA-N	310.401	3.545	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CC[C@H]3C3CC3)cc2C1	814760051	YNRURDPDZDXYMY-MFKMUULPSA-N	302.443	3.779	50	20	DHGD	
O=C(NN=Cc1nc2c(s1)CCC2)c1ccc2ccccc2c1	814810519	OWFXYEGDOGJATQ-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccc(Cl)c(F)c2)c1	815853448	LDJYQGSANYTLOP-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1cc(C)n(C(C)C)n1	835075260	WKNUFVPBQGPETB-UHFFFAOYSA-N	317.345	3.517	50	20	DHGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCC[C@H]1CCSS1	836883970	ZLVZSMLVLQIRCS-MJBXVCDLSA-N	315.504	3.550	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(NCC3CC3)nc2)cc1	837059578	VMKXIBRHEBJABZ-UHFFFAOYSA-N	324.428	3.784	50	20	DHGD	
CCOc1ccc(NNC(=O)N[C@@H](C)c2ccc(C)cc2)cc1	837737391	UEGQZGZQXFDMSN-AWEZNQCLSA-N	313.401	3.781	50	20	DHGD	
CCC(CC)(CC(=O)NNc1ccc2ccccc2c1)C(=O)O	839394556	MSQNHEPHDCFHGL-UHFFFAOYSA-N	314.385	3.564	50	20	DHGD	
CO[C@@H](C)CCC(=O)NNc1ccccc1Oc1ccccc1	846460856	GPEXZXLUHFPLHX-AWEZNQCLSA-N	314.385	3.737	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)F)cc(C(F)(F)F)c1	863190590	BVUNVUOGRLWVCI-ONNFQVAWSA-N	315.266	3.938	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cc(F)ccc1F	885141877	OROMAFCCTZAVQA-UHFFFAOYSA-N	319.355	3.803	50	20	DHGD	
CC(=NNC(=O)COc1ccc(Cl)cc1)C1CCCCC1	916301751	BYFWIDOYTOWGED-UHFFFAOYSA-N	308.809	3.791	50	20	DHGD	
CC(CCc1cccc(F)c1)=NNC(=O)c1ccc(Cl)nc1	920374576	HBRLOKXOBXRYMQ-UHFFFAOYSA-N	319.767	3.613	50	20	DHGD	
CCC(=NNC(=O)CCN1CCC(C)CC1)C1CCCCC1	1318120543	MECYSYSDSZVKJG-UHFFFAOYSA-N	307.482	3.571	50	20	DHGD	
O=C(O)c1ccc(/C=C/c2ccc(OCCCCl)cc2)nc1	1602330732	NVAGVWSRLSNQCS-QHHAFSJGSA-N	317.772	3.958	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3n2C)cc(OC)c1	6210064	XWKBHBPWKIXEOP-RIYZIHGNSA-N	319.364	3.655	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2F)s1)C(=O)NC1CC1	27057377	VMVWHEAETUTTOZ-PKNBQFBNSA-N	312.369	3.740	50	20	DHGD	
CCO[C@@H](CBr)c1ccc(Br)cc1	50479652	RMQRWFFTLYLVNT-JTQLQIEISA-N	308.013	3.922	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc(F)cc2F)cc1	66325988	KUIHAJREPNUCPP-UHFFFAOYSA-N	308.353	3.509	50	20	DHGD	
CC(C)(C)c1nc(CC(=O)NNc2ccc(Cl)cc2)cs1	120146655	LOUNKCNNDMRQOX-UHFFFAOYSA-N	323.849	3.780	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNC(=O)c1ccc2ccccc2c1	134445932	UQKBLXRRYJJNCE-UHFFFAOYSA-N	318.376	3.531	50	20	DHGD	
N#CC(C#N)=CNCc1ccccc1COc1ccccc1Cl	157504826	SYXKSZYHBJQDIX-UHFFFAOYSA-N	323.783	3.940	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C(C)(C)c2ccccc2C)c1	178587052	FHRDDHJEMAQCOB-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccccc2F)cc1[N+](=O)[O-]	190246407	OWEJPGCTOFTIJO-UHFFFAOYSA-N	317.320	3.614	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(C(C)C)c(Cl)c2)nc(C)n1	190532325	XRDOCRRBQIEDIG-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(F)c(F)c(F)c1F	192841645	LSCXCPJIEXUUPV-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(Br)cc1	254406217	FWUZTGPKISHQBJ-UHFFFAOYSA-N	313.195	3.698	50	20	DHGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)S(C)(=O)=O	301909075	SUIJBWWWEOEQSN-BENRWUELSA-N	303.383	3.684	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2OC)cc1	490664091	NWCSEKZFJMRQJZ-GHRIWEEISA-N	318.376	3.571	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(F)nc1	588523600	FPOABMSKNXVKFV-MDWZMJQESA-N	305.312	3.800	50	20	DHGD	
CCC[C@@H](C)C(=O)NNc1ccc(Br)cc1Cl	733808375	OXSBDGVLWLCLOC-MRVPVSSYSA-N	319.630	3.982	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)[C@@H](C)c1ccccc1	746369910	BEORSFUDYMIPIC-OAHLLOKOSA-N	310.397	3.670	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)c(C)c1	746696893	AZFLQTWFVDILKH-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccccc2F)cc1Cl	748050681	PTBKKMVCRFHYHB-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
CCc1noc(C)c1C(=O)NNc1cc(Cl)ccc1Cl	748506777	FUPPBMAWCJDCGI-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
CC(C)[C@@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CCS1	750055460	WRNFSTZYBCGVPA-PJVYJYFWSA-N	317.414	3.533	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)CN1CCCCC1)C1CCCCC1	750935109	MUKIAASFGIDPKZ-OAHLLOKOSA-N	307.482	3.571	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(C)C)cc1	751180267	ROLKWZVQIZZTRO-UHFFFAOYSA-N	315.325	3.946	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(Br)c(Cl)c1	754933867	YIVDYHWIDQKWFY-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc(Cl)cs1	760517126	JQMTWZQDLMXQBN-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
Cc1ccc(C=NNC(=O)CCc2ccccc2)cc1Cl	766447414	NMOGFZUZRMMGIU-UHFFFAOYSA-N	300.789	3.731	50	20	DHGD	
Cc1cccc2c1N(C(=O)[C@@H](Br)C(C)(C)C)CC2	768225474	FOXZNUDTCCZUMC-CYBMUJFWSA-N	310.235	3.694	50	20	DHGD	
CCNC(=O)NN=CCCCc1ccc(Cl)c(Cl)c1	768768680	OTUMYXQQIUBPAW-UHFFFAOYSA-N	302.205	3.621	50	20	DHGD	
N#CC(C#N)=CNCC1(c2c(Cl)cccc2Cl)CCC1	772177343	SOVVOXULOWUROD-UHFFFAOYSA-N	306.196	3.936	50	20	DHGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	773736671	RAEWBQFVJPNXGH-CYBMUJFWSA-N	305.466	3.594	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C(F)(F)F)cc2)sn1	775657563	NPYLCYJPLGMMSI-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)nn1[C@H](C)C1CC1	777291072	PAZRXTLUYJBMLG-LLVKDONJSA-N	318.808	3.573	50	20	DHGD	
COC1CCC(=NNC(=O)c2cc3c(s2)CCCCC3)CC1	783815989	JOBMEMSRBMGIDK-UHFFFAOYSA-N	320.458	3.692	50	20	DHGD	
C[C@]1(C#N)CCCN(C(=O)CCCC[C@H]2CCSS2)C1	784747582	OWAHKRMKQWOXDT-DZGCQCFKSA-N	312.504	3.853	50	20	DHGD	
CCC1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCCCC1	787524926	KPTYYTYQAVXKAY-FOWTUZBSSA-N	312.413	3.776	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(/C#N)C(=O)[C@H]1CCCOC1	794952971	JOQGEITZFFNJGX-IAOKNECISA-N	303.789	3.860	50	20	DHGD	
CSSCCNC(=O)CCSc1cccc(Cl)c1	808424292	XTSKHKPUBIBBQA-UHFFFAOYSA-N	321.920	3.950	50	20	DHGD	
CSSCCNC(=O)c1nc2ccccc2cc1Cl	810721063	TZABSOWVCKPRJW-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1sc(-c2ccccc2)nc1C	814989252	IIGHLUROQKLBCH-UHFFFAOYSA-N	313.426	3.759	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCOc1ccc(Cl)cc1	816629715	YDBHXXZKFGJPME-UHFFFAOYSA-N	324.635	3.761	50	20	DHGD	
C[C@H](NC(=O)NNc1c(Cl)cccc1Cl)C(F)(F)F	824392011	VAVGCBLLJOIXAE-YFKPBYRVSA-N	316.110	3.570	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCCc2nccs2)cc1	837059554	VKKHXGSRUHFOTJ-UHFFFAOYSA-N	303.431	3.733	50	20	DHGD	
Cc1c(C(=O)NCC(Cl)Cl)sc2cc(F)ccc12	837648531	SILDQLIFCNHDIV-UHFFFAOYSA-N	306.189	3.882	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1oc2ccccc2c1Br	848403281	PZFRTRWXEYTLPE-UHFFFAOYSA-N	323.190	3.692	50	20	DHGD	
CCOC1CCC(=NNC(=O)c2ccc3ccccc3c2)CC1	853294557	VICMJRZWEXCZQZ-UHFFFAOYSA-N	310.397	3.905	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2c[nH]c3ccccc23)cc1	916345974	RNPKUHSYSUDXLG-UHFFFAOYSA-N	323.421	3.719	50	20	DHGD	
CNC(=O)c1ccc(/C=C(\C#N)c2ccc3ccccc3n2)cc1	917145376	YUSOMAOODLLXRE-SFQUDFHCSA-N	313.360	3.659	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)[C@H](C)CC)c1C	920016254	VKGOBPNUGUUNHB-SCCNBLSMSA-N	315.461	3.973	50	20	DHGD	
COCC[C@@H](NC(=O)c1cccc(CCl)c1)c1ccc(C)o1	1120628608	GZKGXRRXVBKEKE-OAHLLOKOSA-N	321.804	3.834	50	20	DHGD	
C[C@]1(COC(=O)[C@H]2CCCC(F)(F)C2)C[C@@H]1Br	1515797428	HIPFNLDCAZCFIY-ATZCPNFKSA-N	311.166	3.529	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(/C=C\C(=O)O)o3)[nH]c12	1777448323	VSXOKDWECGPCNY-JNWHFCKMSA-N	319.320	3.626	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)cc1	1777465239	ZXEZAEDPPDFUQI-ATRNFBLSSA-N	317.344	3.883	50	20	DHGD	
C[C@H](NC(=O)c1ccccc1NC=C(C#N)C#N)c1ccccc1	15241208	ZARZSFHUGBILMB-AWEZNQCLSA-N	316.364	3.521	50	20	DHGD	
Cc1cccc(C)c1NS(=O)(=O)c1ccc(CCCl)cc1	20190855	RPWIWLUBGBZZIT-UHFFFAOYSA-N	323.845	3.886	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)C1CCCCCC1	101948861	YWOBLQOVNRGMQX-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccc(Cl)n1	132917823	SPQCMKOZLLUPKJ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CSCCCCC(=O)NNc1c(Cl)cccc1Cl	132969833	HISPZTHLSPDXQQ-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ccncc1Cl	152332923	KQHRFNUPODEKRD-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
N#Cc1cccc(NNC(=O)CCCCCc2cccs2)c1	152678033	LWWRNXRERUAUOJ-UHFFFAOYSA-N	313.426	3.866	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)n2)cc1	153201848	TUCBSUMDJRQEFA-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)Nc1ccsc1	162306793	JWGLCCSSPJYION-UHFFFAOYSA-N	301.293	3.916	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cc(O)ccc2[N+](=O)[O-])c1C	178724571	LPQFLAFZHQRIBS-ZSOIEALJSA-N	322.320	3.707	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)cc(C)c1F	179342716	OZXWMZVPCXHSHI-UHFFFAOYSA-N	312.266	3.617	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)c1ccc2c(c1)OCO2	195228137	UVMNPNIRTNKCBD-XCVCLJGOSA-N	317.753	3.920	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC1CCC1)[C@H](C)c1ccccc1	269467744	JZLXGYMTVYCYTQ-LWFDYCOSSA-N	312.413	3.820	50	20	DHGD	
C=C(CBr)CN[C@H](C)c1cccc(N2CCCC2)c1	279582780	CPVUPBAYKVMBHU-CQSZACIVSA-N	323.278	3.889	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCC(=O)c1cccs1	281840777	SYBAVCNAMZKBQH-UHFFFAOYSA-N	316.426	3.725	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1Nc1ccccc1	490814701	XEMASHJYOHBIMT-YPKPFQOOSA-N	307.353	3.813	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)c1cc(Cl)sc1Cl	725847246	GLYUUGZMTYFIHM-UHFFFAOYSA-N	316.213	3.547	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	727777207	LJHOKYSERXTLOT-DZGCQCFKSA-N	318.417	3.557	50	20	DHGD	
Cc1ccccc1[C@H](NC(=O)NNc1cccc(C#N)c1)C(C)C	732705007	MUOUCMHSSZJFKP-GOSISDBHSA-N	322.412	3.890	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1sccc1C	733746381	MTPTUGZKNWILKP-UHFFFAOYSA-N	306.818	3.793	50	20	DHGD	
Cc1cc(C(=O)/C=C\c2cnn(CCCl)c2)cc(C)c1F	741468981	ZINPCCYWPBLLQC-ARJAWSKDSA-N	306.768	3.774	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OC2CCCC2)c(F)c1	742025489	HMUZDRBUXBMKCD-VAWYXSNFSA-N	318.348	3.530	50	20	DHGD	
CCCCCOc1cc(C=NNC(=O)[C@@H](C)CC)ccc1OC	747048126	RWKDGFIKSHLAGX-AWEZNQCLSA-N	320.433	3.760	50	20	DHGD	
CN(C)CCCCN(C)C(=O)CCCC[C@H]1CCSS1	747400211	XXKOOIDVKDZNMJ-AWEZNQCLSA-N	318.552	3.501	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cc(Br)c[nH]1	748250591	OLINUOMNYSIJLK-SECBINFHSA-N	314.227	3.709	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1ccccc1Cl	748317255	GALVHKHPUILVSO-OAHLLOKOSA-N	318.804	3.949	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2c(C)cccc2C)c1	748351794	FCGSGONLBBXHCU-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-n3ccc(C)n3)cc2)c1	748416722	UHNVSEOFHFZNEO-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)c2cc3ccccc3o2)c1	749829098	KYQXASRAXUDLRG-UHFFFAOYSA-N	322.364	3.984	50	20	DHGD	
COc1ccc2ccccc2c1C=NNC(=O)c1ccc(C)o1	752174338	HMAVHERVESIFOG-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CC(C)C2)c(C)n1CC(C)C	752700478	BNJWNQKCBJURLW-RQZCQDPDSA-N	313.445	3.583	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C(CC)CC	753177717	OBRCIPLUNKRGDY-UHFFFAOYSA-N	313.239	3.891	50	20	DHGD	
CC[C@H](C)C=NNC(=O)c1sc(-c2ccccc2)nc1C	755566371	KHHONZVUGFGDKY-NSHDSACASA-N	301.415	3.880	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cccc2[nH]ccc12)c1ccccc1	755723160	RWWDLXOQFBAOFM-MRXNPFEDSA-N	305.381	3.812	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cn1	764888860	ZBTBNMLEKQRNCQ-MLPAPPSSSA-N	305.312	3.800	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCc1ccc(Cl)s1	767030934	UIFFIWYCIYZWPS-SECBINFHSA-N	324.671	3.827	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@H]1c1ccccc1	767032532	NTEIMRCQYZSDPD-STQMWFEESA-N	310.235	3.770	50	20	DHGD	
Cc1ccc(C[C@H](C)NC(=O)NNc2c(C)cccc2F)s1	771326772	CKEGQNIQBCYXBD-NSHDSACASA-N	321.421	3.761	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc(F)cc(Cl)c2)cc1	776723229	CYTDGQQCEQMTMO-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@@H](C)[C@@H](C)CC	779869583	JZMYKMSFKJPOOR-AAEUAGOBSA-N	321.490	3.557	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cc(Cl)cc(C(F)(F)F)c1	780211478	JPOOFXPHJZHGKQ-UHFFFAOYSA-N	306.715	3.855	50	20	DHGD	
COc1cc(NC(=O)[C@@H](Br)C(C)(C)C)ccc1F	781583694	VEXMFGAJNJGQKT-LLVKDONJSA-N	318.186	3.582	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@@]1(C)CCCO1	782168429	DXEIOBVLNLXUAR-APPDUMDISA-N	320.458	3.548	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1ccc(C(F)(F)F)cc1	785612687	SFQFCLHXUWIADR-UHFFFAOYSA-N	322.330	3.954	50	20	DHGD	
CCCCc1ccc(C(=O)COC(=O)/C(C#N)=C\C2CC2)cc1	786670470	RGOCXBCRPLPWLL-BOPFTXTBSA-N	311.381	3.615	50	20	DHGD	
Cc1cnc(Cl)c(NC(=O)NNc2cccc(Cl)c2)c1	787458354	IUHBHURHEFGHAB-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)C1CCC(F)(F)CC1	788699206	AIVGWEIBBXKCOK-UHFFFAOYSA-N	324.371	3.691	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1c(F)cccc1F	789995889	CDIGCNOJHFQBCA-UHFFFAOYSA-N	322.380	3.975	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1cc(F)c(F)cc1F	793712110	BNKIQZIRWJRFON-ZJUUUORDSA-N	300.324	3.763	50	20	DHGD	
Cc1cc(C(=O)NNc2nccnc2C(C)C)c(C)cc1Cl	793971603	MYWKKBLQUXAMIQ-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
C[C@H]1CN(/C(=C/C#N)c2ccc(F)cc2)Cc2ccccc2O1	795419664	ZIPQFIGBCHVVEQ-XKYMITNMSA-N	308.356	3.973	50	20	DHGD	
C[C@H](C(=O)NN(C)c1ccccc1)c1ccc(C(F)(F)F)cc1	799099741	CLCUVWPLTUTGMB-LBPRGKRZSA-N	322.330	3.977	50	20	DHGD	
C=C(CBr)CN(CCCC)Cc1ccccc1O	801595119	IJCDBGLWOUDPFL-UHFFFAOYSA-N	312.251	3.945	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCCF)c1C	803255298	KJKUPGUOBWFJBH-LFIBNONCSA-N	306.381	3.715	50	20	DHGD	
C/C(C=NNC(=O)C1CCC1)=C\c1ccccc1OC(F)F	811642373	OLHADGZMDHTPHM-FDBMWMNRSA-N	308.328	3.593	50	20	DHGD	
O=C(CCCC1CC1)NNc1ccccc1OC(F)(F)F	812552097	MWTZJOAFHJHKJF-UHFFFAOYSA-N	302.296	3.609	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2cccc(Cl)n2)c(C)s1	814276561	ZZSTWVXNRPPOQI-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
O=C(NN=CC[C@H]1CCOC1)Nc1ccc(Cl)cc1Cl	814996538	RDEMCLMSCYZESZ-VIFPVBQESA-N	316.188	3.527	50	20	DHGD	
C=CC(C)(C)C(=O)NNc1ccc(Br)cc1CC	828300805	RRSKSJOCDSQBMD-UHFFFAOYSA-N	311.223	3.667	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NNc1ccc(OC(F)F)cc1	830810518	PWGMLQXDXUHUMF-AWEZNQCLSA-N	304.312	3.650	50	20	DHGD	
CC(C)Nc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cn1	837059669	XJVOGFMHSYARGX-UHFFFAOYSA-N	312.417	3.782	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC1(C(F)(F)F)CC1	837682039	QPQNPJXQCTXWQM-SECBINFHSA-N	313.410	3.912	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)c1cccc(Cl)n1	853411009	GBOGATNZUSKQFS-UHFFFAOYSA-N	307.703	3.573	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3sccc32)C[C@H]1Br	857083364	WOIWWWPUJKGRLD-CYZMBNFOSA-N	300.265	3.889	50	20	DHGD	
COc1ccc([C@@H](C)NC[C@H](CBr)C2CC2)cc1	859225780	FBZKMUPSWLUBHB-RISCZKNCSA-N	312.251	3.767	50	20	DHGD	
C[C@@H](NC[C@H](CBr)C1CC1)c1cccc(C#N)c1	859231623	LMYXHXQPSRMMIR-ABAIWWIYSA-N	307.235	3.630	50	20	DHGD	
C[C@@]1(CNCc2c(Cl)cncc2Cl)C[C@@H]1Br	865637388	SYBMXJFJFMRZMR-QWRGUYRKSA-N	324.049	3.652	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1c(F)cc(F)cc1F	885153724	NXKHINFCADSJFS-ZCFIWIBFSA-N	314.229	3.526	50	20	DHGD	
C[C@H](O)CN(C)N=Cc1cccc(S(F)(F)(F)(F)F)c1	905478350	GKJCGBIDCRMUAO-VIFPVBQESA-N	318.311	3.991	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@]2(C)C[C@@H]2Br)CC12CCCC2	909439332	VQNOTUOEVGJIID-SGMGOOAPSA-N	314.267	3.587	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc(-c3ccccc3)oc2C)cc1	912596472	LJJKPMLKLRKNJL-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
CN(C)c1ccc(C=NNC(=O)c2ccc3ccccc3c2)s1	917547212	NLHQYURLPOOSNX-UHFFFAOYSA-N	323.421	3.731	50	20	DHGD	
CCCC(=NNC(=O)NCC(F)(F)F)c1ccc(Cl)cc1	917552806	XQVGVAKURGSHBD-UHFFFAOYSA-N	321.730	3.706	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1cnn(C(C)C)c1	923123483	NCRXKAMIFTVFGV-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccsc3)cc2)cn1	1116875194	BPVUIBZAUGKBMP-LZYBPNLTSA-N	319.389	3.938	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(C)(c3ccccc3)C2)cc1O	1333656219	ARVRJWQZKHGVFW-UHFFFAOYSA-N	308.381	3.538	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1nc(C2CC2)cs1	1347420565	ZLOBLKCEGPJWCX-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	1776045988	WFBFZMRYPKUYHG-GFCCVEGCSA-N	317.389	3.853	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2)c1	5129584	KDKNRIVUQCOTBM-UKTHLTGXSA-N	312.756	3.894	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc2ccc(C)cc2nc1Cl	7208483	SMBXQKKAMZJTBM-NTEUORMPSA-N	312.756	3.833	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCCCCc1ccccc1	13799970	YOEXFIPEEPDNEU-NBVRZTHBSA-N	322.383	3.872	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)c1	16441487	CYHVKCFTTZLJMP-NTEUORMPSA-N	302.333	3.966	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1cccc(Cl)c1	30610882	VFEKZYMIRWUGRQ-UHFFFAOYSA-N	304.777	3.642	50	20	DHGD	
O=C(Nc1ccncc1)NN(Cc1ccccc1)c1ccccc1	56498716	BJZBAPPGWIYTOR-UHFFFAOYSA-N	318.380	3.825	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1Cl	115719136	JEOMKJGGJXMJFB-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1ccccc1NNC(=O)COc1ccc2ccccc2c1	120321202	XPRRBBFGGJPZIF-UHFFFAOYSA-N	306.365	3.670	50	20	DHGD	
Cc1oc(-c2ccccc2F)nc1C(=O)NNc1ccccc1	130345407	KLJDPWWZFIQECC-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@H](N2CCCC2)CC1	175451630	RLKHVPRENODGPS-JVBNVIDGSA-N	313.420	3.640	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1c2ccccc2CC[C@@H]1C(C)C	185016531	NDIHBLYYIFADCB-DEYMUQAISA-N	312.413	3.506	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)Nc1ccc2ccccc2c1	186405477	ZXTVBWANPRMLED-UHFFFAOYSA-N	311.385	3.573	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3cccs3)on2)c1	192791572	XVGSBYNIMIAHAE-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc(F)c(Cl)c1	213905732	UVSKTGFUCLLDDG-XFFZJAGNSA-N	316.719	3.730	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)o1	255265276	ODRXDOCPTLHEJF-FJTRLSIBSA-N	306.365	3.626	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccccc2C(F)(F)F)on1	265006061	ORIXHMQDFNGMAR-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CCn1nccc1C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	278953646	WCVZBEAPZOXRGV-CNHKJKLMSA-N	324.403	3.786	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1c(Cl)cccc1Cl	492473449	NHXDMJKCTUQANV-WAYWQWQTSA-N	322.195	3.853	50	20	DHGD	
CC(=NN(C)C(=O)OC(C)(C)C)c1ccc(C(C)(C)O)cc1	495454046	NZNPJKFFSLMOFG-UHFFFAOYSA-N	306.406	3.505	50	20	DHGD	
C[C@@H](CCC(C)(C)C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	588607709	IUTBOWHWBSVLMD-JMRXEAOASA-N	300.402	3.630	50	20	DHGD	
Cc1nc(C)c2c(C)c(C=NNC(=O)CC(C)(C)C)sc2n1	728429034	PYZXNCIZBZVJJH-UHFFFAOYSA-N	318.446	3.503	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(F)F)c1C	729074648	CSBDRBPXTQLZPO-ZSOIEALJSA-N	310.344	3.620	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NNC(=O)NC1CCCC1	733255703	AGTMEMLKSFJWID-OAHLLOKOSA-N	323.481	3.646	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2c[nH]c3ccccc23)c(C)c1	743761621	LEHSLGNUYHINLX-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
O=C(NNc1cccc(F)c1)C(F)(F)c1cccc(Cl)c1	748090359	LTOCKVFKVOKGSX-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@@H]1C=CCC1	748751330	UGDKDSNQBMMCSK-LLVKDONJSA-N	309.207	3.557	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@@H]3C2)c1	756011538	APYGELHWELUJDG-MGPQQGTHSA-N	320.408	3.884	50	20	DHGD	
N#CCc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	759660331	VOZDOQPYHFWNEQ-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
Cc1nc(C(=O)NNc2ccccc2C(F)(F)F)sc1C	770144520	FUMXFWWBBMACNP-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
Cc1cccc2ncc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)n12	773173868	ZIDDYTPLUNXYKL-NTUHNPAUSA-N	323.302	3.711	50	20	DHGD	
CN(N=C1CCC[C@H]1c1ccc(Cl)c(Cl)c1)C(N)=O	776187299	MLLHFTYAWWPPME-VIFPVBQESA-N	300.189	3.627	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1ccc(Cl)nc1	776230570	ILPGQZPLSRWFTH-CYBMUJFWSA-N	317.820	3.837	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(F)c1)c1c[nH]c2ccccc12	787455413	NKLLXUIDOXEJFK-LBPRGKRZSA-N	311.360	3.944	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H](C)CCC2CC2)ccc1Cl	789203653	RRGUYONSYRRQPL-JTQLQIEISA-N	311.813	3.553	50	20	DHGD	
COc1cc(NNC(=O)CCc2cccc(C)c2)ccc1Cl	790180121	GBMYCTVNAIQQDN-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1c(F)cccc1Cl	791027016	YVTFDPZHNZJUOM-SNVBAGLBSA-N	322.771	3.570	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C(C)(C)C#N)cc1	793839439	QFGCQVWAPCEZEA-UHFFFAOYSA-N	311.360	3.692	50	20	DHGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)CC(C)(C)C)C1	799112510	SBDBYCDQUMJEDA-CQSZACIVSA-N	301.434	3.956	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)C(C)(C)CC)cc1C(=O)OC	800791890	WRSCVOJREJYZQV-FLIBITNWSA-N	303.358	3.541	50	20	DHGD	
N#Cc1ccc(Cl)c(C(=O)NNc2ccc(Cl)c(F)c2)c1	802833091	XNIFQUOYYWLWKS-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1cc(C#N)cc(Cl)n1	804532238	YPKANDMZMYDQPL-UHFFFAOYSA-N	308.813	3.656	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cncs1	809704645	DTELATPVWHTSCK-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
Cc1ccc2sc(C(=O)NNc3ncccc3F)cc2c1	811522322	IQNDKTFTJRCQOF-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1c(C)cccc1C(C)C)OCC	812769288	ZYYLXKFZCGUJQC-INIZCTEOSA-N	304.434	3.933	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccccc2Br)c1	813418963	AGCARLWYKIIRDH-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CSc1ccc(C=NNC(=O)C(C)(C)c2ccccc2)s1	814841832	KLYDMKRXUVYSHQ-UHFFFAOYSA-N	318.467	3.898	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(C(C)C)cc2)CCO1	837052415	DITRZEXRTABYIS-NVXWUHKLSA-N	304.434	3.848	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(C(C)C)cc2)o1	837053599	QHDFYBLZOOJNHU-UHFFFAOYSA-N	301.390	3.816	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCOc3ccccc32)cc1	837055838	NFTZHRVBNYZVDN-KRWDZBQOSA-N	310.397	3.819	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)Oc2ccc(C#N)cc2)cc1	837057544	DIZZGJXFWGEFDR-AWEZNQCLSA-N	323.396	3.592	50	20	DHGD	
CC(C)(C(=O)NCC(Cl)Cl)c1cccc(Cl)c1F	837645042	DOFWQDYQNBCWJD-UHFFFAOYSA-N	312.599	3.677	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccccc1F	839424353	MIXSXFHBCDXUCT-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cnc(C(C)(C)C)nc2)c1	840713306	MKUGGUXVPOIUPG-NVNXTCNLSA-N	321.380	3.573	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCC2(CC1)CC2(F)F	844407114	IIMQZPYAHIFEBE-LHHJGKSTSA-N	319.311	3.580	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)CC2(F)F	844409622	OYANJWPWFTXMAN-CPSFFCFKSA-N	319.311	3.580	50	20	DHGD	
O=C(NN=C1CCC2(CCCCC2)CC1)c1cccc(F)n1	853444147	MWSHJJRSFGHHEA-UHFFFAOYSA-N	303.381	3.831	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cc(C)n(C(C)C)c1C	855365337	IIMWZCOCTABRQP-UHFFFAOYSA-N	303.381	3.890	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(F)cc2Cl)C1	885137335	UOLLGXXIPXAORE-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)[C@@]2(C)C[C@H]2Br)C1	906227433	SFRUBFBTPKCSOJ-DRABBMOASA-N	314.267	3.587	50	20	DHGD	
Cc1cc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)ccn1	912582117	LTCXPAKINITDPU-HNNXBMFYSA-N	320.509	3.626	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)NCCCCCCC(C)C	915888449	YGHUOPSHVNMGGN-UHFFFAOYSA-N	319.449	3.546	50	20	DHGD	
CCCc1ccc(C(C)=NNC(=O)CNc2ccccc2)cc1	915919118	WNZSMQLBFVTDSP-UHFFFAOYSA-N	309.413	3.591	50	20	DHGD	
CCC(=NNC(=O)C(C)(C)C)c1cccc(Br)c1	915966202	CJKLQLBLYVKMAO-UHFFFAOYSA-N	311.223	3.726	50	20	DHGD	
CNC(=O)NN=C(C)c1ccc2c(c1)Nc1ccccc1S2	920378923	HKWAIIWPIRDQEX-UHFFFAOYSA-N	312.398	3.548	50	20	DHGD	
COc1ccccc1CN(Cc1cccs1)C(=O)CCl	1253963704	YSCGGHGQZVDHNN-UHFFFAOYSA-N	309.818	3.524	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)ccc2F)cc1C	1777433554	BJAIBGPJQPILPK-CXUHLZMHSA-N	323.323	3.931	50	20	DHGD	
O=S(=O)(Oc1ccccc1)c1ccc(CCCCl)cc1	60372442	FZFUTAOMASZNAH-UHFFFAOYSA-N	310.802	3.626	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@H]1C[C@H]1c1ccc(F)cc1	106924465	XZCUFZQVFVXFNE-HOTGVXAUSA-N	321.355	3.621	50	20	DHGD	
CCc1cccc2c(CCNC(=O)NNc3ccccc3)c[nH]c12	114965711	DICPGYBGYXFCJM-UHFFFAOYSA-N	322.412	3.599	50	20	DHGD	
Cc1cccc(C(=O)NNc2cccc(Br)c2)c1C	127202600	AXAUDCDASVCWRG-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1C#N	132608308	ZPCVDNALLCOOGY-ZDLGFXPLSA-N	316.360	3.974	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1csc(C2CC2)n1	141382786	FPXAIYBHEVOCBG-UHZMKECTSA-N	315.442	3.622	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cnc(-c2ccccc2)s1	154472575	SPJXKVPKASEYRY-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OCC2CC2)c1	159019410	FHCPBSTVVIPVIE-UHFFFAOYSA-N	310.397	3.849	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(OC(F)(F)F)c2)c1	159615860	PQRXHEAWUKLGDV-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)CC(C)C)c2C)no1	171093678	YGDUJVWMYAJKNP-CXUHLZMHSA-N	311.385	3.913	50	20	DHGD	
CS[C@@H](C(=O)NNc1cccc2cnccc12)c1ccccc1	178514399	WCVDFQAJPCTPSO-QGZVFWFLSA-N	323.421	3.782	50	20	DHGD	
N#C/C(=C\c1ccn(-c2ccccc2)n1)C(=O)c1ccc(F)cc1	179608458	ALKAIHOODMXNHT-NTCAYCPXSA-N	317.323	3.801	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCCC2)c1C	212437393	UNSNHUOQGRZBAC-QGOAFFKASA-N	313.445	3.825	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc(F)c(F)cc1F)C1CCCCC1	255117673	KCTKYELPETUGIX-GHXNOFRVSA-N	322.330	3.802	50	20	DHGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)NC2CCCCC2)s1	280667839	PAGHPTJRLMOOCP-FMIVXFBMSA-N	317.458	3.796	50	20	DHGD	
CN(NC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1	298736436	PSHSJWBXVODDTK-NWDGAFQWSA-N	300.324	3.523	50	20	DHGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)c1cccc2c1OCCO2	588394123	AWYQGDQHJODFAI-ZROIWOOFSA-N	323.323	3.695	50	20	DHGD	
Cc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)s1	732927863	YTPNZVCBVDLRRK-UHFFFAOYSA-N	307.806	3.543	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1	734977408	QQTBDBQSTLCVRM-ZDUSSCGKSA-N	310.401	3.763	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCCc2ccccc21	735694039	BCPNEMXBMFGYEL-ZDUSSCGKSA-N	302.324	3.528	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(Cl)cc1)c1ccc[nH]1	741462462	PVMLMWNOPCOCDC-CYBMUJFWSA-N	301.777	3.722	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cccc(F)c2)c(Cl)c1	741765441	BMWXIOSRKZHPMC-UHFFFAOYSA-N	305.740	3.943	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cn(C)c3ccccc23)c(C)c1	744782619	WZEDKQDFXQQGQU-UHFFFAOYSA-N	319.408	3.867	50	20	DHGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	747766567	SQMPSUFAGBRAQF-LLVKDONJSA-N	316.430	3.680	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)Cn1c(C)nc2ccccc21	748245202	XBAXZILSBYWIJI-CYBMUJFWSA-N	314.433	3.663	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)CCC(C)(C)C)c([N+](=O)[O-])c1	755517135	WPQTUTPPNWRWMF-LLVKDONJSA-N	323.393	3.509	50	20	DHGD	
CC(C)CCn1cccc1C=NNC(=O)CCc1ccccc1	755684627	IPHDSJVAVWPIEJ-UHFFFAOYSA-N	311.429	3.617	50	20	DHGD	
C[C@H](C=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1	756871258	RDDNONJRLVRYTN-GFCCVEGCSA-N	309.344	3.826	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C[C@H](C)CCC#N)cc1	765993292	LKXHPXPWLIAMLC-CQSZACIVSA-N	322.412	3.750	50	20	DHGD	
CC1(c2ccccc2)CCC(=NNC(=O)c2ccncc2)CC1	766678809	QEKDWQOTBHUVMJ-UHFFFAOYSA-N	307.397	3.699	50	20	DHGD	
CCCc1nc(C)c(C(=O)OC[C@@H](C)CBr)s1	770341003	QEYHSFAUAOXQOO-QMMMGPOBSA-N	320.252	3.592	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)c1ccccc1F	770367947	HAIHOEVBBCQQOA-ZJUUUORDSA-N	303.171	3.503	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)c1cc(F)cc(F)c1	773173481	XBRMQIBPPXZVSZ-JYOAFUTRSA-N	304.683	3.803	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1ccccc1F	775781701	SLLNOYKATWCSLS-AWEZNQCLSA-N	300.377	3.928	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(Br)cc1C	780660284	YEQCLINFWDSXHD-GXSJLCMTSA-N	313.239	3.883	50	20	DHGD	
CC[C@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)c(OC)c1	789085257	DSHMDSHCQLZGNM-GXFFZTMASA-N	311.813	3.553	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cncc(Cl)n1	789954517	LFXSWCSJYSUGGB-UHFFFAOYSA-N	324.771	3.613	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)[C@H](C)c1ccc(Cl)cc1	794444554	DHYGFSMGQJVTCD-NSHDSACASA-N	301.777	3.644	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccc(-c2ccccc2)nn1	795166413	RQSRSMUZCLAWTL-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
CSSCCNC(=O)N[C@H](c1cccs1)C1CC1	806354227	YYMQQSHUSRNPCX-NSHDSACASA-N	302.490	3.510	50	20	DHGD	
CCSc1cccc(F)c1NC(=O)NNc1ncccc1C	810328724	ZUZVMWZJZRTPBF-UHFFFAOYSA-N	320.393	3.790	50	20	DHGD	
N#C/C(=C\c1cccc(C(=O)O)c1)c1cc(C(F)(F)F)ccn1	812247052	YNPZGVNRKPHGTQ-KPKJPENVSA-N	318.254	3.863	50	20	DHGD	
C[C@@H](CCNC(=O)NNc1cccc(Cl)n1)c1ccccc1	814294512	RJVZXGHSJRJSIP-LBPRGKRZSA-N	318.808	3.555	50	20	DHGD	
O=C(NN=C1CCCCC12CCCC2)c1cccc([N+](=O)[O-])c1	814684474	VGPZHVUNLRORKP-UHFFFAOYSA-N	315.373	3.815	50	20	DHGD	
O=C(NNc1ccccc1Br)[C@H]1CC2CCC1CC2	815851132	RSXORRQPZYLOEA-MCIGGMRASA-N	323.234	3.719	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc(C(F)(F)F)s1	817012536	XBXGXJPYNSFIBI-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(OCC)cc1)c1ccccn1	817896416	WFLJKAQKYRIYOO-MRXNPFEDSA-N	313.401	3.507	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cccnc2Cl)s1	822584160	BNHMZYJJDQOENM-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2cccc(F)c2F)cc1C	830830932	DTEDVADRPARNFB-UONOGXRCSA-N	316.351	3.828	50	20	DHGD	
CCCN(N=C(C)c1cccc2c1OCO2)C(=O)OC(C)(C)C	841638497	UVHMATALGYKFNN-UHFFFAOYSA-N	320.389	3.786	50	20	DHGD	
CC(C)[C@@H](F)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378667	JKUHZTORCXXFIJ-SNVBAGLBSA-N	312.694	3.796	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)[C@@H](F)c1ccccc1	859639358	YXGPTCFYWMCELT-OLZOCXBDSA-N	315.182	3.662	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)C(C)(C)F)c(-c2ccccc2)n1	887282995	LYBFXIXXKTYMPX-UVTDQMKNSA-N	311.360	3.794	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc(Cl)c2)c(O)c1	917005655	FANLSHLWLYGMAY-UHFFFAOYSA-N	304.777	3.926	50	20	DHGD	
Cc1cc(OC(=O)CCn2ccc3ccccc32)ccc1[N+](=O)[O-]	917028924	YWUABPVBHCQALS-UHFFFAOYSA-N	324.336	3.854	50	20	DHGD	
C[C@H]1CCC[C@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	918211603	PPSDCFRANSEFPG-QWRGUYRKSA-N	315.339	3.910	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C1C[C@H]2CCC[C@H](C1)C2	1326475788	BXSDNPSOLPJMRX-KBPBESRZSA-N	309.413	3.894	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nnc(-c3ccccn3)o2)cc1	1326495670	ABYUPHBMXDXIJE-KAMYIIQDSA-N	318.336	3.594	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2cc3ccccc3s2)cc1	1332400255	MHZKRDXAODVKPL-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1	6949940	JJSDNIJFWNXODW-WJDWOHSUSA-N	306.365	3.939	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	8202471	PFZWOKHOCYEEHC-XNTDXEJSSA-N	308.312	3.574	50	20	DHGD	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(Cl)cc2)s1	25307004	DDDYAFYXFJGSFE-DHZHZOJOSA-N	302.786	3.721	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)cc1	66405812	WMSFXCKIWWZOJE-LCYFTJDESA-N	308.385	3.561	50	20	DHGD	
COc1cc2ncc(C#N)c(Cl)c2cc1CBr	95835662	KGRSZKOOFKGLOL-UHFFFAOYSA-N	311.566	3.663	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C#N)cc1	120713221	UJLGFTBOFDUMJO-GZTJUZNOSA-N	301.349	3.666	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2SCCc3sccc32)c1	158881323	FGXQYRQSUGODQR-HNNXBMFYSA-N	318.467	3.839	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@@H](C)c1cccc(F)c1	160954959	KTLLMKYDOSEGNJ-LLVKDONJSA-N	304.340	3.910	50	20	DHGD	
O=C(Cc1ccccc1Cl)NNc1ccc(Cl)c(F)c1	175412618	XFNORBYQHWTBEU-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2)ccc1[N+](=O)[O-]	180572655	DFXPJKOTQZYQFJ-ZROIWOOFSA-N	309.281	3.876	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1ccc(OC(F)F)cc1	188975298	AHGZRBDWKSCAKN-UHFFFAOYSA-N	320.339	3.536	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cc1	193692254	DZMHEYRPXGMDFH-WOJGMQOQSA-N	319.360	3.880	50	20	DHGD	
CCC[C@H](C)[C@@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	194771764	UFOYWIXEVWRVLN-MEANVHSLSA-N	312.413	3.726	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)c1nc2ccccc2n1C	213362947	GVGUSPWYMNMIGS-SSZFMOIBSA-N	313.360	3.649	50	20	DHGD	
N[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	237968412	WKKZTHPJCUWJBQ-CABCVRRESA-N	324.515	3.517	50	20	DHGD	
CSCc1ccccc1NC(=O)NCCSSC	285156791	LIBNRHRIODEIMN-UHFFFAOYSA-N	302.490	3.682	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1cc(F)c(F)c(F)c1	285635541	BAMPLGMNSMAWGT-UHFFFAOYSA-N	312.291	3.886	50	20	DHGD	
CSC[C@@H]1CCCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	292337298	GMYMXDMWVTYWAU-WJHGTXIHSA-N	317.414	3.534	50	20	DHGD	
CCCN(N=Cc1c(C)nc2ccccn12)C(=O)OC(C)(C)C	495613668	SFQJUPXEUNXOSB-UHFFFAOYSA-N	316.405	3.624	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)NCCCC)cc1Cl	727264730	ZDVAIROMEDAGKW-UVTDQMKNSA-N	318.804	3.728	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1ccc(F)c(Cl)c1	731320683	PFHKIJQZYRCZHL-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)COCc2ccccc2)CC1	737434942	WBFCUPCLSNQCCQ-UHFFFAOYSA-N	302.418	3.522	50	20	DHGD	
CN(NC(=O)NCc1ccccc1C(F)(F)F)c1ccccc1	746220175	DRNXLGNBZJMYLB-UHFFFAOYSA-N	323.318	3.556	50	20	DHGD	
Nc1ccc(C(=O)NN(Cc2ccccc2)c2ccccc2)cc1	746317754	GEOUQBIPYVZNEO-UHFFFAOYSA-N	317.392	3.620	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2coc3ccccc23)cc1	746564734	MTYNKJADPYTDQM-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1cc(F)c(F)c(F)c1	746703026	GVXNAMAXKDVWDS-LLVKDONJSA-N	320.314	3.667	50	20	DHGD	
COc1ccc(NNC(=O)CSc2ccc(C)cc2C)cc1	746886354	KHTSSKMOKROEAI-UHFFFAOYSA-N	316.426	3.547	50	20	DHGD	
C=CCCC(=NNC(=O)c1cc(-c2ccccc2)on1)C1CC1	747751428	KLFKYUVXEDESJQ-UHFFFAOYSA-N	309.369	3.804	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1ccccc1Cl	748317428	IHHQUYCLNCLHKR-AWEZNQCLSA-N	303.793	3.674	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccccc2Cl)c(O)c1	749284014	LQXFSATZKSHCMU-UHFFFAOYSA-N	304.777	3.926	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1c[nH]c2ccccc12	755486761	AJMDUEITLLKWKN-HOCLYGCPSA-N	303.365	3.687	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2c(C)cccc2C)cc1	755593990	RAAFCGNUHNEZOZ-WOJGMQOQSA-N	304.393	3.835	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(Cl)c2cccnc12	760242929	VZNKTTNBZZDWBZ-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc3c(c2)ncn3C)c1C	761201460	UVTDWYCNYMRSCD-CXUHLZMHSA-N	315.376	3.980	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3cc(F)ccc23)o1	764416049	CILMPINAUSDBFG-IZZDOVSWSA-N	324.311	3.836	50	20	DHGD	
CC1(C)CCC(C=NNC(=O)COCc2ccccc2)CC1	764690791	XQXDIBFBCKCDLZ-UHFFFAOYSA-N	302.418	3.522	50	20	DHGD	
C[C@@H]1C[C@H](CNC(=O)CCCC[C@H]2CCSS2)CCO1	770882118	OKJQMMWELQWIHO-MCIONIFRSA-N	317.520	3.632	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1C[C@@]12CCCc1ccccc12	771707435	PKHIYBZMRJLUOI-OXJNMPFZSA-N	324.399	3.871	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)NC1CCCCC1	779508552	KLORNKWXVQZPSA-UHFFFAOYSA-N	317.311	3.544	50	20	DHGD	
CC1CCC(N(C)C(=O)[C@H](Br)C(C)(C)C)CC1	781073414	JPUIIZAVONAOET-MCIGGMRASA-N	304.272	3.833	50	20	DHGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)C(=O)c1ccccc1	787169144	MQDIXVCQFOXVFZ-UKTHLTGXSA-N	311.724	3.828	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(F)cc1OC)c1ccccc1	788184798	QMQJDNDMWIVUQF-HNNXBMFYSA-N	316.376	3.861	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc(C(F)(F)F)cc1	790596630	KTFQLTQUVWQVJM-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
N#C/C(=C/c1cnc2ccccn12)C(=O)c1ccc2ncccc2c1	794965363	RCJILXVJRHTWLY-WJDWOHSUSA-N	324.343	3.672	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cncc(F)c1	799234067	HUBGXORLEGMYLC-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(O)nc(C(C)C)c1	799756472	BUNKQSMNBDSUDR-UHFFFAOYSA-N	313.401	3.538	50	20	DHGD	
C=CCN1C(=O)/C(=C/c2cccc(CCl)c2)SC1=S	799888640	IEJNROSWRKTODX-WQLSENKSSA-N	309.843	3.813	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)c1ccoc1	806557248	PIZHRIOZQOXREE-XNTDXEJSSA-N	303.321	3.564	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1sc(-c2ccccc2F)nc1C	814744634	NNXGZCSNRZBGJZ-UHFFFAOYSA-N	319.405	3.754	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccn(C(C)C)c1C	815972066	WWKGWKMKNJQSRJ-UHFFFAOYSA-N	322.412	3.991	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2ccccc2c(Cl)n1	816628382	TVEIWEBCPWQWLZ-UHFFFAOYSA-N	317.603	3.764	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](CC)CC(F)(F)F)cc1	832862575	ZUJZIIVCYPWGPU-SNVBAGLBSA-N	304.312	3.507	50	20	DHGD	
Cc1cc(Br)ccc1/C=C(/C#N)C(=O)C(C)(C)F	834446821	DDCQPFXEMLBXSI-XFFZJAGNSA-N	310.166	3.982	50	20	DHGD	
CN(CCN)C(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179977	VIDBOQNHCWICGJ-UHFFFAOYSA-N	319.299	3.766	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)c1	856810634	RCOIXJQIEXKDAZ-GXTWGEPZSA-N	311.223	3.598	50	20	DHGD	
CC(C)Cc1ccc([C@H](C)C(=O)NN[C@@H](C)C(F)(F)F)cc1	862316167	MDTCWOKLMXLOEC-RYUDHWBXSA-N	316.367	3.560	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(O)cc1Cl	865220863	RWNGHLJDSMURRW-HAAVITCDSA-N	307.777	3.966	50	20	DHGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccccc2)n1	915863953	UVYWZAXOSDJWIJ-LCYFTJDESA-N	311.410	3.986	50	20	DHGD	
CCOc1cccc2cc(C(C)=NNC(=O)C(C)(C)C)oc12	915969989	RLMMUWRRVWTFJR-UHFFFAOYSA-N	302.374	3.718	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1ccc(F)cc1	921265534	JRPWGNPZVYKMAN-GHXNOFRVSA-N	301.704	3.975	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)ccc1F	1115989257	XKOARHYHLMFWOI-LCYFTJDESA-N	304.328	3.724	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc(/C=C/C(=O)O)cc1	1777477174	FHFGPZWHYQZSAR-ZWWGVYCGSA-N	323.373	3.944	50	20	DHGD	
Cc1cc2occ(CC(=O)NNc3cccc(C#N)c3)c2cc1C	152701082	JIQDEMGGLZVHLT-UHFFFAOYSA-N	319.364	3.607	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(C(F)(F)F)ccc1F	154325285	MRGDBHVMAWIKGD-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
COc1sc(/C=C(\C#N)c2ccccn2)cc1Br	178981365	KDTXMOVXDYZZFS-RMKNXTFCSA-N	321.199	3.978	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C/c1ccccc1	181272604	OZHAQMLPXAGCDF-VAWYXSNFSA-N	303.365	3.700	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)ccc1C	194518295	APYROVWPBFQFRG-MHWRWJLKSA-N	306.365	3.858	50	20	DHGD	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	255940546	WSCVPLNFFRPIPJ-XWAFYUISSA-N	315.461	3.973	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCC[C@@H](C(F)(F)F)C1	272463075	LCQPUNRBWSIRSU-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccccc1F)C1CC1	287701691	FZJWPCYBPYTUSL-UHFFFAOYSA-N	314.451	3.511	50	20	DHGD	
CCOc1ccc(NNC(=O)CCCSC(C)(C)C)cc1	294401489	QNHGYFAGKUPJBQ-UHFFFAOYSA-N	310.463	3.840	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)N(C)c2ccccc2)s1	490725805	LBKULWOTBNJGAY-UKTHLTGXSA-N	311.410	3.836	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c2c(c1)OCCO2	726430282	XWQRCWXTYFNEJN-PQTFEYQYSA-N	305.761	3.633	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@H](C)C2	728440855	WQBHGNRPQRSTOC-GGNJANJASA-N	313.397	3.931	50	20	DHGD	
C[C@H]1CCCC1=NNC(=O)COc1ccc(Cl)cc1Cl	729141146	TXNYDVSPJWPFOG-VIFPVBQESA-N	315.200	3.664	50	20	DHGD	
O=C(NN=Cc1c(O)cccc1Cl)c1cc2ccccc2o1	755759033	UHFYTPGRNGFCKR-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(F)cc1	756889876	QEJXDZRARHCUPY-JTQLQIEISA-N	320.751	3.704	50	20	DHGD	
Cc1nc(CC(=O)NN=C[C@H](C)c2cccc(Cl)c2)cs1	763344701	CXCPJXGXGLKQDF-JTQLQIEISA-N	321.833	3.553	50	20	DHGD	
CCSc1cccc(C=NNC(=O)c2ccccc2OC)c1	769779504	LCKPRTWHWYQSDC-UHFFFAOYSA-N	314.410	3.571	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)Cc1ccccc1F	770383398	UHHNUIZLWGOCMN-MNOVXSKESA-N	317.198	3.579	50	20	DHGD	
C[C@@H](CBr)CNC1(c2ccc(F)cc2F)CCC1	770666466	LSNOYDRASQJJRY-JTQLQIEISA-N	318.205	3.965	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1ncccc1C	791224230	CXOPOBPCNCNUQK-XFXZXTDPSA-N	301.777	3.590	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCC(F)(F)C1	795339382	KNXCPSKLKNWWHR-SSDOTTSWSA-N	309.143	3.872	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2ccc(OC)cc2[nH]1	799755571	FDTSYMIBNHBVQY-UHFFFAOYSA-N	323.396	3.804	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCCN1c1ccccc1	799758017	TUZURXVXLRCVFK-GOSISDBHSA-N	323.440	3.670	50	20	DHGD	
COc1cc(Cl)c(NC(=O)NCCSSC)cc1C	808900209	KYWFGLJYYQBLJN-UHFFFAOYSA-N	320.867	3.790	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3cccc(Cl)n3)c2cc1C	817007184	PUPJWYHOEOJYTL-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)c2cccc(Cl)c2)cc1	817921113	JGSPNCWJMCBKJL-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
CC(C)CN([C@H](C)c1ccccc1Cl)S(=O)(=O)CCl	831425404	FLSNOCRCMXWMIF-LLVKDONJSA-N	324.273	3.885	50	20	DHGD	
CN(N=Cc1cc2cc(Cl)cnc2o1)C(=O)OC(C)(C)C	834945030	VLTZDJOWNUERPE-UHFFFAOYSA-N	309.753	3.682	50	20	DHGD	
O=C(/C=C\C1CCCC1)NNc1cccc(Br)c1	843830703	FMTHKENBULUNQQ-HJWRWDBZSA-N	309.207	3.639	50	20	DHGD	
Cc1nn(C)cc1CN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844349300	LBQZSWRCTBMDQS-MRXNPFEDSA-N	323.557	3.715	50	20	DHGD	
COc1cccc(C2(NC[C@H](C)CBr)CCC2)c1	852692988	FHGUJIUMLUJASL-GFCCVEGCSA-N	312.251	3.695	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1	855467630	FIDLPVGRZBFEJM-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
C[C@]1(CNC/C=C/c2ccc(F)cc2F)C[C@@H]1Br	856810532	YWFLQRTXJJGSFG-AZBIDPCXSA-N	316.189	3.741	50	20	DHGD	
CC/C=C(\C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857264894	QPVQAXSNDZEVNA-WEVVVXLNSA-N	302.296	3.513	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)CC)c1C	865947189	PQSOQRLFHFAQMU-MFVBVHDHSA-N	301.434	3.727	50	20	DHGD	
C[C@H](Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)O	904199825	MSWQGUFICCLROS-QUBYGPBYSA-N	313.728	3.791	50	20	DHGD	
CN(Cc1cc2ccccc2o1)C(=O)[C@]1(C)C[C@@H]1Br	906880535	DDPSNOLKZFSTEO-DZGCQCFKSA-N	322.202	3.565	50	20	DHGD	
Cc1ccc(NNC(=O)CCCOc2ccc(Cl)cc2)cc1	916998469	VSDSTXDZCCQAJG-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)C2CCCCC2)cc1	920378343	ZINOKHBGARCZRI-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(Cl)cc(Cl)c1O	935999923	DJDVCVWHDLQYRZ-UHFFFAOYSA-N	316.999	3.575	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccccc1Cl	1115812932	GKINGCPZDLQFKS-CZXHOFHRSA-N	302.805	3.882	50	20	DHGD	
CCN(C(=O)CCl)[C@H](C)Cc1ccc(C(F)(F)F)cc1	1118554507	VGOZSEWDAFVNHA-SNVBAGLBSA-N	307.743	3.724	50	20	DHGD	
CC[C@@H](NC(=O)C1CCC(Cl)CC1)c1nc(C)cs1	1263727525	PHXHBFVKYCMXDP-HTAVTVPLSA-N	300.855	3.816	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)c1ccc(C)c(O)c1	1331346796	RVUVFUMNVUAPRO-UHFFFAOYSA-N	302.399	3.501	50	20	DHGD	
Cc1csc(C(C)(C)NC(=O)c2cccc(CCl)c2)n1	1336350481	YFTWZFMUSRZNBA-UHFFFAOYSA-N	308.834	3.855	50	20	DHGD	
CS[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)C1	1344389811	REGDYEPRTBGSLF-NWDGAFQWSA-N	305.534	3.664	50	20	DHGD	
O=C(N[C@H](c1ccccc1)[C@@H]1CCOC1)C1CCC(Cl)CC1	1548679800	IYCKXVHHXXLYRA-MNAZLIDISA-N	321.848	3.678	50	20	DHGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776099493	KHUNCVBFNULONQ-CYBMUJFWSA-N	316.401	3.707	50	20	DHGD	
Clc1cccc([C@H](CBr)O[C@@H]2CCOC2)c1	82454959	FSITWVPEAMHKIT-NEPJUHHUSA-N	305.599	3.582	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc(Cl)c([N+](=O)[O-])c1	91985957	HXMYDCAQILXKOF-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2ccc(Cl)cc2Cl)cc1	120466657	FULXDBOKLCRDLZ-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(C(F)(F)F)nn1	123961237	ANXZMYQYOGUTGC-SNVBAGLBSA-N	318.343	3.545	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc([N+](=O)[O-])cc2Cl)c1	127636908	CTPKZEDILWOVPE-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnn(CCCl)c2)c1C	171541984	PIRZKEQBEYSDDQ-OVCLIPMQSA-N	313.788	3.529	50	20	DHGD	
CSc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)o1	175440087	HVIGTESGLFIMNB-UHFFFAOYSA-N	300.742	3.551	50	20	DHGD	
Cc1cccc(C)c1NC(=O)CN(C)/C(=C/C#N)c1ccccc1	177157524	VIQCYFAOHBFNBV-LDADJPATSA-N	319.408	3.738	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1cccc(F)n1	184042251	DEJIQYLAVLEKSN-UHFFFAOYSA-N	312.256	3.501	50	20	DHGD	
O=C(COc1ccc(F)cc1)NN=Cc1cccc2ccccc12	254442274	RUEXOXJDXXOBCD-UHFFFAOYSA-N	322.339	3.508	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@@H](c2ccccc2)C1	255344903	YWLPOZNTPPATJW-SZVPOVDMSA-N	308.356	3.764	50	20	DHGD	
N#C/C(=C/c1coc2ccccc12)C(=O)c1ccc2c(c1)OCO2	255434871	SXLSSMSTFIAKMN-QPEQYQDCSA-N	317.300	3.951	50	20	DHGD	
N#Cc1ccccc1/C=C\C(=O)NNc1ccc(Cl)c(F)c1	255550245	DSHRIIGGLQOTML-YVMONPNESA-N	315.735	3.507	50	20	DHGD	
CSSCCNC(=O)N(Cc1cccc(F)c1)C1CC1	288021374	YVBGSHDJWIBHRL-UHFFFAOYSA-N	314.451	3.511	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1scnc1C1CCCC1	293639658	HFMGXYMGPHRQTO-UHFFFAOYSA-N	322.821	3.606	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H]2C[C@@H]2c2sccc2C)cc1	294226425	FOKSWBJMNALANW-GJZGRUSLSA-N	316.426	3.702	50	20	DHGD	
CCOc1ccc(NNC(=O)c2csc(C(C)(C)C)n2)cc1	294440989	SYEXPAVRHSWZIC-UHFFFAOYSA-N	319.430	3.596	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC=C(c2ccccc2)C1	372101471	ICCHHUJESODXFA-CQSZACIVSA-N	322.246	3.722	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H](C)C#N)c(C)n1C1CCCCC1	491132213	NEEKLUWTGYXZCM-VZWMTCDZSA-N	324.428	3.545	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ncc(-c2ccccc2)s1	496459469	XGMOSWZASORMAN-UHFFFAOYSA-N	303.387	3.669	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)c(F)c1	588449867	BFPPUJYGWIPFCQ-VZUCSPMQSA-N	315.266	3.899	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)Cc1nc(C)cs1	727256656	YZLGFCKRJCZSKJ-UHFFFAOYSA-N	315.442	3.509	50	20	DHGD	
O=C(CCn1cccc1)NN(Cc1ccccc1)c1ccccc1	746016557	OBONKJMGELTALF-UHFFFAOYSA-N	319.408	3.616	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2)cc1Br	746881103	JFZCGZGOYUOFAW-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
Cc1cc(OCC(=O)NNc2ccccc2F)cc(C)c1Cl	748049170	XPAJBUNNYRSKMG-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CN(CCc1cccs1)/C(=C/C#N)c1cccc([N+](=O)[O-])c1	750057667	XAUAZTAXYCUJMQ-FRKPEAEDSA-N	313.382	3.695	50	20	DHGD	
CC1(C)CCCC[C@@H]1CC(=O)NNc1ccccc1[N+](=O)[O-]	751537029	QPMGSKPYFUSYOC-GFCCVEGCSA-N	305.378	3.644	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=Cc2cc3ccccc3s2)c1	758367657	OACYWEAXUWRRRV-UHFFFAOYSA-N	323.421	3.731	50	20	DHGD	
CC[C@H](CC(F)(F)F)NC(=O)[C@@H](Br)C(C)(C)C	768448070	PAEQJDBODAOFPZ-HTQZYQBOSA-N	318.177	3.643	50	20	DHGD	
CCC[C@@H](C=NNC(=O)Cc1csc(C)n1)c1ccccc1	769568524	IJHCONLYROTBPK-HNNXBMFYSA-N	315.442	3.680	50	20	DHGD	
CC(C)C(=O)NN=CCCCc1cccc(C(F)(F)F)c1	769778879	UIPJPNWFLRVKMF-UHFFFAOYSA-N	300.324	3.786	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc(Cl)cc1	769960033	GNDIFEFHZKVJNP-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
Cc1ccnc(-c2cccc(NC(=O)NNc3ccccc3)c2)n1	770031484	ZZCCHBGTQOGSMW-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CCCc1cnc(NC(=O)NNc2c(C)cccc2F)s1	771186219	UZLYWFUBXMXDEY-UHFFFAOYSA-N	308.382	3.692	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1F	775427589	DGTVDIHODZILMM-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCCC2)cc1)C(=O)C1CCOCC1	794953602	OJKLLEDTCMXTKG-NBVRZTHBSA-N	324.424	3.580	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)c2nc(C)cs2)c1	797406905	YEBFVILPNUBCRJ-MLPAPPSSSA-N	322.393	3.914	50	20	DHGD	
CCCC[C@@H](C)C(=O)NNc1ccccc1OC(F)(F)F	800542865	SITTVJUPQUBGOI-SNVBAGLBSA-N	304.312	3.855	50	20	DHGD	
Cc1coc(C)c1C(=O)NNc1ccnc2cc(Cl)ccc12	806358787	WXGNGMCLOCWFSR-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
Cc1ncsc1CN(C)CCO[Si](C)(C)C(C)(C)C	808724402	FOJDMMAFTRPNOQ-UHFFFAOYSA-N	300.544	3.905	50	20	DHGD	
O=C(NNc1ncncc1Cl)c1ccc(C2CCCC2)cc1	811326179	LTXGAKAOJDDRTQ-UHFFFAOYSA-N	316.792	3.545	50	20	DHGD	
CCOC(=O)c1ccc(NNC(=O)C2=CCCCCC2)cc1C	812723084	CYLIHPOEEZGROI-UHFFFAOYSA-N	316.401	3.505	50	20	DHGD	
CC[C@H](C=NNC(=O)COc1ccc(F)cc1)c1ccccc1	814749460	YPLXSYNOIXIZDB-CQSZACIVSA-N	314.360	3.500	50	20	DHGD	
CCC(=NNC(=O)c1cc2ccccc2o1)c1cccc(N)c1	814866912	KCFBFZGSDGBZQV-UHFFFAOYSA-N	307.353	3.559	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cc(C)sc2C)cc1	814998140	VBHUEVJHTBAXCV-UHFFFAOYSA-N	303.387	3.529	50	20	DHGD	
O=C(NNc1ccccc1F)C1CC(c2ccc(F)cc2)C1	815850755	BGZKFBMXSCBGPQ-UHFFFAOYSA-N	302.324	3.602	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1cccc(Cl)n1	817008673	CJJCOKAVABKMSX-UHFFFAOYSA-N	321.833	3.502	50	20	DHGD	
CCC(CC)(C(=O)NNc1ncc(F)cc1F)c1ccccc1	837206677	ODLBRDMPLOALOC-UHFFFAOYSA-N	319.355	3.561	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1cc(F)ccc1Br	840530511	BHTSHWSVXOJOAA-CMDGGOBGSA-N	315.186	3.778	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Cn2cncn2)cc1	853668691	WKRDGYMDKBSGOV-UHFFFAOYSA-N	303.482	3.848	50	20	DHGD	
Cc1cccc(NC(=O)NC[C@@]2(C)C[C@H]2Br)c1C	856812012	VWQVNJJMXQGQSC-TZMCWYRMSA-N	311.223	3.598	50	20	DHGD	
C[C@@]1(CNC(=O)c2cccc3ccsc23)C[C@@H]1Br	857395776	SZYONUDIPQSAOA-FZMZJTMJSA-N	324.243	3.805	50	20	DHGD	
C[C@@]1(CNC(=O)CCC2CCCCC2)C[C@H]1Br	857401941	BTHXHBMOUIOQNC-OCCSQVGLSA-N	302.256	3.637	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)c1cccc(N(C)C)c1	863067858	OCIDDVXKNQNRKC-UHFFFAOYSA-N	323.440	3.881	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1ccc(Cl)cc1F	885107257	AZTDKKQPBBIHAM-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3ccnn3C)n2)cc1	913617664	QUWMRVJPYSAKOU-ZROIWOOFSA-N	306.394	3.916	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@@H](C)c1ccncc1	928339414	GCMFDGUDJQBKBR-LLVKDONJSA-N	303.793	3.680	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2OC)c1C	1317705317	WTMMXZGCCFJHQN-WJDWOHSUSA-N	324.380	3.573	50	20	DHGD	
COCc1csc(CNC(=O)c2cccc(CCl)c2)c1	1339077980	RTGSPFLCKOQYGF-UHFFFAOYSA-N	309.818	3.563	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2OC2CCCCC2)CC1	1630798719	FEIAQUMDXNHYLT-UHFFFAOYSA-N	310.397	3.694	50	20	DHGD	
O=C(/C=C/c1cccs1)NNc1ccccc1C(F)(F)F	14907355	CHMRNQOXBJJPKG-BQYQJAHWSA-N	312.316	3.923	50	20	DHGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccc(F)cc2)c1	51320469	MMJHNRBXIIYZRN-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1csc(-c2ccc(C)cc2)n1	60421696	DEKRXDMFFYYDHZ-NTEUORMPSA-N	310.378	3.755	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2csc(C3CC3)n2)c1	63277542	UPCPZIBKJQHFQA-QPEQYQDCSA-N	310.378	3.819	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1c(F)cccc1F	77015034	JJHHUXFEBRMSSV-UHFFFAOYSA-N	316.760	3.756	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2cccc(Cl)c2)c1	84580587	ISHNKIOROZCILW-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C)[C@H](C)CC)cc1	112880454	AGDXOSACMYTUEY-FWEMMINBSA-N	300.402	3.543	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	114883487	BGXFSCHDAHFXSR-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ncccc1Cl)c1ccccc1	114883765	ROFQTQDAFMVKQP-CYBMUJFWSA-N	303.793	3.762	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1ccc(F)cc1F	115712516	MEPAKLGEASXUAX-GFCCVEGCSA-N	302.324	3.528	50	20	DHGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1ccc(Cl)cc1	120129530	CYLFPYOEVRLIGZ-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
COc1ccc2oc(C)c(C(=O)NNc3ccc(C)cc3)c2c1	120869231	FZOYPCKTUBWPAX-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
CC(C)N(Cc1ccc(C#N)cc1)C[C@H](C)CBr	133694276	MSQLCHAJPOJZMT-CYBMUJFWSA-N	309.251	3.800	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2c[nH]c3ccccc23)c1	150823228	YJPRFNYOTRQDBF-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Cc2cccc(F)c2)c1	158860437	SWUMXXIBFSUBFR-CQSZACIVSA-N	300.377	3.764	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1c[nH]c2c(C)cccc12	160789418	LZAHBZZGPNNABH-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ncccc1Cl)c1ccccc1	173603544	NNGJPXFKLCHIHQ-AWEZNQCLSA-N	303.793	3.618	50	20	DHGD	
N#C/C(=C/c1ccccc1C#N)C(=O)Nc1ccccc1Cl	179319903	YNJPKRUMDVUNFU-ZROIWOOFSA-N	307.740	3.757	50	20	DHGD	
CC[C@H]1C[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)CCO1	184253552	HTCUDTAQUGXYEU-ONGXEEELSA-N	317.216	3.642	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(C)cc1	184839608	JQPBRQJYVFYBDY-QGOAFFKASA-N	321.376	3.810	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)C(C)(C)C	195201347	SWJOFORXWQLWHP-XYOKQWHBSA-N	302.330	3.516	50	20	DHGD	
O=C(/C=C\SCc1ccco1)NNc1cccc(Cl)c1	255694896	OYNUTXKWASFQIJ-VURMDHGXSA-N	308.790	3.823	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)[C@H](C)CC	263649326	GJTAVIWAEMLGTO-KAQJVSAMSA-N	302.330	3.516	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(C2CCC2)cc1	278887578	IOBUWEWBQICQRY-UHFFFAOYSA-N	305.378	3.515	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	279970551	DFSOTXAGLFEDQT-DHZHZOJOSA-N	305.761	3.950	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCCC2)c1nnc2n1CCCCC2	292747940	QSLVKPHSSMSOKV-AQTBWJFISA-N	318.424	3.947	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1ccsc1	365151954	VGDWUWMGIBJTCN-IUYQLWOBSA-N	324.405	3.724	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2cc(C)nn2C)cc1	491163968	ZAGDBZXIOUKIQO-FOWTUZBSSA-N	322.412	3.617	50	20	DHGD	
CN(N=CCc1ccc(F)cc1Cl)C(=O)OC(C)(C)C	497225956	HDTNNYRVTFQFCF-UHFFFAOYSA-N	300.761	3.874	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1ccc(C2CCC2)cc1	690108308	OBLCYDTUFOEPGD-UHFFFAOYSA-N	301.839	3.715	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=CC2CCCCCC2)cc1	741843315	KNRAZKJMGNNJKX-UHFFFAOYSA-N	302.422	3.830	50	20	DHGD	
Cc1ccoc1C=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	743428969	UDGCWDJOXGXMCA-JTQLQIEISA-N	302.399	3.538	50	20	DHGD	
CC(=O)c1ccc(CC(=O)NNc2c(C)cc(C)cc2C)cc1	743762861	MLTOZMLIFPVVRY-UHFFFAOYSA-N	310.397	3.500	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2coc3ccccc23)cc1	746576743	QSFGGVBSFCNMJA-UHFFFAOYSA-N	322.368	3.654	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cn(C(C)(C)C)nc2C)c(C)c1	752632965	UXGNVNBNJDULEC-UHFFFAOYSA-N	314.433	3.629	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2cc3ccccc3s2)cc1	758375364	RUKASRJJOXJZGO-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1cc(F)cc(OC)c1	759321730	MNAROPVRCJBQAE-UHFFFAOYSA-N	320.389	3.703	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc[nH]2)c1C	760737892	IYDPXQFZOIBNEW-FMNVXAMXSA-N	324.428	3.627	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNC(=O)c1cccc2ccccc12	761458274	FVSNBIYIWIEUDE-ZDUSSCGKSA-N	312.413	3.673	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccc(O)c(Cl)c1	768774632	XYHGXZGSFJJRDS-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CCc1csc(NC(=O)NNc2c(F)cccc2Cl)n1	771160390	UUIOLFMFICKFAC-UHFFFAOYSA-N	314.773	3.647	50	20	DHGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)NNc1c(C)cccc1F	771305021	NZZMLGAWEPXKML-MRXNPFEDSA-N	313.376	3.756	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccccc1C(=O)OC	780737611	ONFAPKVZCNINLX-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
CCCCCC[C@@](C)(CC)C(=O)NNc1ncncc1Cl	781811107	ALXQHRQHGJRVSB-OAHLLOKOSA-N	312.845	3.960	50	20	DHGD	
O=C(NN=CCCc1c(Cl)cccc1Cl)c1ccccn1	790136326	GPQSNZJSBUOKBP-UHFFFAOYSA-N	322.195	3.737	50	20	DHGD	
CCNc1ccc(Cl)cc1C(=O)NNc1ccc(OC)cc1	792317749	YGTPWEWORTWHOP-UHFFFAOYSA-N	319.792	3.537	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)c1C	798345003	OJGWDVZSJRRYFE-CXUHLZMHSA-N	322.412	3.935	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCCCCC1CCOCC1	798659748	ZTWCIWVKXGORMD-JXAWBTAJSA-N	313.397	3.734	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1ccc(Cl)cc1	799101683	QVQJJLMJPKGBFE-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1ncccc1Cl	810405660	ITTDPLSAIKSAPS-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
CO[C@H]1C[C@H](NCc2ccc(OCCCCl)cc2)C1(C)C	811483980	SVVMVBXMGRRXOA-HOTGVXAUSA-N	311.853	3.597	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2cc(Cl)ccc2[nH]1	817005350	OWNWIBYVLXTZCU-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
N#CC1(CC(=O)NNc2ccc(Cl)c(F)c2)CCCCC1	830843167	UWXXZBRKABXNGK-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
CC(C)(C(=O)O)[C@H]1CCCN(/C(=C\C#N)c2ccc(F)cc2)C1	833416436	ZXVIVKZEWZJNDR-CIKBWMHTSA-N	316.376	3.513	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1ccc(C(=O)OC)c(F)c1	837055849	UOLAUVYSWRHLRF-LBPRGKRZSA-N	324.396	3.518	50	20	DHGD	
CSCc1c(C(=O)NCC(Cl)Cl)oc2ccccc12	837652160	VMJJYKVDZLQRPS-UHFFFAOYSA-N	318.225	3.829	50	20	DHGD	
CSSCCNC(=O)CCCc1ccc(SC)cc1	843591593	NIERDFHZWAYCQU-UHFFFAOYSA-N	315.529	3.859	50	20	DHGD	
CSSCCNC(=O)NCc1cccc2ccsc12	845180459	KUWNYUZTBDTDTQ-UHFFFAOYSA-N	312.485	3.712	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1F	849178265	CVAMVGUULULDCN-ZROIWOOFSA-N	315.344	3.669	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(C)c(F)c1)c1ccccn1	856227946	OCBLUIIFTQLHQF-CQSZACIVSA-N	301.365	3.556	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NC[C@@]1(C)C[C@H]1Br	857387884	NZRUQNKEMQMYQO-TZMCWYRMSA-N	314.223	3.615	50	20	DHGD	
N#C/C(=C\c1csc(C(F)(F)F)c1)C(=O)[C@@H]1CCCOC1	863189570	BSOKASYFCOHGJM-CGGZTBSLSA-N	315.316	3.670	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C=O)s2)cc1	867290830	BKJFLADBNOMWDR-UHFFFAOYSA-N	302.399	3.615	50	20	DHGD	
O=C(NN=Cc1cc(F)c(F)c(F)c1)c1ccccc1Cl	1318216539	QWJLVVZALAIOGR-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
CN(C)c1ncccc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	1322818177	APGQKWJMSHFCQQ-LCYFTJDESA-N	312.442	3.966	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)c2ncccc2C)c(Cl)c1	1347079231	DJOCZGKIEBQWNF-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccc(O)c2)c(C)c1	7159744	ISTMZJWGYWLVQT-CXUHLZMHSA-N	306.365	3.863	50	20	DHGD	
CC(C)C(=O)NNC(=O)c1cc2sc3ccccc3c2s1	16055293	UVVMGJBFWRYDPW-UHFFFAOYSA-N	318.423	3.533	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1	40868268	BRFPDHRFDYJAJU-SSZFMOIBSA-N	312.413	3.831	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)Nc1nccs1	48625174	ZUBMRESERYAEMX-OQFOIZHKSA-N	324.192	3.996	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)cc1O	57816524	WCGFRKSXFOEEPK-ZSOIEALJSA-N	319.316	3.937	50	20	DHGD	
CCOc1ccc(SCC(=O)NNc2cccc(C)c2)cc1	72595542	GIJZEQBBLRHOCJ-UHFFFAOYSA-N	316.426	3.629	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccc(Cl)s1	106924866	QNVDHTVEDYPLQU-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccccc1OC1CCC1	118515195	CRXFVYZTJAEEHK-UHFFFAOYSA-N	318.323	3.653	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1)C(=O)c1ccc(Cl)cc1F	179608661	WIEDIQMTWFMTTO-IZZDOVSWSA-N	301.704	3.975	50	20	DHGD	
N#C/C(=C\c1ccc(SC(F)F)cc1)C(=O)N1CCCC1	180428397	OCAKXOLFKYVVTC-FMIVXFBMSA-N	308.353	3.531	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2ncsc2c1	182199661	SVXGHYWLOISZSG-KPKJPENVSA-N	323.352	3.981	50	20	DHGD	
CC(C)CCC[C@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188130869	LLFAMPAONBIRCK-HNDQUVLASA-N	300.402	3.630	50	20	DHGD	
CCCC[C@H](C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	282233038	SBAQUOJGWCHHKL-VIFPVBQESA-N	317.216	3.581	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)c1ccccc1F	734990232	FCIIKKIEZPJNOS-CYBMUJFWSA-N	308.397	3.583	50	20	DHGD	
O=C(NCCCCc1ccccc1)NNc1c(F)cccc1F	735756039	NNIBQSDHJKSGAZ-UHFFFAOYSA-N	319.355	3.614	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)c1cc2ccccc2o1	749478685	HQMVNJMUOIYKGJ-CYBMUJFWSA-N	316.401	3.800	50	20	DHGD	
CCN(CCC(F)(F)F)C(=O)/C(C#N)=C/c1ccc(F)cc1	751781273	QDFFFTZJEWIBRP-FMIVXFBMSA-N	314.282	3.534	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ncccc1C(F)(F)F	753341573	XDLOWWRCOIIMPL-UHFFFAOYSA-N	303.328	3.616	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C[C@H]2C[C@H]2c2ccccc2)cc1C	755508242	MBORSGXGDRVJOJ-MJGOQNOKSA-N	322.408	3.588	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NN(C)c1ccccc1	756745395	NUONNDLUAILUGI-ZDUSSCGKSA-N	302.805	3.686	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCCC2)ccc1OCC#N	767712746	GFIQXMQKEIIWPC-LFIBNONCSA-N	324.380	3.654	50	20	DHGD	
CCCCCn1nc(C)cc1NC(=O)NNc1ccc(F)cc1	770057103	UKBAKFBQOKXCTN-UHFFFAOYSA-N	319.384	3.669	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc2cccc(F)c2o1	770386953	YCZQXMBXGBKYRV-QMMMGPOBSA-N	315.138	3.760	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2F)c(C(F)(F)F)o1	771424484	UQWOQSWJDOIXSJ-UHFFFAOYSA-N	302.227	3.503	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])cc3F)[nH]c12	777872250	OVAAZPFMSMMQKN-GHXNOFRVSA-N	322.299	3.983	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc3c(c2)CCC=C3)cc1Cl	803101733	CDAQLFMTYQOIPK-UHFFFAOYSA-N	323.783	3.928	50	20	DHGD	
CCCN(NC(=O)[C@H](C)c1cccc(F)c1)C(=O)OC(C)(C)C	804593841	VVWOXTIYFOFCBH-GFCCVEGCSA-N	324.396	3.608	50	20	DHGD	
CN(NC(=O)c1nc2ccccc2cc1Cl)c1ccccc1	809984778	ZDQVOXOLVJRTMW-UHFFFAOYSA-N	311.772	3.669	50	20	DHGD	
O=C(NNc1nccnc1Cl)c1ccc(C2CCCC2)cc1	810408175	YFUVMILZTUKTMS-UHFFFAOYSA-N	316.792	3.545	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1c[nH]c2ccccc12	814699054	FEQUTPDIZSWCSI-AWEZNQCLSA-N	308.385	3.604	50	20	DHGD	
CC(C)CCC=NNC(=O)CSc1nc2ccccc2s1	814724258	TWPUUFLJOZPMOV-UHFFFAOYSA-N	321.471	3.927	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccco1	814856955	OTCPVZMONXGLCY-UHFFFAOYSA-N	323.299	3.817	50	20	DHGD	
CC(C)[C@@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)CS1	814862694	QAYRBKOTTNQPMS-ZDUSSCGKSA-N	314.813	3.726	50	20	DHGD	
CC(C)O[C@@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	815852747	HQFURAJKXHCUNW-MRXNPFEDSA-N	320.339	3.574	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1cccc2c1CCCC2	827180062	BGBLEXXMPGQMES-LLVKDONJSA-N	314.351	3.987	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCCC(=O)C2CC2)cc1	828101238	JGEKKNMHAUGWQK-UHFFFAOYSA-N	302.418	3.577	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NCc1nc(C)c(C)s1	838502178	PUWYTJOLJWGHTC-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@@H]4C[C@H]34)cc2C1	841611333	SGWCBLRLHGWQFV-LOWVWBTDSA-N	302.443	3.779	50	20	DHGD	
CC(C)O[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	843921108	CSPZDLCAKMXUDK-ZIAGYGMSSA-N	317.520	3.726	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(COC)cs1)c1ccccc1	853305583	HIZMARRVUOLNLM-MRXNPFEDSA-N	316.426	3.538	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)c2nc(C)cs2)c1C	863180547	BWYILNDZDFZNGT-SDQBBNPISA-N	315.398	3.637	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2c(C)noc2CC)cc1	899339300	QADOTBCVTBNNJO-GXDHUFHOSA-N	309.369	3.654	50	20	DHGD	
Cc1cc(C=NNC(=O)NCC2CC2)c(C)n1C1CCCCC1	920830008	ZFABANHQGVDIEV-UHFFFAOYSA-N	316.449	3.653	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc(CC(C)C)s2)c1	935021466	CDWSZPIPAMWUNK-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1sc(C)nc1C	1115959088	LXGHVCVWAAPHPB-UHFFFAOYSA-N	307.806	3.567	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1nc(N)c2ccccc2n1	1252173071	QKELOBZVVSDQBM-WJDWOHSUSA-N	312.376	3.765	50	20	DHGD	
C[C@H](CBr)CN1CCc2ccc(Cl)cc2C1	1338204014	MSKKTCKQBKAYFK-SNVBAGLBSA-N	302.643	3.729	50	20	DHGD	
COC(=O)Nc1cccc(NC(=O)C2CCC(Cl)CC2)c1C	1352160183	UUBYUZCZTFIWFC-UHFFFAOYSA-N	324.808	3.909	50	20	DHGD	
O=C(CC1CCC1)NNC(=O)Nc1ccc(-c2ccccc2)cc1	75570134	HEHWEGWWGOQQNH-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccc2ccccc2n1	106923913	YXQLDWYURDKIMO-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1cc2ccccc2o1	106925729	LTILWPZRBYFEDC-UHFFFAOYSA-N	303.321	3.738	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@@H]1c1c(F)cccc1F	116170210	YWMSNKXZOQKDJZ-RYUDHWBXSA-N	322.742	3.865	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cnc(-c2ccccc2)nc1	120375854	WIXVUUXADFMPKM-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cn(-c2ccccc2)nc1C(C)(C)C	123322170	APFCQPSIUADLPF-SDNWHVSQSA-N	323.396	3.640	50	20	DHGD	
CC(C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)=C1CCCC1	125828405	PRZPFFSZPUZXOH-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
CC(C)(C)C[C@H](CO)NC(=O)CCCC[C@H]1CCSS1	180502943	RTIKKSDEJIMGES-OLZOCXBDSA-N	319.536	3.614	50	20	DHGD	
C[C@@H](Cc1cccs1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	182118818	BZVGLCGTKFNWNA-GVIGZQTCSA-N	314.385	3.542	50	20	DHGD	
CC[C@H]1C[C@H](C(=O)NNc2c(Cl)cccc2Cl)CCO1	184210018	FJOFPWPVWWOOEX-ZJUUUORDSA-N	317.216	3.642	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(-c2ccccc2)no1	184296835	LBBDOPGEQSKRSF-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)Nc1ccccc1	186917701	AZLUYRFNQIRZKT-UHFFFAOYSA-N	311.263	3.734	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C)c2)cc1	209782140	JNFRKVFOLZAPNP-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1cccc2ccccc12	252460042	BDIOHCDUSKXFBD-UHFFFAOYSA-N	302.377	3.923	50	20	DHGD	
N#C/C(=C/c1csc2ccccc12)C(=O)Nc1ccncc1	255032195	PHLGVGUOXMUPMM-XFXZXTDPSA-N	305.362	3.842	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1csc2c1CCCC2	265463687	OAOLLVJOYZXTSB-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
CC(C)(C)C1=CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	279768851	FTMNFZRHGIOXID-QINSGFPZSA-N	310.397	3.504	50	20	DHGD	
CCN(Cc1ccc(C)cc1)C(=O)/C(C#N)=C\c1ccc(O)cc1	491135802	UWWNZSNSAQLBKZ-PDGQHHTCSA-N	320.392	3.656	50	20	DHGD	
O=C(/C=C\c1ccc(O)cc1)NNc1ccc(Cl)cc1Cl	492593410	QFQWGECYGAXCSS-BAQGIRSFSA-N	323.179	3.856	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2nccn2CC(F)(F)F)cc1	588467681	BAQJBDAOEADEBX-JYRVWZFOSA-N	319.286	3.544	50	20	DHGD	
O=C(O)c1cc(OC(=O)C2CCCCCCC2)ccc1[N+](=O)[O-]	740086785	AJEQWJKEEBLTSR-UHFFFAOYSA-N	321.329	3.559	50	20	DHGD	
CCOCC(=O)NN=C(CC(C)(C)C)c1ccc(Cl)cc1	740761787	KQMRGGVZALIAKT-UHFFFAOYSA-N	310.825	3.633	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)[C@H](CC(C)C)c1ccccc1	740814378	SLDMCOKUDSBOML-GOSISDBHSA-N	324.424	3.586	50	20	DHGD	
CC(C)c1cccc(O[C@@H](C)C(=O)NNc2ccccc2F)c1	748057254	MJOBQUWJFFJQBS-ZDUSSCGKSA-N	316.376	3.860	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cccc(F)c2)o1	748098797	BFPAXWLUPOWTBN-ABAIWWIYSA-N	302.349	3.618	50	20	DHGD	
O=C(NN=C1CCCSc2ccc(Cl)cc21)c1ccc[nH]1	748250347	MUTBTRXPXKWPHY-UHFFFAOYSA-N	319.817	3.688	50	20	DHGD	
CCc1ccc(CCC=NNC(=O)CCc2ccccc2O)cc1	758109409	GLWDEJPIYGNWSF-UHFFFAOYSA-N	324.424	3.622	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(Cl)nc1	758300971	RADVAZUAEYOSLP-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cnc(C2CCCC2)s1	767765189	KUHLNHQBSQTERP-UHFFFAOYSA-N	313.426	3.873	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)n1	773151112	RJRRVYKQMSCIHK-VQHVLOKHSA-N	306.152	3.517	50	20	DHGD	
CC1=CCC[C@H](C)[C@H]1C=NNC(=O)Cc1c[nH]c2ccccc12	773190230	CVYMKUBJMJTUAN-YOEHRIQHSA-N	309.413	3.805	50	20	DHGD	
O=C(NNc1ccc(Br)cc1F)C1=CCCCC1	783679152	BSCAGKANPUNUSR-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
CCCN(N=C(C)c1ccc2c(c1)CCO2)C(=O)OC(C)(C)C	794996069	PRZLFFQFRVQKDX-UHFFFAOYSA-N	318.417	3.993	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccccc1OC(F)F	797317629	GSHXUULQHXUOIH-KAMYIIQDSA-N	322.355	3.891	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)c2nc3cc(F)ccc3s2)nn1	806571058	CJPCKXSLUMDVOK-BJMVGYQFSA-N	313.361	3.672	50	20	DHGD	
COc1csc(C(=O)NNc2c(C)cccc2C(C)C)c1	812767713	QSZQZYAEIAXMAT-UHFFFAOYSA-N	304.415	3.945	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@@H](c2ccccc2)C1	814843784	OKWNTAWNMPWODX-OAHLLOKOSA-N	308.381	3.749	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1OC(F)(F)F)C1CCC1	829006489	WZZKXXQMKBVTLL-UHFFFAOYSA-N	316.323	3.855	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)c2c(C)noc2C)c(Cl)c1	836937995	UOVUAFUBNRWPON-SNVBAGLBSA-N	321.808	3.890	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccc(O)c1Br	840715644	QRQUXCHGSNUXCO-YFHOEESVSA-N	308.175	3.677	50	20	DHGD	
COc1cccc([C@@H](C)NC[C@H](CBr)C2CC2)c1	859227117	YUZMTHLJGNZIEF-RISCZKNCSA-N	312.251	3.767	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(OC)c(C(C)(C)C)c1	865224052	OIUUTHUXFHEDBV-UVTDQMKNSA-N	321.442	3.682	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1F)C1CCC(F)(F)CC1	871271710	WAHVFHOVDPZFBC-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
O=C(NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1)C1CC1	921251479	NZLGCSXOGWDBQR-UHFFFAOYSA-N	316.307	3.617	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@H]2CCCC[C@H]2C)cc1Cl	1321785786	HDAINRNYAMNYRB-DOMZBBRYSA-N	310.825	3.687	50	20	DHGD	
O=C(NCc1cc(-c2ccccc2)no1)C1CCC(Cl)CC1	1527452252	SVKKCHKFNSSFEY-UHFFFAOYSA-N	318.804	3.755	50	20	DHGD	
CC(C)c1ccccc1NC(=O)NNc1cccc(C(=O)O)c1	1609720842	PNJDRBIEWVIUTD-UHFFFAOYSA-N	313.357	3.657	50	20	DHGD	
CC(C)CC[C@@H]1CCC(=NNC(=O)c2ccc(C(=O)O)cc2)C1	1776100381	DYHFANTZXRZHPJ-CYBMUJFWSA-N	316.401	3.707	50	20	DHGD	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	42629835	ZTNLZLBKMJAQJL-YVLHZVERSA-N	301.434	3.536	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2cccnc2Cl)cc1	85686454	YTZMZAGDCADOLZ-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
CC(C)(C)OC(=O)NCc1ccc(CCBr)cc1	95930292	JIILHSPIMUXCND-UHFFFAOYSA-N	314.223	3.649	50	20	DHGD	
CC[C@@H](C)N(C)CCP(=O)(c1ccccc1)c1ccccc1	104686052	IFCUEZJETRDOBE-QGZVFWFLSA-N	315.397	3.731	50	20	DHGD	
O=C(Cc1cccc(Cl)c1)NNc1ccnc2ccccc12	106924993	MAKGHLDDMRHLDL-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccc(Cl)cc1	120404317	WWYJMFAPCKUTTR-CHWSQXEVSA-N	306.818	3.957	50	20	DHGD	
CC(C)Nc1ccc(C(=O)NNc2cccc3c2CCCC3)cn1	120511918	KKESZIYLZWZLNN-UHFFFAOYSA-N	324.428	3.538	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c(Cl)cnn2C)cc1	122009201	WLHBYVARCBVUKQ-NTEUORMPSA-N	313.788	3.816	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc(OC(F)F)cc1	122703319	PEHJUUHONMNXSC-NSHDSACASA-N	312.360	3.948	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1ccc(OC(F)F)cc1	122898152	BEJSWKTYRRMXLH-SNVBAGLBSA-N	318.389	3.653	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2F)cccc1-c1ccccn1	123632048	UKHNSPIUGLMHSH-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc2cc[nH]c2c1	153615061	SPCZZUBEMXLPGD-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
C/C(=C\C(=O)NNc1ccncc1Cl)c1ccccc1Cl	176914690	SVEZNKIEOYANQR-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)cc1F	255437567	STCOUSUXOSEASH-FBJMNJBLSA-N	308.356	3.919	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(COC(C)C)cc1	269599720	XHWHSQIYNVSCIO-UHFFFAOYSA-N	316.376	3.816	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1C	727975518	ZSJZKALCYUSGJG-XNTDXEJSSA-N	319.368	3.634	50	20	DHGD	
CCCCC[C@@H](N/C=C(/C#N)C(=O)OCC)c1ccccc1	728015290	MCUQKUGXBRPHMN-YHKKIHSWSA-N	300.402	3.868	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	730464569	UCLMCCVYAIEYSD-LGMDPLHJSA-N	307.349	3.502	50	20	DHGD	
CCCCC/C(C=NNC(=O)COCC)=C\c1ccccc1	731154125	UXKKFGCWEWRJHU-FOKBBALGSA-N	302.418	3.789	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)C(C)(C)c1ccccc1	741924991	LRUOUMLMUJDPCL-HNNXBMFYSA-N	318.461	3.718	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ccc(Cl)nc2)cc1	743817206	TZEZZWLXKJKFEG-NSHDSACASA-N	303.793	3.544	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1ccc(Cl)c(F)c1	746695962	PCIPIPDAXRIEPT-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1cc(-c2ccccc2)on1	747750910	FXILLWLZCSPLAX-CQSZACIVSA-N	311.385	3.884	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cc2cc(C)c(C)cc2o1	749157481	FOXMIRSEUYQOBU-UHFFFAOYSA-N	312.291	3.842	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc4c(c3)CCN4C)[nH]c12	751523820	KVHPZVPMHFMSCG-WJDWOHSUSA-N	314.392	3.928	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]1Cc1ccccc1	752315088	PHPYZTXKOQPSSH-AHUIGUKZSA-N	319.364	3.776	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2c(C)cccc2C)c2ccccc2n1	755497070	IMNHAGMVAGFFSW-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cc(-c2ccccc2)ccc1OC	756785609	DCCAIKZSZGMJNI-AQTBWJFISA-N	318.376	3.571	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccccc1C(C)C	758159063	JPQINHABDPDWBL-UHFFFAOYSA-N	311.385	3.585	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)c1ccccc1C)C1CCC(C)CC1	763722717	HFEUHBXJQKMUGU-AVVWSFFYSA-N	316.445	3.609	50	20	DHGD	
Cc1ccc(CN(C)C(=O)[C@H](Br)C(C)(C)C)s1	767943209	KJVJZROIJGGZAD-NSHDSACASA-N	318.280	3.825	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3)n[nH]2)cc1C	780307293	HEJIBZFQMCRDNA-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
Cc1[nH]c2ccc(F)cc2c1C=NNC(=O)CCc1ccccc1	782224217	GULWKYRUGLILDO-UHFFFAOYSA-N	323.371	3.698	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCCCC1	787290632	PPMTYPCQCOKZQE-XOQYZJNISA-N	312.413	3.774	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2c(C)cc(C)cc2C)ccc1C	789996051	GLOUBGGRZDCBSG-UHFFFAOYSA-N	310.397	3.880	50	20	DHGD	
COc1ccccc1-n1nccc1/C=C(/C#N)c1nc(C)cs1	797397388	CCKJYVKHQLHOEP-LCYFTJDESA-N	322.393	3.710	50	20	DHGD	
CCCC[C@H](C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	800314267	NSJRPANPXMWBGM-VIFPVBQESA-N	317.216	3.581	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNc1ncccc1F	804212038	DLWQQUQVOFOJKJ-AWEZNQCLSA-N	307.413	3.906	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1cccc(F)n1	804771575	DMSVZUZBXZLQAN-STQMWFEESA-N	313.376	3.653	50	20	DHGD	
O=C(CCCC1CC1)NNc1ccc(Br)cc1F	812536791	OPPFSLIDYOOJGB-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cccc(Cl)n3)CCC2)c1	817009890	CUUXEYAJFHHXPS-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
C=CC[C@@H](C(=O)NNc1ccc(OCC)cc1)c1ccccc1	817908782	OACABELPKFAEMQ-GOSISDBHSA-N	310.397	3.888	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1cccc(C(F)(F)F)n1	825997898	SOGXNPYRWRMLBQ-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCCC12CCCCC2	834923068	WMTTVXXBHRNSPI-UHFFFAOYSA-N	324.428	3.863	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)Oc2ccccc2F)cc1	837056225	VMXJIVMVMJDDJZ-ZDUSSCGKSA-N	316.376	3.860	50	20	DHGD	
C[C@@H](CNC(=O)[C@H](Br)C(C)(C)C)CC(F)(F)F	840516577	FOBZGFRXSPFWSP-SFYZADRCSA-N	318.177	3.501	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@@H](C3CCC3)C2)cc1	840574820	WWYOVVIKACYZGJ-ZCWPUFOUSA-N	324.424	3.641	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccc(O)c1Br	840715306	AFKKGPLNCOBJJH-FKVCUQLRSA-N	308.175	3.677	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCC[C@H]1Cc1ccccc1	854479396	RQPCUBILMFLPPL-UONOGXRCSA-N	314.256	3.908	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	861914696	JOVBBIFTTMOKSC-NUEKZKHPSA-N	312.800	3.677	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(F)c(Cl)c2)n1	863080729	KQHYFUQSDDEGEI-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CSc1cccc(NC(=O)[C@]2(C)C[C@H]2Br)c1C	907221637	BQYNOVXBVFXWSU-DGCLKSJQSA-N	314.248	3.829	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1nc(C)sc1C	915971400	SQROISRFYIAAKC-UHFFFAOYSA-N	302.403	3.614	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)Nc1cnn(C2CCC2)c1	934301138	SYBJKHGLNZHLSH-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(C(C)(C)C)cc1)c1cccc(O)c1	935304464	WZQFQPIZBSDINB-ZDUSSCGKSA-N	312.413	3.937	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC2(C)CC2)c(C)n1CCC(C)C	1251938024	LMLCJCPPFDMBLH-BOPFTXTBSA-N	313.445	3.727	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@](O)(c2ccccc2)C1	1328957278	NEQGNRAOWRQOKE-FHTAPLDASA-N	322.383	3.674	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC[C@H](Oc2ccccc2)C1	1336003039	XJRCIKKTXLDUPC-KRWDZBQOSA-N	315.800	3.719	50	20	DHGD	
COc1ccccc1Oc1ccc(CNC=C(C#N)C#N)cc1	110587794	AOKIASZZVKHXTM-UHFFFAOYSA-N	305.337	3.508	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1F	119157269	XULQULBZXUDPNM-OLZOCXBDSA-N	320.314	3.659	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1cccc(F)c1	128588050	YFQHCYNHUYXGPD-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1	154305158	MYNQWMQYPAJGQG-AQTBWJFISA-N	321.376	3.810	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1sccc1OC(F)F	160697098	VSGRZMDWMYXFIF-UHFFFAOYSA-N	316.304	3.554	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c(OC)c1	180571171	YPJJPKDPYZPNHX-OQLLNIDSSA-N	324.336	3.985	50	20	DHGD	
O=C(NNc1ccc(OCC(F)(F)F)cc1)C1=CCCCC1	188608559	DFSMAHZFJOLVHF-UHFFFAOYSA-N	314.307	3.571	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c[nH]c2c(CC)cccc12	192098491	QVNBJMRZPFODEF-XNTDXEJSSA-N	316.426	3.810	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2ccc3ccccc3n2)cc1	192894704	HHUGNCPVCGTKBY-UHFFFAOYSA-N	320.352	3.586	50	20	DHGD	
N#C/C(=C/c1ccc(-c2cccc(Br)c2)o1)C(=O)O	211598455	PALKZOYNBTXBGO-YFHOEESVSA-N	318.126	3.701	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cc(F)c(O)c(F)c1	255774483	OXKKPCABRHJSRV-ONNFQVAWSA-N	305.305	3.830	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1ncc(Cl)c(Cl)c1=O	294245503	PPOYJHJXCOEYFA-UHFFFAOYSA-N	323.296	3.572	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(O)c(Cl)c1	490843024	NBJIVVYLLOVDPR-YRNVUSSQSA-N	316.719	3.730	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(OCCC(C)C)cc1	588555540	OEHHHTAHXJANKE-SFQUDFHCSA-N	321.442	3.801	50	20	DHGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cn1	588597601	PZXFZOHFGWQDJJ-PQMHYQBVSA-N	315.323	3.706	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc(C(F)(F)F)cc1	726873473	KBIOMQILQLBSLG-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)CNc1ccccc1F	727254629	TWUVRCVXTHTZHL-ZDUSSCGKSA-N	305.397	3.700	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNC(=O)CC(C)(C)C	734549446	VLTFUZKZWOENBW-HNNXBMFYSA-N	310.482	3.813	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1C#N	741853195	TXXDNHGRJJSUEK-GDNBJRDFSA-N	314.348	3.518	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc3c(s2)CCOC3)c(C)c1	743761769	AOHYKWBZWJMQEF-UHFFFAOYSA-N	316.426	3.503	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cccc3cccnc23)o1	747356101	MSTQHFFAJGMATR-LRDDRELGSA-N	319.364	3.715	50	20	DHGD	
Cc1cc(OC(=O)C2(Cc3ccccc3)CC2)ccc1[N+](=O)[O-]	752280411	GMGAFDCULZHQHT-UHFFFAOYSA-N	311.337	3.832	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@H]1Cc1ccccc1	752499216	FQZUPLRXTCHKKU-GTVARFKMSA-N	320.367	3.576	50	20	DHGD	
Cn1cc(Cl)cc1C(=O)NNc1cc(Cl)ccc1Cl	752813056	QDCONGJJZMVYMF-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
CCC/C=C\C(=O)NNc1ccc(Br)cc1CC	753169912	MVXCPNYOZNGWOY-SREVYHEPSA-N	311.223	3.811	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)c1	759321766	NMRSLBWFVXKILO-GJZGRUSLSA-N	306.381	3.516	50	20	DHGD	
CCc1ccc(C=NNC(=O)COc2ccc3ccccc3c2)o1	760239537	MFFBIQQHRKJYRR-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1ccc(Cl)cc1	764411956	BATYTZWOQKPVPD-NTMALXAHSA-N	318.785	3.956	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cncc(C)c1	767380329	QRKYXGVMROPHOT-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1ccc(OC(F)(F)F)cc1	773491055	BSAPYVZXDFZMCE-SECBINFHSA-N	322.352	3.560	50	20	DHGD	
COCCC1(C=NNC(=O)CCc2ccccc2)CCCCC1	780219594	PPURVBRRNFXKCF-UHFFFAOYSA-N	316.445	3.708	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C(C)(C)C2CCCCC2)c1	780796100	KPAKSVXOUOGHQJ-UHFFFAOYSA-N	318.417	3.523	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2(Cc3ccc(F)cc3)CC2)c1	783686193	RWSRLQKSGJLMJI-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc(C)c2ncccc2c1	783815978	JBGCHVZTCWZRAR-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(Br)cc1C	785612814	XMRFWGZVVGGUGC-AWEZNQCLSA-N	311.223	3.803	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](C)c1c(Cl)cccc1Cl	791217803	ZNOSMZKRMQLFGC-SNVBAGLBSA-N	324.211	3.944	50	20	DHGD	
O=C(COc1ccccc1)NNc1cc(Cl)cc(Cl)c1	791734024	PNFTVZOJALUTOO-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)C1CCOCC1	794957226	DIJRPRWBEDJUHF-JXMROGBWSA-N	315.316	3.670	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C/c3cn(C)cn3)n2)cc1	800792965	FRDOKPMLTGYDCP-NTUHNPAUSA-N	322.393	3.616	50	20	DHGD	
Cc1nc(CCC(=O)NNc2c(C)cccc2C(C)C)cs1	812765390	GZDJZODIEBDHOL-UHFFFAOYSA-N	317.458	3.959	50	20	DHGD	
CC(C)[C@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)CS1	814862693	QAYRBKOTTNQPMS-CYBMUJFWSA-N	314.813	3.726	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)Nc1cc(F)cc(F)c1	815005483	KYCLCTMPYYBWFY-UHFFFAOYSA-N	301.362	3.604	50	20	DHGD	
CC1(C(=O)NNc2cccc(Cl)c2Cl)CC(F)(F)C1	823546881	QOUFQSIVXSDXPD-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	833608600	NKUSWNNRAROHPQ-WDEREUQCSA-N	324.808	3.698	50	20	DHGD	
C=C(CBr)CN(C)Cc1ccc(OC)c(Cl)c1	839660463	HEHLEIXZPHZYHX-UHFFFAOYSA-N	318.642	3.732	50	20	DHGD	
O=C(/C=C\C1CCCC1)NNc1ccccc1OC(F)(F)F	843860112	VHCWGBBGAYAHLP-KTKRTIGZSA-N	314.307	3.775	50	20	DHGD	
C[C@@]1(CNCc2ccccc2OC(F)F)C[C@@H]1Br	856808096	USVIALOGKUDSLK-AAEUAGOBSA-N	320.177	3.551	50	20	DHGD	
C[C@]1(CN[C@@H](c2cccnc2)C2CCC2)C[C@H]1Br	857083580	YBXLDPVUOZZJCX-RBSFLKMASA-N	309.251	3.686	50	20	DHGD	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@H](CBr)C1CC1	859284954	SGONFZUTHJAMBA-MIMYLULJSA-N	314.189	3.680	50	20	DHGD	
CCC[C@H](OCC)C(=O)NNc1cccc(Cl)c1Cl	861957411	XUHTUPTUYFDKTJ-NSHDSACASA-N	305.205	3.642	50	20	DHGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)c1ccc([N+](=O)[O-])cc1	899335358	AROWIDQRXSMHBC-LZYBPNLTSA-N	308.341	3.656	50	20	DHGD	
C[C@@]1(C(=O)Nc2cccc3ccc(O)cc23)C[C@@H]1Br	907088632	XEGAWXZTGJJDTG-DZGCQCFKSA-N	320.186	3.657	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C/C=C/c3ccco3)cc2C1	920367778	QALSTFKGAZMMBK-SFVWKDPLSA-N	314.410	3.895	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)O)cc2)o1	1318363744	XHQHUUPXUZYEBO-NTEUORMPSA-N	309.321	3.777	50	20	DHGD	
N#Cc1ccc(NNC(=O)C23CCC(CC2)CC3)cc1Cl	1338951048	ZULQNLLEYPNCPH-UHFFFAOYSA-N	303.793	3.625	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(Cl)c(F)c1	1339820387	XXOYXKMKILPPCM-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
CCOc1ccc2c(c1)CN(C(=O)C1CCC(Cl)CC1)CC2	1351092495	UYRWXDXXIGPDLH-UHFFFAOYSA-N	321.848	3.768	50	20	DHGD	
CCOc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)OC)c2C)cc1	5280062	UUGDPOVBQVXODW-LFIBNONCSA-N	324.380	3.573	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1ccc(F)nc1	92930035	FTDQHLXNVJFOLR-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	122039202	FAZIQRMQQGJWKI-UITAMQMPSA-N	324.142	3.656	50	20	DHGD	
Cc1cc(Cl)ccc1C(=O)NNc1cc(F)c(F)cc1F	126170553	SLGDMHUYVMTVAZ-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CC1=C(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCCO1	126267832	PWSBPVQEBBFCLZ-UHFFFAOYSA-N	319.163	3.660	50	20	DHGD	
Cc1ccccc1C(=O)NNc1cccc(Br)c1	127197214	BSYYPIIIHLEGBT-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1cccc(Cl)c1Cl	129916117	VJXQYFAJFQTUKO-XBXARRHUSA-N	324.192	3.996	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCOCc2ccccc2)c1	159213064	DHUPUZOKCWJCTK-UHFFFAOYSA-N	312.413	3.744	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(C)c1C	171791012	VGOXJRMRGJIDNI-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
COc1csc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	177395147	KJCXQNOYOWUNGB-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CC2(O)CCCCC2)cc1	181161387	NXEKPCWXNOPOIU-UHFFFAOYSA-N	304.434	3.513	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1ccccc1Cl	181481395	FNXJWPNJAVGBEC-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1cccc(-c2cccs2)c1	184731334	GQCNJRXYIIFEQC-LLVKDONJSA-N	317.414	3.614	50	20	DHGD	
C#CCN(CCO[Si](C)(C)C(C)(C)C)C(=O)OC(C)(C)C	195897522	ISWDXDCNLRKHQM-UHFFFAOYSA-N	313.514	3.879	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)CCCC[C@@H]2CCSS2)C[C@@H](C)O1	245561299	CBUYWLOKCKWVSW-XJFOESAGSA-N	317.520	3.773	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2)s1)C(=O)N1CCCC1	255308854	UUJGRHMCJPZUNN-QINSGFPZSA-N	308.406	3.944	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)c(OC)c1	588580886	TZUDLNFRKYXNPU-ZROIWOOFSA-N	317.348	3.711	50	20	DHGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	727251704	DPQUTKOCDMDFRL-CYBMUJFWSA-N	317.389	3.917	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	728699182	RBDSBJODJVVTOR-LERPTODRSA-N	320.323	3.906	50	20	DHGD	
CCc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)s1	732927660	SHTMTOOFIUAOTQ-UHFFFAOYSA-N	321.833	3.797	50	20	DHGD	
C[C@@H](CCC1CCCCC1)NC(=O)NNc1cccc(C#N)c1	734677007	GXCTWJPQDHHABU-AWEZNQCLSA-N	314.433	3.933	50	20	DHGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)C(=O)NC(CC)CC	740763023	UHYCTGDZUKIBFM-CQSZACIVSA-N	323.481	3.534	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc3c(c2)CCC3)c1C	744834106	FXOYTSUNRSUYHC-ZDLGFXPLSA-N	320.392	3.663	50	20	DHGD	
C[C@H](CCNC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745791712	CBPKWNOIDSOETM-GFCCVEGCSA-N	318.808	3.555	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@@H](C)c1ccccc1	746368958	PXFPYBZJQJLABI-LLVKDONJSA-N	316.788	3.955	50	20	DHGD	
CCCN(CC(C)C)C(=O)/C(C#N)=C/c1ccc(OCC)cc1	751596840	QFDMKWYULQMGHW-SFQUDFHCSA-N	314.429	3.887	50	20	DHGD	
O=C(CCc1nccs1)NNc1cc(Cl)ccc1Cl	752813029	PKKDVNHXVVDIGH-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)CC3CCCC3)co2)cc1	755685689	VXKGNABJUTVFDR-UHFFFAOYSA-N	311.385	3.680	50	20	DHGD	
N#C/C=C/CSc1nccn1-c1ccc(Br)cc1	763299559	WZYGMRPHLVLZLA-OWOJBTEDSA-N	320.215	3.807	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@H]1CCc2ccccc21	768079084	QAMOEIMTJXNOHA-OCCSQVGLSA-N	324.262	3.642	50	20	DHGD	
C[C@H](CBr)CN1Cc2ccccc2C(F)(F)C1	770667364	PZNMLZUQTMFLBH-SNVBAGLBSA-N	304.178	3.625	50	20	DHGD	
COc1ccc(C(=O)NNc2c(C)cccc2F)c(Cl)c1	771706771	FHGYRCDKDNJADK-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CC3(CCC3)C2)c1C	772839579	WCJILVKEEVFZAM-CQSZACIVSA-N	300.402	3.507	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(F)ccc2C)cc1	777912311	OLYMEWSWIURREA-YVLHZVERSA-N	315.369	3.781	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)NC1CCCC1	780005581	SWMLTHPPNDRQCD-JLHYYAGUSA-N	318.804	3.704	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cccc(OC(F)F)c2)[C@H](C)C1	783844478	AEDNYVVQYBYSIZ-GHMZBOCLSA-N	310.344	3.830	50	20	DHGD	
CC(C)(C)OCCCCOC(=O)[C@@H](Br)C(C)(C)C	789089065	BVDBDRFPOAVODE-LLVKDONJSA-N	323.271	3.935	50	20	DHGD	
CCOC(=O)[C@@H](NCCSSC)c1cccc(Cl)c1	789698889	UCNMUVLOTOIFJH-LBPRGKRZSA-N	319.879	3.545	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NCCSSC	791116910	QVNGHWHLVFQHGB-UHFFFAOYSA-N	307.440	3.589	50	20	DHGD	
C=C(CBr)CN1C[C@@H](C(F)(F)F)CC[C@H]1C	791485919	DMMGHIJAGJLRMW-ZJUUUORDSA-N	300.162	3.600	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc(O)c(O)c1	794555323	CJVOCGSFYAIUCV-PJSBQUSISA-N	302.374	3.506	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)c1ccc2ncccc2c1	794881757	DFDVEDADJLYJQT-ZROIWOOFSA-N	315.357	3.958	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccc(Br)cc1	794922588	FVIGGUWNGGGTSB-UHFFFAOYSA-N	323.190	3.922	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cc1	794928495	XWXTZLGHHSTKIV-NVNXTCNLSA-N	322.320	3.974	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@@H](C)CC(C)(C)C	798311207	JHYKSVFOHFZYEC-GFCCVEGCSA-N	305.422	3.610	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](C)Cc1ccsc1	799557641	ZTMFVIKKPUPRDT-ZDUSSCGKSA-N	317.458	3.876	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2nc(C(C)C)oc2C)c(C)c1	802829158	NPQJATBPAJQZBL-UHFFFAOYSA-N	301.390	3.789	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cccc(F)c1Cl	806769187	FKZJHAYHWMWDRJ-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CSSCCNC(=O)NC1(c2cccc(Cl)c2)CC1	807225904	IEZDUNNXYQBMBI-UHFFFAOYSA-N	316.879	3.640	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Cl)c2cccnc12	808249079	XMYFHBJEQCFRJU-UHFFFAOYSA-N	317.603	3.764	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1	812239930	HMBLCPJYWPTHIH-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC2CC(C)C2)c1C	813235031	UKTUSFBGWKOHRD-YBEGLDIGSA-N	300.402	3.764	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C1CC[C@@H]1C1CC1	814790290	LQUVWSNSTGDBGZ-QGZVFWFLSA-N	308.381	3.511	50	20	DHGD	
COc1ccc(NC(=O)NN=C/C(C)=C/c2ccccc2)cc1	814998047	QUMAABCJYZMLMX-OQCPVZIJSA-N	309.369	3.906	50	20	DHGD	
N#Cc1ccc2c(c1)C(=NNC(=O)Nc1ccc(Cl)cc1)CC2	815004274	CRBBEFSHTQLLTP-UHFFFAOYSA-N	324.771	3.684	50	20	DHGD	
Cc1ccc2nc(C(=O)NNc3c(C)cccc3F)ccc2c1	816164515	ZGUGPKVADSLMEC-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c[nH]c(C(F)(F)F)c1	816570378	RYEBZOPQCYLWLB-UHFFFAOYSA-N	311.307	3.661	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1cc(Cl)nc(Cl)c1	819746857	GTLDYEDKNOJBHL-IUCAKERBSA-N	302.205	3.658	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCCO2	834448138	WWKZKVLDNRTJHE-WDZFZDKYSA-N	323.751	3.725	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)c2ccncc2)c(Cl)c1	836937574	HVVPQCOOPQCANH-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)c2cnccc2C)c(Cl)c1	838535389	VSJBNYCUTDOGES-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(C)cc1SC	841725920	CUCYFHGCINLUSX-UHFFFAOYSA-N	302.490	3.850	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ccc(-c3ccccc3)nn2)CC1	844135826	XOATWEIRDVRJEM-INIZCTEOSA-N	322.412	3.723	50	20	DHGD	
O=C(NNc1ccccc1Oc1ccccc1)C1[C@H]2CCC[C@H]12	846463138	LWAXAGPODYEUMI-GJZGRUSLSA-N	308.381	3.968	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2cc(F)cc(F)c2)CCCC1	861696313	FVERKXWEVWDNAY-UHFFFAOYSA-N	322.182	3.697	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c(ccc3ccccc32)o1	863866225	BTBDZSZNNVRMLM-UHFFFAOYSA-N	324.380	3.783	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(-n2cccn2)cc1	884219561	SLXJUPFNEOUIPN-RVDMUPIBSA-N	303.321	3.564	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cncc(OC(C)C)c1	885125547	UGLDUSQLYZHAMZ-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccco1	916335670	PNTXOOXELPNWQY-AWEZNQCLSA-N	322.364	3.741	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](c1ccccn1)C1CC1	925561046	OWTCSONGTOSQSQ-SFHVURJKSA-N	324.428	3.730	50	20	DHGD	
O=C(N[C@H]1[C@@H]2c3ccccc3CC[C@H]21)C1CCC(Cl)CC1	1123670077	ZSMBKYGTVAJXAV-CIPPXXOHSA-N	303.833	3.629	50	20	DHGD	
O=C(N[C@@H]1CCCC12CCOCC2)c1cccc(CCl)c1	1335945990	QBQRHNYINBMYIR-OAHLLOKOSA-N	307.821	3.505	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2nc(-c3ccccc3)no2)cc1	102791259	YRIZLYMVXCXYTA-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
COc1cccc2cc(C(=O)NNc3ccc(F)cc3C)oc12	119112610	MNNAXYYZPKDUSE-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3cc(F)ccc3[nH]2)c1	150801323	RRGPFQIXQORFAP-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ncccc1Cl	155232171	VRZYRDULHRTXSB-CQSZACIVSA-N	317.820	3.693	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@@H](C)c1ccc(F)cc1	160850338	QHIFUFRCFWEZTD-LLVKDONJSA-N	304.340	3.910	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccccc1Cl	172092069	LUAYEKXQEXKMSN-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc(Cl)cs1)c1ccccc1	195228398	GQDCOFSARKVKTF-YRNVUSSQSA-N	302.786	3.971	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNc1ccc(F)cc1	196086565	PBCPGKKXBZRTOO-ZDUSSCGKSA-N	324.355	3.890	50	20	DHGD	
O=C(CNc1cccc(S(F)(F)(F)(F)F)c1)N1CCC1	273808088	AFZDLOZKXKHWQX-UHFFFAOYSA-N	316.295	3.988	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1csc(C2CC2)n1)c1ccccc1	490637725	IDFYAYHJLMGAHM-UKTHLTGXSA-N	309.394	3.590	50	20	DHGD	
O=C(/C=C\c1ccc(O)cc1)NNc1cc(Cl)ccc1Cl	492608401	AMXLGFYOSKFVSM-BAQGIRSFSA-N	323.179	3.856	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1cc(F)cc(F)c1	588597282	FFGSCDYTECSIEH-UITAMQMPSA-N	320.276	3.724	50	20	DHGD	
N#C/C(=C\c1ncc(-c2ccccc2)[nH]1)C(=O)c1ccsc1	588598419	KYUAWWRMJLQVHI-RIYZIHGNSA-N	305.362	3.928	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cccc(OC(F)F)c2)cc1	728433866	PZIANTPUVZAZEX-UHFFFAOYSA-N	318.323	3.614	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1ccc(F)c(F)c1F	728714285	RREZUYVGDLALIY-NXEZZACHSA-N	300.324	3.763	50	20	DHGD	
CC(C)COc1ccc(C=NNC(=O)CC2CCCC2)cc1	730145592	GUUAHHFEZOEAGH-UHFFFAOYSA-N	302.418	3.752	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(O)c(C)c1)c1ccccc1	731932764	RCEHVQPQFPHMLU-QGZVFWFLSA-N	310.397	3.735	50	20	DHGD	
CCO[C@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccccc1	743765672	XDCNICZCWWKLLH-SFHVURJKSA-N	312.413	3.833	50	20	DHGD	
Cc1cc(OC(=O)c2ccnc3ccccc23)ccc1[N+](=O)[O-]	747624392	ZMWAHPUEPQDTLQ-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](C)C2)c1C	750776620	NMGBYIMNVXSDPV-DZBQEORWSA-N	313.445	3.680	50	20	DHGD	
C/C(=C\C(=O)NNc1cccnc1Cl)c1cccc(Cl)c1	754480563	XVFIXWYGEQNMCT-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=C[C@H]1C[C@H]2C=C[C@H]1C2	755655059	BGPXVUFJIOEUFI-ZOCIIQOWSA-N	304.393	3.697	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@@H]1C[C@H]1c1ccccc1	755697472	JIZQAGGHUNDYAR-OALUTQOASA-N	306.409	3.915	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc(-c2ccccc2)o1	755871416	FCSOGBVSLCBFSP-UHFFFAOYSA-N	319.364	3.683	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)c1ccc2ccccc2c1	761350034	MQPOXSZUZIEWFA-CYBMUJFWSA-N	312.413	3.673	50	20	DHGD	
Oc1nc([C@@H]2CC[C@H](Br)C2)nc2ccc(F)cc12	765984208	ZZKTVZACFCRPES-SFYZADRCSA-N	311.154	3.506	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1cc(F)ccc1F	766745458	DSDGXLJIHPLPEU-LLVKDONJSA-N	321.161	3.818	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccc(Cl)c(F)c2)c1F	767092713	BZYSEPQNCGZZOQ-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
CC(C)[C@H](CC(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768496718	RNPGKURLTVRQGE-HNNXBMFYSA-N	322.412	3.836	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(-c2cnco2)cc1	770351968	PDEYPYUFCMOCQV-JTQLQIEISA-N	324.174	3.529	50	20	DHGD	
CCCC(=CC(=O)NNc1nc(-c2ccccc2)no1)CCC	770749903	YHUYLJXQJNBFJR-UHFFFAOYSA-N	314.389	3.706	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2[nH]1	777870025	QWHYLGVXJICZLU-YRNVUSSQSA-N	308.272	3.674	50	20	DHGD	
C=C(C)CN(C)C(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	778121894	BGMCABXFOMSCOU-WQRHYEAKSA-N	313.445	3.847	50	20	DHGD	
N#C/C(=C\c1ccc2cnccc2c1)C(=O)NC1CCCCC1	779751610	LGFYRCQAAGBLLQ-GZTJUZNOSA-N	305.381	3.591	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccnc(C2CC2)c1	783371249	FRKGRPPYMSSEJG-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)[C@@H]1CCCc2c1cnn2C	788020834	IZULSFPWGCYYJD-OAHLLOKOSA-N	323.557	3.751	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc(C)c(C)cc1Cl	788192656	INHOCRFHFPNWSV-UHFFFAOYSA-N	322.767	3.861	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1CCc1ccccc1	790878570	LJORSQMOWVADTA-HNNXBMFYSA-N	324.515	3.804	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N(CC1CCC1)CC1CC1	794394309	UTFNCVNMCWASMG-CYBMUJFWSA-N	316.283	3.835	50	20	DHGD	
CCCN(N=C(C)c1ccc(N)cc1C)C(=O)OC(C)(C)C	794997111	OGWSUIGCUPFLJL-UHFFFAOYSA-N	305.422	3.948	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(F)c3ccccc23)cc1	795079925	GOMAJMTVPKTOFZ-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(N(C)C)c1	797400381	ZLBMSAXVRZYGFC-KGLIPLIRSA-N	301.434	3.685	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1)c1ccc(C(F)(F)F)cc1	798983042	HWXCNBMVPYAHEM-NSHDSACASA-N	308.303	3.952	50	20	DHGD	
CC(C(=O)NNC(=O)Nc1ccc(C)cc1Cl)=C1CCCC1	802050741	LGBHYILFYOEPTD-UHFFFAOYSA-N	321.808	3.692	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NNc3ccnc(F)c3)c2c1	804544023	GFDVFWGIBLPDCV-UHFFFAOYSA-N	313.332	3.847	50	20	DHGD	
CCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2C)CCCCC1	805384500	GKUVWORHSIXCHL-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CC(C)c1ccc2occ(C(=O)NNC(=O)CC(C)(C)C)c2c1	806784861	BTQXVLHDNNQBJQ-UHFFFAOYSA-N	316.401	3.753	50	20	DHGD	
COc1ccc(C(=O)NNc2c(C)cccc2C(C)C)c(O)c1	812769412	FXTYFHZMZPBYEW-UHFFFAOYSA-N	314.385	3.590	50	20	DHGD	
Cc1cncc(CCC(=O)NNc2ccc(Cl)cc2Cl)c1	815850446	MLDCNKYFMLCHDD-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1cccc2c1CCCC2	827180063	BGBLEXXMPGQMES-NSHDSACASA-N	314.351	3.987	50	20	DHGD	
CCc1onc(C)c1NC(=O)NNc1c(C)cccc1Cl	836480889	PFCDRMNQJKIWGP-UHFFFAOYSA-N	308.769	3.656	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)NOCC1CC1	838603366	HTNXFJSWCIJQGL-UHFFFAOYSA-N	324.595	3.615	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@]1(C)CCC[C@@H]1C	840544495	AIWPDLWWGLJKLT-BONVTDFDSA-N	310.829	3.523	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2ccc(O[C@@H]3CCOC3)cc2)n1	849176312	LEQIWYWZIPCXEC-FCONWMNKSA-N	312.394	3.683	50	20	DHGD	
Cc1cc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nc(C)n1	852524511	UOLJEJDPVGTWBV-MRXNPFEDSA-N	321.541	3.690	50	20	DHGD	
CCOC1CCC(=NNC(=O)Cc2ccc3ccccc3c2)CC1	853291494	IZTQVAZTUWCGBM-UHFFFAOYSA-N	324.424	3.834	50	20	DHGD	
COc1ccc(CNC[C@]2(C)C[C@@H]2Br)cc1Cl	856806520	FXEYESKHSZMTHA-STQMWFEESA-N	318.642	3.612	50	20	DHGD	
CCc1cnccc1[C@@H](C)NC[C@@H](CBr)C1CC1	859247676	XYQPKTWVEQQKME-BXUZGUMPSA-N	311.267	3.716	50	20	DHGD	
CC(C)OCc1ccc(C(=O)NNc2ccc(F)cc2F)cc1	916552345	SXRKGHCQMFONTF-UHFFFAOYSA-N	320.339	3.647	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(OC)c(F)c2)cc1	917572674	OWQWYMOZKBJZIR-UHFFFAOYSA-N	314.360	3.551	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2sccc2C)c1	1116270992	XXKPGILJUXEFPT-NTEUORMPSA-N	311.362	3.633	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(SC(F)(F)F)cc1	1337561752	DRVFIVDJVAKUQG-HJWRWDBZSA-N	316.304	3.681	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1nc(-c2ccc(C)s2)cs1	7067238	LWMHEODNYIGCPD-JXMROGBWSA-N	319.411	3.563	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OC(C)C)cc1OCC(C)C	43080298	VSGBMBNBWFOURY-NVNXTCNLSA-N	317.385	3.589	50	20	DHGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cn1	44024207	MDYUIJDLYYJNKF-RIYZIHGNSA-N	318.380	3.909	50	20	DHGD	
O=C(CCc1ccccc1Cl)NNc1ccc(F)cc1F	66326086	CMCBTEHHIBTQQQ-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3ccc(Cl)cc3)CC2)c1	72514030	LUCQCOYRENQPSB-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	97513327	WJTMTZFGBPHLNX-NTEUORMPSA-N	314.385	3.987	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(OC(F)F)c(F)c1	120093507	ZHHKXFPJTZKZBI-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2ccc(OC(F)F)cc2)c1	123040200	XJEPCDPNXQGVDG-UHFFFAOYSA-N	320.339	3.591	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(-c3ccccc3)on2)c1	127163034	DYIZXFIYHYVYBZ-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2cccc(Br)c2)C1	152115819	ODHJAIQJMFHVQG-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2cccc(F)c2o1	161042254	XEUKNPWMUUXNGD-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2F)c1C	170869579	XNMVJLKSDFQQCQ-XNTDXEJSSA-N	311.360	3.810	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)c1	176754500	PMXQHJOGULJWPY-ZWKOTPCHSA-N	317.392	3.790	50	20	DHGD	
C[C@H]1CCC[C@H](OCCCCCC(=O)NNc2ccncc2)C1	180445401	ZCZROJVFMCVSDQ-RDJZCZTQSA-N	319.449	3.680	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc([N+](=O)[O-])c2)cc1	181135674	QJIWDHBRUGMLJI-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2sccc2Cl)cc1	195228510	HYRJEIFLDKKCLI-JYRVWZFOSA-N	316.813	3.933	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	215051934	VEMWFPOLEGQFOM-XFXZXTDPSA-N	314.385	3.986	50	20	DHGD	
C[C@@H]1C[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)CCO1	271920584	UKZQJMLLRNGEOH-CVEARBPZSA-N	310.397	3.671	50	20	DHGD	
CCCNc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491007691	GMHNIMVKNRWIEC-NTCAYCPXSA-N	321.380	3.760	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCc2ccccc2[C@@H]1CO	616679677	XUWLVSXNYUCFAK-KRWDZBQOSA-N	321.537	3.600	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)[C@H](C)Oc1cccc(C)c1C	727777385	NSJUABGXUUSTHZ-CJNGLKHVSA-N	302.418	3.775	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)CC(C)C)cc1C	727864638	RAZPJJDILGDTJE-GFCCVEGCSA-N	321.490	3.693	50	20	DHGD	
COc1ccc2oc(C(C)=NNC(=O)OC(C)(C)C)c(C)c2c1	729141361	YRDBTFMWQTZGCW-UHFFFAOYSA-N	318.373	3.999	50	20	DHGD	
COCC(CC(C)C)=NNC(=O)c1cc2c(s1)CCCCC2	730726942	IJKFRVMYEYNYRH-UHFFFAOYSA-N	322.474	3.795	50	20	DHGD	
CCOCCN(CC)C(=O)CCCC[C@H]1CCSS1	730784152	GGJRMTCPAMRZAD-ZDUSSCGKSA-N	305.509	3.586	50	20	DHGD	
CCCC[C@H](CC)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)OC)c1	732652894	VEKYXZDNSYLWMN-NSHDSACASA-N	323.345	3.503	50	20	DHGD	
C#CCOc1ccc(C(C)=NNC(=O)Nc2ccccc2C)cc1	733203753	YWWRRQQEIKQDDE-UHFFFAOYSA-N	321.380	3.553	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ncc(C(C)C)o2)cc1	733396146	UGONCPQNQXWDAH-OVCLIPMQSA-N	310.353	3.757	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1ccc[nH]1)c1ccc(F)cc1	734297046	RJOMSNWAJCQGNN-UHFFFAOYSA-N	301.365	3.724	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3c[nH]nc3C)s2)cc1	735411730	RRCOLTYVCDIFDM-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ccc(OC(F)F)cc2)n1	748661032	USAWNKFDKGKGFP-UHFFFAOYSA-N	321.327	3.563	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@H](C)C2CCCC2)c(Cl)c1	750305269	BSSMVNCTKXTQDU-LLVKDONJSA-N	323.824	3.627	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2nccc3sccc23)n1	762538630	FISIVGRXRHOAJI-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)c2c(F)cccc2F)ccc1[N+](=O)[O-]	764158157	CTOPEKVZBFWPAK-JTQLQIEISA-N	321.279	3.891	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC(c2nc3ccccc3[nH]2)C1	766941828	NMUVXORJPRPQDA-NVMNQCDNSA-N	318.355	3.666	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3nc4ccccc4[nH]3)c2cc1C	771739910	VCJNQSXGMQKGRD-UHFFFAOYSA-N	320.352	3.683	50	20	DHGD	
CC[C@H](C(=O)NN=CCCc1cnccc1C)c1ccccc1	776728989	GOMDSXHHSUKXSK-SFHVURJKSA-N	309.413	3.618	50	20	DHGD	
O=S(=O)(CCCCCl)Oc1ccc(C2CCC2)cc1	780849447	ZFAWIEKQWHTMKJ-UHFFFAOYSA-N	302.823	3.682	50	20	DHGD	
Cc1cc(COC(=O)[C@H](Br)C(C)(C)C)ccc1C#N	784734042	YCNAWYLDOYBJGM-ZDUSSCGKSA-N	324.218	3.720	50	20	DHGD	
CSCC[C@@H](C)NC(=O)NNc1cc(Cl)cc(Cl)c1	790378013	SPAONFKVNALBOC-MRVPVSSYSA-N	322.261	3.761	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](c2ccc(C)cc2C)C1	790878807	LAFKMWGMTVLSPZ-CQSZACIVSA-N	324.515	3.814	50	20	DHGD	
CC1(C)COc2c(C(=O)NNc3ccc(Cl)cc3)cccc21	790901153	JUTXKRUPNUXFTC-UHFFFAOYSA-N	316.788	3.767	50	20	DHGD	
CSSCCNC(=O)c1ccc(Oc2cccnc2)cc1	791094969	KDZSLNWXRZTYSD-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
CSCc1cccc(NC(=O)NCCSSC)c1	794178517	JROQWMWZWNTPOA-UHFFFAOYSA-N	302.490	3.682	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc2ccccc2n1)c1cccnc1	797973575	HFJUQPIFRIXDPE-SFHVURJKSA-N	320.396	3.513	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cn(C)c2ccccc12	799756344	ZNTQDCPNLHFXHR-UHFFFAOYSA-N	321.424	3.735	50	20	DHGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1ccc(Cl)nc1	811638781	AAOPKNOCHKIZNW-UHFFFAOYSA-N	305.809	3.955	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCC[C@@H]1CCOC1	816437997	UWFCGAKJQPFNBN-QWHCGFSZSA-N	304.477	3.670	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnn2C2CCCC2)c(Cl)c1	836937890	QCZDATDGSIEICA-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
O=C(CCC1CCC1)NNc1cc(F)ccc1Br	839878586	CYADUFRPQBWSAT-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CCO[C@@H](CC)C(=O)NNc1ccccc1Cc1ccccc1	846463494	DPVOFUHAUHDZEV-SFHVURJKSA-N	312.413	3.536	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(F)cc1F	851894037	ZTDSWCVXLZCENP-HJIKLVIJSA-N	304.178	3.789	50	20	DHGD	
CC(C)C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccccn1	851921514	TZWRPMKBNHQSJP-SOUVJXGZSA-N	311.267	3.932	50	20	DHGD	
Cc1cc(CN(C)CCO[Si](C)(C)C(C)(C)C)nc(C)n1	852207808	BDLHRIHTYUOCGZ-UHFFFAOYSA-N	309.530	3.547	50	20	DHGD	
C[C@@H](c1cnccn1)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852525231	WFXAWIXEAIPWMN-KBPBESRZSA-N	307.514	3.634	50	20	DHGD	
C=C(CBr)CN1CCC2(CCSCC2)CC1	879201095	XCONTKOOEGSQMH-UHFFFAOYSA-N	304.297	3.547	50	20	DHGD	
C#CCCCC(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	901324638	WVEUDMKMBMLTEY-UHFFFAOYSA-N	316.710	3.612	50	20	DHGD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@]1(C)C[C@@H]1Br	906710910	QSCGKCTXKUBGKA-AOLWHUPESA-N	322.246	3.565	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1c[nH]c2ccccc12	916288169	YULVWTJRLLBBIH-COMQUAJESA-N	307.397	3.710	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C[C@@H]2CC=CCC2)c1C	916336465	GFLSUDIKDMYADT-HZPDHXFCSA-N	300.402	3.529	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(Cl)c2)c(C)n1CC1CC1	1318494005	JLCSEUDOADWWCC-UHFFFAOYSA-N	317.820	3.925	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1ccccc1SC	1321668548	KEQNFTYKSQDQJN-UHFFFAOYSA-N	314.410	3.571	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNc1ccc(C(=O)O)cc1F	1605255003	LCZACGDTVNVCNJ-KRWDZBQOSA-N	324.396	3.964	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(F)c1)C(=O)Nc1ccccc1F	7745358	WKTHUZRHJVOETK-YRNVUSSQSA-N	302.255	3.650	50	20	DHGD	
Cc1cccc(C(=O)NNc2cc(F)c(F)cc2F)c1Cl	123672718	RWUYOQBNRBLGOT-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
O=C(CCc1ccccc1)NNc1cccc(Br)c1	127191545	YVVDCYQNQYLJSL-UHFFFAOYSA-N	319.202	3.525	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2cccc(F)c2)cc1	154821024	YSRYQOAQCACVHO-LBPRGKRZSA-N	302.349	3.760	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2cc(F)ccc2F)c1	159021307	KDZSDJDVUWNLJQ-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2cccc(F)c2F)c1	159291295	ASJJQRQWXLCOAB-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1	159304009	JSQZORGTLZVNAP-SEYXRHQNSA-N	318.804	3.669	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)/C=C/c2ccc(Cl)nc2)c1	179487296	NGWLUUVAVWYUCW-GQCTYLIASA-N	301.777	3.508	50	20	DHGD	
CNC(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	254991102	AOQQPZXCIMOCME-FLIBITNWSA-N	302.786	3.721	50	20	DHGD	
Cc1cncc(/C=C\C(=O)NNc2c(C)cccc2C(C)C)c1	493826945	RXJJKZGRGZTSGN-HJWRWDBZSA-N	309.413	3.978	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1nccc2sccc12	734249997	MBVDKWLFRVWYJZ-VXGBXAGGSA-N	303.431	3.956	50	20	DHGD	
CCCCC[C@H](NC(=O)NNC(=O)c1ccccc1)C(C)(C)C	734522808	YEVXIJGAAYXFSM-HNNXBMFYSA-N	319.449	3.626	50	20	DHGD	
C=CC[C@H](NC(=O)NNc1ccccc1Cl)c1ccncc1	734678280	FKIOSPZUNVBIPE-AWEZNQCLSA-N	316.792	3.679	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cc(C)oc1C	741765368	XZNROQVQTQCUSP-UHFFFAOYSA-N	314.389	3.508	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@H](C)CCc1ccccc1	749157525	GFUAYJYGLRGHLA-MRXNPFEDSA-N	324.424	3.609	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1nn(CC)c2ccccc12	769730564	ZXWQLONRXARFOM-SQFISAMPSA-N	324.428	3.660	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cc(F)cc(C(F)(F)F)c1	772831013	QZGSJDPSLRIZQZ-UHFFFAOYSA-N	306.259	3.703	50	20	DHGD	
CC1=CCC[C@H](C)[C@@H]1C=NNC(=O)Cc1c[nH]c2ccccc12	773190227	CVYMKUBJMJTUAN-WMLDXEAASA-N	309.413	3.805	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1(F)CCCC1	773555289	BEMKGMLZNCMXHP-UHFFFAOYSA-N	309.143	3.858	50	20	DHGD	
COC(=O)NN=C1CCC[C@@H]1c1ccc(C(F)(F)F)cc1	776757876	BORUTXAMLRQFKS-LLVKDONJSA-N	300.280	3.685	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3scnc3C3CC3)nc12	782341446	JWDXEXPCQJTHRP-WDZFZDKYSA-N	307.382	3.664	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1Cl	783710761	NKYWHKHIYQRESO-QVASGMJFSA-N	305.761	3.950	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)c3nc4ccccc4n3C)cn2c1	789131439	XYOSVXJPZGDYGB-ZROIWOOFSA-N	313.364	3.594	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790585263	GKYBTWGMIMFXFR-NSHDSACASA-N	323.368	3.784	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNC(=S)Nc1ccccc1C(C)C	792489754	DPOVWYZMJMVDOU-OUKQBFOZSA-N	319.474	3.874	50	20	DHGD	
C=C(CBr)COC(=O)Cc1ccc2ccccc2c1	795390438	HIMHRKJJOHQTQF-UHFFFAOYSA-N	319.198	3.877	50	20	DHGD	
N#Cc1ccc(CNCc2ccc(OCCCCl)cc2)cc1	811474393	HSKDBKIWMKTKDI-UHFFFAOYSA-N	314.816	3.856	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(CC#N)cc1	812767738	RXWQTWHBUDJTJS-UHFFFAOYSA-N	307.397	3.941	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cnn(CC(F)F)c2)c1C	814181911	BFVKGXSKAYENIV-MKMNVTDBSA-N	315.323	3.555	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1cccc(Cl)n1)c1ccccc1	814270685	BYTIYGOKEGPTSC-HNNXBMFYSA-N	318.808	3.758	50	20	DHGD	
Cc1sccc1C=NNC(=O)CSc1ccc(Cl)cc1	814732117	YNWGZCQMEJBZKB-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
O=C(NN=Cc1cccc2cc[nH]c12)Nc1cc(F)cc(F)c1	815005093	HJSZVIVDIKGGCU-UHFFFAOYSA-N	314.295	3.602	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2c(C)cccc2C(C)C)nc1	827896064	GCLZRZZVQAUVEJ-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2ccccc2OC(F)(F)F)CC1	836783160	SGQAHPYVZMRWQI-SNVBAGLBSA-N	314.307	3.775	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(OC(F)F)cn2)cc1	837057287	FFGSGSSKXJTQRP-UHFFFAOYSA-N	321.327	3.563	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)OC[C@@H](C)CBr	838115613	BMHPNAHLIAIBCG-YUMQZZPRSA-N	305.134	3.539	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(Cc1ccc(C)cc1C)CC(C)C	843955884	HXBIIQHPJUOSFQ-QGOAFFKASA-N	314.429	3.732	50	20	DHGD	
Cc1cccc2[nH]c(CNC[C@@]3(C)C[C@H]3Br)cc12	856809836	QVFOLFYHEUTXCI-HUUCEWRRSA-N	307.235	3.739	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2NC2CCCCC2)n1	862520240	NKIAFAROUQVDDA-UHFFFAOYSA-N	324.428	3.892	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081528	NDFOXEKYRBXBSF-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)/C=C/c1ccccc1C#N	899894516	JQFUCPWHCYKNAP-BQYQJAHWSA-N	322.320	3.702	50	20	DHGD	
CCO[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	905451148	XMSSWLDWUCAMLH-GFCCVEGCSA-N	312.772	3.544	50	20	DHGD	
CSSCCNC(=O)c1[nH]c2ccc(C)cc2c1Cl	1322140765	BXISWXIBKAQNNQ-UHFFFAOYSA-N	314.863	3.871	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)cc1	1323205997	PEDHCYCDJVPYRB-UDWIEESQSA-N	316.404	3.707	50	20	DHGD	
CN(c1ccccc1)S(=O)(=O)c1ccc(CCCCl)cc1	20191084	OISFOBVQRHCVEW-UHFFFAOYSA-N	323.845	3.683	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2cccc(Cl)c2)c1	30609971	AUEYDSDTIWAYKK-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc(C(F)(F)F)nc1	30615579	HRMHNMWXXJLBIN-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ccc(F)c(F)c1	60776007	XFLPSZFSZOFIRP-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1	83522814	AKUHWJOEMBNWHJ-FLIBITNWSA-N	317.439	3.695	50	20	DHGD	
CC[C@@H]1CCc2c(sc3nc(C(Cl)Cl)[nH]c(=O)c23)C1	122301781	FCXVAXGDQLDBKP-ZCFIWIBFSA-N	317.241	3.976	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1	124477611	NVTJJEAZTQVZDA-QWHCGFSZSA-N	304.752	3.726	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2nc(Cl)ccc2Cl)c1	126695613	MHIVYSLJLKNDLW-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)Cc2cccc(F)c2)c1	150831554	SUQDYWRRKGGCBB-GFCCVEGCSA-N	304.340	3.595	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2ccccc2Cl)cc1	158261079	RKYQIRGTXMXMOG-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
Cc1ccc2cccc(C(=O)NNc3ccc(F)cc3C)c2n1	161035048	MPJCJVIADOECBV-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnn(Cc2ccccc2)c1	172692604	NSNOKCAZTILRLZ-ZNBBLSJYSA-N	307.397	3.844	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc2ncccc2c1	178491054	AQKHBCXTCWJJCY-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1c1cc2ccccc2[nH]1	178965452	JMCVHCRBSONCAA-DUVHGLKDSA-N	323.396	3.665	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccc(F)c1F)c1ccccc1	209921305	WCXXEZORBZYORB-XBUHWIKASA-N	312.319	3.749	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)NCC(C)C)c2ccccc12	255565327	DQYYKYZJEBFYHD-GDNBJRDFSA-N	308.381	3.528	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1)C(=O)c1ccccc1OC(F)F	588384578	IRUGYVHXMRDCEV-WQLSENKSSA-N	315.275	3.783	50	20	DHGD	
CCSc1cccc(/C=C(/C#N)C(=O)NC2CCCC2)c1	588488770	XIBVFAWOFHPKCB-UVTDQMKNSA-N	300.427	3.764	50	20	DHGD	
C[C@H](CC(=O)NN=c1cc[nH]c2ccccc12)C1CCCCC1	730288490	IPFCGKVHLRUGEY-CQSZACIVSA-N	311.429	3.706	50	20	DHGD	
CCCCC[C@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746741963	GUWRZHGXXUHSIO-VIFPVBQESA-N	303.328	3.699	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)c1ccc2ccccc2n1	755462868	DWFHOLUXMOESNM-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCCc1cccs1	766750281	HBNBCSNFBKBVBU-JTQLQIEISA-N	305.237	3.643	50	20	DHGD	
C#C[C@H](CC)OC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	768048844	LRAGJKFCSHYNLW-XUDLPTGHSA-N	312.413	3.767	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1ccc(F)cc1Cl	770079285	DQZNQLJTAIZIDM-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
C[C@H](CBr)CN[C@H](C)c1ccccc1OC(F)F	770665019	BGTDJHHWFSVLLR-NXEZZACHSA-N	322.193	3.970	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cscc1Cl)c1ccccc1	771840375	ZPSXVGXYCHWEKG-XFFZJAGNSA-N	302.786	3.971	50	20	DHGD	
N#CSCCCNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	773594623	XFISDNUIADDOLS-DLBZAZTESA-N	310.422	3.664	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@H]1CCc2c(Cl)cccc21	776230660	KVPZAADYLILNAS-NSHDSACASA-N	322.195	3.562	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(F)c(Cl)c2)cn1	780154131	XTIQPMISJZDJTG-SDQBBNPISA-N	316.719	3.673	50	20	DHGD	
C#CCCCCCC(=O)NNc1ccc(Br)c(C)c1	780518513	MNRFMLWBXNZEOL-UHFFFAOYSA-N	323.234	3.784	50	20	DHGD	
O=C(NN=C1CCC12CCC2)c1ccc(Br)s1	799871811	FXMYSEAMSMVNMS-UHFFFAOYSA-N	313.220	3.561	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)c(F)c1)c1ccsc1	802383178	KMRHAYWEXANGNU-SSDOTTSWSA-N	315.320	3.553	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1C#N)C(=O)c1c[nH]c2ccccc12	811686063	LWMYQKFXXQISRR-MDWZMJQESA-N	315.307	3.969	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2cc(Cl)c(F)cc2Cl)c1	815850753	BGGFGIPMGJNQTL-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2c([nH]1)CCCC2	827895373	SPIWENLPDKULRN-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cccnc2F)cc1	832070919	FOGXFYHMSQYFKO-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
COC(=O)c1ccc(NNC(=O)[C@@H](C)CCC(C)(C)C)cc1F	837059515	VJVLWOFDNSBVBH-NSHDSACASA-N	324.396	3.518	50	20	DHGD	
CS[C@H]1CC[C@@H](NC(=O)NNc2c(C)cccc2Cl)C1	838495335	OTDZFLAZBVFMOC-MNOVXSKESA-N	313.854	3.559	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(C#N)c2)cc1	839788567	LDCVOSCYAUKANS-RBUKOAKNSA-N	319.408	3.928	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C1CCC2(CC1)CC2	854676780	BQSSGVRMVDEUSO-UHFFFAOYSA-N	313.323	3.514	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1CC2(CC2)C1	855017937	OHQAMHCSIQXBGP-UHFFFAOYSA-N	318.726	3.992	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1sc(C(C)(C)C)nc1C	915111787	OHUICWSCULOQQX-UHFFFAOYSA-N	307.463	3.779	50	20	DHGD	
CCCCCCC[C@@H](C)CNC(=O)NNC(=O)C1CCCC1	918136601	PWAYAPYVHGDDMO-CQSZACIVSA-N	311.470	3.504	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1ccc2ccccc2c1	920375940	JHKTZNCBTVPALI-UHFFFAOYSA-N	318.376	3.541	50	20	DHGD	
N#Cc1ccc(CN(C(=O)C2CCC(Cl)CC2)C2CC2)cc1	1123656031	LBOKMQIBKZSOPW-UHFFFAOYSA-N	316.832	3.847	50	20	DHGD	
COc1cc(F)c(NC(=O)C2CCC(Cl)CC2)cc1F	1123663424	SXZSPOBXOJINKJ-UHFFFAOYSA-N	303.736	3.710	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1ccc(Cl)c(F)c1	1327715945	FBUNMXVGYBSFKE-QMMMGPOBSA-N	322.858	3.851	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(O)cc1	6430489	IHBQNKPMULVOPJ-GXDHUFHOSA-N	302.333	3.972	50	20	DHGD	
N#C/C(=C\c1c(F)cccc1Cl)C(=O)NCc1ccccc1	7156830	NNWPVTXQNVHXSY-UKTHLTGXSA-N	314.747	3.702	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC#Cc1ccccc1	42062154	WRJZLEQTILPREB-INIZCTEOSA-N	319.495	3.868	50	20	DHGD	
CC[C@@H](NNC(=O)c1ccc(Cl)cc1OC)c1ccccc1	112518981	QXUMTKLREOQMKF-OAHLLOKOSA-N	318.804	3.734	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)c(C)c1	122902090	DIFDGXPILYMFGU-NSHDSACASA-N	314.433	3.589	50	20	DHGD	
C[C@H](CBr)CN[C@H](C)c1ccc(OC(F)F)cc1	152772901	YJXYTACPVNEVSJ-NXEZZACHSA-N	322.193	3.970	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCCC[C@H]1C(F)(F)F	156540825	XEHKMEFTVKZEOP-DTWKUNHWSA-N	322.277	3.777	50	20	DHGD	
CCS[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	183446056	QRLNXQAQRMSSSZ-WLDSXTBVSA-N	318.417	3.523	50	20	DHGD	
CCOc1cc(/C=C(\C#N)c2cnc3ccccc3n2)ccc1O	191356641	IRWJIVDNBFNNHS-NTEUORMPSA-N	317.348	3.798	50	20	DHGD	
Cn1nccc1/C=C(\C#N)C(=O)c1c(Cl)cccc1Cl	193347240	DBVVZRLVGVQHOB-VQHVLOKHSA-N	306.152	3.517	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cnn(-c2ccccc2)c1	213625108	RNEBCQXPNMPDAP-BOPFTXTBSA-N	313.360	3.971	50	20	DHGD	
CC[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n([C@@H](C)COC)c1C	255078364	WZXQCFJUJHXKNA-RGQRQWOTSA-N	318.417	3.561	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC(C)C)ccc1Oc1cccnc1	255586962	AXRYDZVZXDCKPP-MHWRWJLKSA-N	321.380	3.614	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@H]2c2cccc(Cl)c2Cl)CC1	270898634	FDIAAQVMNUDFDN-STQMWFEESA-N	321.207	3.779	50	20	DHGD	
Cc1coc2ccc(NS(=O)(=O)CCCCCl)cc12	276274422	VKVJGYARKJCRQH-UHFFFAOYSA-N	301.795	3.502	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	293661489	JKZRSMHXESCHGH-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)c1cc(F)cc(F)c1	588597337	HQEXZLPWAMABQQ-MKMNVTDBSA-N	311.287	3.690	50	20	DHGD	
CC1=CC(=NNC(=O)c2ccc(Br)s2)CCC1	727255719	CZZZZQWGGGOMDU-UHFFFAOYSA-N	313.220	3.727	50	20	DHGD	
CCC(=NNC(=O)C(C)(C)c1ccccc1)c1cccs1	731150753	MACZKLKCKFXEOY-UHFFFAOYSA-N	300.427	3.956	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(-c2ccccc2Cl)on1	732266001	YBAHCKSEOIYHHN-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1ccc(Cl)cc1	749274520	SROKUAVJWZZTDC-OAHLLOKOSA-N	310.825	3.911	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)[C@H](C)Oc1ccccc1F	752717285	BKNRJZMXIWOWTB-ZDUSSCGKSA-N	306.381	3.665	50	20	DHGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)NNC(=O)CC1CC1	755740356	LNQFCLKLFDLXGY-UHFFFAOYSA-N	323.396	3.615	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccc(C(F)(F)F)cc1	769607129	ZYCLOLQTJWKTEL-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1ccccc1F	777171535	BSSCIJRQTARMJW-UHFFFAOYSA-N	302.374	3.861	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cc(Cl)ccn2)cc1	778448839	PLARPVHJYYGMLM-UHFFFAOYSA-N	303.793	3.835	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1ccc(Br)c(C)c1	780516279	LXYWIDMQHRWZSP-ONGXEEELSA-N	313.239	3.883	50	20	DHGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)C2CCCC2)c1	781554300	LSXYGRVIEMVFIM-SFQUDFHCSA-N	313.397	3.768	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])s3)[nH]c12	782180811	RXFCLTILXKHJNP-YFHOEESVSA-N	310.338	3.905	50	20	DHGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)c1ccc2c(c1)OCO2	794689410	BDKDZJAXZBPSIW-OVCLIPMQSA-N	317.300	3.951	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)C(=O)c1ccc(F)cc1	794936619	CMCLKOQDWBBRNT-NVNXTCNLSA-N	323.323	3.931	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803439327	AWWGNCLJPNLWCV-ZDUSSCGKSA-N	315.417	3.578	50	20	DHGD	
COc1ccc(-c2nc(/C(C#N)=C(\C)N)sc2C)cc1Cl	806553365	NJMZVPDOIFLWEO-DHZHZOJOSA-N	319.817	3.994	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1	812768286	NHWUJIJUQZWADO-ZIAGYGMSSA-N	302.418	3.567	50	20	DHGD	
CSCCCC=NNC(=O)Cc1ccc2ccccc2c1	814807543	ACIRLZCEFDSKMI-UHFFFAOYSA-N	300.427	3.628	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(F)cc1Br	819410387	REAGFEMYPCBJMF-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)c(C2CC2)n1	836778184	DZMYVHXQYYKRGU-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
O=C(CCC1CCOCC1)NNc1cccc(Cl)c1Cl	838345988	DRQBFNSNPBIACI-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
Cc1cc(-n2c(C)cc(/C=C(\C#N)C(=O)C(C)(C)F)c2C)no1	840735705	RUUUEMHUYBZSAI-RIYZIHGNSA-N	315.348	3.615	50	20	DHGD	
CCCC[C@H](C(=O)NNc1ccc(C(=O)OC)c(F)c1)C(C)C	857282454	VARYTGZJHIDPAD-ZDUSSCGKSA-N	324.396	3.518	50	20	DHGD	
C[C@@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F	859413409	GQQZDCCKYQUGPZ-VBINLGHQSA-N	321.327	3.682	50	20	DHGD	
C[C@H](NNC(=O)C(C)(C)CCCc1ccccc1)C(F)(F)F	862313784	OIHBWUITENBFTE-LBPRGKRZSA-N	316.367	3.607	50	20	DHGD	
CC(C)(C)c1ccc(C(F)(F)C(=O)N2CC=C(C#N)CC2)cc1	879345244	PBSHPCHKUJXSEI-UHFFFAOYSA-N	318.367	3.758	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2cc(Cl)ccc2C)C1	885126953	JIKCRIXYLKHXSI-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
COc1cc(C(=O)/C=C\c2ccc(OCCCCl)cc2)on1	901512311	JRODFCAGJYSKLK-YVMONPNESA-N	321.760	3.587	50	20	DHGD	
O=C(NCc1cccc(Cl)c1)NNc1ccccc1Cl	915884095	KZWFSPMLLJFSGM-UHFFFAOYSA-N	310.184	3.820	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1oc(C(C)C)nc1C	928337597	SKPPBODQTWQGIN-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1F	1319571141	FOKZGGGUQHFXAZ-RKPNYOAGSA-N	324.355	3.619	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3cccc(F)c3)CC2)cc1Cl	1321865175	BDUHCKYYJAGOFA-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
C[C@]1(COC(=O)c2nccc3ccccc23)C[C@H]1Br	1344048853	NPRUONCUTCNNBC-IUODEOHRSA-N	320.186	3.565	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNc1ccc(C(=O)O)cc1F	1590922261	WELOKPGGAPISRK-GFCCVEGCSA-N	322.380	3.740	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1C(=O)O	1610080164	QHXSPEBTCOUUPF-POHAHGRESA-N	315.350	3.700	50	20	DHGD	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	16441468	LERXFZLBURYWSB-MDWZMJQESA-N	317.304	3.866	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2ncc(-c3ccccc3)o2)cc1	119645345	VVEYCHKJQZGZDW-UHFFFAOYSA-N	321.380	3.726	50	20	DHGD	
Cc1cc(C)c(Br)c(C(=O)NNc2ccccc2)c1	127743562	LXDWREGPPLDYAX-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(F)c(F)c(F)c1	130707110	ZAHJHICJBYMWLD-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1ccc(C)c(-n2ncc(C(=O)NNc3ccccc3)c2C)c1	154732168	JJRANSZZJJNQRQ-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)cc1	158694112	RPGDJRQXIIAMCZ-ZIAGYGMSSA-N	302.324	3.520	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(F)cc(F)c2)cc1	179175169	YGHVUIRACWXHIV-SDQBBNPISA-N	314.291	3.519	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C(C)(C)C)n1	180254205	PNRJWNHKCBCLBA-FMIVXFBMSA-N	305.385	3.658	50	20	DHGD	
O=C(CCl)Nc1cccc(Oc2ccc([N+](=O)[O-])cc2)c1	221393954	YDXWMAWVARBJBH-UHFFFAOYSA-N	306.705	3.564	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CCSc2ccccc21	283904317	IATQELLVEXWGCK-LLVKDONJSA-N	314.501	3.534	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccc(F)cc2)[C@H]1[C@@H]1CCCO1	289980140	XTRIZTPSYSHTKS-NPTTZVSOSA-N	300.377	3.580	50	20	DHGD	
CO[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)CC1	374664416	PZOYFOBJDBHPKK-UONOGXRCSA-N	317.520	3.728	50	20	DHGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)C(=O)Nc1ccccc1	490639670	YIIFEEBJAWMTSK-WQLSENKSSA-N	322.755	3.533	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cccc(Cl)c1O	491013046	SSHXWRJZJCKSQF-DHZHZOJOSA-N	316.719	3.730	50	20	DHGD	
FC(F)(F)c1ccc([C@@H]2CO[C@@H](CBr)C2)cc1	536958345	ZJBXBTCZRFNBFS-GXSJLCMTSA-N	309.125	3.973	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)c1C	726876217	KPEWGLBMEXNUTF-ZROIWOOFSA-N	318.380	3.791	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)[C@H](C)Oc2ccccc2F)CC1	729636558	LMSUZZZRNWTMCL-LSLKUGRBSA-N	320.408	3.911	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NN(C)c1ccccc1	743291913	VLZQMFZGIGQCGE-AWEZNQCLSA-N	300.377	3.562	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C)n(C(C)(C)C)n2)c(C)c1	743764555	RCBMQMZWFYBLBH-UHFFFAOYSA-N	314.433	3.629	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2C[C@@]23CCc2ccccc23)ccc1[N+](=O)[O-]	744036516	AUEZFKRXVMKLLE-VQIMIIECSA-N	323.348	3.713	50	20	DHGD	
Cn1cc(C(=O)NN=C/C=C/c2ccccc2)c2ccccc21	744780812	IUIKRHPDGGSGID-UAPMUVCSSA-N	303.365	3.607	50	20	DHGD	
CC(C)CCCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	747905647	HWLRVXDYPPTISP-UHFFFAOYSA-N	324.852	3.636	50	20	DHGD	
CCC1(C)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	751870353	CZJXILMBILDTAZ-NTCAYCPXSA-N	300.377	3.771	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1cnnc2ccccc12	753433776	LBLGQRKVKLXOJH-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2ccsc2C1	761121874	HSTIYLZIZMQLLQ-TVPGTPATSA-N	311.366	3.579	50	20	DHGD	
CC1(c2ccccc2)CCC(=NNC(=O)c2cccnc2)CC1	766677933	HLBFEIIMCDSHRT-UHFFFAOYSA-N	307.397	3.699	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CC(c2nc3ccccc3[nH]2)C1	766941827	NMUVXORJPRPQDA-GIJQJNRQSA-N	318.355	3.666	50	20	DHGD	
Cn1ccc2c(NC(=O)[C@H](Br)C(C)(C)C)cccc21	767950954	XGHKNKHFKITYIK-ZDUSSCGKSA-N	323.234	3.926	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(Cl)cn1)c1ccccc1	774385949	VFNYSSQYNSKVIV-HNNXBMFYSA-N	315.804	3.769	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2ncc(Cl)cc2Cl)o1	775271421	MGYDMMIAEMOLKB-MRVPVSSYSA-N	314.172	3.537	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(/C#N)C(=O)C(C)(C)C	777884839	POJQMJGIUKSEJZ-BENRWUELSA-N	301.773	3.874	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cccc(C(F)(F)F)c1C	792331240	YUJNBOGYOPIDDM-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
C=C(CBr)COC(=O)C1(c2cccc(C)c2)CCC1	795376662	AUBIICIBSJIJMF-UHFFFAOYSA-N	323.230	3.911	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1coc(-c2ccccc2)n1	799755801	KLMXLUVQGGEIAZ-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1ccc(F)cc1	799759848	XNLCKQZZXWJBHO-UHFFFAOYSA-N	300.377	3.772	50	20	DHGD	
O=C(NNc1ncccc1F)[C@H]1C[C@H]1c1ccc2ccccc2c1	804213801	QMWGRDOZRQNSCP-HOTGVXAUSA-N	321.355	3.621	50	20	DHGD	
C=CCN(CC1CCCCC1)C(=O)NCCSSC	807231651	RUOCATBSRHUNKA-UHFFFAOYSA-N	302.509	3.776	50	20	DHGD	
CC[C@@H](C=NNC(=O)COc1cccc(C)c1)c1ccccc1	814717072	ZULRHAYGCUSLTB-INIZCTEOSA-N	310.397	3.670	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)CC1CCCC1	816486934	XVWLMNSTDZFXBM-NSHDSACASA-N	324.856	3.913	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)CCCc2cccnc2)cc1	834928693	XGVIGGSPXJLPPP-UHFFFAOYSA-N	309.413	3.773	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)C1CC2(CCC2)C1	843579895	WZTKHSBEZAUVSZ-UHFFFAOYSA-N	312.325	3.629	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C[C@@H](C#N)CCC#N)C1	844335042	IQNPAOSSEWQHCJ-CVEARBPZSA-N	321.541	3.916	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1cc(C)ccc1C)CCC2	847600294	JVECBQODKGSYGK-KRWDZBQOSA-N	324.424	3.875	50	20	DHGD	
CC1(C)C[C@@]1(C(=O)NNc1cccnc1Cl)c1ccccc1	854930300	UVKVDMYOLKKZOZ-KRWDZBQOSA-N	315.804	3.546	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	855365971	YEBRLVFHRBUNCM-IUODEOHRSA-N	316.376	3.926	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1cc(C#N)ccc1Br	855615726	RVRBBDUYKJIMKB-UHFFFAOYSA-N	324.222	3.590	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)[C@@H]1CCCCC1(F)F	863082055	BYTXZOATMMUELJ-VIFPVBQESA-N	306.715	3.748	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2ccc(C(=O)N3CCCC3)cc2)n1	864364498	CDUNDRFWFQUDQD-MHWRWJLKSA-N	323.421	3.752	50	20	DHGD	
CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1cccnc1	916278361	JBESCMMJCRGDML-UHFFFAOYSA-N	311.429	3.528	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C/C=C/c2ccccc2)cc1	916345534	DTNPRUQJCVMZAA-VNELNHGRSA-N	310.422	3.903	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1ccc([N+](=O)[O-])cc1Cl	1253427948	NWAKVVCQXUOKLQ-UHFFFAOYSA-N	323.780	3.518	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(C(C)(C)C)nn1	1323001630	OANJNNZKIMNIAR-CQSZACIVSA-N	318.465	3.824	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1cccc(C(=O)O)c1)C(C)C	1605254196	SDNVVKSHKGSWNY-HNNXBMFYSA-N	306.406	3.680	50	20	DHGD	
CCCN(N=Cc1ccc(C)c(C(=O)O)c1)C(=O)OC(C)(C)C	1776058913	KGUAWTQMOPYYIK-UHFFFAOYSA-N	320.389	3.674	50	20	DHGD	
CC(C)N(N=Cc1ccc(C(=O)O)c(F)c1)C(=O)OC(C)(C)C	1776110652	LULYVAJRRDXYHS-UHFFFAOYSA-N	324.352	3.503	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1C(=O)O	1776131258	MUGOMFUWNJIRSU-ZSOIEALJSA-N	308.293	3.666	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)c1	6949960	BKNLDTWFIVQXMO-PTNGSMBKSA-N	322.364	3.640	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)NCCc1ccccc1	40889454	JAIQZKLVUAMCKM-DTLUPDQHSA-N	302.377	3.509	50	20	DHGD	
C[C@H](CCOc1ccccc1)C(=O)NNc1ccc(F)cc1F	72912230	FVIPDJWVRTUCFW-GFCCVEGCSA-N	320.339	3.513	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCC[C@@H]2CCCC[C@@H]21	74040095	FVVNKHPCEIQEGZ-GJZGRUSLSA-N	323.868	3.534	50	20	DHGD	
CC(C)(CC(=O)NNc1ncccc1Cl)c1ccccc1	114882569	MZWJQTLSHRGDRM-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)Cc1cccc(F)c1	119137764	JCHJEEPJQRBQFD-LBPRGKRZSA-N	304.340	3.595	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(-c2ccccc2)on1	126252272	XCGFGKRLPUZCRU-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H](c1ccccc1)C1CC1	130446939	ZAJZZPIWBQNLLI-MRXNPFEDSA-N	300.789	3.977	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2cc(C)ccc2F)cc1	150853131	JGFKZKVUJQMUTE-UHFFFAOYSA-N	314.360	3.549	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(-c2ccccc2)nn1)C(C)(C)C	155306145	APZDYRSNHKQKDB-SEYXRHQNSA-N	310.401	3.579	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2cccc(OC(F)(F)F)c2)c1	158960075	CSJXIBABUIUFNK-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2SCCc3sccc32)c1	159311731	KPTUGRNXHRNABT-HNNXBMFYSA-N	318.467	3.839	50	20	DHGD	
Cc1cc(Cl)cc(C(=O)NNc2cc(F)c(F)cc2F)c1	159780989	YHJKJAWAGMETOJ-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
C/C(=C\C(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	172445546	WBIFQFQBXATYIQ-MDZDMXLPSA-N	306.287	3.651	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2(Cc3cccc(F)c3)CCC2)cc1	186496839	WYWWGCRLBPEKIV-UHFFFAOYSA-N	323.371	3.553	50	20	DHGD	
CCC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCCCC1	186938303	AVLNNPGGRSMRJJ-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(C)c(OC(F)F)c(C)c1	192577507	IIPCRYQSSGLWPW-MDWZMJQESA-N	307.296	3.541	50	20	DHGD	
N#C/C(=C/c1ccco1)C(=O)Nc1ccccc1C(F)(F)F	207924654	WXAJMHNMCIOEMN-NTMALXAHSA-N	306.243	3.844	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1	255060556	HYFCRHOKXZSXBB-JPHOHROUSA-N	312.413	3.615	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1cccc(Cl)n1	293753723	SUYMDRDFKHNZQQ-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
Cc1cc(/C=C(/C#N)S(C)(=O)=O)c(C)n1C1CCCCC1	301846436	VQFGKYFUVGFBSF-YBEGLDIGSA-N	306.431	3.519	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccccc1C#N)c1ccccc1	490697228	QJSAKDFDMNGDDR-TVNWYLLRSA-N	315.376	3.733	50	20	DHGD	
CN(N=Cc1nc2ccc(F)cc2s1)C(=O)OC(C)(C)C	496701534	MGXWKAMFDWYTFU-UHFFFAOYSA-N	309.366	3.636	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(-c2ccc(F)cc2)o1	728431539	XCPOGWYNRMTJIP-UHFFFAOYSA-N	302.349	3.972	50	20	DHGD	
O=C(NN=C1CCCc2ccccc21)c1cccc2ncccc12	730147056	MGNBHZIHICJKFZ-UHFFFAOYSA-N	315.376	3.705	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc2ncccc2c1)c1ccccc1	731932429	KSYPXWJXPVACCX-GOSISDBHSA-N	317.392	3.879	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@@H](C)CC(C)(C)C)c1ccccc1	731998943	IGIGPQNKNJYQQY-ZBFHGGJFSA-N	318.461	3.790	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)o1	734093886	XKFUYQQGXDQIEE-SKDRFNHKSA-N	318.760	3.526	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cnnc2ccccc12	743410452	NFIODGSIZPJYTJ-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1ccccc1F	747362369	ZFJNWTBPQAGOOK-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
O=C(Cc1ccsc1)NNc1cc(Cl)ccc1Cl	752812655	IZGZZRIOOUXLQX-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
COc1ccc(C[C@@H](C)C=NNC(=O)OC(C)(C)C)cc1F	758067849	KEJJOVCYWDCNJI-LLVKDONJSA-N	310.369	3.523	50	20	DHGD	
O=C(NN=Cc1csc(Cl)c1Cl)c1ccccc1F	761742680	CMYGTEJIZNSNJW-UHFFFAOYSA-N	317.172	3.958	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=CCCC1CCOCC1	764904669	FDKPYVSTOYCHER-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
Oc1nc([C@@H]2CC[C@@H](Br)C2)nc2ccc(F)cc12	765984206	ZZKTVZACFCRPES-HTQZYQBOSA-N	311.154	3.506	50	20	DHGD	
Cc1cccc(C(=O)OC[C@H](C)CBr)c1Cl	770401445	YKIOKJHUOAOSFK-MRVPVSSYSA-N	305.599	3.836	50	20	DHGD	
N#CSCCCNC(=O)c1sccc1-c1ccccc1	773593283	HWHGWKKEXJHDJI-UHFFFAOYSA-N	302.424	3.749	50	20	DHGD	
COCc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)c1	774562113	RUNRLOSDHLETKS-CXUHLZMHSA-N	324.336	3.814	50	20	DHGD	
Cc1ccc(F)cc1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	777879931	ZLPSKTONWAGGHU-UHFFFAOYSA-N	314.404	3.801	50	20	DHGD	
CS[C@H]1CC[C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)C1	780834547	MTJUDNNPWHJALV-CABCVRRESA-N	321.490	3.894	50	20	DHGD	
Cc1ccc(CNC(=O)[C@@H](Br)C(C)(C)C)cc1F	781071416	WWBFLYUFGALJFG-GFCCVEGCSA-N	316.214	3.560	50	20	DHGD	
C=C(CBr)CN[C@H]1C[C@@H](OCC)C1(CC)CC	791493500	MPESABZUZIRUMF-QWHCGFSZSA-N	304.272	3.511	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)CC(C)(C)C2CCCCC2)n1	792933002	UOEIVYBOXZIKDL-UHFFFAOYSA-N	304.438	3.533	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H]1CC(C)(C)CCc2ccccc21	799742028	WGXDSEKEJVHVDI-REZBVGGZSA-N	312.413	3.650	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCCF)c1cc(Cl)ccc1O	800809888	YKXKHVLKIRVVNV-JTQLQIEISA-N	312.772	3.681	50	20	DHGD	
C[C@H](C(=O)NNc1ncccc1F)c1ccc2ccccc2c1	804213393	NDBOEHHVFBMTCM-LBPRGKRZSA-N	309.344	3.621	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1cccc(F)n1	804771574	DMSVZUZBXZLQAN-QWHCGFSZSA-N	313.376	3.653	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(Cl)n1)c1cccc(F)c1	817005154	HEPPCXSJZQWXBS-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(F)c1C(=O)OC	819711291	RSIOIABJFJXCAT-GFCCVEGCSA-N	324.396	3.662	50	20	DHGD	
Cc1ccn2ncc(C(=O)NNc3c(C)cccc3C(C)C)c2c1	832322565	NLYSZQPNSRFFTC-UHFFFAOYSA-N	322.412	3.831	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@H](C2CCC2)C2CC2)cc1	837243457	GZZJKSZUFWYRJS-LYPXWFNGSA-N	324.424	3.687	50	20	DHGD	
CC(C)(C)[C@@H]1CCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	840537165	APAQEXQDYQTZHD-ZJCQAOIJSA-N	312.413	3.630	50	20	DHGD	
N#C/C(=C1\COc2ccc(F)cc21)c1nc(-c2ccccc2)no1	918155222	DZCDMRSCBRYSSC-PFONDFGASA-N	319.295	3.702	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc2c(c1)CCC2)c1ccccc1	1116148907	VDERUCUZSDMWBK-QGOAFFKASA-N	302.377	3.745	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccc(F)c(F)c1	1319085244	ZIEWBLVSSUGDDF-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1C	1321999722	FLYGHOXXZBZPFC-DHDCSXOGSA-N	322.364	3.563	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C[C@H]1C[C@@H]1Cc1ccccc1	1553143046	BJVFHGHKDYKSEV-QWHCGFSZSA-N	300.229	3.517	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1C(=O)O	1610080166	QHXSPEBTCOUUPF-UXBLZVDNSA-N	315.350	3.700	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)c(C)cc2C)o1	1777433695	VZDDOVVVTQYTTH-VGOFMYFVSA-N	309.321	3.693	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1csc(C(=O)O)c1	1777477153	AHGQVPJYEBFKSU-ONNFQVAWSA-N	303.364	3.606	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(OC)cc1	5900847	HSXYYOQVYNEPCR-QINSGFPZSA-N	322.364	3.640	50	20	DHGD	
O=C(NNc1ccccc1)c1cccnc1Sc1ccccc1	70716726	YKQKKHGJVGAWSH-UHFFFAOYSA-N	321.405	3.990	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C3CC3)n(C(C)(C)C)n2)c1	79816240	BGFPHHGGXSSVLL-UHFFFAOYSA-N	312.417	3.581	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2C)o1	114991113	TXGDUHRSTZIAIZ-RAXLEYEMSA-N	310.328	3.603	50	20	DHGD	
Cn1c(C(=O)NNc2ccccc2Cl)cc(Cl)c1Cl	158175144	QGNXOIWRZGFQLH-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2c(C)cccc2F)cc1C	184324263	RPBVVDCQLNKNET-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)cnc12	193165045	CPFCVAILNLONEG-NTUHNPAUSA-N	323.302	3.711	50	20	DHGD	
CC(C)Oc1cccc(/C=C(\C#N)c2nnc3n2CCCCC3)c1	194855362	ZPCUIENQIJZJNV-LFIBNONCSA-N	322.412	3.856	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1SC	214933725	WDXCNQRBNVUEJY-GXDHUFHOSA-N	324.405	3.963	50	20	DHGD	
C/C(C=NNC(=O)c1c[nH]c2ccccc12)=C\c1ccccc1	263626315	HZGCAELCWCWMJJ-UJVFBOAKSA-N	303.365	3.987	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC2(CCC2)[C@@H]1[C@@H]1CCCO1	289676963	VEDKCMXKKLAFGP-OPYOOYIWSA-N	312.388	3.724	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(Cl)c1Cl)C(=O)N1CCCC1	491177057	UBDQZCHRUWMCMM-YFHOEESVSA-N	313.159	3.662	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1csc(-c2ccc(F)cc2)n1	728429269	XNUSPFDMBCKTTM-UHFFFAOYSA-N	319.405	3.836	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=S)Nc1ccc(C)cc1C)C(C)C	729687848	BFSQYZAEZSHSMI-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)c1ccccc1F	730544880	CZEPMRFFDUSIFG-UHFFFAOYSA-N	310.328	3.898	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCOc2ccc(C)c(C)c21	737426878	GKZJEAKSWZIFAV-UHFFFAOYSA-N	308.381	3.528	50	20	DHGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)c2cccc(C#N)c2)cc1	741841229	AWPQWYUKHCEEKZ-SFHVURJKSA-N	317.392	3.920	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccc(Cl)nc1	743817011	PBVQEALEKQURAQ-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
O=C(Cc1cccs1)NNc1cc(Cl)ccc1Cl	748511165	IZVWNGKYMDKQNY-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
CC(C)=C[C@H]1[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)C1(C)C	748666424	MTSHHCHJKFXPOK-SWLSCSKDSA-N	317.389	3.585	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=Cc1ccccc1C1CC1	751129853	PAEJCEHCRNNBCA-UHFFFAOYSA-N	322.408	3.656	50	20	DHGD	
N#C/C(=C\c1cc(Br)ccc1Cl)c1ccncn1	758914698	IOJSFRWRISXESL-BJMVGYQFSA-N	320.577	3.957	50	20	DHGD	
CC(C)(C)C[C@@H](NC(=O)NNc1ccccc1)C(F)(F)F	760044790	BKGNWIJNTHTRNJ-LLVKDONJSA-N	303.328	3.680	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cnc(C3CCC3)s2)cc1	760234470	SHFTYLMQUIVQDT-UHFFFAOYSA-N	313.426	3.737	50	20	DHGD	
N#CC(C#N)=CNCCCCCCOc1ccc(Cl)cc1	768753502	VYJHDRGTXLVZKK-UHFFFAOYSA-N	303.793	3.800	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2)cc1C	770099293	LLQNOHLUOHFITK-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
C=CCC[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	772622150	BOJIYAZXAZAXIK-SFHVURJKSA-N	320.396	3.892	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)Cc1ccccc1	777477458	BTOHLIDEGLFMQQ-HNNXBMFYSA-N	319.408	3.865	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCc1ccccc1	781066830	NTLYRQILXJCPDA-ZDUSSCGKSA-N	312.251	3.545	50	20	DHGD	
O=C(CCCc1ccsc1)NNc1cccc2cnccc12	783589562	MNZXVJORUJJKOY-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1csc(Cc2ccccc2)n1	786677473	ZKSFYHXMVQPVSX-OVCLIPMQSA-N	324.405	3.637	50	20	DHGD	
Cc1cscc1CNC(=O)NNc1ccc(Cl)c(F)c1	787337638	NMTZRSQKZJLUIG-UHFFFAOYSA-N	313.785	3.675	50	20	DHGD	
CC1(C)CN(/C(=C\C#N)c2ccccc2)C[C@@H](C(F)(F)F)O1	795066500	ULPDJUVPOGUBDC-MQJVFOOVSA-N	310.319	3.593	50	20	DHGD	
Cc1ccc(-c2ccc(C)c(NC(=O)NN=c3cc[nH]cc3)c2)o1	797655593	NLAFHMDZMBKNFX-UHFFFAOYSA-N	322.368	3.529	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cccc2c1CCCC2)c1cccnc1	797948600	ATXZYHHZIGYLQM-LJQANCHMSA-N	323.440	3.843	50	20	DHGD	
CCC(CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802089482	BBWWQYFONMYMEX-UHFFFAOYSA-N	318.204	3.582	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3cccc(F)n3)oc12	804765805	XZVTYKRCADTBFI-UHFFFAOYSA-N	313.332	3.649	50	20	DHGD	
COc1ccc(NNC(=O)CCCc2ccccc2Cl)cc1	810346018	ZSCWGGDZIHOGFC-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(F)cc1O	812766178	JXHKVNXGKHGRBT-UHFFFAOYSA-N	302.349	3.720	50	20	DHGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)OC(C)(C)C	814692405	BAGNRLJJFJKIDE-GOEBONIOSA-N	318.417	3.850	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2[C@H](C=C(C)C)C2(C)C)cc1	817879871	RATFFYNJJGZFHT-HOTGVXAUSA-N	302.418	3.767	50	20	DHGD	
CCn1ccnc1[C@@H](C)NCc1ccc(OCCCCl)cc1	825005409	JVUHGQOXUOIOCR-CQSZACIVSA-N	321.852	3.762	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2csc(C)n2)c(Cl)c1	836937238	FQCWYMNMKOJHLR-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2ncccn2)CC1	844345741	ZBNQCXMTTWJAIG-UHFFFAOYSA-N	321.541	3.710	50	20	DHGD	
COc1cccc(NC(=O)CCCC[C@H]2CCSS2)n1	855139806	FRXVHEMJCIHKAD-NSHDSACASA-N	312.460	3.743	50	20	DHGD	
CN(NC(=O)OCc1ccccc1)[C@@H]1CCc2ccc(F)cc21	859387183	RNGNYZCFDOCGIJ-QGZVFWFLSA-N	314.360	3.586	50	20	DHGD	
CC(C)[C@@H](F)C(=O)NNc1ccc(OCc2ccccc2)cc1	862517203	IFAGIYCHRHQWDA-QGZVFWFLSA-N	316.376	3.703	50	20	DHGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)c1ccncc1	869461758	JMCITLXWOYOZQK-NDPMZMCLSA-N	324.218	3.640	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2cc(Cl)ccc2C)cc1C	885126573	ATHAKFAUNIDANK-NSHDSACASA-N	320.824	3.881	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(C)c(C)c2)cc1	915950233	DZKODWVWOYWBAG-UHFFFAOYSA-N	312.438	3.854	50	20	DHGD	
CC(C)[C@@H](CNC(=O)NNc1ccc(F)cc1)c1ccccc1	916625255	FLSZPVKCJAPYSG-QGZVFWFLSA-N	315.392	3.892	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)c1cccc(Cl)c1)CC(C)(C)C	916724588	GRDQYVGMGWPFSG-LLVKDONJSA-N	310.825	3.563	50	20	DHGD	
CCC(C=NNC(=O)NCc1cccc(C(F)(F)F)c1)CC	921260582	BGKQPHLXACBERC-UHFFFAOYSA-N	315.339	3.927	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C(F)(F)c1ccccc1C	1323183772	SKPIVARHUSWYAW-UHFFFAOYSA-N	308.303	3.678	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1c(Cl)cccc1Cl	1340015934	IWMZQKHBVRMIOP-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2ccccc2C)cc1C(=O)O	1597791625	SJCXZFYTHNLXFZ-WQLSENKSSA-N	309.321	3.639	50	20	DHGD	
CC(=O)c1c[nH]c(C(=O)NN(c2ccccc2)c2ccccc2)c1	11006596	VBEJOOSYXZPQNZ-UHFFFAOYSA-N	319.364	3.700	50	20	DHGD	
COc1cccc2cc(/C=C(\C#N)C(=O)NC3CCCCC3)oc12	45299557	LUASURIBHLNOPI-SDNWHVSQSA-N	324.380	3.797	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1ccc(F)cc1F	113432929	ORDWCLVBOLRNIO-PKNBQFBNSA-N	318.323	3.520	50	20	DHGD	
O=C(NNc1ncccc1Cl)C1(c2cccc(Cl)c2)CC1	114885903	JLZXHSOWAVUMHR-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1cccc(F)c1	154252356	OJCXCJFCEORMFB-LBPRGKRZSA-N	304.340	3.677	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2ccc(C#N)cc2)cc1	155158700	WAOFYGCAHWVEQD-CQSZACIVSA-N	307.397	3.758	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(C#N)cc1)c1ccc(C)cc1	155158930	RGEZMJBJMSGAPC-MRXNPFEDSA-N	307.397	3.894	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(C(F)(F)F)c(F)c1	190247619	BTHJIZTWDVJPER-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccccc1Cl	252629031	TXGBUVRFBSUZGB-UHFFFAOYSA-N	311.772	3.514	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1nc(C2CCC2)cs1	282968689	JDYAAWUWBLTDJS-UHFFFAOYSA-N	323.809	3.608	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ccc3c(O)nccc3c2)CC1	285581615	DKIUUYMOAXROLO-UHFFFAOYSA-N	311.385	3.520	50	20	DHGD	
CC(C)(C)c1cnc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)s1	291686469	XBOBDGSYHSLHFP-UXBLZVDNSA-N	314.370	3.808	50	20	DHGD	
CSSCCNC(=O)Nc1cccc(-c2nc(C)co2)c1	375435620	YLRYCIGSWMQKDH-UHFFFAOYSA-N	323.443	3.783	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCC2(CCCCC2)C1	588515724	GKQPQXPAMAWEDP-LGMDPLHJSA-N	324.424	3.872	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)C1(c2cccc(Cl)c2)CC1	743818395	WETMUNZJTUUGJV-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748711202	RGRTUBBUNUBVRY-UHFFFAOYSA-N	313.785	3.764	50	20	DHGD	
CCC1(CC)CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752538368	JYMRAMLOOSEAMF-RVDMUPIBSA-N	300.377	3.771	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC12CCC2	752740869	SIZNLBAFVFACSH-DSQDWWTGSA-N	312.388	3.771	50	20	DHGD	
Cc1ccnc(NNC(=O)CSc2ccc(C(C)C)cc2)c1	755847613	XIWRRVIDNCHZIJ-UHFFFAOYSA-N	315.442	3.749	50	20	DHGD	
CC[C@@H]1CCCC1=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	758372352	MVQWOCDVIIEMDJ-CYBMUJFWSA-N	310.401	3.681	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)c2ccccc2F)c1C	759667487	SMORVFGLLQSVMQ-GXDHUFHOSA-N	311.360	3.839	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)c1ccc[nH]1	760874095	UZRJWYUECDUQCR-QMMMGPOBSA-N	313.188	3.709	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)CCC2CC2)cc1	760988715	QRZNNOSRIQVDQQ-LGMDPLHJSA-N	312.413	3.641	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNC(=O)c1cccc2ccccc12	761458270	FVSNBIYIWIEUDE-CYBMUJFWSA-N	312.413	3.673	50	20	DHGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1cc(C)[nH]n1	764796271	DKCRHQVOBLVXIN-UHFFFAOYSA-N	324.384	3.571	50	20	DHGD	
COc1ccsc1C(C)=NNC(=O)C(C)(C)c1ccccc1	769779927	QJRQAXWTWDYUBD-UHFFFAOYSA-N	316.426	3.575	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccc2F)C1	776488960	UPADRHCBYWPSJK-RKDXNWHRSA-N	304.287	3.724	50	20	DHGD	
C=CCC[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	779396216	CUCDPAHGXRIKBU-HNNXBMFYSA-N	320.396	3.756	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@H](C)c1ccccc1F	788193546	TYVHRPKOZUAVIM-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
O=C(Cc1cccc(C(F)F)c1)NNc1cccc(Cl)c1	790512391	QRAPWTAXPBIFEW-UHFFFAOYSA-N	310.731	3.963	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](c2ccccc2C)C1	790875487	FJDBVQIEKKZNQJ-ZDUSSCGKSA-N	310.488	3.505	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccnn2C(C)C)c(Cl)c1	794516288	SMTPXFYCMPUBDQ-UHFFFAOYSA-N	319.796	3.581	50	20	DHGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)C1CCOCC1	794959266	TWXWKHGTSYEMOP-WEVVVXLNSA-N	316.209	3.958	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C)c(Cl)c1F	795640768	OHEZVESRWGZZDY-UHFFFAOYSA-N	321.573	3.895	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)ccc1[N+](=O)[O-]	798212029	VCPHTGPSJNEZET-LSDHHAIUSA-N	315.300	3.751	50	20	DHGD	
Cn1cnc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)c1	800793248	IMFDAOBFDMAHAC-WMZJFQQLSA-N	306.152	3.517	50	20	DHGD	
CC(C)(C)c1ccc(/C=C/C(=O)NNc2cccc(F)n2)cc1	804772285	DKRFUTNHIHAKBC-FMIVXFBMSA-N	313.376	3.675	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)ccc1Cl	805383679	KVEIPUKXGIKKQB-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)Nc1ccccc1Cl	806087550	HBADHJDMKUIVQO-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
CC(C)CO[C@@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	808734382	UULDDFZPLBRLQI-OAHLLOKOSA-N	301.547	3.755	50	20	DHGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1ccc(Br)cc1C	812538815	XASOLDURLOSJIM-ZYHUDNBSSA-N	311.223	3.637	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)c1c(C)noc1C	812767157	DYGJEEFGSVOZMJ-LBPRGKRZSA-N	315.417	3.970	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)[C@@H]1CCCOC1	813129592	DNCKDIPVZUXKMZ-HUUCEWRRSA-N	319.449	3.560	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ncc(C(C)(C)C)s1	814806664	LIFFEWBEVFXOOM-UHFFFAOYSA-N	316.430	3.905	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCc3ccccc3O2)cc1	839788721	NRWAOCLDBYUVSI-GOSISDBHSA-N	310.397	3.647	50	20	DHGD	
Cc1cc(F)c(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c(Cl)c1	840719599	LGBYIWQKPAWMEB-LAPSENCUSA-N	307.752	3.690	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cc[nH]n2)CC1	844345518	SSLGTYDTQSPPRY-UHFFFAOYSA-N	309.530	3.644	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1C[C@@H]1CCOC1	844349956	QWWNZNHZTOGVRD-HOTGVXAUSA-N	313.558	3.899	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCc2ccccn2)C1	852522809	PXAZEMBMIMUSMB-INIZCTEOSA-N	306.526	3.720	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2cccc(F)c2Cl)C1	862506679	GTZIEDRYXIPINF-GHMZBOCLSA-N	314.788	3.518	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1	912583066	TZQXJPXZASNDFN-CDNLZTBQSA-N	320.509	3.651	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@H]3C2)c1	916222566	BHSFQZUHHUXHKX-HRCADAONSA-N	312.417	3.543	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1ccc2ccccc2c1	916662846	AOEWQLDJUAQMRU-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(-c2ccccc2)cc1	917552337	QPIYGDJRWCOLET-UHFFFAOYSA-N	321.302	3.549	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)NNc1ccccc1C(F)(F)F	918155465	QKQSDZVBPLXNHA-ZYHUDNBSSA-N	315.339	3.910	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)cc2C)C1	928337040	ICFYBOJVTWHMFL-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1Cl)c1ccccc1Cl	1083978424	JLFUERMWYRYIGT-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CCN(C(=O)CCl)[C@H](c1cccnc1)c1ccc(F)c(F)c1	1253968202	LIVGCXDVBGCLMW-INIZCTEOSA-N	324.758	3.537	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(O)ccc2Cl)cc1Cl	1323880512	UTKPCVKZALIOFY-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
c1cc(Cc2nnc(CCCC[C@@H]3CCSS3)o2)ccn1	1325780696	VLBNKBDMSJDNMA-CYBMUJFWSA-N	321.471	3.922	50	20	DHGD	
CCS[C@@H]1CCC[C@H]1NC[C@@H](CBr)C1CC1	1329805884	KNIYRYJSQSSOSK-JHJVBQTASA-N	306.313	3.671	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1cc(Cl)nc(Cl)c1	1348996649	WXWCWMHANZDYIB-UHFFFAOYSA-N	314.216	3.658	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCOC2(CCCCC2)C1	1358173666	XICDQDIQAPAGEZ-UHFFFAOYSA-N	307.821	3.601	50	20	DHGD	
O=C(CCSc1ccccc1F)NNc1ccc(F)cc1	52735854	RCJNARVGXBJTOY-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
CCc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1	114112953	BFVBFGUYQRMFTQ-UHFFFAOYSA-N	305.809	3.553	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2csc(C3CC3)n2)cc1	114991754	ITBAUJOANWAHOS-NVNXTCNLSA-N	323.421	3.552	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	120876817	UPEQYJWWCMREDC-NWDGAFQWSA-N	300.324	3.807	50	20	DHGD	
CC1(C)C[C@@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	163292032	MJCYZHCRWRQSLJ-HNNXBMFYSA-N	319.449	3.568	50	20	DHGD	
N#Cc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c1	170697927	RJQMKRCOCWHLIN-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCO2	171019919	IPMKKFWYTCLUQN-SDQBBNPISA-N	305.761	3.633	50	20	DHGD	
CCCc1sc(C(=O)NNc2ccnc(F)c2)cc1CC	182436138	GQUPHTKYWMIZKY-UHFFFAOYSA-N	307.394	3.554	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cncc(-c2ccccc2)c1	184317983	QQMZSMXCPHFGQB-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)s1	194535866	HVRBEDKFNIZBLA-UXBLZVDNSA-N	305.305	3.825	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)cc1	194897276	JQUKWQUSWQPYCO-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1sccc1Cl	195223776	PBZZAOUCMZJKRX-NTMALXAHSA-N	318.785	3.956	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(Br)s1	252460031	BBVSUNFUJLZGKJ-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
Cc1cc(C)c(C(=O)/C=C\c2cnn(CCCl)c2)cc1C	255067637	GXVXAKAEBPMGEE-PLNGDYQASA-N	302.805	3.943	50	20	DHGD	
COc1ccccc1[C@H]1CCN(C[C@@H](C)CBr)C1	274438295	AXGQJMJBVFHHDL-STQMWFEESA-N	312.251	3.516	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)Nc1nccs1	490701993	YDXKTQCKHNBEPU-XFFZJAGNSA-N	305.309	3.626	50	20	DHGD	
C[C@H](CCNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	490878996	PYRRHOHQXBLVMV-QLENYVDCSA-N	320.392	3.609	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnccn2)cc1	490974771	ODPSWAOIBCAENK-QQFZQELXSA-N	306.369	3.536	50	20	DHGD	
CCCN(N=Cc1cccc(COC)c1)C(=O)OC(C)(C)C	495676208	GEIJEBJSOCHPGS-UHFFFAOYSA-N	306.406	3.814	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1C#N	588580831	RNMZLLUKJCNSJJ-ZSOIEALJSA-N	312.332	3.574	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	730151906	TWBYGDZLGDAOKI-LFIBNONCSA-N	301.386	3.972	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1ncccc1Cl	734246253	INWGBEIVCBJYIQ-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
Cc1cc(OC(=O)C2(c3ccccc3F)CC2)ccc1[N+](=O)[O-]	735994506	RJRBTZNPNKOGRD-UHFFFAOYSA-N	315.300	3.680	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H](C)CCOc2ccccc2)c1	748362443	KUMAOIGQHNTXOT-INIZCTEOSA-N	312.413	3.852	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(C(=O)OC)[nH]2)cc1	748440691	MHNPUONZLYTIAB-PTNGSMBKSA-N	322.364	3.544	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1cccc2cnccc12	748769197	GBLZRZLLKOLUMU-KRWDZBQOSA-N	320.396	3.569	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(-c3ccccc3)ns2)cc1	749200574	NHRCCYCBMVJPAN-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)c2ccc(Cl)s2)cc1	750237705	BHOKYNZJPLYCGO-SECBINFHSA-N	310.806	3.657	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCCOC1CCC1	750770892	JJINCUYDDOVJRT-CYBMUJFWSA-N	304.477	3.813	50	20	DHGD	
N#C/C(=C/c1ccccc1C1CC1)C(=O)NCc1ccccc1	750817404	FBLNJIPHKZRECI-PDGQHHTCSA-N	302.377	3.787	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)c1cc2ccccc2o1	755759410	XWCQQUWJDSCBQG-CVEARBPZSA-N	304.349	3.952	50	20	DHGD	
CC(C)(C(=O)NNc1nccc2sccc12)C1CCCC1	757880741	OABNRZLVPPXCHP-UHFFFAOYSA-N	303.431	3.956	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc3ccccc3n2C)cnc1Cl	760211622	NXAPUROYHITOOH-JYRVWZFOSA-N	308.772	3.994	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc(F)c(Cl)cc1F	764303078	IDAXHLFLOCUGHT-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccccc2F)c(C(C)(C)C)n1	769550387	DNEZHFZJLKBBQZ-XFXZXTDPSA-N	311.360	3.647	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CC4(CCC4)C3)cc2C1	772838718	LTGDCXKBURXYTC-NSHDSACASA-N	302.443	3.923	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCc2sccc2C)c(C)c1	774303452	MFQSKLMNDGKSIH-UHFFFAOYSA-N	317.458	3.851	50	20	DHGD	
C#CCOc1cccc(Cl)c1C=NN(C)C(=O)OC(C)(C)C	777433185	XXCAMNVODPLVMO-UHFFFAOYSA-N	322.792	3.553	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccccc1C(=O)OC	780737614	ONFAPKVZCNINLX-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
CC[C@@H]1CCC[C@H](C=NNC(=O)Cc2ccccc2OC)C1	783832784	UUJSJYBSLGYYAU-CABCVRRESA-N	302.418	3.556	50	20	DHGD	
CCC(CC)(CC)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	787429600	ZNPJFJGIINBVEE-PTNGSMBKSA-N	300.402	3.632	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2F)o1	790096868	JHGVUDUTAITNSV-NTMALXAHSA-N	303.264	3.695	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)Nc1nccs1	790604295	QPZWXFOFSVGYLY-UHFFFAOYSA-N	303.174	3.599	50	20	DHGD	
CSSCCNC(=O)c1cccc(OCC=C(C)C)c1	791100772	WEGJQGXHVHLAAJ-UHFFFAOYSA-N	311.472	3.773	50	20	DHGD	
Cc1cccnc1NNC(=O)CCc1ccc2ccccc2c1	791223222	YXOKZLBPDPJDGG-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
C=CCN(CC(=C)CBr)Cc1ccc(OC)cc1	791445990	DQHLCFGZDGNKNI-UHFFFAOYSA-N	310.235	3.634	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccco2)on1	799758266	FDFKGMICWNWABO-UHFFFAOYSA-N	311.341	3.562	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OC2CCCCC2)c1F	800720721	GEUFIISVEWMAJM-RAXLEYEMSA-N	303.333	3.617	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)N(C)CC(Cl)Cl	808248324	GALOLUZROZVCBD-VIFPVBQESA-N	324.635	3.678	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1(F)CCCCC1	810719828	AJVHVYYGWRQKQW-UHFFFAOYSA-N	322.277	3.960	50	20	DHGD	
CC1(C)C[C@H](NCc2ccc(OCCCCl)cc2)CCO1	811485639	UXMYDHABLMYSFJ-OAHLLOKOSA-N	311.853	3.742	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ncc(C(C)C)s1	814806593	HRLWCUWHVURJHK-UHFFFAOYSA-N	302.403	3.731	50	20	DHGD	
CC(CCC1CCCC1)=NNC(=O)CSc1ccccc1O	814968692	BFQUHTINRDMVCK-UHFFFAOYSA-N	320.458	3.947	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)CSc1ccccc1O	814969333	MMHYXBPYPBWZHE-CYBMUJFWSA-N	320.458	3.947	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCCCOC(C)(C)C)cc1	822010438	CMDPNIHGBPSKRU-UHFFFAOYSA-N	307.438	3.641	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNC(=S)Nc1cccc(C)c1C	824125631	NEYXEDMPXPLZLI-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cnn(C(C)(C)C)c2)cc1	836433139	FBODJXACWJOIJR-UHFFFAOYSA-N	315.421	3.910	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cccc(CN2CCCCC2)c1	839485546	LUUULKFZEOZATL-UHFFFAOYSA-N	323.440	3.738	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CC1CCOCC1	844347514	JIJAKDFKBJTJBQ-MRXNPFEDSA-N	313.558	3.899	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccccc2Cc2ccccc2)O1	846464278	LNBCHNIHMLWWAC-PKOBYXMFSA-N	324.424	3.678	50	20	DHGD	
COc1ccc(CCCC(=O)NNc2ccc(C)c(F)c2)cc1	856229404	JAUBMCSWMISWSP-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C(C)(C)C)s2)cc1F	856230889	HAMAHHAHZJCFRM-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2ccc(Cl)cc2)C1)c1cn[nH]c1	863153954	JGPYOMMBMZDNEB-LBPRGKRZSA-N	316.792	3.507	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	899370745	AANGPUZXAHKGGE-GHXNOFRVSA-N	310.353	3.778	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2c[nH]c3ccccc23)C1	901126485	JENAQSYVGGHFDI-GFCCVEGCSA-N	301.415	3.559	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@@H](C)c1c(C)noc1C	918650163	FDZQYOXOHQKHTJ-VIFPVBQESA-N	322.796	3.641	50	20	DHGD	
CCCn1cccc1/C=C(\C#N)c1nc(C(=O)OCC)cs1	920397621	BQOUPEDZMOBXFU-FMIVXFBMSA-N	315.398	3.595	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1nccc(Cl)c1F	1116702673	WZCIRJKOGNAIIG-UHFFFAOYSA-N	319.767	3.510	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(F)c1C(=O)O	1595666856	VHYHNCPGKYXJGW-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
C[C@@H](CNCc1cccc(O[Si](C)(C)C(C)(C)C)c1)C(=O)O	1776427217	CRXPTTSTOOTGDS-ZDUSSCGKSA-N	323.509	3.881	50	20	DHGD	
CCC(=O)/C(C#N)=C\c1ccc(-c2ccc(C(=O)O)cc2)s1	1776675997	SHNMNHCZMANVNZ-LCYFTJDESA-N	311.362	3.999	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(/C=C\C(=O)O)o3)[nH]c12	1777448322	VSXOKDWECGPCNY-HVTAIUIQSA-N	319.320	3.626	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2cc(C)ccc2C)cc1	5112074	CBNWZCUHUMWOMZ-GZTJUZNOSA-N	321.376	3.962	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2nc3sc(C)c(C)c3c(=O)[nH]2)cc1	6210756	HPQARIYPSBNZDS-RIYZIHGNSA-N	321.405	3.974	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccccc2Cl)c1	59133161	SIGFVFPBSQZDIP-LCYFTJDESA-N	312.756	3.894	50	20	DHGD	
CSC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	75363963	UJQBCYNHBMJWIG-LLVKDONJSA-N	307.550	3.958	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2c(F)cccc2F)c1	118510816	DNUKXMFFBDJAOH-UHFFFAOYSA-N	306.312	3.511	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCOc2ccccc21	120482056	CMFXYWLASMUWAT-QGZVFWFLSA-N	322.408	3.575	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@@H](C)c2c(C)n[nH]c2C)c(C)c1	122901894	DIFDGXPILYMFGU-LLVKDONJSA-N	314.433	3.589	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc3[nH]c(C)c(C)c3c2)c1	150797876	PWHAUNXCQHOLME-UHFFFAOYSA-N	311.360	3.989	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152271906	MDCFBONUABVJIH-UHFFFAOYSA-N	322.412	3.551	50	20	DHGD	
COc1cc(C(=O)NNc2c(C)cc(C)cc2C)ccc1F	159828141	BVDVVLVLRKLYHU-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
CN(CCC1CCCCC1)C(=O)/C(C#N)=C\c1ccc(O)cc1	188355605	ZHJVUMUQCOXRCG-LGMDPLHJSA-N	312.413	3.728	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cn1	190262178	FCHXPAZKGYSGBE-NTEUORMPSA-N	311.410	3.698	50	20	DHGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	194532604	DBOGTSFNAHGFEB-GDNBJRDFSA-N	306.296	3.518	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(C(F)(F)F)cc1Cl	220696978	BANOEPRNOCIPKL-FPLPWBNLSA-N	318.682	3.741	50	20	DHGD	
CSc1ccc(C)c(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	490979383	YLLCZGVKVBFITA-NTEUORMPSA-N	324.405	3.968	50	20	DHGD	
C[C@@H](c1ccsc1)N1CCN(/C(=C\C#N)c2ccccc2)CC1	588467931	XYQBWTIYGGIHGS-WXRNRBFESA-N	323.465	3.991	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccccc1N1CCCCC1	728430508	BHFCRXJACFVIMI-UHFFFAOYSA-N	301.434	3.563	50	20	DHGD	
C[C@H]1CCC[C@@H](N2CCC(=NNC(=O)OC(C)(C)C)CC2)C1	733743189	IVPHKVOOYNNXGT-DZGCQCFKSA-N	309.454	3.542	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)c1c[nH]c2ccccc12	735270895	XYCVANOOZPILON-ZDUSSCGKSA-N	315.417	3.535	50	20	DHGD	
CC(C)c1ccc(CNC(=O)NNc2c(F)cccc2F)cc1	735757352	LTPAESDTKLGGQG-UHFFFAOYSA-N	319.355	3.915	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2c(F)cccc2F)cc1	735759741	VPPXJLPSHUITTA-NSHDSACASA-N	305.328	3.661	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cc(Cl)ccc1O	737426552	AVRXLNFPTKEGEG-LLVKDONJSA-N	306.793	3.732	50	20	DHGD	
CC(=NNC(=O)NC1CCCCC1)c1cnc2ccsc2c1	739401133	YJCBSOJHNKTCCM-UHFFFAOYSA-N	316.430	3.652	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1cccc(C(F)(F)F)n1	740141971	ZUYXVWQTMLNMNX-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
Cc1cc(OC(=O)Cc2c[nH]c3c(C)cccc23)ccc1[N+](=O)[O-]	741175556	JHJOQCXTOPVATA-UHFFFAOYSA-N	324.336	3.841	50	20	DHGD	
COc1ccc(C=NNC(=O)C(C)(C)C)cc1OCCC(C)C	747611408	SJBZODANSVDWQU-UHFFFAOYSA-N	320.433	3.616	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1ccc(F)cc1F	749529785	AUYZUENOPIQUDV-INIZCTEOSA-N	320.339	3.574	50	20	DHGD	
O=C(NN=Cc1ccccc1C1CC1)c1ccc2ccccc2n1	751128137	XCJNRVNSZNPCGZ-UHFFFAOYSA-N	315.376	3.876	50	20	DHGD	
CC(C)=C(C)C(=O)NNc1c(F)cc(F)cc1Br	751394676	JDYFFVABCHIXGD-UHFFFAOYSA-N	319.149	3.527	50	20	DHGD	
O=C(NN=C1CCC2(CCOCC2)CC1)c1cccc(Cl)c1	751523437	VZVSXWCRXRFUCM-UHFFFAOYSA-N	320.820	3.797	50	20	DHGD	
C[C@H](CN(C)C(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1	751945059	KTCNGPWKPDTIGZ-PWDRBQJJSA-N	322.383	3.995	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	753683555	UTCUHRFWVWXUNW-UXBLZVDNSA-N	315.678	3.995	50	20	DHGD	
CC(C)CC(=O)NNC(=O)Nc1ccccc1-c1ccccc1	755393091	SNKSEKTXEIADCR-UHFFFAOYSA-N	311.385	3.552	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)c1ccc(F)c(F)c1	767330405	RUDQQZCCKVSHBX-NSHDSACASA-N	320.177	3.737	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccccc1C(F)(F)F	769437622	XGUZMTMMZNWREC-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
C[C@@H](CBr)CN(CCc1ccc(F)cc1)C1CC1	770654953	VRBQCHZCWIENBH-LBPRGKRZSA-N	314.242	3.864	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNc1nccnc1C(C)C	770785357	PQPVZQHFCZAHAC-UHFFFAOYSA-N	324.388	3.538	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2COc3cc(C)c(C)cc32)c(C)c1	771421308	BIIFYHUQUFMGHA-QGZVFWFLSA-N	324.424	3.848	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)CCOc1ccccc1	771707030	NHHPDHDQSKTBCP-AWEZNQCLSA-N	316.376	3.682	50	20	DHGD	
CC(C)C[C@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	781096042	DOGUGPMHVVWKSI-VXGBXAGGSA-N	304.272	3.691	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncccc2Cl)c(Cl)c1C	783652422	VQRKYXLVYTVZGV-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
COc1cccc(CCCOC(=O)/C(C#N)=C/c2ccccc2)c1	785352257	VTODWJWJPLJNSV-QGOAFFKASA-N	321.376	3.778	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCC#Cc1cccc(Cl)c1	785378913	URXLMLNFXGUTPH-SFQUDFHCSA-N	321.763	3.842	50	20	DHGD	
CSSCC/N=C\c1cc(Br)ccc1O	790574576	NDKXOKXWNQHBRI-GHXNOFRVSA-N	306.250	3.585	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3cccc(Cl)c3)ccc2o1	792045940	WIXGTBOIZOXDCR-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
C[C@@H]1OCC[C@H]1COC(=O)CCCC[C@H]1CCSS1	793438425	ROTMUUYSFUOCLF-AVGNSLFASA-N	304.477	3.669	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1c(Cl)ccc2c1CCO2	797666504	UPYKZHNSDUIRQX-UHFFFAOYSA-N	321.739	3.563	50	20	DHGD	
COc1ccc(C(=O)NN=C(CCC(C)C)C2CC2)cc1OC	802704486	RFUYXFZSRIBPBK-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(C)c(Cc2c(F)cccc2F)s1	806553043	FPRQNPBMIDHPIZ-DHZHZOJOSA-N	305.353	3.534	50	20	DHGD	
CC[C@@H](CNCc1ccc(OCCCCl)cc1)N1CCCC1	811473473	AIMLINTZWDANNU-KRWDZBQOSA-N	324.896	3.658	50	20	DHGD	
CC1(C)C[C@@H](NCc2ccc(OCCCCl)cc2)CCO1	811485638	UXMYDHABLMYSFJ-HNNXBMFYSA-N	311.853	3.742	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1Cl)c1ccc([N+](=O)[O-])cn1	812244560	DWUAZNWZOVKDLY-BJMVGYQFSA-N	303.680	3.846	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CNc1ccc(C#N)cc1	812768893	MAXAWPFWBPNXNR-UHFFFAOYSA-N	322.412	3.545	50	20	DHGD	
CC[C@@H](C=NNC(=O)CCOc1ccccc1)c1ccccc1	814823777	WCIBTBRUEJBCGO-INIZCTEOSA-N	310.397	3.751	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)CCCc1ccccc1	814834076	YLQQXAOVAADGTR-MRXNPFEDSA-N	311.429	3.831	50	20	DHGD	
CC(C)(CC(=O)NNc1ccccc1C(F)(F)F)C1CC1	814889072	YAFUEPWWZNZCMM-UHFFFAOYSA-N	300.324	3.975	50	20	DHGD	
COC(=O)c1cc(NNC(=O)CCCC2CCCC2)ccc1C	816688127	DVONUIVTDYVBAO-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	817913582	KNBFRAAFLCOMBR-SOFGYWHQSA-N	315.587	3.856	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccccc2C(F)(F)F)cc1	817921395	VLGMWMKOIAXYJE-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cccc3cccnc23)cc1	818238875	QERVSHYYVOAOEM-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1ccc(C#N)cc1	819411989	SDHLBYCBYPZZQT-INIZCTEOSA-N	307.397	3.579	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CC[C@H]2CC2(Cl)Cl)c1	830821265	QAKNRSDPFAGVNG-VIFPVBQESA-N	305.180	3.551	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccnc(C2CC2)c1	836933001	FSXBUZDRGYSSFZ-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
Cc1nn(C)cc1CN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844335635	HKGPFKNRPRMUMS-MRXNPFEDSA-N	323.557	3.715	50	20	DHGD	
CC(F)(F)C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	897968906	ZUUIYZUWDKXGJX-NSHDSACASA-N	307.457	3.654	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncccc2C(F)(F)F)cc1	915053204	GIQRGZUWMLNAFW-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(OCc2ccccc2)cc1	916291202	SXOPVHGCPQILPZ-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@@H](C)C(=O)c2ccccc2)cc1	916603704	GCLZZBGJBTVAGT-BRFSQIRFSA-N	319.360	3.717	50	20	DHGD	
CCSc1cccnc1C(=O)NNc1c(C)cc(C)cc1C	1261259918	WXDKNGXWGADAKS-UHFFFAOYSA-N	315.442	3.876	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H]([C@@H]2CCCCO2)C1	1335982595	SOOLEWTUIVNUCK-SJORKVTESA-N	321.848	3.847	50	20	DHGD	
O=C(N[C@H](C1CCC1)[C@@H]1CCCO1)c1cccc(CCl)c1	1339118536	WMTSSEYKHOCNEX-JKSUJKDBSA-N	307.821	3.503	50	20	DHGD	
Cc1c(Cl)c(C(=O)O)nn1CCO[Si](C)(C)C(C)(C)C	1600012561	MHOKOOBCLLYZIY-UHFFFAOYSA-N	318.877	3.565	50	20	DHGD	
C=CC1(CC(=O)NNc2ccc(C)c(C(=O)O)c2)CCCCC1	1602828606	LIGATKVNMDDECY-UHFFFAOYSA-N	316.401	3.663	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)o1)c1nc(-c2ccncc2)cs1	1610619186	RNGWKZPCAWJDOQ-YRNVUSSQSA-N	323.333	3.560	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccccc1OC(F)F	7714342	YTVPLTXFBMWGFT-XYOKQWHBSA-N	303.264	3.979	50	20	DHGD	
N#Cc1cc(Cl)nc(NNC(=O)CCCC2CCCCC2)c1	93295127	LFSQFXKXJSBRNB-UHFFFAOYSA-N	320.824	3.800	50	20	DHGD	
O=C(CCCc1ccc(Cl)cc1)NNc1ncccc1Cl	114886007	RVFFBPTWCZUCIN-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(Oc2cccnc2)cc1	153001510	XKKCLGDFKRIYIJ-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCOc1ccccc1C(=O)NNc1ccc(C(F)(F)F)cc1	153654250	NDXZRMPELYNJDC-UHFFFAOYSA-N	324.302	3.861	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(C(F)(F)F)c1	160756529	BTKAZFJGEIRWRJ-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCc1ncsc1C(=O)NNc1ccc(Cl)cc1Cl	162959738	MARYLKZNYLGJDM-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
C[C@H]1CSCCN1C(=O)CCCC[C@@H]1CCSS1	172453476	DVJBBTCGKXQIES-NWDGAFQWSA-N	305.534	3.664	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O[C@H](CC)CC#N)c1C	187906959	CRRVKBTXEATPDW-ABPVARSCSA-N	313.401	3.657	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	191763690	DLPMYFSPPGPFIB-NTEUORMPSA-N	321.398	3.853	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ncccc2C)c1C	192714403	UHDGIBVXCCLJNS-GZTJUZNOSA-N	322.412	3.764	50	20	DHGD	
COCCOC(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	205667590	RTTMLWUZHCECDQ-VBKFSLOCSA-N	323.348	3.575	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc2ccccc2c1O	254396414	OBTILXGLLUXOLJ-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2ccc(C(F)(F)F)cc2)CC12CCCC2	295305332	KFAICDAVRKIIOW-OAHLLOKOSA-N	323.318	3.623	50	20	DHGD	
CN(CCOCc1ccccc1)C(=O)c1cccc(CCl)c1	383783825	URSUKPGWJDLONR-UHFFFAOYSA-N	317.816	3.714	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1cccc(O)c1	727781091	DIEWQXQUOCXKBB-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)NC1CCCCC1	735028728	NVWKGNJPJAVNHK-AWEZNQCLSA-N	311.470	3.646	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cn(C)c3ccccc23)cc1	744781128	OKBPSBCRJIRXHX-UHFFFAOYSA-N	323.421	3.664	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1ccccc1C	748737440	VITBZHZLNVYGEA-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
C[C@H](OC(=O)CCCC[C@@H]1CCSS1)c1cnccn1	751155154	APLXESNTYJIUFE-NWDGAFQWSA-N	312.460	3.795	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1ccccc1[N+](=O)[O-]	751537031	QPMGSKPYFUSYOC-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1ccccc1C(=O)OC	752755115	LHOYICALZZESCX-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
O=C(CCn1ccc2cc(Cl)ccc21)NNc1ccccc1	759655648	QDEUGQUKPZQXGS-UHFFFAOYSA-N	313.788	3.828	50	20	DHGD	
CC(=NN(C)C(N)=O)c1ccc2c(c1)Nc1ccccc1S2	767909888	VTXPJAOSZCXDGH-UHFFFAOYSA-N	312.398	3.629	50	20	DHGD	
Cc1ccsc1C=NNC(=O)[C@H](C)Oc1cccc(Cl)c1	773094887	MBPDCTMXJPTLGJ-NSHDSACASA-N	322.817	3.628	50	20	DHGD	
CS[C@@H](C)CCC(=O)NNc1ccc(C(F)(F)F)cc1	773492907	PNDZKCBYHCZHOP-VIFPVBQESA-N	306.353	3.680	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cnc2ccccc2n1	774771286	XFBKHYGXNURHML-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2ncc(Cl)cc2Cl)C1	775272226	BIWUWAFNBSFXTR-MOIHINDBSA-N	300.189	3.578	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@H]1C=CCCC1	779012875	WVEJWURFOYHNNV-LBPRGKRZSA-N	323.234	3.947	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2ccc(OC)nc2)cc1	780146178	FPSJAVVBAIPTCZ-BOPFTXTBSA-N	306.365	3.833	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3c(c2)COC3)cc1	780806311	JCXMZGSKWTVDMR-UHFFFAOYSA-N	310.397	3.771	50	20	DHGD	
C[C@H]1Cc2ccccc2N1C(=O)[C@H](Br)C(C)(C)C	781069811	FOBXRDISYAWDPR-GWCFXTLKSA-N	310.235	3.774	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)NCc1cccc(C)c1	786049094	FLRUCWQEZZNLEX-WQRHYEAKSA-N	320.392	3.535	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788332699	UCWDNGGEPKIBOW-QPEQYQDCSA-N	307.378	3.733	50	20	DHGD	
C#CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	790966857	XGSILMSZVYWMDE-QGOAFFKASA-N	323.440	3.609	50	20	DHGD	
CCOC1CC(CC(=O)NNc2cc(Cl)cc(Cl)c2)C1	791732041	ICRGBFIOVJQNHL-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2[N+](=O)[O-])c(C)cc1Cl	792776149	GUYRWSGCGSHWIP-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
COc1cc(NC(=O)NNc2ccc(F)cc2)c(C)cc1C	797675916	AIMCSMOOCJTRFM-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1nccnc1C1CCC1	805464698	DMHRNZOMOLKQTG-CQSZACIVSA-N	324.428	3.689	50	20	DHGD	
O=C(CC1CC1)NN=Cc1cc(C(F)(F)F)ccc1Cl	814987678	YOEJEYHGRRLMML-UHFFFAOYSA-N	304.699	3.609	50	20	DHGD	
Cc1ccncc1CCC=NNC(=O)Nc1ccc(Cl)cc1	815005298	WAGLQXOPQGOALU-UHFFFAOYSA-N	316.792	3.784	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2ccc(Cl)cc2Cl)o1	815850590	SLSZEPXSAAKASE-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2C[C@@H](C)CC[C@@H]2C)cc1OC	834929614	QSMBZMGBFUFJDA-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H](C1CC1)C(F)(F)F	836620026	SASRIRYOONQZJI-NSHDSACASA-N	321.730	3.615	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CC12CCSCC2	836934806	HPPHHSBAOHHCRQ-LLVKDONJSA-N	310.850	3.625	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)N(C)CC(Cl)Cl)cc1	848081486	ABLBGSHXHIBSQK-SNVBAGLBSA-N	304.217	3.740	50	20	DHGD	
Cc1cccc(NNC(=O)Nc2ccc(C)c(OC(C)C)c2)n1	861023147	GKXSSPCORGPQQK-UHFFFAOYSA-N	314.389	3.634	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc(F)c(F)c1	899892118	DAWMRWMOQZUCEQ-UHFFFAOYSA-N	307.252	3.709	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1Cl)NC1CCCCC1	916299567	POMYLPVLVCXGLR-UHFFFAOYSA-N	314.216	3.959	50	20	DHGD	
O=C(CCc1nc2ccccc2o1)NNc1ccc(Cl)cc1	916713002	LCIIRRQRAQAIDK-UHFFFAOYSA-N	315.760	3.557	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)cc(Cl)c1O	918713739	MWYDTQMHRVBHBC-VZUCSPMQSA-N	307.777	3.966	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC(C)(C)C)c1C	919872542	JZFHGQVMSUDIMK-MHWRWJLKSA-N	301.434	3.584	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(OC(C)C)c1	921265646	OFFKKFZDIJYHMV-LFIBNONCSA-N	300.402	3.687	50	20	DHGD	
BrC[C@H](CN[C@@H](c1ccncc1)C1CC1)C1CC1	934702340	WHMIPMLRBZGWMG-HUUCEWRRSA-N	309.251	3.543	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2ccccc2C)cc1C(=O)OC	1116935799	OCDTYZJFKWMGMK-UKTHLTGXSA-N	323.348	3.727	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc(N3CCCC3)cc2)ncn1	1320847912	KEWALIVODXTEMI-GDNBJRDFSA-N	322.437	3.863	50	20	DHGD	
O=C(NN=CC1CCC(c2ccccc2)CC1)[C@@H]1CCCCO1	1325321060	ZIYZUKLYSODGDF-VJFUWPCTSA-N	314.429	3.632	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C\C(=O)O)o1)c1ccc2ccccc2n1	1777566097	LNUYHEVMBASHDB-IMDQSJHYSA-N	316.316	3.990	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cccc(Cl)c2)cc1	13114185	DDFXDCRIPWXMCJ-UHFFFAOYSA-N	304.802	3.826	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)c1nc2ccccc2[nH]1	26133082	XJBCLJLKPBHBRC-NTCAYCPXSA-N	311.348	3.813	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(F)c(F)c(F)c2)c1	102714001	GHSVIAKMJKGURS-XGICHPGQSA-N	317.266	3.902	50	20	DHGD	
O=C(OCc1ccccc1)N1CCC[C@@H]1c1cc(CCl)[nH]n1	107500198	URQFCSNAHYTTNF-OAHLLOKOSA-N	319.792	3.622	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ncccc1Cl	114885585	LIRWAZLYKUWNPM-ZDUSSCGKSA-N	321.833	3.749	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2ccc(Cl)cc2)c1	120128184	RWSOPMRRBXPZPP-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	124255005	HOIILRFDZYDOHC-SNVBAGLBSA-N	318.343	3.545	50	20	DHGD	
C[C@H](CBr)CN1CCC(OC2CCCCC2)CC1	133700327	ZPTLCWDYCKREGP-CYBMUJFWSA-N	318.299	3.831	50	20	DHGD	
O=C(NNc1ccccc1F)c1csc(-c2ccccc2)n1	152954721	DSAQZUNIWPGRPT-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	170968377	MRTUHFWTICROJK-PTNGSMBKSA-N	306.296	3.518	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ccsc1	181299946	CTYWBVCVDALNQJ-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
O=C(C[C@H]1CCCOC1)NN(c1ccccc1)c1ccccc1	192517168	ZKQZOSMPPXZAIL-MRXNPFEDSA-N	310.397	3.673	50	20	DHGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)NCc1ccco1	213359252	LLPLVGNZSKOBIZ-WQLSENKSSA-N	320.270	3.522	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1cccnc1Cl)c1ccccc1	255335359	PTZLZJSVFQORMR-XBUHWIKASA-N	311.772	3.519	50	20	DHGD	
Cc1cccnc1NNC(=O)C1(c2cccs2)CCCCC1	276797450	XQYVFVMGUFSGLS-UHFFFAOYSA-N	315.442	3.797	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(C2CC2)cnc1Cl	281641432	QSWFCYLTSYAQMU-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCCC(F)(F)C1	282866138	XRGLWSNCYOBYBP-LBPRGKRZSA-N	305.328	3.503	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(C)nc2)c(C)c1	490879482	RLXMCDGGXYLFII-MFOYZWKCSA-N	305.381	3.861	50	20	DHGD	
O=C(/C=C\c1cccc(O)c1)NNc1ccc(Cl)cc1Cl	492665886	FFZLKYFFLDSFKR-DAXSKMNVSA-N	323.179	3.856	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)c1nc2ccccc2[nH]1	588558344	OVDAYHKBARVWOS-FLIBITNWSA-N	323.739	3.979	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc2ncccc12)c1ccccc1	730146412	VIGPRSRYOFXCLH-CQSZACIVSA-N	303.365	3.754	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)Cc1ccc(F)cc1	730551865	DINYOGPDJQLZSX-UHFFFAOYSA-N	324.355	3.827	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)c1ccnc(N(C)C)c1	731561729	UGONRTRFPFFJJI-UHFFFAOYSA-N	304.438	3.614	50	20	DHGD	
CC(=O)c1ccc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)cc1	731966472	KDOAAVNBTDODOD-UHFFFAOYSA-N	313.309	3.633	50	20	DHGD	
CC(C)C(=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	733902536	VBMYKFXJWZMGIN-UHFFFAOYSA-N	317.389	3.917	50	20	DHGD	
C=C(C)COc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC	747040187	MGLSHOOIINIWDL-UHFFFAOYSA-N	320.389	3.509	50	20	DHGD	
CCc1ccc(O)c(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747590699	DJYQTQDXURMTPA-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CCc1ccc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	754544384	XKJLGVVFRYNPST-GZTJUZNOSA-N	307.349	3.605	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)Cc2ccc(Cl)cc2)s1	758371407	KAQAQMFDRGHCGU-UHFFFAOYSA-N	321.833	3.613	50	20	DHGD	
Cc1cc(CNC(=O)NNc2ccc(F)cc2)ccc1Cl	758746330	YUPZQNHKJFHMQV-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
CC(C)CCc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	765169685	KIFGVQASGWOZGN-UHFFFAOYSA-N	321.421	3.836	50	20	DHGD	
C[C@H](C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)CCC#N	765994749	KFEWKYYSRPUFBH-LSDHHAIUSA-N	323.396	3.649	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCN(Cc2cccc(F)c2)CC1	767041453	LSEIJOAWHLNSOI-AWQFTUOYSA-N	321.399	3.508	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(F)c(Cl)c1	768120098	QFBFYCPUQMKGGV-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ncc(Cl)s1	768191669	NUOIBSMGZZGEMT-LURJTMIESA-N	311.632	3.545	50	20	DHGD	
Cc1ccoc1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	775638994	JVPXMWZAXVCBLH-DHZHZOJOSA-N	303.264	3.979	50	20	DHGD	
CCCC(CC)=NNC(=O)c1ccc(F)cc1Br	776180503	NSMMJZORJUTXGQ-UHFFFAOYSA-N	315.186	3.884	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1c(Cl)ccc2cccnc12	781121761	GGMITLCTZOVPJI-UHFFFAOYSA-N	303.793	3.775	50	20	DHGD	
O=C(CCc1ccccc1)NN=C1CCC[C@@H](C(F)(F)F)C1	783514126	ZJICIYDXVFNWJM-CYBMUJFWSA-N	312.335	3.844	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1cc(Cl)ccn1	790859476	PYCYDMFGKBRBFE-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NCCSSC	791116023	DDVLACZUHGPRFW-NSHDSACASA-N	319.879	3.625	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ccnc(F)c3)sc12	809756110	QZLATMXIBKFUES-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccn(C(C)C)n1	812768992	PMNIWDHFNMFDRX-UHFFFAOYSA-N	300.406	3.653	50	20	DHGD	
CSCc1ccc(NC(=O)NNc2cccc(Cl)n2)cc1	814629762	FNIRIXKPKMUNII-UHFFFAOYSA-N	322.821	3.747	50	20	DHGD	
CC1(C)CN(/C(=C\C#N)c2ccccc2)C[C@@](C)(C(F)(F)F)O1	815148387	VCIJYDWPFPLFBK-MBSJSRAVSA-N	324.346	3.983	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3cccc(F)c3o2)cc1	817925962	YMUWTUXOQVBJOF-UHFFFAOYSA-N	314.316	3.728	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1ccnc(Cl)c1	825002451	CXVJRPHJNRJLLN-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1nc(C(C)C)oc1C	836936294	HZQHLFLGURBQLG-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc(Cl)c1Cl)C(F)(F)F	838350318	UJTJKKRTVSWHDN-YFKPBYRVSA-N	301.095	3.635	50	20	DHGD	
CS[C@@H]1CC[C@@H](NC(=O)NNc2ccc(C(C)C)cc2)C1	838495108	MMNMGSJDNAVTAZ-HUUCEWRRSA-N	307.463	3.720	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)n1c(C(C)C)nc2ccccc21	840722762	OCWADUHXCYVVMI-OQLLNIDSSA-N	305.385	3.723	50	20	DHGD	
Cc1ccccc1C1(C(=O)N(C)CC(Cl)Cl)CCC1	848084391	ODTYCKUTEOLIAF-UHFFFAOYSA-N	300.229	3.679	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2cccnc2[N+](=O)[O-])C1	853897232	ARWSTIRNZZKPAM-GFCCVEGCSA-N	323.469	3.590	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)c1nc(C)cs1	854335357	FNVDAPLJEYYSSG-GFCCVEGCSA-N	303.431	3.569	50	20	DHGD	
C[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F	859413406	GQQZDCCKYQUGPZ-ATHKEBROSA-N	321.327	3.682	50	20	DHGD	
CCC[C@@H](OCC)C(=O)NNc1cc(Cl)cc(Cl)c1	861296709	DAARQPINNMFBMU-GFCCVEGCSA-N	305.205	3.642	50	20	DHGD	
CSCCc1ccc(NC(=O)NCC(Cl)Cl)cc1	878579353	INCUWZFOLJFWAZ-UHFFFAOYSA-N	307.246	3.517	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@H]1CN[C@H]1CC2(CCOCC2)Oc2ccccc21	896033563	LCWFEWMPTJENCX-QEWYBTABSA-N	321.848	3.522	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)o1	899344240	OIXOLJZDWBOOGG-WQLSENKSSA-N	318.398	3.949	50	20	DHGD	
Cc1nc(C)c(CNC(=O)NNc2ccc(Cl)c(C)c2)s1	920480458	FVFMWBOCCGKXBP-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
O=C(NN=C1CCc2c(Cl)cccc21)c1c[nH]c2ccccc12	921251213	FGNLUVAUVGKLKZ-UHFFFAOYSA-N	323.783	3.902	50	20	DHGD	
Cc1cc([C@H](C)NC[C@@H](CBr)C2CC2)c(C)o1	1118815273	GOVYWUCIGVWRCD-GXFFZTMASA-N	300.240	3.968	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1595663415	VYFKNUUKOLVZHE-CQSZACIVSA-N	320.433	3.989	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1cccc(F)c1C(=O)O	1595694861	JGSXZAMUCBGIPX-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc([N+](=O)[O-])c2)c(C)c1	6209812	RWVLNGLPXVVZGS-OQLLNIDSSA-N	321.336	3.757	50	20	DHGD	
Cn1cccc1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1Cl	28941730	RURSRZHPDLDDAT-CSKARUKUSA-N	320.179	3.878	50	20	DHGD	
COc1cc(CC(=O)NNc2cccc3c2CCCC3)ccc1C	119957793	JVIONYXTHLVLCX-UHFFFAOYSA-N	324.424	3.568	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1ccccc1Cl	129425874	CQZVRVYJFFDTTO-UHFFFAOYSA-N	306.753	3.662	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3cccc(F)c3o2)c1	150820728	UVWUHWVJTSPZQM-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2F)ccc1Br	152648870	KUZAUFHFZDPJAQ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1	194535776	HPFKXXWWBZNHNV-GIDUJCDVSA-N	313.303	3.901	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(-c2csc(C)n2)cc1	211132621	VMNYFWQQYMTGIO-LCYFTJDESA-N	313.382	3.501	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2sccc2C)c2ccccc2n1	254772446	WEJCVPSCJOBYMU-UHFFFAOYSA-N	309.394	3.677	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2coc3ccccc23)cc1	255014421	YUQSYQHZZKWFIN-YBEGLDIGSA-N	316.360	3.965	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2F)c(C)c1	490754203	NCYMDUVILMWXIO-CXUHLZMHSA-N	319.339	3.860	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)ccc1C	588597095	LYWWKANDVJVOHM-GZQZNAIASA-N	320.392	3.788	50	20	DHGD	
CCOc1ccc(C=NNC(=O)CCCc2ccccc2)cc1	727689675	ZDWLPHXYXRJJBW-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)COc1ccc2ccccc2c1	727778162	ZZMNWJOZCYCCTP-CQSZACIVSA-N	310.397	3.923	50	20	DHGD	
CC[C@H](CC(=O)NNC(=S)Nc1ccc(C)cc1C)C(C)C	729687849	BFSQYZAEZSHSMI-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCF)c(C)n1CCC(C)C	741445142	OCVWPIUVATUAGA-GZTJUZNOSA-N	320.408	3.961	50	20	DHGD	
O=C(/C=C/C1CCCCC1)NNC(=O)c1cccc2ccccc12	741576725	ZDRRQYICVCPANI-BUHFOSPRSA-N	322.408	3.737	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](CC(C)C)c1ccc(Cl)cc1	741648932	RCVWWBNSCNRSEW-UKYUDJEDSA-N	320.820	3.987	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNC(=S)Nc1c(C)cccc1CC	748855319	LPNYLYGJTZEXRS-GFCCVEGCSA-N	321.490	3.701	50	20	DHGD	
CC(=NNC(=O)C(C)C)[C@H](C)Oc1ccc(Cl)cc1Cl	749854316	MDUVYYZTHNWULU-JTQLQIEISA-N	317.216	3.909	50	20	DHGD	
C=CCCC(CC)=NNC(=O)[C@@H](C)Oc1cccc(C)c1C	750931954	WUNDLILCVBUUCY-OAHLLOKOSA-N	302.418	3.919	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3cccc(F)c3)cc2s1	762138869	NKFKOKPOXRMABT-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
O=C(CCc1nccs1)NNc1c(Cl)cccc1Cl	763624473	OTCQGDHKJFOGSA-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CC(C)C(=O)NN=Cc1ccc(OCc2ccc(F)cc2)cc1	764659640	MOJJHGJMXJICOM-UHFFFAOYSA-N	314.360	3.511	50	20	DHGD	
CCC[C@@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768255060	ZTMOHNGSTXCHPY-NEPJUHHUSA-N	304.272	3.835	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCC(C)(C)C2)cc1	769153766	LZFCNJFDYNDZAZ-UVQBRAAOSA-N	312.413	3.687	50	20	DHGD	
C[C@H](CBr)CN(Cc1cccc(F)c1)C1CC1	770647238	AKWAZSJURZRBEN-LLVKDONJSA-N	300.215	3.821	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)C(F)=C1CCCC1	779203954	MIJQRDFIKDPVHL-UHFFFAOYSA-N	318.270	3.826	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)c1cc2c(s1)CCC2	782151933	KMVLQYWLFIIMNX-UHFFFAOYSA-N	310.831	3.716	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc(F)cc(F)c2)cc1	782243586	UZNZJNPMIJPULB-UUASQNMZSA-N	313.303	3.924	50	20	DHGD	
COc1cc(NNC(=O)Nc2cccc(F)c2C)ccc1Cl	788625941	JVCFEXLQVBDWOK-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)C1CCC(F)(F)CC1	788704796	QSAAATNGKRWKFP-UHFFFAOYSA-N	312.335	3.686	50	20	DHGD	
CC[C@@H](C)CC(=O)NNc1ccc(Br)cc1Cl	790803471	IUKISXKEJGLKIU-MRVPVSSYSA-N	319.630	3.982	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	794684443	BKHKXWWRWVQCQE-VZUCSPMQSA-N	324.771	3.653	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1cc(C)ccc1C	797949367	QAWOOASGFPQTDM-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
Cc1cc(NC(=O)NNC(=O)CC2CCCC2)cc(C)c1Cl	799517334	FBJYCEOICJKRGR-UHFFFAOYSA-N	323.824	3.690	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cn1	806564695	GCWKAUTVSWBZMV-RIYZIHGNSA-N	308.341	3.746	50	20	DHGD	
O=C(COc1ccccc1-c1ccccc1)NCC(Cl)Cl	808128864	HBCADWUBVONGRR-UHFFFAOYSA-N	324.207	3.652	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2cccc(Cl)c2F)c1	810046450	OWOBLWGLYMBPCW-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
CC(Cc1ccc(F)cc1)=NNC(=O)c1ccc(O)c(Cl)c1	814849451	WBQIIGNLJFREIU-UHFFFAOYSA-N	320.751	3.533	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)CC2CC2)c(OCCC)c1	814989919	UTIAABGGHXYDCH-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3ccccc3F)c2c1	815850891	HVWYDYMPCJOQIR-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2cc(Cl)ccc2Cl)C1	815853269	DHQFOESINUKDDN-GXSJLCMTSA-N	317.216	3.642	50	20	DHGD	
COc1ccc(C(=O)N(C)CC(Cl)Cl)c2ccccc12	816628347	RRSXVZHXZPRNLQ-UHFFFAOYSA-N	312.196	3.724	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1snc(Cl)c1Cl	816844840	RLNCLYBDBMSDDG-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(F)cc1	834421040	NWHVKOUUFKMROB-OJLMPMFISA-N	311.360	3.748	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cc2c(s1)CCC2	836933356	VCNGQUPQZFEMIE-UHFFFAOYSA-N	306.818	3.956	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cc(C(C)(C)C)on1	836934355	VHLRHPKBNACEQD-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2noc3c2CCCCC3)cc1	837057999	IPNALXXKLAHFRD-UHFFFAOYSA-N	313.401	3.824	50	20	DHGD	
CC(C)(C)OC(=O)[C@@]1(C)CCN(/C(=C/C#N)c2ccccc2)C1	839105933	WRXAWIYSCCZUGR-XLCPLWEUSA-N	312.413	3.605	50	20	DHGD	
COc1cccc(SC)c1NC(=O)NCCSSC	841828039	UBRDLWLXSUQIPU-UHFFFAOYSA-N	318.489	3.550	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(O[C@H]2CCOC2)cc1	849177959	APLXDUAKIZBGIX-HKBKRHGFSA-N	313.397	3.767	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2ccc(CO)cc2)C1	852524319	JGOFDCPDVSJUDR-KRWDZBQOSA-N	321.537	3.775	50	20	DHGD	
N#CSCCCNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	854360529	ZPFUXDGHAQVZRV-HZPDHXFCSA-N	302.443	3.681	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cc(Cl)ccc1F)c1ccccn1	871271781	YSHWMYOSARDLDL-GFCCVEGCSA-N	321.783	3.901	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)C2CCOCC2)cc1C	871665421	LENYOSZRNVXHIW-SFQUDFHCSA-N	313.397	3.687	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1cccc(COCC2CC2)c1	878465804	GLXOZBWOVPXPFP-UHFFFAOYSA-N	317.216	3.538	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1ccc(Cl)cc1F	885106635	DGSBLTDSKPYRGK-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
COC(=O)CN(C)Cc1cccc(S(F)(F)(F)(F)F)c1	891637256	AQGQSNDBEXLERH-UHFFFAOYSA-N	319.295	3.949	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2ccc(F)cc2)c(C)c1	915256410	OLVPEPCQJQIOKH-UHFFFAOYSA-N	301.365	3.577	50	20	DHGD	
CCC(=O)NN=Cc1cn(Cc2ccccc2)c2ccccc12	915916355	DQAKUUYSWICTNZ-UHFFFAOYSA-N	305.381	3.550	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccccc1OCc1ccccc1	915966876	XBIJLTBSLMNHSP-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1cc(F)ccc1F	916351022	WZQVKTXWHINPFU-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cncn1-c1ccccc1	1116884141	DEPNRVSGQOBDAO-LSDHHAIUSA-N	324.428	3.804	50	20	DHGD	
CC(C)c1nc(CNC[C@@]2(C)C[C@H]2Br)cs1	1347920213	SGCJSFGVHARSSK-ZYHUDNBSSA-N	303.269	3.530	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCCCC2)c1C	69131459	UNSNHUOQGRZBAC-AQTBWJFISA-N	313.445	3.825	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	111680258	VHDKZCIGQCMRBV-KAMYIIQDSA-N	310.328	3.770	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1ccccn1)c1ccccc1Cl	115686786	SHDKXDXLOIIYML-OAHLLOKOSA-N	318.808	3.758	50	20	DHGD	
Cc1nccc(NC(=O)NNc2cccc(Cl)c2)c1Cl	121464099	NWSBJAGCJFXYHV-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2ccccc2[nH]1	121753452	JHQPKALNCPYIQN-UHFFFAOYSA-N	317.295	3.526	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)Nc1ccccc1	142940315	FWFZRKVKRVDCPH-UHFFFAOYSA-N	306.163	3.598	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1ccc(Cl)c(Cl)c1	154679351	LVNOBBFJSOFOOJ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
FC(F)CO[C@H]1CCCCCC[C@H]1I	158530614	AOXMWEXSEGGQQI-BDAKNGLRSA-N	318.145	3.795	50	20	DHGD	
CCc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1[N+](=O)[O-]	158737672	AKFPBXBJCZFJOJ-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
Cc1cc(C(=O)NNc2ccncc2)c(C)n1C1CCCCC1	180501606	FCVVRTWAORJDPP-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CC(F)F)c1C	182497336	NCFSRBXKBTVYJB-OQLLNIDSSA-N	323.387	3.536	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(Br)c1	213151100	BYNAHWYLNWKCHK-XYOKQWHBSA-N	308.175	3.699	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1Cl)c1ccccc1F	252627786	SBLTZAHZDSJONZ-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	aggregator
Cc1ccc(F)c(NNC(=O)/C=C\SCc2ccco2)c1	255719575	TUJOZMMZJVFIDC-VURMDHGXSA-N	306.362	3.617	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2cccc3c2CCCC3)C1	281163233	KSNPUBHZVCROJY-ZBFHGGJFSA-N	316.445	3.604	50	20	DHGD	
CCSc1cc(Cl)ccc1C(=O)NCC(Cl)Cl	288128030	DOTGZYIDXYVUHF-UHFFFAOYSA-N	312.649	3.986	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)ccc1C	588597523	TVSPIWRZPXEILM-CHHVJCJISA-N	321.332	3.522	50	20	DHGD	
CCCCCC[C@H]1CCCC1=NNC(=O)Cn1nc(C)cc1C	728157462	WSYPLEVJTXLOKQ-INIZCTEOSA-N	318.465	3.743	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(F)cc1F)c1ccccc1	731931949	UXJKNPANBQOKHP-HNNXBMFYSA-N	302.324	3.609	50	20	DHGD	
CC[C@@H](NNC(=O)c1cc2c(s1)CCC2)c1ccccc1	732917912	SENVYSIOHCPJGF-CQSZACIVSA-N	300.427	3.623	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC1CCSCC1	733273479	QELVTNZRWWIXHX-CYBMUJFWSA-N	319.561	3.960	50	20	DHGD	
CC(C)CCSCC(=O)NNc1nccc2sccc12	734249030	HBQCWRVFUVWWRW-UHFFFAOYSA-N	309.460	3.519	50	20	DHGD	
CC(C)OCCCN(C)C(=O)CCCC[C@@H]1CCSS1	740838453	MOLQZKHHPZWARR-CQSZACIVSA-N	319.536	3.974	50	20	DHGD	
O=C(NN=C[C@@H]1CC=CCC1)c1cccc(Br)c1	741771035	YNJORTHBDRPSRB-LLVKDONJSA-N	307.191	3.521	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2Cc3cc(C)c(C)cc3O2)c(C)c1	743762365	RUHFJAQWEYPQFQ-SFHVURJKSA-N	324.424	3.676	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNc1cc(Cl)nc(C)n1	748336311	VRNTWPPBEKNMCR-NSHDSACASA-N	312.845	3.878	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748716432	FFXVKNQAOIDIDY-UHFFFAOYSA-N	313.785	3.908	50	20	DHGD	
O=C(NN=Cc1cc(-c2ccccc2)ccc1O)NC1CCCC1	749446154	BAEUTMZHWKKWRE-UHFFFAOYSA-N	323.396	3.635	50	20	DHGD	
C[C@H]1CC(=NNC(=O)Cc2cccnc2)C[C@H](c2ccccc2)C1	749855113	COJYXOSXQVGLDJ-CRAIPNDOSA-N	321.424	3.700	50	20	DHGD	
C[C@H]1CC(NC(=O)/C(C#N)=C\c2ccc(F)cc2)C[C@H](C)C1	752436914	AHDJJLBIFVZMAF-WHJZCPEBSA-N	300.377	3.674	50	20	DHGD	
Cc1cc(COC(=O)CCCC[C@@H]2CCSS2)on1	760230000	QNBXKRIAMZSOCA-GFCCVEGCSA-N	301.433	3.740	50	20	DHGD	
CS[C@@H]1CCCCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768294269	KLQCNUCBBWXUMK-GHMZBOCLSA-N	322.312	3.540	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](c2ccccc2)c2ccccc21	769328679	NCGJNAQIKOUZHP-HRYDCMBCSA-N	318.376	3.609	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H](OCC2CC2)C1	778172942	FLXFJNVBHGKSRW-WENWWWKYSA-N	300.377	3.581	50	20	DHGD	
COc1ccc2nc(NNC(=O)CCC3CCC3)c(C)cc2c1	778476164	DIFRUCIHMCPYOZ-UHFFFAOYSA-N	313.401	3.575	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2cc(Cl)cs2)cc1	782232176	KCKYOVUKRGJLDS-UHFFFAOYSA-N	322.821	3.623	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1ccc(F)c(Cl)c1	790878135	IFTNPCIFVXZGQR-UHFFFAOYSA-N	322.858	3.632	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1c1cccc(N(C)C)c1	791471532	RQDFOTTWEYQVQK-INIZCTEOSA-N	323.278	3.841	50	20	DHGD	
C[C@@H]1OCC[C@@H]1COC(=O)CCCC[C@@H]1CCSS1	793438428	ROTMUUYSFUOCLF-YNEHKIRRSA-N	304.477	3.669	50	20	DHGD	
C=Cc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	794382462	IECWWWWWFXLHFM-AQTBWJFISA-N	320.367	3.735	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(F)c(OC)c1	799422580	HMSRDAAJSLPQHX-UHFFFAOYSA-N	317.364	3.854	50	20	DHGD	
CSCC(C)(C)C(=O)NNc1cc(Cl)cc(Cl)c1	800552699	DHRXYGQMQXAWOU-UHFFFAOYSA-N	307.246	3.826	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nccnc2C2CCC2)c(C)c1	806088407	UGOURUAUPVWDGL-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	806970000	CBUVGYMCBFBVIG-IACUBPJLSA-N	307.825	3.785	50	20	DHGD	
O=C1CC[C@@H](C(=O)NNc2ccc(Cl)cc2)c2ccccc21	807120189	CGXMHDPGBZMCMC-OAHLLOKOSA-N	314.772	3.543	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\C1=Cc2ccccc2OC1	810215575	HDDBVQIZOJDCRX-ATVHPVEESA-N	310.397	3.609	50	20	DHGD	
COC[C@H](C)[C@H](C)C(=O)NN(c1ccccc1)c1ccccc1	812823879	MGTYFXFYYIBHGI-HOTGVXAUSA-N	312.413	3.775	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1ccc(C2CCC2)cc1	814757189	RAEWTDSJDVGNBL-UHFFFAOYSA-N	310.372	3.786	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)COc1ccccc1O	814952377	XEINHHNYEXVYHI-OAHLLOKOSA-N	318.417	3.646	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1cc(Cl)nc(Cl)c1	819743343	NSUYPRVTHVJVMJ-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
Cc1cccc2sc(NNC(=O)CC3CCSCC3)nc12	828362093	BNCZEPVLGDOQKM-UHFFFAOYSA-N	321.471	3.581	50	20	DHGD	
COc1cc2ccccc2cc1/C=C(\C#N)C(=O)NCC(C)C	834412645	MRGYSDDHUWZBSC-RQZCQDPDSA-N	308.381	3.528	50	20	DHGD	
Cc1scc(C(=O)NNc2ncnc(Cl)c2C(C)C)c1C	840546839	DBAWJJVJZVSECL-UHFFFAOYSA-N	324.837	3.689	50	20	DHGD	
N#C/C(=C/c1ccc(C2CCC2)cc1)C(=O)NCc1ccco1	840729532	PBFGQPPAWGESLU-BOPFTXTBSA-N	306.365	3.770	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@@H]1[C@H]2CCC[C@H]21	846463269	CRXKZXUPAXVARP-DZFIZOCASA-N	306.409	3.767	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1)OCC(F)(F)F	853430695	MUBFBDMCKARMBM-NSHDSACASA-N	300.280	3.599	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(C)c(F)c1)c1c(C)noc1C	853911063	ORQPSVBSURLTJG-AWEZNQCLSA-N	320.368	3.516	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C1CC2(CC2)C1	856781124	POVDARKBQZHWJJ-UHFFFAOYSA-N	301.777	3.522	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2ccoc2)C1	891546755	UYMUOJGPWVXHGK-AWEZNQCLSA-N	309.482	3.906	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)c2nc(C3CC3)cs2)cs1	901524130	OABQALHVRLSOHH-NYYWCZLTSA-N	316.407	3.933	50	20	DHGD	
COc1ccc(C=NNC(=O)Nc2ccccc2C)cc1Cl	916661917	FJSQQZJQFIYDEX-UHFFFAOYSA-N	317.776	3.813	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccnc(OC(C)C)c2)cc1Cl	1252923536	MLFUJKGGQDCKPL-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cccn2C2CC2)n1	1326045156	FOWVBEMIMYDAER-DHZHZOJOSA-N	313.382	3.520	50	20	DHGD	
CON(C(=O)c1cccc(CCl)c1)[C@H](C)c1csc(C)n1	1337250948	ACHFZDXUVICYOT-SNVBAGLBSA-N	324.833	3.955	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1ccccc1C(=O)O	1605022491	QNOGBTVUTCJCAJ-AWEZNQCLSA-N	318.417	3.825	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@H]1c1ccc(C(C)C)cc1	89359467	QIAQVVGXLPWXSN-FDWYHIAWSA-N	312.413	3.917	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cnn(CCCl)c2)c1C	103250876	PIRZKEQBEYSDDQ-NVNXTCNLSA-N	313.788	3.529	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)C(C)(C)C	121496194	SWJOFORXWQLWHP-WQLSENKSSA-N	302.330	3.516	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CSc2ccc(F)cc2)c1	126594866	WGFPXMLGTVDOCW-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	132427723	NPJXQUCYXQSXEH-IUCAKERBSA-N	302.205	3.658	50	20	DHGD	
CCC[C@H](C(=O)NNC(=S)Nc1cccc(C)c1C)C(C)C	133575388	XKPJPHWNIUYASU-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCCc3sccc32)c1	158156136	QOAAWAISTSWHAE-LBPRGKRZSA-N	304.390	3.759	50	20	DHGD	
Cc1ccc(NNC(=O)CCCCOc2cccc(C#N)c2)cc1	158698718	LQACAOVRQACZGD-UHFFFAOYSA-N	323.396	3.559	50	20	DHGD	
CCOc1cccc(C(=O)NNc2nc3ccccc3cc2C)c1	181300433	XNTUGYODYWOAJK-UHFFFAOYSA-N	321.380	3.699	50	20	DHGD	
Cc1nc2ccc(NC(=O)/C(C#N)=C\c3ccc(F)cc3)cc2o1	182049113	KFERMARNCYUFDT-JYRVWZFOSA-N	321.311	3.821	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC(N2CCCCC2)CC1	315588415	NVKJWCGHDBXHAD-UHFFFAOYSA-N	320.864	3.516	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1C1CCCCC1	588515374	LWAGKIFTZYPYCR-BLMOFCDVSA-N	324.424	3.870	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C)n(-c2cc(C)on2)c1C	726595111	UTWNZFUEGIVECY-WIWNTQSISA-N	311.385	3.913	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2cnnc3ccccc23)CC1	752622668	VLRJXDPNSLQUOZ-UHFFFAOYSA-N	312.417	3.679	50	20	DHGD	
CCCN(CC(=O)OC(C)(C)C)/C(=C/C#N)c1ccc(F)cc1	755318242	VDXSUVOBGMSLFA-MHWRWJLKSA-N	318.392	3.744	50	20	DHGD	
N#C/C(=C\c1ccc(Br)cc1Cl)c1ccncn1	758909044	AYYOPVDPKTVOOC-BJMVGYQFSA-N	320.577	3.957	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1	763363301	QBUNAHDQSPWHNV-LBPRGKRZSA-N	311.772	3.731	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cc(Br)ccc1Cl	767759496	OEVYAFGTGJIKRJ-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
CC(C)c1cccc(NC(=O)NNc2nccnc2C(C)C)c1	770097956	BXNUVCOHYCHTLD-UHFFFAOYSA-N	313.405	3.872	50	20	DHGD	
CCn1nccc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	780375265	VITFUGJTXXYNQZ-FMIVXFBMSA-N	319.286	3.712	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CO[C@H](C)C1	784041198	ZIEWYRKOSQULEU-BXUZGUMPSA-N	318.442	3.748	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)[C@@H]1C[C@H]1c1ccc(Cl)s1	788426814	ZIVXWNBUHHIGFV-JGVFFNPUSA-N	324.755	3.950	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Oc1ccc2ccccc2c1	791100893	XUXAOOWUFGKNDU-LBPRGKRZSA-N	321.467	3.735	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H]1C[C@@H]1c1cccc2ccccc12	791215382	RYVAVMKSHIGQAO-QZTJIDSGSA-N	317.392	3.790	50	20	DHGD	
Cc1cn2c(/C=C(/C#N)C(=O)Nc3ccccc3)c(C)nc2s1	797025583	KFRWGLGQUXNFKN-JYRVWZFOSA-N	322.393	3.558	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1c(C)cccc1CC	799756309	YPENUZIPRCAGFP-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)Nc1ccccc1	801984603	DUHWNFPHUTUINB-HNNXBMFYSA-N	317.433	3.836	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)CSc1nc2ccccc2s1	807949631	JPZNRNZCNONUJB-SNVBAGLBSA-N	319.455	3.681	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Oc2ccccc2)o1	808248276	IPOCQIZBNPMMOP-UHFFFAOYSA-N	314.168	3.948	50	20	DHGD	
N#C/C(=C/c1cnccn1)C(=O)c1cc(Cl)cc(Cl)c1	809153651	AVQFCQLDKZXJAK-YHYXMXQVSA-N	304.136	3.573	50	20	DHGD	
CC(C)[C@@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	811486701	HLMSZTKFQOXBBD-KRWDZBQOSA-N	311.853	3.551	50	20	DHGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC(Cl)Cl	816605594	FPRGIZXEDZNNGO-JTQLQIEISA-N	318.244	3.671	50	20	DHGD	
C/C=C(/CC)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816702562	RYDVPDHATFKYPE-WTKPLQERSA-N	302.296	3.513	50	20	DHGD	
Cc1cc(N2CCCC[C@@H]2C)ccc1NC(=O)NN(C)C1CC1	824233930	QGXDICRAKAWTTC-AWEZNQCLSA-N	316.449	3.505	50	20	DHGD	
O=C(NNc1ccccc1F)C1(C(F)(F)F)CCCCC1	830766322	CIRSYAUUXJBCCJ-UHFFFAOYSA-N	304.287	3.782	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1ccc(OCC(F)(F)F)cc1	834447348	KQBBQSQMHIHYTI-XFFZJAGNSA-N	315.266	3.852	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2c(C)noc2C2CC2)c(Cl)c1	836509866	VDNVFMFJHYNXJG-UHFFFAOYSA-N	320.780	3.971	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NCC(Cl)Cl	837645103	GHGLTMWMQPEZQJ-GHMZBOCLSA-N	300.229	3.896	50	20	DHGD	
C[C@H](C(=O)NNc1ccnc2cc(Cl)ccc12)C1CCC1	839480811	JLTQHBHXCORELF-JTQLQIEISA-N	303.793	3.768	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)Cc1cccc2ccccc12	841620704	WCNRYSSADBUBEX-UHFFFAOYSA-N	307.397	3.958	50	20	DHGD	
Cc1cc(C(=O)NNC(=O)CC(C)C)sc1-c1ccccc1	847316555	JLGRJROJNVCJJN-UHFFFAOYSA-N	316.426	3.531	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)[C@H]2CCCOC2)c(C)c1	849178006	BESMEEDGNJLWMC-FDIDWWNZSA-N	313.397	3.687	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2c(c1)CCOC2	854580076	WASFCIDBOVUFBF-UHFFFAOYSA-N	324.424	3.948	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1ccnc(Cl)c1	855466263	IXWFRLAVWHCERL-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
C[C@]1(CNCc2cc(F)cc3cccnc23)C[C@@H]1Br	856806754	HWJCBPQYEZTFPM-DZGCQCFKSA-N	323.209	3.637	50	20	DHGD	
CSc1ccc(/C=C\C(=O)N(C)CC(Cl)Cl)s1	861735685	SGFJTBGHCURMQO-HYXAFXHYSA-N	310.271	3.745	50	20	DHGD	
C[C@@H](NNC(=O)C1=C(c2ccccc2)CCCC1)C(F)(F)F	862321223	SLSUSRMUNHPTLT-LLVKDONJSA-N	312.335	3.586	50	20	DHGD	
CC(C)CC[C@H](CO)NC(=O)CCCC[C@H]1CCSS1	862777519	KBIVFLIWEMCXRL-KGLIPLIRSA-N	319.536	3.614	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(-c3cccc(F)c3)no2)cc1	915638583	IJFXJIPUYRJUPQ-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COc1cccc2cc(C=NNC(=O)c3ccccc3C)oc12	916360612	BCNNTVZCRXTNSU-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
CN(NC(=O)NCc1ccc(-c2ccccc2)o1)c1ccccc1	918780792	RPCJWCTWETZSSM-UHFFFAOYSA-N	321.380	3.797	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)C(=O)NNc1cccc(Cl)c1	921025210	SMHUWDGRDQFYOI-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(Cl)ncc1F	935023777	ZYYFLFOEJICQKX-UHFFFAOYSA-N	319.767	3.510	50	20	DHGD	
CSSCCNC(=O)Nc1ccn(C2CCCCC2)n1	1325840034	SHOFRCIBAPBYRA-UHFFFAOYSA-N	314.480	3.521	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(N(C)C)c(F)c1	1325968987	RPTGORREHBABHO-XNTDXEJSSA-N	308.356	3.990	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(Cl)c2O)cc1Cl	1337282706	UHAOQYAZJJNIHX-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
O=C(O)c1ccc(C(=O)NN=C2CCCCCCCCC2)cc1	1776101724	VKUYACQAURCAAS-UHFFFAOYSA-N	316.401	3.995	50	20	DHGD	
C=Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)cc1	1776192932	NEBJRNCPAOSDNS-RVDMUPIBSA-N	318.332	3.573	50	20	DHGD	
CCSc1cc(C(=O)NNc2cc(C)cc(C)c2)ccn1	97106296	BYRYHOVTPGXRFQ-UHFFFAOYSA-N	301.415	3.567	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1coc2ccccc12	113042957	SKEFBINLZCBYCJ-UHFFFAOYSA-N	313.265	3.569	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(C(C)(C)C)nn2)c1C	122223972	UHMNPOOZDOWXIM-UHFFFAOYSA-N	313.405	3.540	50	20	DHGD	
O=C(C=C1CCC1)NNc1ccc(Br)cc1Cl	127151538	YVYSWRLKTFAZAU-UHFFFAOYSA-N	315.598	3.656	50	20	DHGD	
CSc1cc(C(=O)NNc2ccccc2Cl)ccc1F	128348370	SGBHJKOYZKMHOR-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-n3cc(C)cn3)cc2)c1	132485857	MEBULISGAHIYEZ-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
O=C(CCC1CCCC1)NNc1cccc(C(F)(F)F)n1	155855323	TZRUMKGYROSZHW-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	175323504	RHAIVLYSBJMGCS-LFIBNONCSA-N	323.396	3.863	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cccc(C(F)F)c1	178493930	ZMTFSVBPCIOTRT-UHFFFAOYSA-N	313.307	3.929	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1csc(-c2ccoc2)n1	184378270	VURUFTZFWJLJME-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
CCCOc1cc(OC)ccc1C(=O)NNc1ccc(C)cc1	188131758	NSTZNPBDFOZZML-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cc(C#N)cs1)c1ccccc1	188581433	VKDHBLAVKUXTAC-KAKTVLCNSA-N	321.405	3.794	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@H]1CCSS1)[C@@H]1CCCO1	245964650	YHJHKXXXQJCJKI-IHRRRGAJSA-N	317.520	3.774	50	20	DHGD	
Cc1cccc(NNC(=O)c2cnn(C3CCCCC3)c2C)c1	272636864	BYLXMULJHUUPDE-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
CC(C)[C@@H]1C[C@@H](CC(=O)NNc2cccc(Cl)c2)CCO1	272990782	MRPBSOSRKYOWAO-WFASDCNBSA-N	310.825	3.624	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CC[C@H]2CCCC[C@H]2C1	731487845	GJFLGWYLHQVGRD-KGLIPLIRSA-N	300.402	3.771	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(C)cc1O)c1ccccc1	731933057	UIOCNAODWSDLJA-MRXNPFEDSA-N	310.397	3.735	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(OC)c(Cl)c1	741468348	RZQRUJKBBJOFRX-UVTDQMKNSA-N	320.820	3.952	50	20	DHGD	
N#C/C(=C\c1cc2cc(F)ccc2o1)C(=O)NCc1ccccc1	741840186	JRFQSKDMKHXJFJ-XNTDXEJSSA-N	320.323	3.795	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1oc(C(C)C)nc1C#N	742596611	YTLWKFISCADTKG-GFCCVEGCSA-N	306.410	3.719	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/C=C\c2ccccc2)n1	746684669	SMYIQBQZVXSNFB-KBFXXWBJSA-N	310.378	3.940	50	20	DHGD	
CCOc1ccccc1C=NNC(=O)c1ccc(Cl)cc1F	747646946	VXZFJFIBOTXARV-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccc(OC(F)F)c2)C[C@@H](C)C1	747750830	FFOLFTVVZMFXOH-QWRGUYRKSA-N	310.344	3.830	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(Br)c1)C1CCCC1	748032336	ISNAWSXJGPMVOV-JTQLQIEISA-N	311.223	3.719	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)Cn1c(C)nc2ccccc21	748245203	XBAXZILSBYWIJI-ZDUSSCGKSA-N	314.433	3.663	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(CC)C[C@@H](C)CC)cc1	748566406	COSVYNQRERWDAQ-ZKMNFCBKSA-N	314.429	3.887	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl	753696013	FFTPNKFOFYAZPY-QMMMGPOBSA-N	306.715	3.855	50	20	DHGD	
COc1cccc(-c2nc(/C=C(\C#N)c3ccncn3)cs2)c1	758911677	KDPOAOGZLZLRQW-NTUHNPAUSA-N	320.377	3.673	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(Cl)nc1)c1cccc(Cl)c1	763355336	CUPVLWRPRMXURJ-JTQLQIEISA-N	322.195	3.908	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(Cl)cc2)cc1C	778509697	VJGQGZUKUKFZQK-SNVBAGLBSA-N	306.797	3.573	50	20	DHGD	
C[C@H](CCNC(=O)NNc1cc(Cl)ccn1)c1ccccc1	778640842	ZFUGKJJRYKAMHJ-GFCCVEGCSA-N	318.808	3.555	50	20	DHGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)NC1CCCC1	779771504	LXKPWFPMQDPMBM-UHFFFAOYSA-N	313.357	3.648	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cc(Cl)cs1	782221713	NPLPLXFGVIEMSN-UHFFFAOYSA-N	306.818	3.875	50	20	DHGD	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	787017100	ZPYVKAMERGQCID-XLCHGRMISA-N	324.424	3.726	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1cc2ccccc2o1	790167044	IHOKCWDYOAGSKL-UHFFFAOYSA-N	304.758	3.912	50	20	DHGD	
CCCOc1ccc(Cl)cc1C(=O)NCCSSC	791116402	KMSGOZBVNYSLAK-UHFFFAOYSA-N	319.879	3.870	50	20	DHGD	
C#CCOc1ccccc1C=NN(CCC)C(=O)OC(C)(C)C	794997034	MXKWQNADZGJQIQ-UHFFFAOYSA-N	316.401	3.680	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](F)CC1CCCCC1	796207993	XUZMZPBCSOYHAG-GFCCVEGCSA-N	307.203	3.789	50	20	DHGD	
CC[C@H](C)[C@H](OC)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	796790967	AMTXNCMGJKPICO-ZBEGNZNMSA-N	317.341	3.715	50	20	DHGD	
CCOC[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)C1	798185014	MBMCVKIDHBLXLY-MRXNPFEDSA-N	311.853	3.553	50	20	DHGD	
CC(C)N1CCC(NCc2ccc(OCCCCl)cc2)CC1	811473340	WCLHZEMVQCPNDV-UHFFFAOYSA-N	324.896	3.657	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1c(F)ccc(O)c1F	812768880	LNATVSZKTWSJLX-UHFFFAOYSA-N	320.339	3.859	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1cccc(Cl)n1	817011298	NRPURSPHLHCHKY-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCC(=O)c1ccc(Cl)cc1	819844151	ZYUWKMNVSZZHMC-UHFFFAOYSA-N	322.619	3.565	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1cc(F)c(F)c(F)c1	826596431	RKDHQUJHNLCNSS-LURJTMIESA-N	314.229	3.526	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)[nH]1)c1nc2cc(F)ccc2s1	833064800	WGIZZMILZGXLRI-YVMONPNESA-N	313.313	3.526	50	20	DHGD	
COc1ccc(-n2cc(/C=C(\C#N)C(=O)C3CCCC3)cn2)cc1	834434254	FISRAYCHXRHNCG-MHWRWJLKSA-N	321.380	3.547	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2c(F)cccc2s1	848080894	SQDGQYIPQLSPMB-UHFFFAOYSA-N	306.189	3.916	50	20	DHGD	
CCc1cccc2cc(/C=C(/C#N)C(=O)[C@@H]3CCCOC3)oc12	849179398	OGTHJUXQRRJMQR-CCAPLTMGSA-N	309.365	3.898	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)cc1F	856230904	HRDRDWSHVNTTLW-DOMZBBRYSA-N	316.376	3.926	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc2c(c1)COC2	857082125	LODJRXGADNGMLF-COLVAYQJSA-N	310.235	3.541	50	20	DHGD	
CC[C@H](NS(=O)(=O)CCCCCl)c1cc(C)ccc1C	859366905	RSBTYMFBRCVUOB-HNNXBMFYSA-N	317.882	3.693	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1cccnc1C1CC1	859632748	QJCSEPBWHDOTFE-LBPRGKRZSA-N	324.218	3.537	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(F)c(Cl)c2)c1C	863078403	DNEKWDIRBSUKJD-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
Oc1nc(CSCCCCl)nc2c1[nH]c1ccccc12	864355750	JIWYWXYXERYIBQ-UHFFFAOYSA-N	307.806	3.679	50	20	DHGD	
Cc1cc(F)ncc1C(=O)NNc1ccc(C(C)(C)C)cc1	867290701	AFXBAQNMDRFHMJ-UHFFFAOYSA-N	301.365	3.584	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CC(C)(C)c1ccc(F)cc1	868372621	AUPYIYOMZSEDFI-UHFFFAOYSA-N	306.208	3.756	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1oc(C(C)C)nc1C	885126782	GHRLCDYGCZWUMS-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
COc1ccccc1NCC(=O)NN=C(CC(C)C)CC(C)C	915919928	CMGMUXAEKKSLIZ-UHFFFAOYSA-N	319.449	3.672	50	20	DHGD	
O=C(NN=Cc1ccc2ncccc2c1)c1cccc(Cl)c1	916278244	JUNNBRATOPKOEF-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1ccccc1C	916337917	IQPXUDSXPYACCM-UHFFFAOYSA-N	305.381	3.559	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCOc2cccc(C)c2)cc1	916599665	VXNMLJMLJOYTPT-AQTBWJFISA-N	321.376	3.833	50	20	DHGD	
CC(C)CO[C@H](C)C(=O)NN(c1ccccc1)c1ccccc1	917529113	PWQGVONXPMVFNP-MRXNPFEDSA-N	312.413	3.917	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)NCC(F)(F)F	917552780	XAIOGICOFGWRBR-UHFFFAOYSA-N	315.339	3.592	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)c1ccc(F)cc1Br	917553492	XSJHBCAHSYTCCT-QMMMGPOBSA-N	315.186	3.740	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccc(-c2cccs2)s1	1322171334	IMYQACUKABCSLZ-UHFFFAOYSA-N	319.386	3.768	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCOC[C@@H]1c1ccccc1	1335799334	HKOXBTQIDQODMJ-QGZVFWFLSA-N	315.800	3.639	50	20	DHGD	
CCc1csc([C@H](C)NC(=O)c2cccc(CCl)c2)n1	1335993762	KOCNQHVMAZGKAF-JTQLQIEISA-N	308.834	3.935	50	20	DHGD	
Cc1cnc([C@H](NC(=O)C2CCC(Cl)CC2)C2CC2)s1	1349041044	KRVZNCYAKLXFNS-WXRRBKDZSA-N	312.866	3.816	50	20	DHGD	
CCCCCCCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1595702403	IRMOBKWDXYZBPO-UHFFFAOYSA-N	312.797	3.842	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)CC2CCCCC2)cc1C(=O)O	1600463295	PXLMXYIZWCMVFG-CYBMUJFWSA-N	318.417	3.743	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C/C(=O)O)o1)c1ccc2ccccc2n1	1777566095	LNUYHEVMBASHDB-BOTKGMRRSA-N	316.316	3.990	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)ccc1C	3616423	KMJYAVBJGNZUPY-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(F)c(F)c2)cc1	8321056	JRFXOHJTIWZTBC-RIYZIHGNSA-N	319.332	3.612	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C12CC3CC(CC(C3)C1)C2	67848788	WNFGSDVOZBPXSK-UHFFFAOYSA-N	304.821	4.000	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ccc(OC(F)F)cc2)CC1	123161293	VCBMEJQRJYZJQK-UHFFFAOYSA-N	310.344	3.868	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc(Cl)cc1	132417786	ZNKAMWVBFMVAOX-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(C(F)(F)F)n1)C(C)C	155990420	PVDBLSAQAWHZSI-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cc(C)cc(C)c1	158712100	RERBGXANSYTAPF-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1ccncc1	160767574	WTXUTQZSDHLRBA-XFXZXTDPSA-N	317.270	3.646	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1c(F)cccc1F)C1CCCCC1	171982407	PJXORCZSXMDYGW-ZRDIBKRKSA-N	304.340	3.663	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Cl)nc1	178869553	SOEOYVRWFZISNJ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(Oc2ccccc2)cc1	178946388	UGMMNJQFQPELEP-BUHFOSPRSA-N	308.337	3.861	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2ncccc2c1	181102979	ZUQVDKULPVFZKB-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
COc1c(Br)cccc1/C=C(\C#N)C(=O)C(C)C	186860132	KKFHDMBMXSVLNZ-YRNVUSSQSA-N	308.175	3.590	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)[C@H]1CCCOC1	280908716	GHKZJDZKWFGKSL-WBOGTDJTSA-N	310.180	3.896	50	20	DHGD	
Cc1nc2c(C(=O)NNc3cccc4c3CCCC4)cccc2[nH]1	284353439	KGECBKLKZGNZIB-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cccc(NC(C)=O)c1	293895733	JTNVTOJDXWFZMI-AWEZNQCLSA-N	305.422	3.695	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(N(C)C)c(F)c2)c1	727655158	TUPVWHXMKKNDCR-OQLLNIDSSA-N	324.355	3.690	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc2c(c1)CCO2)c1ccccc1	731931503	JFHKFUPCMBXYAC-GOSISDBHSA-N	322.408	3.656	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc2cccc(F)c2o1	742042359	OHZSWWDYXUQLQK-UHFFFAOYSA-N	304.708	3.982	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1cc(Cl)sc1Cl	744555567	QZODIJDGDHNXMR-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
CCC(=NNC(=O)Cc1ccc2ccccc2c1)C1CCOCC1	745197667	QYDDTOKAZLDYIN-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
CCC(=NNC(=O)c1cccc2ccccc12)C1CCOCC1	745205321	VXXRNSQYSLYPSZ-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ccccc2F)cc1	748050671	PJZCDLNYLZHXDN-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
CCc1ccc(C(=O)NN=C(CSC)c2ccccc2)cc1	749443087	CLQIIUINPCFZNH-UHFFFAOYSA-N	312.438	3.746	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1	749824044	VHIOWKDFUPBSIY-UHFFFAOYSA-N	310.378	3.919	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	753227417	NDPPFTFTANKAPX-INIZCTEOSA-N	318.461	3.934	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)c1sc(-c2ccccc2)nc1C	755566364	KHHONZVUGFGDKY-LLVKDONJSA-N	301.415	3.880	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccccc1F	755698497	HEETXUMXJLYOHD-XYOKQWHBSA-N	321.311	3.907	50	20	DHGD	
C[C@H]1CCc2ccccc2[C@H]1NC(=O)NNc1cccc(C#N)c1	763091260	PJKKSEGUKVLMJS-UGSOOPFHSA-N	320.396	3.508	50	20	DHGD	
CC(C)[C@@H]1CCCCC1=NNC(=O)CCc1ccccc1O	764688093	XDQQSQYSFPBZEX-HNNXBMFYSA-N	302.418	3.643	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2cc(C)ccc2F)c(C)c1	768163220	AVGDHVHTTLLYRQ-UHFFFAOYSA-N	316.376	3.581	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1ccc2sccc2c1	768243711	UMRLHFIEOWKICR-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNc1ncncc1Cl	781830538	WGRLXKRRQOBRCR-ZDUSSCGKSA-N	324.856	3.816	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2cccc(C(F)(F)F)c2)C1	782016326	BYRWLGWMLUPPDP-JTQLQIEISA-N	300.324	3.975	50	20	DHGD	
Cc1ccc(C(=O)NN=C2C[C@H](Oc3ccccc3)C2(C)C)o1	789022426	BOJISOYCLCEFJY-INIZCTEOSA-N	312.369	3.551	50	20	DHGD	
Cc1cccnc1NNC(=O)CCc1ccc(C(C)(C)C)cc1	791215361	QSNIKXIPTVEYDK-UHFFFAOYSA-N	311.429	3.763	50	20	DHGD	
CO[C@@]1(C)CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	792504329	IDWXWQRERXMWCK-HIFRSBDPSA-N	317.520	3.728	50	20	DHGD	
COc1ccc2cc(/C=C(\C#N)C(=O)C3CCOCC3)ccc2c1	794958939	PTAYVQDTHKYLPL-WOJGMQOQSA-N	321.376	3.751	50	20	DHGD	
CCOC[C@H]1CCN(Cc2ccc(OCCCCl)cc2)C1	798185013	MBMCVKIDHBLXLY-INIZCTEOSA-N	311.853	3.553	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(Cl)nn1	798278854	PEUFQQJFLKRTGJ-UHFFFAOYSA-N	324.771	3.613	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(F)cc(F)cc1F	799757543	BZUJDHWQDFITEC-UHFFFAOYSA-N	308.303	3.732	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)/C=C/c1ccccc1C#N	799759321	LYPWYFJIWZLLIT-VAWYXSNFSA-N	305.381	3.586	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C[C@@H]2CC[C@@H](C)C2)cc1OC	800808390	RSHPZQZNDDZWNP-ZIAGYGMSSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)CCC(C)(C)C)c(Cl)c1	802050956	KDSRZCYJLQGMCJ-UHFFFAOYSA-N	311.813	3.627	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1sc2ccccc2c1Cl	804773547	WVVUUPOORNYSEL-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3cccc(C)c3s2)cc1	809665843	DPXOMVNZKYSISG-UHFFFAOYSA-N	312.394	3.975	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC(c3ccccc3)C2)cc1	814814536	OHZMYATVKNBURK-UHFFFAOYSA-N	322.408	3.678	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc(F)ccc1Cl	815852428	UCQKDCRVZQJXOF-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCOc1ccc(NNC(=O)/C(F)=C/C2CCCCC2)cc1	817904821	SDCKXFCDKWFMAX-VBKFSLOCSA-N	306.381	3.962	50	20	DHGD	
O=S(=O)(CCl)N1CCC[C@H]1c1cccc2ccccc12	830176163	AMBVETPKXLBYLM-HNNXBMFYSA-N	309.818	3.503	50	20	DHGD	
COc1ccc(OC)c(C(=O)NNc2ccc(C(C)C)cc2)c1	837058792	VBXRDLFNYYLXDZ-UHFFFAOYSA-N	314.385	3.584	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCCC1(C)C	840546028	YDUDVWSEUHIGMA-JTQLQIEISA-N	310.829	3.523	50	20	DHGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)[C@@H]1CCO[C@H]1C	842548609	AKDXEKXGAFAXFR-MAUKXSAKSA-N	322.408	3.537	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@H]2C[C@H]3CC[C@H]2O3)C1	852524110	NSILJJREMCISTG-LVQVYYBASA-N	311.542	3.650	50	20	DHGD	
CCCC[C@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])C(C)C	857197464	PKDRVXSOJUBVKY-NSHDSACASA-N	311.357	3.639	50	20	DHGD	
C[C@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C[C@@H](C)C1(F)F	859413408	GQQZDCCKYQUGPZ-UCAGQIRBSA-N	321.327	3.682	50	20	DHGD	
N#C/C(=C\c1cccc2c1OCO2)c1nc(-c2ccccc2)no1	915984583	AISIQQMUGKOXHI-NTEUORMPSA-N	317.304	3.529	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@H]2C1	1319291368	HIJWBKXCEALVGW-WRGQDFSISA-N	311.385	3.971	50	20	DHGD	
CCN(C(=O)CCl)[C@H](c1ccc(Cl)cc1)c1cccnc1	1336909863	HMRFOTMULAXGGB-MRXNPFEDSA-N	323.223	3.912	50	20	DHGD	
C[C@@H](Cc1ccc(O)cc1)N(C)C(=O)c1cccc(CCl)c1	1346922085	QTUCFPUFKMPVDL-ZDUSSCGKSA-N	317.816	3.834	50	20	DHGD	
C[C@H](OC1CCCCC1)C(=O)NNc1ccc(F)c(Cl)c1	1348411617	MNLNLXLSFAVNKF-JTQLQIEISA-N	314.788	3.660	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2Cl)cc1	3570718	JYWIULOZQVIJHS-JLHYYAGUSA-N	312.756	3.894	50	20	DHGD	
Cc1ccc(-c2nc(C(=O)NNc3ccc(F)cc3)cs2)o1	42040114	NPDGZZNCKYWQSY-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
Cc1ccccc1NNC(=O)Cc1cccc(C(F)(F)F)c1	120316922	PUXAJGZEMLEPBP-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccn2Cc2ccccc2)cc1	127993679	UDHZJSHURQQLFF-UHFFFAOYSA-N	305.381	3.602	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)c1ccc(Cl)o1	134281930	XLTUTYSTENYSJW-UHFFFAOYSA-N	320.654	3.589	50	20	DHGD	
CSCc1ccc(C(=O)NNc2ccc(F)cc2C)cc1	161086409	JSKGPDOCQFMGJP-UHFFFAOYSA-N	304.390	3.754	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1	171685998	GAWNBYMZKWSOIT-FOWTUZBSSA-N	324.336	3.684	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@]23CCCc2ccccc23)c1	175228923	NNEMWHZXODDCEZ-QUCCMNQESA-N	306.409	3.732	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	182069289	XJAZXOVROPXKSV-FMNVXAMXSA-N	308.356	3.919	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NC1(c2ccccc2)CCC1	196266788	AIRXWGYMSMGEQX-CYBMUJFWSA-N	324.262	3.992	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc([C@@H]3C[C@@H]3C)o2)c1	255137017	NARCEVZHCGRXOX-VQFUZYDCSA-N	322.364	3.957	50	20	DHGD	
CSc1cccc(N(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)c1	490979972	ZQXMENQKGIKRIR-GXDHUFHOSA-N	324.405	3.684	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(Cl)c1Cl)C(=O)N1CCCC1	491177056	UBDQZCHRUWMCMM-JXMROGBWSA-N	313.159	3.662	50	20	DHGD	
COc1ccc(/C=C/C(=O)NNc2c(F)cccc2Cl)cc1	492594916	MAJUAIQQTIHHMU-JXMROGBWSA-N	320.751	3.644	50	20	DHGD	
COc1ccc2c(c1)Sc1cc(N)ccc1N2C(=O)CCl	536953465	LZYDVRQLYHYHMF-UHFFFAOYSA-N	320.801	3.646	50	20	DHGD	
C/C(=C/c1cccc(Cl)c1)C(=O)NNc1cc(Cl)ccn1	588396508	PZRPOHJCABDYDE-YFHOEESVSA-N	322.195	3.935	50	20	DHGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	588597263	DBOGTSFNAHGFEB-XNTDXEJSSA-N	306.296	3.518	50	20	DHGD	
O=C(NCC1CCC(F)(F)CC1)c1cccc(CCl)c1	693379839	URVRUNBPWWAJFL-UHFFFAOYSA-N	301.764	3.981	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C)c2)c1	729150919	PUUBAEZBPDQUMT-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
CCCCC[C@H](NC(=O)NNc1ccc(F)cn1)C(C)(C)C	734536417	JOEDCBHPXUWMRL-ZDUSSCGKSA-N	310.417	3.842	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(OCC#N)cc3)[nH]c12	735669415	MOICPKWJXRHJSD-RVDMUPIBSA-N	314.348	3.838	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC(C)(C)CC1	735972631	LQMASAOCXQGHTB-LBPRGKRZSA-N	306.381	3.665	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1CC=CCC1	737063823	KLMXCEXFSFYJLD-SNVBAGLBSA-N	300.189	3.728	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)o1)c1nc2cc(F)ccc2s1	739062253	NUHZTYVGUDYXRY-YVMONPNESA-N	314.297	3.791	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745352017	MKQBFVOZRWXPCC-OAHLLOKOSA-N	318.808	3.758	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2cccc(F)c2)o1	748098798	BFPAXWLUPOWTBN-IAQYHMDHSA-N	302.349	3.618	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1ccc(OC(C)C)cc1	749744774	JNDMPFDVEISWHH-UHFFFAOYSA-N	324.424	3.947	50	20	DHGD	
CCCCCCC[C@H](C)CNC(=O)NNC(=O)c1ccc(C)o1	752363811	YQPCXQWIZYASCD-ZDUSSCGKSA-N	323.437	3.529	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@H]1CC1(C)C	753168400	DTQOKIMJHZJOSE-LLVKDONJSA-N	311.223	3.501	50	20	DHGD	
CCCCCCC(=O)NNc1ccc(OC(F)(F)F)cc1	761599684	KABXGIFEXPMGFX-UHFFFAOYSA-N	304.312	3.999	50	20	DHGD	
O=C(NN=Cc1csc(Cl)c1Cl)c1ccccc1O	761742916	JOWKDIHDOIHMQD-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)[C@H](Br)C(C)(C)C)CC2	767984090	VIQOOCJUPQPJOU-KBPBESRZSA-N	324.262	3.908	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1csc(C(C)C)n1	768774719	ZVYCJKPSXFGFQJ-UHFFFAOYSA-N	301.415	3.729	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1scc(C)c1Cl	774179502	PRLQVRVCHNTUKW-UHFFFAOYSA-N	314.769	3.615	50	20	DHGD	
C=C(C)CNC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	779068816	DGBRODFPBYQFHX-ZDLGFXPLSA-N	313.445	3.750	50	20	DHGD	
CCc1ccccc1COC(=O)/C(C#N)=C\c1ccc(OC)cc1	782237174	AUGONMPRNRYIAB-PDGQHHTCSA-N	321.376	3.908	50	20	DHGD	
CSSCCNC(=O)NCCc1ccc2ccccc2c1	790875270	ICLNWZYLGFPTOK-UHFFFAOYSA-N	320.483	3.693	50	20	DHGD	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)cc1C	794361232	IXEGFRDKDXLORR-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@@H](c1ccccc1)C(C)C	794496613	YVPDOOFOLVHMLT-GOSISDBHSA-N	324.424	3.780	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(C(F)(F)F)c1	795345478	NVSKFPJTOVVKLH-UHFFFAOYSA-N	323.108	3.813	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)C(=O)c2ccoc2)c1	806557353	SLUGWHNHJYWXGW-NTUHNPAUSA-N	315.712	3.509	50	20	DHGD	
CCOC[C@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1	808727401	GVBAIZYMELESPI-HNNXBMFYSA-N	301.547	3.757	50	20	DHGD	
ClCCCOc1ccc(CN2CCC[C@H]2[C@@H]2CCCO2)cc1	811503796	DBGIWUMESZXNGJ-ROUUACIJSA-N	323.864	3.838	50	20	DHGD	
CC1(C)Cc2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cn3)ccc2O1	812244956	NZXGNPBQMSTLJA-ZSOIEALJSA-N	321.336	3.767	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc([N+](=O)[O-])c1	812767806	UZDADXTWYURKCC-UHFFFAOYSA-N	313.357	3.784	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccnn2C(C)C)c(Cl)c1	836220264	QKAGSIWSVCHMSN-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CC[C@@H](c2cccc(Cl)c2)C1	841617722	MGWBNZFRQUJCDI-CYBMUJFWSA-N	315.804	3.732	50	20	DHGD	
Cc1nn(C(C)C)cc1C(=O)NNc1ccc(C(C)(C)C)cc1	847693675	VCJMBIXTYWYMJY-UHFFFAOYSA-N	314.433	3.827	50	20	DHGD	
Cc1ccc(CCC(=O)NC[C@]2(C)C[C@H]2Br)c(C)c1	857402842	LNNHWCROEUSYMT-ZBFHGGJFSA-N	324.262	3.526	50	20	DHGD	
CCC[C@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	857556404	SCRNUWIRTJYXFH-XKYMITNMSA-N	315.461	3.973	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCCC(F)(F)C1	885127952	ZTRNYUPEAKANHO-SNVBAGLBSA-N	302.752	3.917	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)c2c(C)noc2C)cc1Cl	1115933118	QZQRAVYQBHBSKB-SECBINFHSA-N	307.781	3.500	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)c1cncn1-c1ccccc1	1318248989	UEXDHWCSFWSCPO-OAHLLOKOSA-N	324.428	3.948	50	20	DHGD	
CCC(=O)NN=Cc1ccc(OCc2ccc(Cl)cc2)cc1	1318596418	GYPODVHRCJOCCO-UHFFFAOYSA-N	316.788	3.779	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@H]2Cc2ccccc2)cc1	1322974419	IIXWQOPXVSFHFS-KRWDZBQOSA-N	322.408	3.824	50	20	DHGD	
O=C(NCC1([C@@H]2CCCO2)CCC1)c1cccc(CCl)c1	1551615535	XVGAZUXCCRQMFI-HNNXBMFYSA-N	307.821	3.505	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(C(=O)O)ccc1Cl	1600858674	BNZCAYIDGLIJOI-GHXNOFRVSA-N	315.712	3.730	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2ccccc2C)ccc1O	7211087	IODIQDTXOLOWJY-XNTDXEJSSA-N	307.349	3.889	50	20	DHGD	
COc1ccc(C(=O)NN(C)c2ccccc2)c2ccccc12	15832466	ZGGDYCGDABPGHL-UHFFFAOYSA-N	306.365	3.630	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)N[C@H](c1ccccc1)C(C)(C)C	46897315	ZQWATKADRRDYQT-CYBMUJFWSA-N	321.421	3.513	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(C)cc(C)c1	60132550	AHDCDKGOEPOWRD-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)n1	83015620	DSGBFLWNQKUIMN-WZUFQYTHSA-N	315.354	3.944	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNc2ccncc2Cl)cc1	154702670	GCZFTZCQDGJIDG-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc(-c3ccccn3)s2)c1	158790024	MRCRWXGSGRLZKE-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(\C#N)C(=O)NC2CC2)o1	172043697	OJGMAUWWVKZGPF-FMIVXFBMSA-N	310.328	3.580	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1cccc(OC(C)C)c1	184317042	RLMNENHQBYSZGK-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	188440005	NYIUDYPNTMDJIN-JQFNYASXSA-N	320.392	3.793	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](C)C2CCCCC2)cc1	303103490	IQLQCQRMSLNXQU-CQSZACIVSA-N	316.445	3.617	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccc(F)cc1	730146697	DJNXTUBFMWXRPG-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1cc(C)cc(C)c1	730431612	SISMPJBNIRHMTC-UHFFFAOYSA-N	309.413	3.523	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C)s1	734094220	JTUJUQYFCJHEKN-UHFFFAOYSA-N	308.790	3.570	50	20	DHGD	
C[C@H](C(=O)NNc1nccc2sccc12)c1ccccc1F	734248404	LZRVLNQUKIFBOH-JTQLQIEISA-N	315.373	3.682	50	20	DHGD	
CCCCC[C@@H](NC(=O)NNC(=O)C1CCCC1)C(C)(C)C	734677006	GWCIQXIUYSKLKA-CQSZACIVSA-N	311.470	3.502	50	20	DHGD	
CC(=NNC(=O)c1cnn(C)c1)c1ccc(C2CCCCC2)cc1	735412244	SLAXICBVCMPXCL-UHFFFAOYSA-N	324.428	3.622	50	20	DHGD	
O=C(NN=Cc1ccc2c(c1)CCO2)c1cccc2ccccc12	741462927	RNTWERHLHRKBQY-UHFFFAOYSA-N	316.360	3.539	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc(Cl)nc2)c(C)c1	743818969	USBZJCIZTJYFCZ-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
O=C(CCCOc1ccc(Cl)cc1)NNc1ccccc1F	748056724	QEGWFYWMFSFZOA-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(OC(F)F)cc1	748649245	OFSPYSMLFURXFG-NEPJUHHUSA-N	312.360	3.948	50	20	DHGD	
CCC[C@H](C)C(=O)NNc1ccc(Br)cc1CC	753170795	WDSCWPPVHJHYJV-JTQLQIEISA-N	313.239	3.891	50	20	DHGD	
O=C(Cc1ccsc1)Oc1ccc([N+](=O)[O-])c2ccccc12	757422283	OPXWMZOVCRAXRX-UHFFFAOYSA-N	313.334	3.958	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1cc(F)cc(F)c1O	757462007	UULQQQGBWXCCJG-UHFFFAOYSA-N	319.311	3.525	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cnc(C)s1	761268061	ZTDWSZDRLVVTOX-UHFFFAOYSA-N	322.821	3.959	50	20	DHGD	
N#C/C=C\CSc1nnc2c(Cl)cc(C(F)(F)F)cn12	763297458	FFHGKWWWICLTCQ-UPHRSURJSA-N	318.711	3.573	50	20	DHGD	
CC(C)CO[C@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	768008178	VVOIGIZMWNZZFE-MRVPVSSYSA-N	323.195	3.637	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1ccc(-c2ccco2)s1	768232704	ZLHBUBCWAGFLLL-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2c(F)cccc2Cl)cn1	770197994	SNKJQEHXRZPLKF-UHFFFAOYSA-N	307.756	3.754	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)c([N+](=O)[O-])c1)C1CCCCC1	771591491	BCLGRLNLSWHOJX-NSHDSACASA-N	323.368	3.784	50	20	DHGD	
CCc1ccc(O)c(C(=O)NNc2c(F)cccc2Cl)c1	771672547	HIPKSTKMTCZTEF-UHFFFAOYSA-N	308.740	3.504	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1OC(C)C	771714096	UABCNAQNGAQAOR-UHFFFAOYSA-N	302.349	3.678	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2cccc([N+](=O)[O-])c2C)CC1	783685904	MRICLLYNEPPWLL-JOCQHMNTSA-N	305.378	3.563	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)o1	783686897	BMWYHWSTWPKKBM-RMKNXTFCSA-N	307.758	3.931	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@@H](C)c1ccccc1F	788193545	TYVHRPKOZUAVIM-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1nc(C2CCC2)cs1	799445615	QPLQGHZBAHCNAH-UHFFFAOYSA-N	306.366	3.698	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2ccccc2n1C	799755083	SPXMYYNNPNXCIB-UHFFFAOYSA-N	307.397	3.806	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3cc(Cl)ccn3)c2c1	803054418	MIOVLMFZVDAWJB-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@H](C2CCOCC2)C1	808740124	JJRUXDSKIJGLRV-INIZCTEOSA-N	313.558	3.757	50	20	DHGD	
CC(C)CCC=NNC(=O)c1ccc(Br)s1	814759501	DZVHRUVAIMBFAE-UHFFFAOYSA-N	303.225	3.662	50	20	DHGD	
Cc1c(C=NNC(=O)CCc2ccccc2)n(C)c2ccccc12	814826230	VFWCTOCNCOBOJT-UHFFFAOYSA-N	319.408	3.570	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc2oncc2c1)c1ccccc1	821028497	SRRCMRYLZQIBFZ-WPBJZHHJSA-N	317.348	3.612	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(C(F)(F)F)CCCCC1	830786566	WRFSSDUQASXKMK-UHFFFAOYSA-N	322.277	3.921	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@H]1CCC(F)(F)C1	838574463	GFXVDUWXGZPKCJ-JTQLQIEISA-N	317.767	3.710	50	20	DHGD	
Cc1nc(Cl)cc(NNC(=O)Nc2ccc(C(C)C)cc2)n1	841596849	XCKMMDOFWQTGPE-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
O=C(/C=C\C1CCCC1)NNc1ncc(Cl)cc1Cl	843859974	VXZZGAVSYVGAGP-WAYWQWQTSA-N	300.189	3.578	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1cc2n(n1)CCCC2	844345377	QQZWIJUDTDXDPF-UHFFFAOYSA-N	323.557	3.673	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	848081248	PETBOCZTFYVHLX-JGVFFNPUSA-N	306.155	3.617	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccn2c(C)cnc2c1	848108702	UCGNJWXNEHKKND-UHFFFAOYSA-N	322.412	3.831	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2ccc(O[C@H]3CCOC3)cc2)n1	849176314	LEQIWYWZIPCXEC-VCHSTOLQSA-N	312.394	3.683	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccnc(Cl)c1	855468472	YOSJFGVKAUFNQV-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
Cc1cccc(NC(=O)NC[C@]2(C)C[C@H]2Br)c1C	856812011	VWQVNJJMXQGQSC-OCCSQVGLSA-N	311.223	3.598	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(Cl)cn1	857081809	IUCOBUPEUNYOHE-AXTRIDKLSA-N	303.631	3.559	50	20	DHGD	
CC1(CC(=O)NC[C@@]2(C)C[C@H]2Br)CCCCC1	857395422	XQXIDPWRNPXYHI-BXUZGUMPSA-N	302.256	3.637	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	861526372	PTFDMRWMLWRXDP-OKZBNKHCSA-N	306.409	3.586	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1	864009827	XUNDSNQBFNQFGE-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1cccc(N2CCCCC2)c1	878432074	MKYBEAITXPFKNH-UHFFFAOYSA-N	316.232	3.602	50	20	DHGD	
Cn1cccc1C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891543830	MFTFRGDNYPUOJM-CQSZACIVSA-N	322.525	3.652	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H](C)c1cnccc1C	921757574	GUFJIACIFLLUEQ-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)[C@H](c2ccccc2)CO1	1123729513	LGRYMVQASRJUCF-MFNRNEDNSA-N	321.848	3.773	50	20	DHGD	
CC(C)Cn1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)n1	1331610517	TWQGEGHZNCIJIF-UHFFFAOYSA-N	314.433	3.594	50	20	DHGD	
C=CCCC(=O)[C@H]1CCCN1C(=O)c1cccc(CCl)c1	1339027564	FACZLGXKHSDGEK-OAHLLOKOSA-N	305.805	3.565	50	20	DHGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)c1nc2ccccc2n1C	1346462918	VNDMEWQGSUMQRR-HIFPTAJRSA-N	319.836	3.548	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc3ccccc23)cc1C(=O)O	1600461185	CCWJOMMUVXXJAR-UHFFFAOYSA-N	320.348	3.603	50	20	DHGD	
Cc1cccc(Oc2ccc(NC(=O)[C@@H](F)Cl)cn2)c1C	2088605588	GVEAOFFKSHEIJR-CQSZACIVSA-N	308.740	3.964	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)c1	78934584	ORLZMIBNMFQWMG-NEPJUHHUSA-N	300.324	3.807	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cccc(-c2ccoc2)c1	89851525	BWROKENZQMLCFG-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(CCCCCc1cccs1)NNC(=O)CC1CCCC1	109096271	SZHYNBZNFRCRLD-UHFFFAOYSA-N	322.474	3.579	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2c(c1)CCCC2	123074998	PNFWWTFELHKJGQ-UHFFFAOYSA-N	300.789	3.976	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)c3nc4ccccc4[nH]3)ccc21	129691934	REQIIUVADDAZKN-PTNGSMBKSA-N	300.365	3.619	50	20	DHGD	
C[C@@H](CBr)CN[C@H](c1ccccc1)c1ccccn1	133929154	WOUHGWGBQCZYLG-XJKSGUPXSA-N	319.246	3.792	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(F)c(Cl)cc2F)c1	163786154	QQOZCTGCNBSZCR-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc2cc(F)ccc2o1	175504439	OZMGOVGCERIGML-UHFFFAOYSA-N	324.233	3.746	50	20	DHGD	
CC[C@H](C(=O)NNc1cccc2cnccc12)c1ccccc1	178502548	FFQXHBNGPADZGU-INIZCTEOSA-N	305.381	3.872	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1cccc2cnccc12	178515575	FGVSJMKSUDAXCL-CABCVRRESA-N	323.421	3.852	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccncc1	179513323	CQPPLKMLGBDPQC-YRNVUSSQSA-N	318.163	3.934	50	20	DHGD	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)C(=O)c1cc(F)cc(F)c1	194538298	LUUHNMAPDFRMPR-UUILKARUSA-N	314.247	3.663	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(O)cc1	254290990	GATRBLNXXJMMCK-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)c1nc(-c2ccncc2)cs1	255572925	NVXGMPSXWUPESH-QPEQYQDCSA-N	308.366	3.874	50	20	DHGD	
CC(C)[C@H]1CCCC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	747744253	KXHXDCTUQMEFOU-CQSZACIVSA-N	310.401	3.619	50	20	DHGD	
Cc1cccc(N2CCN(/C(=C\C#N)c3ccccc3)CC2)c1	750600029	PRDZPBCHBSOSSN-JMIUGGIZSA-N	303.409	3.682	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H]2C[C@@H](C)c3c(C)cccc32)nc(C)n1	754247947	OYSBETIGUBFLJT-IUODEOHRSA-N	324.428	3.526	50	20	DHGD	
C[C@H]1COC(C)(C)CN1C(=O)CCCC[C@@H]1CCSS1	754493158	DAKIBVMGEQHHES-QWHCGFSZSA-N	317.520	3.726	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1ccc2c(c1)CCC2	758155673	MCZXGPSJJWYHBH-UHFFFAOYSA-N	301.777	3.977	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ccncc1Cl	763616561	UWKWIFYDSSYGSZ-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@H]1CCC[C@H](C)C1	768368594	ZYFBJFIEWAIMHD-KBPBESRZSA-N	320.458	3.716	50	20	DHGD	
CCC[C@@H](C=NNC(=O)c1ccccc1OC)c1ccccc1	769587261	UXYHRDNRPGWUEU-INIZCTEOSA-N	310.397	3.995	50	20	DHGD	
CC(C)CCSCC(=O)NNc1c(F)cccc1Cl	770197101	JTDFFIVJGYRDKS-UHFFFAOYSA-N	304.818	3.702	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCCc1ccsc1	770416712	WMYKPRADTIESBC-JTQLQIEISA-N	305.237	3.645	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCOCC2(CCCC2)C1	775848176	CXBJKVBOJQJSTD-REZTVBANSA-N	300.377	3.583	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCCC[C@H]2CC)cc1OC	779760978	FOWRXLMAXPDNDD-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C	791096638	HACBGIBTFLHMFS-SNVBAGLBSA-N	319.879	3.543	50	20	DHGD	
CSSCCNC(=O)/C(C)=C\c1cccc(Cl)c1	791099811	LEHXLHJLEAHCCR-NTMALXAHSA-N	301.864	3.871	50	20	DHGD	
Cn1c(/C(C#N)=C/c2c(F)ccc(O)c2F)nc2ccccc21	794931317	LEJOFZOPWFZGAW-CSKARUKUSA-N	311.291	3.621	50	20	DHGD	
Cc1cc2cc(/C=C(/C#N)C(=O)C3CCOCC3)oc2cc1C	794958720	ODIRMXUBYPBLJQ-YBEGLDIGSA-N	309.365	3.952	50	20	DHGD	
CCCN(N=C1CCOc2ccccc21)C(=O)OC(C)(C)C	794997785	FPTNJDNTPSDADF-UHFFFAOYSA-N	304.390	3.820	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)Nc1ccccc1C	798313899	WUFCREOFKFPUIL-AWEZNQCLSA-N	305.422	3.754	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(F)n1)c1ccc2ccccc2c1	804768173	QKLDCKCNVZRYLC-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C1(CC(C)C)CCC1	805386915	MSCQTHPXKRRQMK-UHFFFAOYSA-N	305.378	3.563	50	20	DHGD	
C[C@@H](CC(=O)NNc1nccnc1C1CCC1)CC(C)(C)C	805460259	HTZUDMDJDXEXPB-LBPRGKRZSA-N	304.438	3.650	50	20	DHGD	
Cc1oc2ccc(NC(=O)NNc3ncccc3F)cc2c1C	806433687	YQVDYYZSFATDMV-UHFFFAOYSA-N	314.320	3.732	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(/C#N)C(=O)c1ccoc1	806557247	PIZHRIOZQOXREE-GDNBJRDFSA-N	303.321	3.564	50	20	DHGD	
CCn1cc(C(=O)/C=C\c2ccc(OCCCCl)cc2)cn1	811689719	JWHZVEQIGJAJPR-TWGQIWQCSA-N	318.804	3.807	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1cc(F)ccc1F	851894847	BNTLMALJPIOXPO-CKLFPEKLSA-N	304.178	3.789	50	20	DHGD	
CC(C)c1ccsc1C(=O)NC[C@]1(C)C[C@@H]1Br	857399095	BNJFJDDHRBGTMF-GWCFXTLKSA-N	316.264	3.775	50	20	DHGD	
COc1cccc(C2(NC[C@H](CBr)C3CC3)CC2)c1	859234979	GCSDFNTUBKCDGW-ZDUSSCGKSA-N	324.262	3.695	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNCC(F)(F)C(F)(F)F)cc1	863096436	HXCUWEMNCXOXAM-SECBINFHSA-N	324.293	3.632	50	20	DHGD	
CC(=NNC(=O)c1cc(C)cs1)c1nc2c(s1)CCCC2	863155688	VCAUBGHBBKWWEX-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	866180369	OADYBDNMKWNJBL-WQRHYEAKSA-N	315.461	3.974	50	20	DHGD	
CC(F)(F)CC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912581703	IUOWJJWHSOLDPB-NSHDSACASA-N	307.457	3.654	50	20	DHGD	
CCCC1CCC(=NNC(=O)CNc2ccccc2F)CC1	915918969	GAEUEWXXDRVLPX-UHFFFAOYSA-N	305.397	3.700	50	20	DHGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1	920062982	MOINVZWPPIOXDT-JXAWBTAJSA-N	301.345	3.879	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1O	1320030819	KQNRUHTVYLLFLS-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
O=C(NCCCC(F)F)NNc1cc(Cl)ccc1Cl	1332376593	KPLUGVHPISLCJU-UHFFFAOYSA-N	312.147	3.665	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2cncn2-c2ccccc2)CC1	1340035642	UAQHSLAITUXHKY-UHFFFAOYSA-N	324.428	3.948	50	20	DHGD	
COc1ccccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	1083925	DOLRTQVUVZCXQN-JLHYYAGUSA-N	312.756	3.894	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C\c1cccc(O)c1	33315129	JNQIPZUMEUCYAC-JYRVWZFOSA-N	312.756	3.900	50	20	DHGD	
Cc1cc(C)cc(N(C)S(=O)(=O)c2ccc(CCl)cc2)c1	88941087	HZKUJSSHWYEAQT-UHFFFAOYSA-N	323.845	3.867	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1Cl)C(=O)Nc1ccncc1	95452282	BKYYJSCMDKIPMU-XFFZJAGNSA-N	318.163	3.934	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@H]1C[C@@H]1c1cccc(Cl)c1	114884261	PARHGOYYXRREHW-NEPJUHHUSA-N	322.195	3.635	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(F)cc(Cl)c1O	120411372	KYXRYSFGHNEXRX-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
Cc1ccc(NNC(=O)CCC(=O)c2ccc3c(c2)CCC3)cc1	124109564	KBOVAXYVBMVSRZ-UHFFFAOYSA-N	322.408	3.590	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cncc(-c2ccccc2)c1	137119281	LUZJZKLNUZLYCN-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CCCOc1ccc(CCC(=O)NNc2ccccc2F)cc1	152997298	YOXUFMHMMDSELH-UHFFFAOYSA-N	316.376	3.690	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1cccc(C(F)(F)F)n1	155956810	JEWCCNCTLXYMBF-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(Cc3ccccc3)s2)cc1	158648349	OEHGKRXJBBMNOZ-UHFFFAOYSA-N	323.421	3.799	50	20	DHGD	
N#C/C(=C\c1csc2ccccc12)C(=O)Nc1ccncc1	160767028	PHLGVGUOXMUPMM-FMIVXFBMSA-N	305.362	3.842	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(Br)c(C)c1)C1CC1	172271008	DWOHFXQESBKXGJ-CMDGGOBGSA-N	309.207	3.557	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)cc1	175480009	CQDFBXUKQYBKJX-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CSc2ccncc2)cc1	181122862	PLGSDBBDDDWMCY-UHFFFAOYSA-N	315.442	3.615	50	20	DHGD	
CC(C)c1nc(C(=O)NNc2ccc3ccccc3n2)cs1	181149455	RCWGVMBWFJLNSX-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC([C@@H]2CCCO2)CC1	189180140	HUCLYGMYRFFFNO-PNWYBZRESA-N	300.377	3.581	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(n2cccn2)CC1	367384125	GEFKXTYTQQVZAT-UHFFFAOYSA-N	309.530	3.542	50	20	DHGD	
Cc1ccncc1/C=C/C(=O)NNc1c(Cl)cccc1Cl	492473448	NHXDMJKCTUQANV-AATRIKPKSA-N	322.195	3.853	50	20	DHGD	
C[C@H]1CCCC1=NNC(=O)Cc1nc(-c2ccccc2)cs1	729142586	AEENCNPKDXSZNI-LBPRGKRZSA-N	313.426	3.645	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(F)cc1)c1ccccc1O	741159975	IDCOAVOBWRHKOH-CQSZACIVSA-N	312.344	3.585	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1oc(C(C)C)nc1C#N	742596612	YTLWKFISCADTKG-LBPRGKRZSA-N	306.410	3.719	50	20	DHGD	
Cc1[nH]ccc1C(=O)NN=C(c1ccccc1)c1ccccc1	749887669	JIKQAXVQNJNEFV-UHFFFAOYSA-N	303.365	3.506	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1ccc(-c2ccccc2)nn1	754470540	VUKLWNQOPLRUTC-UHFFFAOYSA-N	324.428	3.947	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]2C=C[C@H]1C2)c1c(Cl)cccc1Cl	755698040	NTZCZKLBQOHWHV-DCAQKATOSA-N	309.196	3.921	50	20	DHGD	
C=C[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	757013746	UZOWOXPTFGOSBO-DZBQEORWSA-N	313.445	3.749	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C2(CC(C)C)CCCC2)c1	759312281	ZYACQELPYBQWCP-UHFFFAOYSA-N	308.397	3.884	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)Oc1ccc(Cl)cc1	760518049	SOYIHIBCQUFWMZ-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C(CC)(CC)CC)c1ccccc1	760523353	VHGMEBKFTGYDFK-HNNXBMFYSA-N	304.434	3.544	50	20	DHGD	
COCc1ccc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)no2)o1	764412692	UBBMEXAXGUHBSS-NTEUORMPSA-N	321.336	3.849	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)o1	764413255	XSWCJQHQMRGLRU-XYOKQWHBSA-N	306.321	3.697	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(C)c1OC(F)F	777872544	WGIRRJQUQIIBOM-GXDHUFHOSA-N	322.355	3.810	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)c1nc(-c2ccccc2)no1	782181113	XBVLCPFTSMHLQT-DHZHZOJOSA-N	324.321	3.770	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1ccc(-c2ccc(F)cc2)s1	782237586	MDUYJHPAAPDQRE-UHFFFAOYSA-N	312.316	3.660	50	20	DHGD	
CC(C)=CCNC(=O)NNc1nc(Cl)c(Cl)cc1Cl	790535187	GWLLDINFWKFFSK-UHFFFAOYSA-N	323.611	3.634	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(-c2ccccc2F)s1	794955889	HNQFXCGBOVVEJW-UHFFFAOYSA-N	306.362	3.976	50	20	DHGD	
C=C(CBr)COC(=O)[C@H]1C[C@@H]1c1sccc1C	795562047	NCNFVKBEHOHJMC-QWRGUYRKSA-N	315.232	3.654	50	20	DHGD	
N#CC(C#N)=CNc1cc(F)c(Br)cc1Cl	798343461	HEPJTPFIHBEZGA-UHFFFAOYSA-N	300.518	3.585	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C[C@H]1CC[C@@H](C)C1	800816523	MMNPYWOASCZKAY-AGIUHOORSA-N	308.809	3.646	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)C(C1CCC1)C1CCC1	803040034	RGCXAWUPUDVUEC-UHFFFAOYSA-N	309.413	3.894	50	20	DHGD	
CCc1ccccc1NC(=O)NNc1ccc([N+](=O)[O-])cc1C	806138452	ZXXYDDWPPNLEML-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
Cc1ccccc1-n1cc(/C=C(/C#N)c2nc(C)c(C)s2)nn1	806572880	BDTVASPSKRRXCT-ZSOIEALJSA-N	321.409	3.713	50	20	DHGD	
Cc1csc(CNCc2ccc(OCCCCl)cc2)n1	811472349	BHSRZSQSBAPXDC-UHFFFAOYSA-N	310.850	3.749	50	20	DHGD	
COCCC1(CNC(=O)NNc2c(C)cccc2C(C)C)CC1	813109858	XBGHRFVHBLRSAE-UHFFFAOYSA-N	319.449	3.561	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccco1	860312995	ZOUKMISLSVCOHT-JTQLQIEISA-N	312.291	3.935	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1c[nH]cc1C1CC1	878062987	FVCCTOSTFNOCLI-UHFFFAOYSA-N	309.291	3.668	50	20	DHGD	
CCC(=NNC(=O)COc1ccccc1CC)c1cccs1	916303764	QTLWPSAQMRNTLW-UHFFFAOYSA-N	316.426	3.620	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)COc1ccccc1C#N	916323996	OIDKLPKYASSRMV-UHFFFAOYSA-N	315.417	3.501	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1cccc(Oc2ccccc2)c1	920830407	DFRHINBUNXJAIQ-UHFFFAOYSA-N	309.369	3.522	50	20	DHGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNc1cccc(C#N)c1	1350441772	VPLOGXAGTBMVRZ-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1OC	6657039	QKWNWGDFOXHJNX-PTNGSMBKSA-N	322.364	3.640	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1F)c1ccccc1	7157155	RGIQTVHTEHQQRQ-KMHUVPDISA-N	312.319	3.749	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1ccc(OC(F)F)cc1	122152111	QYXDSMDUSVCCAV-UHFFFAOYSA-N	320.339	3.672	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccnn2CC)c1C	152161532	INYSQEKJYXAABO-RVDMUPIBSA-N	310.401	3.521	50	20	DHGD	
CC(=O)c1cccc(NC(=O)NNc2ccc3ccccc3n2)c1	170698804	UXTMWNKVYUADGF-UHFFFAOYSA-N	320.352	3.586	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cccc(OC2CCCC2)c1	171705351	FPFBEDKQTCSIOE-UHFFFAOYSA-N	314.360	3.904	50	20	DHGD	
Cc1ccnc(NNC(=O)c2oc3c(C)ccc(C)c3c2C)c1	176743493	ZHFUVRISPVISEI-UHFFFAOYSA-N	309.369	3.818	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2c(C)cccc2F)cc1	184351416	LWDODDQNUUQWNZ-UHFFFAOYSA-N	314.360	3.549	50	20	DHGD	
C[C@H](CO)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	192259779	QAQQBFILPGAWPN-SSDOTTSWSA-N	320.283	3.846	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2)c2ccccc2n1	192747535	FTIOZKKQBYKADF-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C=C(CBr)CN(C)[C@H](C)c1sc(CC)nc1C	279742745	PDSKXGSDNKMOSK-LLVKDONJSA-N	317.296	3.958	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)c1ccc(Cl)nc1	727256127	WATBAGUGUWSFTC-UHFFFAOYSA-N	315.804	3.864	50	20	DHGD	
O=C(NN=C1CCCCC1)c1cc(F)ccc1Br	728437462	DPHIABDMPOZWIC-UHFFFAOYSA-N	313.170	3.638	50	20	DHGD	
CCc1ccc(O)c(C(=O)NNc2cccc(C(F)(F)F)c2)c1	728716639	JBJIWELHORBSDD-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)c1cc(C)nc2ccccc12	729632729	GLRXEOZYIWOIOD-UHFFFAOYSA-N	323.421	3.953	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1C	731156865	OADQEXSGABMTLQ-XNTDXEJSSA-N	320.348	3.547	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(F)cc1C	731314838	VPNMBMQAVRWHBG-UHFFFAOYSA-N	320.751	3.647	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)c1C	732804564	PPUXNPSAHHJNBX-ATVHPVEESA-N	307.397	3.695	50	20	DHGD	
CCC(Cc1ccccc1)=NNC(=O)c1ccc(O)c(Cl)c1	734094162	GWVBDCDRHRFVMI-UHFFFAOYSA-N	316.788	3.784	50	20	DHGD	
CC[C@H](Cc1ccccc1)NC(=O)NNc1c(F)cccc1F	735760443	XIQLGJHUSFDUEQ-CYBMUJFWSA-N	319.355	3.612	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC(C)(C)CC2)cc1	735972063	JZPCLBSDYAYYJK-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1)c1ccc(Cl)cc1F	747646193	MCRMBFCNXLZCJQ-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1ccccc1Cl	749748098	WPZIZBWPSWHYHX-UHFFFAOYSA-N	300.789	3.813	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1cc(C#N)cc(Cl)n1	755715739	VORIGUWMGWALBN-SNVBAGLBSA-N	308.813	3.512	50	20	DHGD	
CCc1c(C(=O)NNc2cccc(C)c2)cnn1CCC(C)C	757667122	WCCSCFPCISBXOQ-UHFFFAOYSA-N	314.433	3.557	50	20	DHGD	
O=C(NN=Cc1nc(Cl)cs1)c1cccc2ccccc12	758118149	PFTYGKHIEDXJFO-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)nc1)c1cccc(Cl)c1	769150654	LQGHDBMRSALYRL-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
C/C(=C/C(=O)OC[C@@H](C)CBr)c1ccc(F)cc1	770363514	WIFVURMPVSBSKR-QBQSQJOESA-N	315.182	3.803	50	20	DHGD	
Cc1ccccc1OCCCN(C)C[C@@H](C)CBr	770648914	YVBZLOORBSNUPL-ZDUSSCGKSA-N	314.267	3.727	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1ccc2sccc2c1	772887631	BNIHUZJBQXBTBR-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
CCc1cccc(C)c1NC(=O)NNc1cnc2ccccc2n1	775408513	CHIAZUCOGYNSQQ-UHFFFAOYSA-N	321.384	3.649	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2c(F)cccc2Cl)cc1Cl	777793140	VCEBZNWBDNZDGH-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2cc(Cl)ccn2)cc1	778453346	QHDIRWRODGEAQW-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
CCc1ccc(CNC(=O)[C@H](Br)C(C)(C)C)s1	781075222	PMTFQFKRUAPJLN-NSHDSACASA-N	318.280	3.736	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	782016599	HCARIJYKCGAXQN-SNVBAGLBSA-N	316.323	3.855	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)c1c[nH]c2ccccc12	782120709	ZCWINXWCMHIMIM-UHFFFAOYSA-N	303.774	3.647	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccnc2cc(Cl)ccc12	785874023	XCQVTTYINXBXNL-MRXNPFEDSA-N	303.793	3.934	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccccc2OC)ccc1Cl	788541682	ZQASFLPRDOKSLO-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
COc1cc(NNC(=O)/C=C\C2CCCCC2)ccc1Cl	790189970	WKJQOEXIVJNHTF-YFHOEESVSA-N	308.809	3.928	50	20	DHGD	
Cc1csc(C(=O)NNc2cc(F)c(F)cc2F)c1Cl	790809170	UVQYSAIGEJJXKE-UHFFFAOYSA-N	320.723	3.884	50	20	DHGD	
CSSCCNC(=O)CCCc1cc(C)sc1C	791099437	IVXXBGBRXGKHMQ-UHFFFAOYSA-N	303.518	3.815	50	20	DHGD	
N#Cc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791715880	VJWOCKIZTOBNMJ-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc([N+](=O)[O-])cc2)c(C)cc1Cl	793704028	ASJPKNLURSDUQJ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802023207	NWPNSEYSINLPTI-LLVKDONJSA-N	323.824	3.709	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccccc1Nc1ccccc1	804214441	XEVPXFKJAHYWOO-UHFFFAOYSA-N	322.343	3.721	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1ccccc1C(F)(F)F	808247002	PZHZEHYWEJEQDD-UHFFFAOYSA-N	314.134	3.510	50	20	DHGD	
CO[C@]1(C)CCCN(CCO[Si](C)(C)C(C)(C)C)CC1	808755999	UHIUYGPGLAGGQY-MRXNPFEDSA-N	301.547	3.899	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnc2ccccn12	812763563	UTCQPPPVARUJNC-UHFFFAOYSA-N	308.385	3.523	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC[C@@H]2C2CC2)c(C)n1-c1ccccc1	814704249	LLJIIKVMDPSCPJ-QGZVFWFLSA-N	321.424	4.000	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCCC[C@H]2C2CCCCC2)n[nH]1	814876236	OLCPUGSEBRSHAJ-AWEZNQCLSA-N	302.422	3.574	50	20	DHGD	
O=C(NN=Cc1cccc2[nH]ccc12)Nc1cc(F)cc(F)c1	815007100	NURUBWUNKFSMHM-UHFFFAOYSA-N	314.295	3.602	50	20	DHGD	
CC(C)(CC(=O)NNc1ccccc1OC(F)(F)F)C1CC1	816202196	HGPMFXMMLXFNPB-UHFFFAOYSA-N	316.323	3.855	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C)cc(Cl)c2)cc1	817925516	HNFGORPQKKITGY-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747944	ORCQVGFODRXNTR-SCZZXKLOSA-N	302.205	3.658	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)C[C@H]1C	825997823	QARQWSPXRRCPQY-GMTAPVOTSA-N	315.339	3.616	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@H](C)C1	832969032	UVKSSORTIVHNJU-NXEZZACHSA-N	315.339	3.616	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1OCC(C)C	834446555	ARJWVIVSBZUTID-RIYZIHGNSA-N	319.376	3.954	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	834733536	MZTOPAIUGCHGET-RAXLEYEMSA-N	314.385	3.987	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCCc1cscn1	837373373	WEWKNIATUXACOI-LBPRGKRZSA-N	317.501	3.943	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1	838061755	UVRMEDFLZHKFGQ-UWXVCKHVSA-N	324.424	3.964	50	20	DHGD	
CCOc1ccc(C[C@H](C)C(=O)NNc2ccc(C)cc2)cc1	839498043	LKXQGNCOQQCFMO-HNNXBMFYSA-N	312.413	3.716	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849179713	VYECTICYESGCJT-IUYQLWOBSA-N	313.397	3.767	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCCC[C@H]1C(F)(F)F	869286545	IILYCDXNMVSDHQ-VHSXEESVSA-N	321.730	3.547	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1cc(Cl)ccc1F	871269205	AHPGNCQRHCXTAI-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
CC(C)C[C@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	915912518	PZTAZPOTVMLPCZ-SFHVURJKSA-N	322.412	3.972	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cc2ccccc2nc1Cl	916266564	FBIGOAVIPQAEAT-UHFFFAOYSA-N	305.765	3.747	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(C)cc(C)c2)cc1	921259021	HIGNKGFRFFLXHB-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](c2cccnc2)C(C)C)cc1Cl	1321124694	BIPMCYSAVYFYOC-INIZCTEOSA-N	317.820	3.926	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)c1	1337903277	XOLMBESFPAWAGL-XNTDXEJSSA-N	300.365	3.893	50	20	DHGD	
CC1=C(C)C[C@@](C)(C(=O)NNc2ccc(C)c(C(=O)O)c2)CC1	1594110330	UIAGTEMXXWAQDF-SFHVURJKSA-N	316.401	3.663	50	20	DHGD	
O=C(NNC(=O)Nc1cccc2ccccc12)Nc1ccccc1	11007426	IAUHIHMMMRJKNW-UHFFFAOYSA-N	320.352	3.698	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)c1	63277536	RTTZYSXWSLVAOY-JYRVWZFOSA-N	309.369	3.506	50	20	DHGD	
C[C@H](c1cccc(Cl)c1)N(C)S(=O)(=O)CCCCCl	88949759	QNGYHMDUWOOFQF-LLVKDONJSA-N	324.273	3.682	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CCCc2sccc2C)c1	130905563	SKTXHMOXNPOYSR-UHFFFAOYSA-N	322.405	3.670	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2C1	176977764	OMWYJCUUTFLBEZ-NVMNQCDNSA-N	305.337	3.518	50	20	DHGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)NC2CC2)cc1	208719313	WVLFWTZEEYUNHI-SSZFMOIBSA-N	312.413	3.831	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1cc2ccccc2o1	252457387	DPIGDBMHESLMNU-UHFFFAOYSA-N	310.328	3.655	50	20	DHGD	
C[C@H]1CCc2[nH]c3ccc(C(=O)N4CC=C(C#N)CC4)cc3c2C1	272484611	ACPRWSZSMHDGLX-ZDUSSCGKSA-N	319.408	3.589	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)c1cc(Cl)ccc1O	730947837	LLWQJNWPWIRFLT-UHFFFAOYSA-N	322.817	3.846	50	20	DHGD	
C[C@H]1CC[C@H](NC(=O)NNc2ccccc2C(F)(F)F)CC1	731121990	UVYPMYCOMVFNGK-XYPYZODXSA-N	315.339	3.910	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(F)nc1	733908669	VAIAULJLAXVAAJ-UHFFFAOYSA-N	307.328	3.704	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C)cc1	734094700	SSIYSYWAWGKCIG-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc2ncccc2c1	734250085	PGQZWXCCFVHOGT-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2c(F)cccc2F)cc1	735694757	SBVLEYUZMZVUQQ-UHFFFAOYSA-N	306.312	3.509	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)Cc1cccnc1	740761586	AGNKFNZSZYHUPL-UHFFFAOYSA-N	309.413	3.529	50	20	DHGD	
O=C(NNc1nc(-c2ccccc2)no1)C1CCCCCCC1	741687885	VSBWLSCGWYWJFR-UHFFFAOYSA-N	314.389	3.540	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCc2c(O)cccc21)c1ccccc1	743440968	AELSKAFUAQMXBS-HNNXBMFYSA-N	322.408	3.743	50	20	DHGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)NC1CCCCC1	747740248	IRTIOPVWQMYBCQ-UHFFFAOYSA-N	322.412	3.714	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1cc(C)cc(C)c1	748365673	JIPLGHMOUUMBES-QGZVFWFLSA-N	312.413	3.913	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1c[nH]cc1-c1ccccc1	748549445	YKDNHNAKQJXWOA-UHFFFAOYSA-N	309.344	3.886	50	20	DHGD	
COc1ccc2c(c1)C(=NNC(=O)c1cc3ccccc3o1)CC2	749823121	IQCOIWRNIAODJS-UHFFFAOYSA-N	320.348	3.522	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1cc2ccccc2o1	749824183	YLAUMDMGAXEQHX-UHFFFAOYSA-N	304.758	3.912	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(F)cc1O	750537444	VZLRRFKXBGAMNY-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CCc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1O	751366463	FYTNYCZJYSJZKQ-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
COCCCC(C)=NNC(=O)c1ccc(OCCC(C)C)cc1	759184398	CFRAGYFWLAYCJJ-UHFFFAOYSA-N	320.433	3.644	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(F)c(C(F)(F)F)c(F)c1	760458626	BQLJPMANJGWHQL-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)CC2CCC(C(C)(C)C)CC2)o1	765503542	YYOALAVXAXYIRU-UHFFFAOYSA-N	320.433	3.592	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(O)c(Cl)c1	768300242	QZCYDKXUTUCNMP-SNVBAGLBSA-N	320.614	3.794	50	20	DHGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	775887365	OHMHVLQEPRPVPI-HZMBPMFUSA-N	318.314	3.970	50	20	DHGD	
CC(Cl)(Cl)C(=O)NNc1c(Cl)cc(F)cc1Cl	777100023	IXQUNMBCYAATMD-UHFFFAOYSA-N	319.978	3.769	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1ccc(C(C)(C)C)cc1)C(C)C	780802042	CGWCSKVZJNRSPK-INIZCTEOSA-N	306.450	3.878	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)c1cccc2ncccc12	782229538	DXABFGAOKXZAEJ-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc2c1OCC2)C(=O)C1CCCC1	782887973	QXNSDZZVFWBDHW-VGOFMYFVSA-N	301.773	3.941	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC3(CCCCC3)CC2)cs1	786037576	IYXCBQTXRGZWLB-UHFFFAOYSA-N	319.474	3.991	50	20	DHGD	
CSSCCNC(=O)c1occc1COc1ccccc1	791096627	GNXDYBWLRIVCGI-UHFFFAOYSA-N	323.439	3.600	50	20	DHGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)c1ccccc1	794864368	DBZVFEIHLIBCKZ-NTCAYCPXSA-N	317.323	3.801	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1C[C@@H]1c1cccnc1	798144963	DUZRTWFNSBPYIV-ZNMIVQPWSA-N	322.499	3.768	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnn(-c2ccccc2)c1	799754192	DFRURSUJOTZGGF-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)Oc1cccc(C)c1	799758000	SNWWVOPUBDJSKV-HNNXBMFYSA-N	312.413	3.776	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)CCCCC(C)(C)C)c1	805156381	SLWIPVFMYCJWKV-UHFFFAOYSA-N	321.490	3.919	50	20	DHGD	
CC[C@@H]1CO[C@H](C)CN1Cc1ccc(OCCCCl)cc1	811453391	LMUCXWTYBQLVSI-GDBMZVCRSA-N	311.853	3.694	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCCC23CCCC3)nc1	812930560	OKANOLGSNYGYJM-CQSZACIVSA-N	302.422	3.519	50	20	DHGD	
CN(NC(=O)Nc1ccc(SC2CCCC2)cc1)C1CC1	824031664	RYUBLUVNJWOSRL-UHFFFAOYSA-N	305.447	3.852	50	20	DHGD	
CC(C)COc1ccccc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	834438210	KGLOPSPAXFLKNT-KFXAOSDLSA-N	313.397	3.624	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(C(C)C)cc1)c1ccncc1	838489941	FRPFJKLKDMYCOR-QGZVFWFLSA-N	312.417	3.982	50	20	DHGD	
CN(C)C(=O)c1ccccc1OCCO[Si](C)(C)C(C)(C)C	853674677	FROGYQOKRWVDNB-UHFFFAOYSA-N	323.509	3.789	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NC[C@]1(C)C[C@@H]1Br	857398542	RXSOTVGKVWUYPM-YCPHGPKFSA-N	324.262	3.545	50	20	DHGD	
Cc1ccccc1OCCCC(=O)NNc1ccccc1Cl	874350099	JZSUZYGMAPTEGD-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2cc(Cl)ccc2C)CCO1	885126751	FJTIBJYOAZZWPX-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
CCC(=NNC(=O)CNc1ccccc1)c1cccc(Cl)c1	915917486	ASYTXZMKMFHLIB-UHFFFAOYSA-N	315.804	3.682	50	20	DHGD	
CCN(CC)C[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	921079317	UYNMQDQVGUBWDS-UONOGXRCSA-N	318.552	3.547	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(Cl)c(C)c2)n1	928341279	VQEUHDSYFXUHFK-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)c1ccncc1	1317700403	WDXCQSVGLOKOGZ-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
Cc1cc2c(cc1[N+](=O)[O-])N(C(=O)C1CCC(Cl)CC1)CC2	1346734047	CGYFJPPYWVUNBO-UHFFFAOYSA-N	322.792	3.590	50	20	DHGD	
O=C(NCc1ccnc(C(F)(F)F)c1)C1CCC(Cl)CC1	1347020607	HZAVTHMWGOVXTL-UHFFFAOYSA-N	320.742	3.514	50	20	DHGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccccc1-c1nn[nH]n1	1592794258	LVIZMOSAQWAPRB-HJWRWDBZSA-N	324.771	3.502	50	20	DHGD	
CC(CCC(C)(C)C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045201	CJKOEFYDHQQSIE-UHFFFAOYSA-N	305.378	3.709	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1C	44023845	JSNJLSRKEJSOGD-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc2ccccc2cc1O	66776085	XVPDDJZUBLXPIY-UHFFFAOYSA-N	314.291	3.581	50	20	DHGD	
CC(=O)Nc1cccc2c1CCN(/C(=C/C#N)c1ccccc1)C2	79317202	DXLVRTKMNRNVGF-KEBDBYFISA-N	317.392	3.568	50	20	DHGD	
O=C(NNc1ccccc1F)C1(c2ccc(F)cc2)CCCC1	153306665	PEXUNWVJGLGTIP-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCC[C@@H]1C(F)(F)F	158113771	LPHXKBXIBAHJJY-ZJUUUORDSA-N	322.277	3.777	50	20	DHGD	
Cc1cscc1C(=O)NNc1cccc(C(F)(F)F)c1	175077969	ZMYQJYQQOGBQNN-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C#N)cs2)cc1	255293741	DTTLGPBGSGUTAD-MDWZMJQESA-N	323.377	3.564	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c1	272911553	YYUUUZSELYFOIJ-WBVHZDCISA-N	304.434	3.588	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1cccc2ccsc12	395310297	ZWNSMHYYONDKMQ-UHFFFAOYSA-N	303.836	3.662	50	20	DHGD	
Cc1ccccc1[C@H](NC(=O)NNc1cccc(C#N)c1)C1CC1	732894611	NJQPPRQRVMCZEI-GOSISDBHSA-N	320.396	3.644	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NN=C1CCC[C@@H](C2CC2)C1	737420499	KAMXEWPPDKFMBK-CYBMUJFWSA-N	320.820	3.791	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NN(C)c1ccccc1	743291915	VLZQMFZGIGQCGE-CQSZACIVSA-N	300.377	3.562	50	20	DHGD	
O=C(CCc1ccc(Cl)s1)NNc1ccc(Cl)nc1	743818230	OKXFPVBACWXGAK-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1cc(C=NNC(=O)OC(C)(C)C)ccc1Br	746366456	MZIGFWXGRDVZHX-UHFFFAOYSA-N	313.195	3.616	50	20	DHGD	
C[C@H](CSCc1ccccc1)C(=O)NN(C)c1ccccc1	749183537	KRVNRWQIDQXONZ-OAHLLOKOSA-N	314.454	3.724	50	20	DHGD	
Cc1cccc(CN(C)/C(=C/C#N)c2cccc([N+](=O)[O-])c2)c1	750037819	CIVQIDDTVCAULQ-GIJQJNRQSA-N	307.353	3.900	50	20	DHGD	
Cc1cccc(N2CCN(/C(=C/C#N)c3ccccc3)CC2)c1	750600030	PRDZPBCHBSOSSN-KEBDBYFISA-N	303.409	3.682	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1sc(C(C)(C)C)nc1C	752172643	PDHFCFPJYXYRNF-UHFFFAOYSA-N	319.430	3.804	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756018293	UUUBVSGCUZTJAP-HZSPNIEDSA-N	317.389	3.644	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(-c2ccccc2)ccc1OC	756825717	KCVVGSLHSDTUSJ-AWEZNQCLSA-N	310.397	3.858	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1cc(C)ccc1F	760141300	QQKAFQIQEWSMSR-KRWDZBQOSA-N	316.376	3.743	50	20	DHGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)c1ccsc1	765502455	JORWIUNKIBNNKV-POHAHGRESA-N	308.284	3.952	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1nccnc1C(C)C	772894587	ZOZCKMMQEZWULB-AWEZNQCLSA-N	312.417	3.545	50	20	DHGD	
CC(C)(C)c1ccc(/C=C\C(=O)NCCCSC#N)cc1	773586476	FLHMJPJULMSGLF-YFHOEESVSA-N	302.443	3.718	50	20	DHGD	
Cc1c(NC(=O)NNc2cccc(Cl)c2)cccc1[N+](=O)[O-]	775435480	WJLGYGJSLXZPCU-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(F)ccc2C)cc1	777912308	OLYMEWSWIURREA-LICLKQGHSA-N	315.369	3.781	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1nc2ccc(OC)cc2cc1C	778480769	NNOMISGIKDQMRH-UHFFFAOYSA-N	315.417	3.821	50	20	DHGD	
C=CC[C@@H](C(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	779010350	MMMCYCLTDVPZMV-GFCCVEGCSA-N	320.314	3.907	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc3c2OCC3(C)C)c1	789996642	SNLQBSIMXMNZTF-UHFFFAOYSA-N	310.397	3.730	50	20	DHGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccc(Cl)cc1	790469013	IFQCNDYXQGMDLA-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CSCCC=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	793299020	WDGGQUHQFKISAB-UHFFFAOYSA-N	315.442	3.563	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc3occc3c2)cc1	794686946	QFDQLXDWWMDMBL-RVDMUPIBSA-N	318.332	3.987	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1cc(OC)cc(OC)c1	797400148	PAIUOZMDZFMJCU-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H]1CC(C)(C)CCc2ccccc21	799742027	WGXDSEKEJVHVDI-LCJXNMAOSA-N	312.413	3.650	50	20	DHGD	
O=C(NNc1ncccc1F)c1sc2ccccc2c1Cl	804220088	NRWOTNMJVUZVLO-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2nccnc2C2CCC2)CC1	805467651	FNKGUOWKRDATTG-CTYIDZIISA-N	316.449	3.650	50	20	DHGD	
Cc1cnc(COC(=O)CCCC[C@@H]2CCSS2)nc1	808494641	PYZYECNAFMJXNE-GFCCVEGCSA-N	312.460	3.542	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1c(C)cccc1C(C)C	812765853	XUWVIZVFIXTABF-UHFFFAOYSA-N	304.434	3.957	50	20	DHGD	
CCSc1cccc(CNC(=O)NNc2ccccc2)c1	813843301	LTNLBBZXMDZBDR-UHFFFAOYSA-N	301.415	3.625	50	20	DHGD	
CCC(=NNC(=O)CCCc1ccccc1)c1cccc(N)c1	814833855	SDJSTISGTLOZGX-UHFFFAOYSA-N	309.413	3.522	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2c[nH]c3ccccc23)cc1	817904393	FDRZAOSHVJFYNE-UHFFFAOYSA-N	323.396	3.643	50	20	DHGD	
Cc1cc(F)c(/C=C(\C#N)c2nnc3n2CCCCC3)c(F)c1	818995555	DCTRNFJOYHYXDF-FMIVXFBMSA-N	314.339	3.655	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NNc1ccc(OC(F)F)cc1	830810520	PWGMLQXDXUHUMF-CQSZACIVSA-N	304.312	3.650	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(C)cc2Cl)CCO1	836935830	BUZVTQHTCXWNAJ-STQMWFEESA-N	310.825	3.687	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CSCc2cccnc2)cc1	837055556	IGSDDPZLKKELLP-UHFFFAOYSA-N	315.442	3.582	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1)C1CC1	846378972	PYWWGFYAHUOKJH-ZETCQYMHSA-N	306.715	3.848	50	20	DHGD	
C[C@@H](OC(=O)CCCC[C@@H]1CCSS1)c1nccn1C	851582432	YTSKYHIWGYWSNT-VXGBXAGGSA-N	314.476	3.738	50	20	DHGD	
CC(C)(C)c1ccccc1NC(=O)NNc1ncc(Cl)cn1	856809492	BXQPCCFNPYKURE-UHFFFAOYSA-N	319.796	3.576	50	20	DHGD	
CC(C)[C@H](CC(F)(F)F)NC[C@H](CBr)C1CC1	859269634	FALGHGYHPUWKTI-QWRGUYRKSA-N	316.205	3.974	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)C(=O)C2CCOCC2)cc1C	871665420	LENYOSZRNVXHIW-ATVHPVEESA-N	313.397	3.687	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1ccc(F)cc1)c1ccccc1	916201845	FQDKZXBQEDFMRE-MRXNPFEDSA-N	301.365	3.849	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=Cc2ccc3ccccc3c2)c1	916279340	XHIABNNANPLSJP-UHFFFAOYSA-N	317.392	3.670	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	916349100	QWULRVPTEYTGKL-LBPRGKRZSA-N	306.406	3.634	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C2\COc3ccc(F)cc32)cc1	918154337	KLGHFZQLANRBCX-WUKNDPDISA-N	322.339	3.696	50	20	DHGD	
N#C/C(=C\c1ccccc1OC1CCCC1)C(=O)NC1CCCC1	920065956	ORQPKBPYQVCWAR-DTQAZKPQSA-N	324.424	3.974	50	20	DHGD	
COc1c(F)cc(NC(=O)C2CCC(Cl)CC2)cc1F	1123505612	QIUHIEKWNXXRBB-UHFFFAOYSA-N	303.736	3.710	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H]2CCCC[C@@H]2C1	1320270346	CUFSOQXEEVGRMK-YNEHKIRRSA-N	316.283	3.835	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@H](c2ccccc2)C1	78686064	YWLPOZNTPPATJW-UDKWZTAFSA-N	308.356	3.764	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3c(F)cccc3F)csc2C1	118517182	HQEPVMLIVUQASK-VIFPVBQESA-N	322.380	3.908	50	20	DHGD	
Cc1cc(C)nc(NC(=O)NNc2ccc(C(F)(F)F)cc2)c1	128872935	HQMCBQXFUJCDON-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2Br)C1	153529754	DRPSVDKSPWXCCB-GHMZBOCLSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(F)c(F)c2F)c(C)c1	155257741	UFQAPUSTIDQGDU-UHFFFAOYSA-N	308.303	3.786	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C(C)(C)c2ccc(F)cc2)c1	161045829	NYYNSBCAAKAMAV-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
C[C@H](Cc1ccccc1F)C(=O)NNc1cccc2cnccc12	178508150	KIUYPHCMQUOVJY-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2cccc3cnccc23)s1	178521754	VQSJJKVPDKTINU-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
C/C(=C\C(=O)NNc1ccncc1)c1ccc(C(F)(F)F)cc1	180501757	PBTHTYXOXOMAOS-ZHACJKMWSA-N	321.302	3.647	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)c1ccccc1OC(F)F	183408974	PXCFHUFCIMPQBB-UKTHLTGXSA-N	314.291	3.781	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2c(C)cccc2F)cc1C	184575236	LSEYBMJEVWYWCI-UHFFFAOYSA-N	315.348	3.794	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)COc2ccc3ccccc3c2)C1	257354099	VSGAHMGXEMOOKM-AWEZNQCLSA-N	310.397	3.901	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC=C(C(F)(F)F)CC1	270142062	DSKBTIAWAIOBJL-CPSFFCFKSA-N	323.274	3.654	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H]1CCCC12CCOCC2	367322133	NPZUORWJRBIMAG-OAHLLOKOSA-N	313.558	3.947	50	20	DHGD	
Cc1ccc(OC(F)F)c(C=NN(C)C(=O)OC(C)(C)C)c1	493242981	FBHCKJRDXWKJQE-UHFFFAOYSA-N	314.332	3.797	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccnc2C)c1C	728909764	JSJFLOXVUVKXRS-BOPFTXTBSA-N	305.381	3.784	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(Cl)cc1)c1ccccc1	731931176	YTGQBQXDIDQYIP-MRXNPFEDSA-N	300.789	3.984	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1N1CCC(=NNC(=O)OC(C)(C)C)CC1	733901513	AGNRBBIAEKYXFK-HIFRSBDPSA-N	309.454	3.542	50	20	DHGD	
Cc1cc(OC(=O)c2cnc3ccsc3c2)ccc1[N+](=O)[O-]	741889143	QSCWATBJZAXZGP-UHFFFAOYSA-N	314.322	3.732	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc2nc(C3CC3)sc2c1	746349530	RTIDPQIQGGWHSF-PKNBQFBNSA-N	313.382	3.556	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1cc(F)c(F)c(F)c1	746703391	VFRWSEHHIFATMQ-UHFFFAOYSA-N	324.302	3.648	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2cccc3c2CCCC3)s1	748573955	QTECDKQNUQSSRV-UHFFFAOYSA-N	315.442	3.650	50	20	DHGD	
CC(=NNC(=O)C1CCC1)[C@@H](C)c1nc2ccccc2s1	748788969	WXSOFYSVNQKMDB-SNVBAGLBSA-N	301.415	3.692	50	20	DHGD	
Cn1ccc(C=NNC(=O)c2cc3c(s2)CCCCCC3)c1	749854280	KYGGRCLRGDHCOI-UHFFFAOYSA-N	315.442	3.510	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@H]1Cc1ccccc1	752316368	XFNGIMHZEVECFS-JHBOHYQCSA-N	319.364	3.776	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)CCc2c(Cl)cccc21	758039531	LVNPQZOHIQWORY-WQLSENKSSA-N	321.207	3.988	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761394992	XZDIOXZFGHJNCM-RMKNXTFCSA-N	300.116	3.769	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccn(C)c2)cc1	763278102	VGKZLAXHHMMMNC-SFQUDFHCSA-N	307.397	3.913	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H]1CCC(F)(F)C1	764379005	PKLPNADXXCFZSH-MRVPVSSYSA-N	323.265	3.519	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(O)c(Cl)c1	768300239	QZCYDKXUTUCNMP-JTQLQIEISA-N	320.614	3.794	50	20	DHGD	
COc1ccc(Cl)cc1C(=O)OC[C@H](C)CBr	770304121	JSJZVTJFRABOCQ-MRVPVSSYSA-N	321.598	3.536	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc2cc(O)ccc2c1	770333889	YFYXEHXMMJGSOH-JTQLQIEISA-N	323.186	3.733	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cscc2Cl)c1	771843068	XRNVYGIPQULNBT-BJMVGYQFSA-N	318.785	3.956	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(C2CC2)cc1	772568437	QTGMGPOMBBKPLV-UHFFFAOYSA-N	312.329	3.621	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(-c2ccccc2Cl)o1	773585243	FRKOHOZQRKXOHT-UHFFFAOYSA-N	320.801	3.934	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@@H](F)c1ccccc1	775264448	CHAJEVDCEVRQCH-NSHDSACASA-N	314.147	3.542	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	775266442	VFKHCKZXCGLNJS-MYJAWHEDSA-N	316.232	3.904	50	20	DHGD	
Cc1c(COC(=O)/C(C#N)=C\c2ccccc2)cccc1[N+](=O)[O-]	785343138	BMIYADNNPUFCNZ-YBEGLDIGSA-N	322.320	3.554	50	20	DHGD	
CC(C)(C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12)C(F)F	791636428	ZPQNEEAEGFAYLH-UHFFFAOYSA-N	309.268	3.945	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	794881462	CVSMBYPYHWMIPY-OZYJXZHSSA-N	319.788	3.641	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H](C)C(=O)c1ccccc1	799756037	WRJLGVMAQPATEJ-OAHLLOKOSA-N	324.424	3.910	50	20	DHGD	
Cc1c(C(=O)NNC(=O)Nc2ccccc2)oc2c(C)cccc12	801992363	KILDZUYMKGKCBZ-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Cc2cncc3ccccc23)c1	806398706	QLBORCWZCKXBGN-OAHLLOKOSA-N	319.408	3.865	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1cccc(F)c1Cl	806771922	JFJHAWRYVBUNAY-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NN=Cc1ncc(-c2ccccc2)s1)c1ccccc1	811628753	KZDGXPPFTJYEAY-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)cc1Cl	812244469	BQCOHOLUBQNWAV-IZZDOVSWSA-N	315.716	3.716	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1CCC(=O)[C@@H]1C	812765904	ZBKXSYXIQHXSAI-ZIAGYGMSSA-N	302.418	3.567	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn(C(C)C)cn1	812770121	HZEJOAIXHRUXDR-UHFFFAOYSA-N	300.406	3.653	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)Cc1ccco1	813035849	KTZFYHVHMCSWIE-AWEZNQCLSA-N	315.417	3.969	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@H](C)c1ccncc1	836933075	HUVKDXKAWIQRDZ-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
CCOc1nc(C)ccc1C(=O)NNc1c(C)cccc1Cl	836935673	DOBHGWONVTYDCN-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
CSC[C@@H](C)C(=O)NNc1ccccc1Cc1ccccc1	846465044	XLLWDTAUQGEVKU-CQSZACIVSA-N	314.454	3.720	50	20	DHGD	
CC1(C)C[C@]1(C(=O)NNc1cccc(Cl)n1)c1ccccc1	854602952	GNORRDYGTCKYJO-QGZVFWFLSA-N	315.804	3.546	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccc3occc3c2)C[C@@H]1Br	861543975	HOUXRUWTTBDKOJ-GXTWGEPZSA-N	323.190	3.728	50	20	DHGD	
N#C/C(=C\c1csc(C(F)(F)F)c1)C(=O)NC1CCCC1	863180965	DOTUAOABTBPCQA-BJMVGYQFSA-N	314.332	3.733	50	20	DHGD	
N#C/C(=C/c1ccc(F)c2ccccc12)C(=O)[C@H]1CCCOC1	864366459	SFLCHCBBOFVYTH-QTNMRXCUSA-N	309.340	3.882	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2cc(Cl)ccc2C)c1C	885124438	XFTGKESCXSVXAD-UHFFFAOYSA-N	305.809	3.844	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)c(O)c1	917556544	ZNXUBODXUATVML-ZIAGYGMSSA-N	300.402	3.777	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)c1ccccc1)CCO2	920356422	LHMBGFWEDABXHO-UHFFFAOYSA-N	308.381	3.727	50	20	DHGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)C1CCOCC1	1262038805	ZXJATLXRAHAKIS-UHFFFAOYSA-N	322.408	3.539	50	20	DHGD	
CC[C@@H](NC(=O)c1cccc(CCl)c1)[C@@H](O)c1ccccc1	1262638198	QPVXEQCQGUMPJX-SJORKVTESA-N	317.816	3.667	50	20	DHGD	
C[C@@H](NC(=O)C1CCC(Cl)CC1)c1cccc(F)c1F	1519847341	CCBKAGGVVMASII-KPPDAEKUSA-N	301.764	3.940	50	20	DHGD	
O=C(O)c1c[nH]c2cc(NC(=O)C3CCC(Cl)CC3)ccc12	1602238264	NCDGDNSKMNIPFI-UHFFFAOYSA-N	320.776	3.602	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)c1cccc(C(=O)O)c1	1776095349	TXAMNFUAKWOUNQ-UHFFFAOYSA-N	324.380	3.513	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(C(F)(F)F)cc1	66326310	VQFCBIHHIQSORZ-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1coc2ccccc12	113423261	WNPIMULASZZZJX-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1Cl)C(=O)NCc1ccccc1	128680538	YGKRVYSTGYEHLC-ZSOIEALJSA-N	314.747	3.702	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1ccc2c(c1)CCC2	153820659	KCTGXJZIULCZRI-UHFFFAOYSA-N	320.314	3.951	50	20	DHGD	
CC(C)COc1ccc(CC(=O)NNc2cccc(F)c2)cc1	154108171	RERGYTJLOAIPEA-UHFFFAOYSA-N	316.376	3.546	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccncc1Cl	154606044	XZDQUGHCTRJGKL-CQSZACIVSA-N	317.820	3.693	50	20	DHGD	
Cc1cccc(C)c1NCC(=O)NNc1ccccc1Cl	158306907	HCMYUECAEYXDKE-UHFFFAOYSA-N	303.793	3.512	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cccc(F)c1Cl	173143176	ZPQMTSGAGGDZQX-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)c(F)cc1F	178315287	BGEZIHUQIWXZGH-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
C=CCN(Cc1ccccc1)C(=O)/C(C#N)=C/c1ccc(O)cc1	188168131	WIECFABNXIWURR-QGOAFFKASA-N	318.376	3.514	50	20	DHGD	
C=CCC1(C(=O)NNc2ccccc2OC(F)(F)F)CCC1	190516605	FKTFFAIZXQEONC-UHFFFAOYSA-N	314.307	3.775	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	255229290	PWXOMPMHJZKBJX-BEQMOXJMSA-N	320.392	3.951	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)/C=C\c2ccc(Cl)nc2)c1	255588113	MCDBBZAGKYEPIV-VURMDHGXSA-N	301.777	3.508	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C3CC3)cnc2Cl)c1	280042133	QVTRMNLPZIEGEE-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccccc1C(F)(F)F	728428890	LVWAWBMNUBUOSH-UHFFFAOYSA-N	300.324	3.982	50	20	DHGD	
N#C/C(=C\c1occc1Br)C(=O)c1ccc(F)cc1	735305882	ZODCCFXOUDQBRZ-JXMROGBWSA-N	320.117	3.971	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCC[C@H](C3CC3)C2)c1	737421632	VHAWVZKLIXTVDZ-INIZCTEOSA-N	314.429	3.755	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1ccc(Br)cc1F	748187711	NKQYLNBNNSVWLO-VIFPVBQESA-N	317.202	3.858	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCOc2cccc(C)c2C)c1	748401315	SDEKQRKRIPIXCJ-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Cl)cc1O	749280729	FLDWGVXCWWFLNW-UHFFFAOYSA-N	316.788	3.681	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCC2(CCCC2)CC1	752425420	QHUCORCBCFKSKU-SSZFMOIBSA-N	312.388	3.915	50	20	DHGD	
Cc1cccc([C@H](C)CNC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	752452158	QCUUWVLSYYNXCV-JQFNYASXSA-N	322.383	3.961	50	20	DHGD	
CC(C)C[C@@H](C)NC(=O)NNc1ccccc1C(F)(F)F	752689601	UHJBNAKIUYIYFS-SNVBAGLBSA-N	303.328	3.766	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1ccc(-c2ccccc2)nn1	754469923	JLGQMEWEVSXDAC-UHFFFAOYSA-N	324.428	3.947	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)c1ccc(Cl)nc1	756880857	CDVFOZIVTUIKRX-UHFFFAOYSA-N	322.195	3.769	50	20	DHGD	
CCC(=CC(=O)NNC(=S)Nc1c(C)cccc1CC)CC	759487040	HXWTXGIBGXRSBS-UHFFFAOYSA-N	319.474	3.621	50	20	DHGD	
CCC/C(C)=C\C(=O)NNC(=S)Nc1ccccc1C(C)C	762804750	YDWJEEFJWFWUMF-QBFSEMIESA-N	319.474	3.874	50	20	DHGD	
N#C/C(=C/c1cccc2c1OCCCO2)C(=O)C1CCCCC1	767712307	CYOOYHKBMKAALF-VBKFSLOCSA-N	311.381	3.904	50	20	DHGD	
CC1(C)CCCC(=NNC(=O)c2cccc(OC(F)F)c2)C1	767787714	VPMXGMTYZXYIHQ-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cccc2ccsc12	768310940	JPBPVHNPGYFKBZ-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NNc2c(C)cccc2F)c1	771126810	GNQNRAJFANPMDH-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CCC(=O)NN=Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1	771872270	QYNVCBJJAQDONM-UHFFFAOYSA-N	312.213	3.584	50	20	DHGD	
Cc1ccc(-n2nc(NC(=O)NNc3ccccc3)cc2C)cc1	776029471	LTUWHSPVXLEXPJ-UHFFFAOYSA-N	321.384	3.638	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccccc2OC(F)(F)F)C1	779201427	ZAGPUZWPHUKUCR-MNOVXSKESA-N	316.323	3.855	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2ccc(Cl)cc2)cc1	779240262	JAJOIGDCHHCBQY-CYBMUJFWSA-N	302.805	3.970	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(Cc2ccc(F)cc2)CC1	783679914	SWYVBZWIDSVUNO-UHFFFAOYSA-N	320.314	3.570	50	20	DHGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)Cc2ccccc21	785043054	HYGGOYLAEFJFFD-FBJMNJBLSA-N	320.367	3.879	50	20	DHGD	
Cc1oc2ccc(NS(=O)(=O)CCCCCl)cc2c1C	788068855	SKBJXIONEBEIMZ-UHFFFAOYSA-N	315.822	3.810	50	20	DHGD	
COc1cc(NNC(=O)c2cc(F)ccc2C)ccc1Cl	790171675	KHNPAOVROQXLPB-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CSSCCNC(=O)NCc1cccc(C(F)(F)F)c1	790653653	WJBLERKFFWRIMI-UHFFFAOYSA-N	324.393	3.516	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1ccc(F)cc1Cl	790731517	XNUVITJFWZKDPV-QMMMGPOBSA-N	322.858	3.851	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cccnc1F	791311730	JHCHFGKNYKEKKQ-UHFFFAOYSA-N	307.328	3.704	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C[C@@H](c2ccccc2)C(C)C)cc1	794465061	SSKBNNYJJBAZPJ-LJQANCHMSA-N	323.440	3.949	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(C)=C(C)C2)cc1	797761111	DFNSWAJAWULYSE-GZTJUZNOSA-N	310.397	3.561	50	20	DHGD	
CCc1ccsc1C(=O)NNc1ncnc(Cl)c1C(C)C	798142107	MKONLIYONXXJGI-UHFFFAOYSA-N	324.837	3.634	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(c2cccc(F)c2)CC1	799757249	NXKBROQYHIOWBS-UHFFFAOYSA-N	312.388	3.871	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@H]2CCCC[C@@H]21	807033415	OSXVTQUDNVCSNL-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccccc1F)C(C)C	807228561	VYEXSKXNIITDBF-UHFFFAOYSA-N	316.467	3.757	50	20	DHGD	
CC(C)[C@H](Oc1ccc(Cl)cc1)C(=O)NNc1ccccc1	812458062	UDOJRIUKMLJKDV-INIZCTEOSA-N	318.804	3.887	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)CCCc1ccccc1	814834073	YLQQXAOVAADGTR-INIZCTEOSA-N	311.429	3.831	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cnc2c(F)cccc2c1	815852611	BSNCLWLAGXUXLS-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1cccc(Cl)n1	817007940	WOOSJGLISBQLOF-GFCCVEGCSA-N	321.833	3.749	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(Br)cc1	819409606	LPJGZCAZAKCOBA-MFKMUULPSA-N	311.223	3.719	50	20	DHGD	
C[C@@H](c1ccc(Cl)c(Cl)c1)N(C)S(=O)(=O)CCl	830264543	RTEPWEJKOIZERH-ZETCQYMHSA-N	316.637	3.512	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(C(F)(F)F)CCCCC1	830782830	YUYNFVGJCSFKBW-UHFFFAOYSA-N	322.277	3.921	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc(Cl)s2)cc1	839401588	PRKSQDNCUFETBK-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2cc(Cl)nc(Cl)c2)CC1	843911715	MWHXKNOYDVTICP-JTQLQIEISA-N	314.216	3.968	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C(F)F)cc1F	848805356	SOKSCQOSWCNLDT-UHFFFAOYSA-N	323.108	3.871	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cc(Cl)ccc2F)n1	871271191	GONFDTVFHIQYTM-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccccn2)oc2ccccc12	916245314	MBZAJHZXDVMWOL-UHFFFAOYSA-N	307.353	3.544	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1ccc(C)s1	917026116	WRQIXJUUPQDRPJ-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccccc2Cl)o1	1115818762	WGCAPDUKHDBHCY-GWCFXTLKSA-N	302.761	3.820	50	20	DHGD	
Cc1cc([C@@H](C)NC[C@@H](CBr)C2CC2)c(C)o1	1118815277	GOVYWUCIGVWRCD-ZWNOBZJWSA-N	300.240	3.968	50	20	DHGD	
O=C(CCl)N1CCCCC[C@H]1Cc1ccccc1Cl	1327533533	UISXIYHLQJNFOC-ZDUSSCGKSA-N	300.229	3.893	50	20	DHGD	
O=C(CCNc1ccccc1)NNc1cccc2c1CCCC2	1340925287	QTZUBHICRFOLSY-UHFFFAOYSA-N	309.413	3.511	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1cccc(F)c1C(=O)O	1591236337	CXZRDCMUBYXRPO-UHFFFAOYSA-N	310.369	3.574	50	20	DHGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)OC)cc1OCC	82067937	DGVKKZDSBWFJFC-GHXNOFRVSA-N	323.776	3.607	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cc(C)c1O	112224429	MKBLICDWQRQCQY-WJDWOHSUSA-N	306.365	3.579	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc2cccc(F)c2o1	120089419	NDHJSXHAARDRGY-UHFFFAOYSA-N	304.708	3.982	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1cccc(F)c1	122507356	XIIRNYRYUXANEN-SNVBAGLBSA-N	324.302	3.674	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)n1C	124210443	RGBANHGXJUFUPN-UHFFFAOYSA-N	316.163	3.536	50	20	DHGD	
CSc1cc(C(=O)NNc2cc(C)ccc2C)ccc1F	128352102	CGMQJKOPEWMBBB-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc(C(F)(F)F)cn1	132377651	AILGOYXJMKHNRZ-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
Cc1nc2c(s1)[C@H](N(C)C[C@@H](C)CBr)CCC2	133976885	QDWCQLLWOUZWCT-JOYOIKCWSA-N	317.296	3.792	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccc(C#N)cc3)cc2C1	155127286	MYOFYWJNYHOCOA-LLVKDONJSA-N	311.410	3.501	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)CCc2ccccc2F)cc1	158731364	NWLWNGQZYZSBJC-AWEZNQCLSA-N	300.377	3.846	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1cccc(C#N)c1	163714758	GAIVHVWCRKZSFS-UHFFFAOYSA-N	308.385	3.527	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	171483484	RYLOBPLSUDBTEZ-DFDFAMMDSA-N	320.477	3.567	50	20	DHGD	
CS[C@@H]1CCC[C@@H](NC(=O)NNc2ccccc2Cl)C1	172341030	QXBYLZMAXCHXSH-GHMZBOCLSA-N	313.854	3.640	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc(-c3ccccc3)[nH]2)c1	177366579	NIZGTYXYIFCWKS-UHFFFAOYSA-N	309.344	3.886	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2ccc(Cl)cc2)s1	178846528	FEQVUAUVHIOXRL-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OC(F)(F)F)c1	181697965	FVSUXXDOPJWWQA-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=C[C@@H]1CC=CCC1	252627129	RNHTZJWYNHRSRR-OAHLLOKOSA-N	308.381	3.677	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C\C1CCOCC1	493218487	KSCGBATXYMOMCY-FPLPWBNLSA-N	302.418	3.544	50	20	DHGD	
Cc1cc(C)cc(N(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)c1	588515477	LDAKAFMTHLDIAZ-WJDWOHSUSA-N	306.365	3.579	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Br)ccc1OC	726428869	PURSBCBVDMFGEF-BZPKPHBRSA-N	322.202	3.980	50	20	DHGD	
CC[C@@H](C)[C@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	726974255	UQJZFUAAWCOPOP-OLZOCXBDSA-N	317.882	3.571	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cccc(F)c2F)cc1	730727093	KVDZVCVJCBMVDW-UHFFFAOYSA-N	320.364	3.516	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2ccc(O)c(Cl)c2)cc1C	734093890	XSERZIDJGOHJBF-UHFFFAOYSA-N	316.788	3.735	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc3ccccc23)C1	741582440	XWDRBPVOHPPFFO-HUUCEWRRSA-N	324.424	3.817	50	20	DHGD	
COc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)c(C)c1	743299360	NEBMAYWFDHMETI-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
CC(C)CCCCCC(=O)NNC(=O)c1c[nH]c2ccccc12	747905405	AALCQVSWEYCASX-UHFFFAOYSA-N	315.417	3.535	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1CCCc2ccccc21	748301462	GRYGJZTZDJBHBF-CQSZACIVSA-N	300.789	3.903	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cccc2[nH]ncc12	748512688	UBDUKPZRXONIJE-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCCCn1nc(C)c(C=NNC(=O)CC2CCCC2)c1Cl	749449814	MBEGMGGBUUIDFF-UHFFFAOYSA-N	324.856	3.675	50	20	DHGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)c1cc2ccccc2o1	749817213	CWBLPBIYNNENCJ-UHFFFAOYSA-N	317.348	3.986	50	20	DHGD	
CN(CCN(C)c1ccccc1)/C(=C/C#N)c1ccc(F)cc1	750800036	BXHQJCWWVLBYFS-XDHOZWIPSA-N	309.388	3.758	50	20	DHGD	
CC1(C)C[C@@H]1C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	752307823	DDDOGOQTBVIDJH-MRXNPFEDSA-N	323.396	3.552	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1c(C)cccc1C	755628393	TWULAIXYMXBNNM-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(F)c(Cl)c1Cl	761485846	JMZBKLDMDAYQIM-RMKNXTFCSA-N	322.188	3.822	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@H](c2cccc(F)c2)C1	770650143	QSVBJPYATHZXNT-DGCLKSJQSA-N	300.215	3.646	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1cccc(C(=O)OC)c1	780789609	INKWWZOXAHHMMW-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
CCCN(Cc1ccc(F)cc1)C(=O)NCCSSC	790874841	AQKMFNWZFWYUPO-UHFFFAOYSA-N	316.467	3.759	50	20	DHGD	
Cc1ccc2c(c1)CCN(C(=O)[C@H](Br)C(C)(C)C)C2	790988445	QLAOKBVRAPLUAA-AWEZNQCLSA-N	324.262	3.689	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NNc1ncccc1C	791226415	YLDOXVHZHFWGIJ-ZRDIBKRKSA-N	301.777	3.590	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/C=C\c1ccc(F)cc1F	792635424	FWIPNRRDSXKNBX-VLZWCJPISA-N	311.353	3.600	50	20	DHGD	
CC1CCC(OCC(=O)NNc2c(F)cccc2Cl)CC1	793839906	VUJHVFKEDVNPCR-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
Cc1nc(CC(=O)NN=C[C@@H](c2ccccc2)C(C)C)cs1	794469896	AOPCSZVWKKQVMB-MRXNPFEDSA-N	315.442	3.536	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccc(O)c(O)c1	794555321	CJVOCGSFYAIUCV-FPVBTWCSSA-N	302.374	3.506	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1cccc(C(F)(F)F)c1	794564856	DADRZHXUXRGDRZ-UHFFFAOYSA-N	321.302	3.563	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)c(F)c1)NC1CCCCC1	794868005	DBKXTUJAZVEZLZ-QCWRGINGSA-N	307.344	3.596	50	20	DHGD	
C=C(CBr)COC(=O)C[C@@H](C)c1ccccc1C	795513745	BDFJCPUHSINYLY-CYBMUJFWSA-N	311.219	3.983	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-n2cccc2)nc1	799758932	CZDOYXUFLXOARV-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCC[C@@H]1CCCF	800807658	AFYUJDKUKLDWNV-CYBMUJFWSA-N	315.392	3.732	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cc(F)c(F)c(F)c2)s1	810466645	VUKVXSOLYZGANH-UHFFFAOYSA-N	314.332	3.550	50	20	DHGD	
CC(C)(C)C[C@@H](O)CNCc1ccc(OCCCCl)cc1	811479492	ICTYWGMENDPVAF-OAHLLOKOSA-N	313.869	3.581	50	20	DHGD	
CCc1cc(C(=O)NNc2cccc3c2CCCC3)ccc1O	813494228	CQTDLPKBXHJAAA-UHFFFAOYSA-N	310.397	3.590	50	20	DHGD	
CCCC(=NNC(=O)c1cn(C)c2ccccc12)c1cccnc1	814776811	DRJVJJMIFKPOLH-UHFFFAOYSA-N	320.396	3.508	50	20	DHGD	
N#Cc1cccc(C=NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1	839393694	OPSSGLVKXULGTE-UHFFFAOYSA-N	321.424	3.615	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(OC)c(OC)c1)[C@@H]1CC1(C)C	841602822	COMBOXTZBXWSIA-ZDUSSCGKSA-N	318.417	3.636	50	20	DHGD	
CC[C@H](COC(=O)/C(C#N)=C\c1cccc(OC)c1)CC(F)F	845768876	NSEKJOOPWXRITJ-OBTCNRAFSA-N	323.339	3.827	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc3c2OC(C)(C)C3)c1	847600422	NSZLQJCHCBYQGF-UHFFFAOYSA-N	310.397	3.774	50	20	DHGD	
Cc1ccc(NNC(=O)NCc2nc(C(C)C)cs2)cc1F	853868243	YWCIQFRZWWRGSW-UHFFFAOYSA-N	322.409	3.540	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc3c(c2)CCC=C3)C[C@@H]1Br	857391198	MOBASBYELWYZDA-GOEBONIOSA-N	320.230	3.549	50	20	DHGD	
CC1(C)CCC(C)(C)N(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	862588041	XWUSDPAHKHLRPE-PTNGSMBKSA-N	312.413	3.726	50	20	DHGD	
Cc1c[nH]cc1C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912580583	SRFKEPHHORDREX-CYBMUJFWSA-N	308.498	3.559	50	20	DHGD	
CC(C)OCCC(=O)NN(Cc1ccccc1)c1ccccc1	914710313	STQYQXDWXIBWHB-UHFFFAOYSA-N	312.413	3.540	50	20	DHGD	
CCCc1nc(C)c(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)s1	915277786	XIXGXIKYQCGDDQ-UHFFFAOYSA-N	320.370	3.840	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1c[nH]c2ccccc12	916287962	RHURFUVITLFEFW-UHFFFAOYSA-N	321.380	3.612	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C)c(Cl)c2)c(C)c1	1329853955	LTDSNDHDPJXIJQ-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1ccc(C)c(C(=O)O)c1	1605254885	HDEATRVBYHTSJH-ZDUSSCGKSA-N	306.406	3.743	50	20	DHGD	
CC(C)c1nnc(/N=C(O)/C(C#N)=C/c2ccc(O)cc2)s1	39994650	OBPJQPMQMHCTHR-YRNVUSSQSA-N	314.370	3.562	50	20	DHGD	
C[C@@H](Sc1ccccc1Cl)C(=O)NNc1ccccc1	111551234	GKBCEWIKAWDPKT-LLVKDONJSA-N	306.818	3.964	50	20	DHGD	
Cc1cc(NC(=O)NNc2c(Cl)cccc2Cl)ccn1	120473049	HIGDGHFOGUTRGZ-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)s1	129002616	GXAJVQVJNNHFFX-UHFFFAOYSA-N	318.295	3.971	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2ccc(C(F)(F)F)cn2)c1	131794808	NKTVJIQSVJGQEP-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)Nc1cc(F)cc(F)c1	151385953	OTOOVZNECDLOIC-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccccc1F	152919327	AZXLHADREOHQQY-LBPRGKRZSA-N	304.340	3.677	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(c2ccccc2)CCC1	196266792	AIRXWGYMSMGEQX-ZDUSSCGKSA-N	324.262	3.992	50	20	DHGD	
COc1cc(CN(C)/C(=C\C#N)c2ccc(F)cc2)ccc1O	255515686	GPIAPHANORRDKK-SXGWCWSVSA-N	312.344	3.536	50	20	DHGD	
CC(C)[C@H](C(=O)N1CC=C(C#N)CC1)c1cccc(Cl)c1	272487032	ALKYOWVPRLBUIM-INIZCTEOSA-N	302.805	3.762	50	20	DHGD	
Cc1cccc(CN(C)C(=O)/C(C#N)=C\c2ccc(O)cc2)c1C	490942416	ODWIGNNOSYLYTK-WQRHYEAKSA-N	320.392	3.575	50	20	DHGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	588393692	VWSUZDJIYQOOEX-NGWPFTMJSA-N	308.356	3.919	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C/c3ccc(F)nc3)c[nH]c2c1	588524065	WRIURSBUWMMPHN-NTUHNPAUSA-N	305.312	3.800	50	20	DHGD	
CC[C@@H](CNC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	588603706	KMWQREBVHDRICP-IQFISFIMSA-N	320.392	3.609	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(OCc2ccccc2C)cc1	727777055	MXHUZVXCAPWFDJ-UHFFFAOYSA-N	322.408	3.824	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(C)c1	728785750	LUFIHAZTBUKLSU-LFIBNONCSA-N	322.412	3.599	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccnc2C)c1C	728909766	JSJFLOXVUVKXRS-GZTJUZNOSA-N	305.381	3.784	50	20	DHGD	
O=C(NN=Cc1ccc(OC(F)F)c(Cl)c1)c1ccccc1	731486343	UUUSQTZBCMROLB-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C/C1CCCCC1	735437335	NAAMFPDROQSTCS-JXMROGBWSA-N	305.330	3.645	50	20	DHGD	
CCC[C@H](CCc1ccccc1)NC(=O)NNc1ccccn1	743638182	PHVUPCQBPLVWCW-MRXNPFEDSA-N	312.417	3.509	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1F	747590007	XFWRXCLXGXMMIZ-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C[C@H](C)c1cccc(Br)c1	747633860	XXCQUYIZOZUJMQ-MNOVXSKESA-N	311.223	3.701	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1cc(C)cc(C)c1	748362551	ORLXJTXCICEWFD-GOSISDBHSA-N	312.413	3.913	50	20	DHGD	
CC(C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)=C1CCCC1	748630053	RXKDAMSVEJWFFV-UHFFFAOYSA-N	323.318	3.911	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)CCc2ccccc2)c1	749744959	MIRXTEJLAMHJOI-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
Cc1cc(CCCC(=O)NN(C)c2ccccc2)c(C)s1	753331550	WHXBRIMQLPRJEX-UHFFFAOYSA-N	302.443	3.855	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3cccc(Cl)c3o2)cc1	753340592	FYFDXUVTMVSLGH-UHFFFAOYSA-N	316.744	3.852	50	20	DHGD	
CCCCCC=NNC(=O)c1ccc(Br)s1	755573645	YOQHIIUXSRPJDR-UHFFFAOYSA-N	303.225	3.807	50	20	DHGD	
O=C(NN=C[C@H]1CCc2ccccc21)c1cc2ccccc2o1	755756961	BVZPHQUMWHSEJC-OAHLLOKOSA-N	304.349	3.878	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1cc(Cl)ccc1Cl)OCC	756012202	HGOYCUTUTUPJFD-ZDUSSCGKSA-N	317.216	3.808	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)o1	764411918	OTSBPSGLUDNRQO-ZROIWOOFSA-N	310.353	3.589	50	20	DHGD	
CC(C)(C)OCCCOC(=O)[C@H](Br)C(C)(C)C	766746728	RDPZZUYSBRBIBG-JTQLQIEISA-N	309.244	3.544	50	20	DHGD	
CCCCOc1ccccc1C=NNC(=O)c1cccc(C#N)c1	767378810	VLTWKEVETGGTDF-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CSc1ccc(F)cc1	771692583	GBHUVTZCBRLUAP-UHFFFAOYSA-N	308.353	3.509	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cccc(Br)c2)[C@@H]1C	781126389	GICDAFGIBSEWKC-WDEREUQCSA-N	323.234	3.991	50	20	DHGD	
C#CCC1(C(=O)NNc2cccc3c2CCCC3)CCCCC1	788513863	WTSWRYDSAIUMLX-UHFFFAOYSA-N	310.441	3.982	50	20	DHGD	
COc1cc(NNC(=O)c2cc(Cl)cs2)ccc1Cl	790188264	ZAAKEGSXHFDHLN-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CCSC1	790581179	QVSNQLOPLMNAHA-VXGBXAGGSA-N	305.534	3.570	50	20	DHGD	
CCCN(Cc1ccccc1F)C(=O)NCCSSC	790876159	OBLKVHUBZJCUSG-UHFFFAOYSA-N	316.467	3.759	50	20	DHGD	
C=C(CBr)CN(C)Cc1ccc(OC(F)F)cc1	791441414	AUSVUNVNOFAUCK-UHFFFAOYSA-N	320.177	3.671	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(F)c(F)c1F	799757181	XQQCTRLIXRZWPB-UHFFFAOYSA-N	308.303	3.732	50	20	DHGD	
O=C(O)Cc1ccc(C(=O)/C=C\c2cccc(CCl)c2)cc1	799891803	ULENFNYLNMPYAM-TWGQIWQCSA-N	314.768	3.949	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNC(=O)Nc1ccc(Cl)cc1	802014717	VVWNUNFWPFQTEK-RISCZKNCSA-N	323.824	3.709	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	803055289	XZRDIVRVGOWLDM-FPMFFAJLSA-N	307.825	3.785	50	20	DHGD	
Cc1ncc(COC(=O)CCCC[C@H]2CCSS2)cn1	803252897	FJDOZQJULRPWFC-ZDUSSCGKSA-N	312.460	3.542	50	20	DHGD	
Cc1cc(O[C@H](C)C(=O)N(C)CC(Cl)Cl)ccc1Cl	816629594	SOYJISRUNIGPJJ-SECBINFHSA-N	324.635	3.678	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@H](C)c1c(C)n[nH]c1C	836934322	UCKBWBIPHGTPRJ-JTQLQIEISA-N	320.824	3.625	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(Cc1ccc(C)cc1C)CC(C)C	843955882	HXBIIQHPJUOSFQ-AQTBWJFISA-N	314.429	3.732	50	20	DHGD	
CC[C@H]1CC[C@@H](C(=O)NNc2ccccc2Cc2ccccc2)O1	846464275	LNBCHNIHMLWWAC-HKUYNNGSSA-N	324.424	3.678	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2nc3ccccc3n2C)cc1	848378342	NVRYSTXEQRHWCS-UHFFFAOYSA-N	322.412	3.673	50	20	DHGD	
Cc1cc(C)c2c(c1)C/C(=C\c1cnn(CCCl)c1)C2=O	848643505	ZEGOICFGLFSYSS-VIZOYTHASA-N	300.789	3.561	50	20	DHGD	
O=C(NN=Cc1ccc(C2CCC2)cc1)OCC(F)(F)F	853428807	VQRLIGXWMLIAOR-UHFFFAOYSA-N	300.280	3.577	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cc(Cl)ccc1NC(C)C	855235671	LEIRPPDCBMPVQF-PKNBQFBNSA-N	307.781	3.543	50	20	DHGD	
BrC[C@H](CN1CCC[C@H]1c1ccccn1)C1CC1	859160384	IEIKLHPNBOXLMW-HIFRSBDPSA-N	309.251	3.640	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccnc1Br	865221558	YVEKKFPRONPKEN-ZDIKFAODSA-N	307.191	3.756	50	20	DHGD	
CCCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	914527324	ITOMDCXFGWSKHR-ATVHPVEESA-N	301.434	3.680	50	20	DHGD	
NC(=O)NN=Cc1ccc(-c2ccc(Cl)c(Cl)c2)s1	914866605	OCRXLBAIKJPVJH-UHFFFAOYSA-N	314.197	3.724	50	20	DHGD	
COC[C@@H](C)OC(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	917516060	IOOZDRYVAAMTJI-GYZOOYGHSA-N	321.376	3.839	50	20	DHGD	
Cc1cc(C(=O)NN=C/C=C\c2ccco2)c2ccccc2n1	920362732	IEAOFUNTTUOVAI-ACOKDQDXSA-N	305.337	3.565	50	20	DHGD	
Cc1nc(-c2cccc(NC(=O)C3CCC(Cl)CC3)c2)n[nH]1	1123500625	CFHVDPHUBGLWLE-UHFFFAOYSA-N	318.808	3.516	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@H]2C1	1317727912	RUVODJONKIVNFI-AQIFWMOJSA-N	311.385	3.971	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)c2ccc(F)c(F)c2)c1	1319118263	JGTAWSZYDJOKPC-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NCC(Cl)Cl)c(Cl)c2c1	1324969975	NWRVNJKCVKBFTF-UHFFFAOYSA-N	305.592	3.663	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCCC[C@H]1c1ncon1	1358111439	JOCZRSALWYTCPP-AWEZNQCLSA-N	319.792	3.566	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(C)c1	11333172	SXMMSBGKIHQJDL-FOWTUZBSSA-N	300.402	3.607	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(F)ccc1F	44023589	CMIDOEQPGIJPPS-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	113756466	JJRVHEGQZKQCQA-IZZDOVSWSA-N	320.179	3.878	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(Cl)cc1	119922870	LAXUHVFHYYYKQR-UHFFFAOYSA-N	300.789	3.976	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1	132457995	FPIRRVRJDQBUET-BOPFTXTBSA-N	306.365	3.687	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2sc(CC(C)C)nc2C)c1	150817856	LYZAKZWULBRMBZ-UHFFFAOYSA-N	321.421	3.854	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2cccc3cnccc23)cc1	178486982	GPIFXGGEJZRVIF-UHFFFAOYSA-N	319.408	3.964	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)n(C)n1	181126314	BIJMRMLPTGZEQP-UHFFFAOYSA-N	314.433	3.598	50	20	DHGD	
Cc1cccc(-n2c(C)cc(C(=O)NNc3ccccn3)c2C)c1	181225411	AXPYYEIJLNLRKX-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc2ncccc2c1	194597297	RICSPPUWULAROA-UHFFFAOYSA-N	324.359	3.509	50	20	DHGD	
Cc1coc2ccc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)cc12	194875650	GJBFHLIYDXRZPO-ZSOIEALJSA-N	318.332	3.993	50	20	DHGD	
N#C/C(=C/c1cccc([N+](=O)[O-])c1)C(=O)c1c[nH]c2ccccc12	210013314	LERXFZLBURYWSB-JYRVWZFOSA-N	317.304	3.866	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)[C@H](CC)CC2CCCC2)cc1	303537089	ITKBYAHCFKNZBG-MRXNPFEDSA-N	316.445	3.617	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1F	490588561	UODXNMOOCNZZBF-ATTDUZETSA-N	324.355	3.619	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2nc(Cl)cs2)cc1	490781285	AJRHHZSONSKRLY-XFFZJAGNSA-N	317.801	3.905	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1F	588619138	WTRBNZYKTCAPCD-RAXLEYEMSA-N	307.328	3.785	50	20	DHGD	
CCCCC(=NNC(=O)Cc1nc(C)cs1)c1ccccc1	725857447	LTVZLVLUYFAPBM-UHFFFAOYSA-N	315.442	3.705	50	20	DHGD	
C/C(C=NNC(=O)Cn1ccc2ccccc21)=C/c1ccccc1	729638551	RCWVNZQYGLZCLT-QJMCSQRZSA-N	317.392	3.847	50	20	DHGD	
C[C@@H](C(=O)NNc1nc(-c2ccc(Cl)cc2)no1)C(C)(C)C	734436627	YEJUXVIJRSJPRP-VIFPVBQESA-N	322.796	3.515	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)c2cc3ccccc3o2)cc1	749823581	MFQLFLIFFFMESA-UHFFFAOYSA-N	322.364	3.984	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC(OCC2CC2)CC1	750800763	HYEYQFPGXUQPCG-CNHKJKLMSA-N	300.377	3.581	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccc(C#N)c(Cl)c2)c1F	753305934	BSYNNKXPRIHQPW-UHFFFAOYSA-N	321.714	3.555	50	20	DHGD	
O=C(NN=CC1CCOCC1)Nc1ccc(-c2ccccc2)cc1	755744246	MMHJQVVUXIFECR-UHFFFAOYSA-N	323.396	3.888	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1F)c1cc2c(s1)CCC2	759648451	LDHMMVOYZYHMBU-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
CCCc1nc(C(=O)NNc2cc(Cl)ccc2Cl)co1	759971837	ZHNCCXWMXXBXGF-UHFFFAOYSA-N	314.172	3.691	50	20	DHGD	
COc1ccccc1CC(=O)NN=CC1CCC(C)(C)CC1	764683007	PWLVIJMSCDCOSR-UHFFFAOYSA-N	302.418	3.556	50	20	DHGD	
N#C/C(=C/c1cscc1Cl)C(=O)c1ccc2c(c1)OCO2	771836607	CZDONNZOBGUGRI-KMKOMSMNSA-N	317.753	3.920	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	775402492	DDFBHUSSRGCTFQ-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)N1CC=C(C#N)CC1	780687281	PFGNGFYRTOEOAL-NSHDSACASA-N	306.818	3.503	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@H]1CCCC[C@@H]1C	783864472	UXVLIGUNRHAPHL-UONOGXRCSA-N	320.458	3.716	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1ccccc1OC(F)(F)F	784527858	WZPNPYOFAIZNCC-UHFFFAOYSA-N	304.312	3.711	50	20	DHGD	
CSSCCNC(=O)NCc1ccc(-c2ccccc2)o1	790674963	XAUTZUAFKLELPR-UHFFFAOYSA-N	322.455	3.757	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1coc(C2CC2)n1	791728795	PJPWJXIEOIUOAH-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
O=C(NN=CCc1cccc(Cl)c1)c1c[nH]c2ccccc12	794858247	BCOWIBTYQNUJHL-UHFFFAOYSA-N	311.772	3.780	50	20	DHGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)C1CCOCC1	794956872	AXBBDZPBTBMOJV-FLIBITNWSA-N	310.180	3.896	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@@H]1CCCF	800808045	LWLRWMOOZFRHQT-QWHCGFSZSA-N	324.371	3.615	50	20	DHGD	
CSSCCNC(=O)NNc1ccc(C(C)(C)C)cc1	807225503	AEPNMDDRFKTWFQ-UHFFFAOYSA-N	313.492	3.621	50	20	DHGD	
CC(Cc1ccc(O)cc1)=NNC(=O)c1ccc(Cl)cc1F	814862734	SOAOBURWFANQSE-UHFFFAOYSA-N	320.751	3.533	50	20	DHGD	
CO[C@H]1CCC[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1	815817973	RDXRWUZWHZMAKX-UWVGGRQHSA-N	317.216	3.642	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCc1ccc(C2CCCCC2)cc1	817087676	WMDSXHDJZROSLX-JXAWBTAJSA-N	312.413	3.794	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCN(c3ccccc3)C2)cc1	837053388	NWOPGCTUMXZAIT-KRWDZBQOSA-N	323.440	3.780	50	20	DHGD	
COc1cc(F)c(/C=C(/C#N)C(=O)C2CCCCC2)cc1OC	844274470	CFBLUFBGBIVJAI-ZSOIEALJSA-N	317.360	3.899	50	20	DHGD	
COc1cc(OC)c(/C=C(\C#N)C(=O)CC(C)(C)C)cc1F	844275106	QHLLTUFSWJYOKY-WUXMJOGZSA-N	305.349	3.755	50	20	DHGD	
Cc1nccc(CN2CCC[C@H]2CO[Si](C)(C)C(C)(C)C)n1	844351052	YQSAZIGJHWNAMI-INIZCTEOSA-N	321.541	3.771	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H](OC2CCC2)C1	847039533	ZDKRWDLKFMEJOM-DKFVHQPUSA-N	300.377	3.724	50	20	DHGD	
C[C@@H](c1cnccn1)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852525233	WFXAWIXEAIPWMN-UONOGXRCSA-N	307.514	3.634	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(F)c(Cl)c2)CC1	863081326	FYOFGXAMFBPNRO-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
Cc1cccc(OCCCC(=O)NNc2ccccc2Cl)c1	912646644	JYBNUGZXRYTMNO-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)Nc1ccc(F)cc1	1318781305	ZDFXHPAAHUJCTD-WJDWOHSUSA-N	306.340	3.860	50	20	DHGD	
Cc1csc([C@@H](C)NC[C@@H](CBr)C2CC2)n1	1329791919	FZPCNHJGCVCOQS-MWLCHTKSSA-N	303.269	3.523	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@]23CC[C@H](CC2=O)C3(C)C)cc1	1528476356	CJYYMZAIEDGPTR-KUHUBIRLSA-N	314.429	3.649	50	20	DHGD	
CC(=O)Nc1c(C)cc(NC(=O)C2CCC(Cl)CC2)cc1C	1548665598	PSCPCNWMIIFKDQ-UHFFFAOYSA-N	322.836	3.998	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)CC1	1604614427	GWCWVIJHFJAGBM-NSHDSACASA-N	322.792	3.618	50	20	DHGD	
Cc1c(NNC(=O)c2cc3cccc(C)c3o2)cccc1C(=O)O	1607552138	HTPOXSOUABPECB-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
O=S(=O)(Nc1ccccc1)c1ccc(CCCCl)cc1	20191072	PIJBJUBPVMTYGB-UHFFFAOYSA-N	309.818	3.659	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2ccc(N(C)CCC#N)cc2)n1	40461220	RNKBDDBOSDOQKB-GDNBJRDFSA-N	308.410	3.866	50	20	DHGD	
Cc1[nH]c2c(C(=O)NNc3cccnc3Cl)cccc2c1C	85681851	MPYSHJFBWAEIBE-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@@H]2c2c(F)cccc2F)c1	116442144	LSWQCFQBNTWCEX-QWHCGFSZSA-N	302.324	3.520	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)cc1	118525601	CEDXGWASXYOUHA-UHFFFAOYSA-N	312.417	3.654	50	20	DHGD	
Cc1cc(OC(=O)c2cnc(C(C)C)s2)ccc1[N+](=O)[O-]	122551860	ZSARZTCIXCSLMC-UHFFFAOYSA-N	306.343	3.702	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@@H]1CCSS1)C1CCOCC1	136103429	JKSIRNYELXYLHH-TZMCWYRMSA-N	317.520	3.632	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1CCCC[C@H]1C(F)(F)F	152960211	PZMTZIUYOWVWDW-NXEZZACHSA-N	304.287	3.638	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(Oc2ccccc2)o1	153070779	BNLGBEXGRSANQO-UHFFFAOYSA-N	312.300	3.968	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(F)cc1)c1ccc(OC)cc1	155030591	AXIXEWPLWMMAGV-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NNc1ccc(F)c(F)c1F	156901203	SQDNUSCKJIBKSN-UHFFFAOYSA-N	322.330	3.816	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CSc1ccc(F)cc1	160817037	IRLNYKFNRMZQKN-UHFFFAOYSA-N	308.353	3.509	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2cnn(CC)c2)c1C	171805860	ZMSXKDGPILAMGC-CXUHLZMHSA-N	310.401	3.521	50	20	DHGD	
O=C(CC[C@@H]1CCOC1)NN(c1ccccc1)c1ccccc1	176422298	ZUSREEWZKYQASP-MRXNPFEDSA-N	310.397	3.673	50	20	DHGD	
CCOC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	189714708	UUPUIWCGNWTPSQ-LBPRGKRZSA-N	305.509	3.632	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	191756374	DRYXTYNUTJQXHH-SFQUDFHCSA-N	319.426	3.697	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1ccc2ccccc2c1	254304501	GJSHACDPYZLVMK-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2c(F)cccc2Cl)n1	274420488	BXJOTAWQLRCBNA-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2c(F)cccc2Cl)C1	281560401	LBYQYPHDFYHNKT-GHMZBOCLSA-N	314.788	3.518	50	20	DHGD	
CCc1ccc(CN(C)C(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	491086937	VUTJKSCJUQNMLS-LDADJPATSA-N	320.392	3.520	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)[C@H](C)CN1CCCCC1	727254282	SVNIVSUXDHRDJK-CVEARBPZSA-N	307.482	3.571	50	20	DHGD	
COCC(CC(C)C)=NNC(=O)c1ccc(Cl)cc1Cl	730726738	DFRFLKUHFZMBRT-UHFFFAOYSA-N	317.216	3.772	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1cnnc2ccccc12	743410777	PQQVLNPFOOCWDD-ZDUSSCGKSA-N	300.406	3.679	50	20	DHGD	
CC1(CNC(=O)NN(Cc2ccccc2)c2ccccc2)CC1	753026286	UBHRQKGLPYUWPA-UHFFFAOYSA-N	309.413	3.708	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2ccncn2)c(Br)c1	758911578	JTTGCSHGDYXRHK-GHXNOFRVSA-N	300.159	3.612	50	20	DHGD	
N#CCc1ccnc(NC(=O)CCCC[C@@H]2CCSS2)c1	763913410	DOXQOZRLFCTBQF-CYBMUJFWSA-N	321.471	3.800	50	20	DHGD	
CC[C@H]1CCCC[C@H]1OCC(=O)NNc1ccccc1Cl	768312401	ZIZLWRQYBWKKBM-SWLSCSKDSA-N	310.825	3.769	50	20	DHGD	
COc1ccsc1C(C)=NNC(=O)c1cc2ccccc2o1	769790570	MOFCGCIVCGBNGT-UHFFFAOYSA-N	314.366	3.657	50	20	DHGD	
CC(C)Cc1nc(C(=O)OC[C@@H](C)CBr)cs1	770358714	AMXWRRVZYYJBBW-VIFPVBQESA-N	320.252	3.529	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccc(F)cn1	770605591	OPCDHVQVKZYTRR-UHFFFAOYSA-N	320.755	3.728	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccc3c(c2)ncn3C)ccc1[N+](=O)[O-]	774557910	GNBPGYXBKFUYCX-NVNXTCNLSA-N	318.336	3.854	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(OC)nc2)c1C	780147277	KXXYQJLAXAVIGR-MHWRWJLKSA-N	323.396	3.708	50	20	DHGD	
C[C@H]1CN(C(=O)[C@@H](Br)C(C)(C)C)c2ccccc21	781074993	LWWQMRYDCDZRJH-GXFFZTMASA-N	310.235	3.946	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cccnc1-c1csc(C)c1	782194219	JIMWNQSKRXNYCQ-UKTHLTGXSA-N	313.382	3.501	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	788193104	NLJVDUZWLKFTPF-WFASDCNBSA-N	306.381	3.516	50	20	DHGD	
CSSCCNC(=O)N1CC=C(c2cccc(C)c2)CC1	790880010	GCIZMVZWJBUNAQ-UHFFFAOYSA-N	322.499	3.805	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNC(=O)Nc1ccccc1C	798312036	POYWSEOFPZRDAX-OAHLLOKOSA-N	317.433	3.754	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C[C@H]2CC[C@H](C)C2)cc1OC	800808385	RSHPZQZNDDZWNP-KBPBESRZSA-N	318.417	3.636	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(C(=O)OCC)c(C)c2)CCC1	812720181	YDHUGZBAFHFYBQ-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CC2CCC1CC2	815970604	DQJOGWMQFKJCOU-XUJLQICISA-N	309.413	3.813	50	20	DHGD	
Cn1c(NNC(=O)CCCC2CCCCC2)nc2ccccc21	816577438	LXERXWPZZIXTPW-UHFFFAOYSA-N	314.433	3.767	50	20	DHGD	
Cc1ccc(NNC(=O)c2cn(C(C)(C)C)nc2C)c(Cl)c1	836937844	ONMFFPPWVYPJBH-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
Cc1csc([C@H](C)NC(=O)NNc2ccc(C(C)C)cc2)n1	838227337	CGDUZUPGBYGHLZ-LBPRGKRZSA-N	318.446	3.962	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C\c1ccccc1C(C)C	846759024	UKNRULOZQDEOBY-ATVHPVEESA-N	314.429	3.648	50	20	DHGD	
O=C(NN=C1C[C@H]2CCCc3cccc1c32)OCC(F)(F)F	853429262	GUBSYVIEFYFVCO-SNVBAGLBSA-N	312.291	3.503	50	20	DHGD	
N#CC[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	855260237	UGADDZWDWSCKTI-KGLIPLIRSA-N	312.504	3.853	50	20	DHGD	
CCc1ccccc1NC(=O)NC[C@@]1(C)C[C@@H]1Br	856812679	ULXNZUNIUNTTSZ-GXTWGEPZSA-N	311.223	3.544	50	20	DHGD	
Cc1cnc([C@H](C)NC[C@H](CBr)C2CC2)s1	859249669	ITWMXWNKXHQBIE-ONGXEEELSA-N	303.269	3.523	50	20	DHGD	
CC(C)c1ccc(/C=C\CC(=O)NN[C@H](C)C(F)(F)F)cc1	862315954	IBNQPVMCTMLXFI-QMAVJUDZSA-N	314.351	3.785	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2cc(Cl)ccc2C)o1	885127710	WPGPMLXZSZNHIN-UHFFFAOYSA-N	307.781	3.654	50	20	DHGD	
CC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccc[nH]1	916285261	BROUOJFNAXVSBS-UHFFFAOYSA-N	313.401	3.594	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)NCc1cc(C(C)C)no1	918767545	KBWNTTKCUBADFF-UHFFFAOYSA-N	322.796	3.586	50	20	DHGD	
COC(=O)/C(C#N)=C\c1ccc(Oc2cc(F)cc(F)c2)cc1	921261387	MYSYBPLTDBHVHT-SDQBBNPISA-N	315.275	3.837	50	20	DHGD	
CC(C)(C)[C@H](Br)c1nnc(Cc2ccncc2)o1	1261432478	QHWDQAOSDDPGIB-LLVKDONJSA-N	310.195	3.538	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1c(F)cccc1F	1317704799	ZUCCRIMULOYJTQ-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
O=C(NC[C@@H]1CCOC2(CCC2)C1)c1cccc(CCl)c1	1358268257	WOMZBMCBJOQUEP-CQSZACIVSA-N	307.821	3.505	50	20	DHGD	
N#CCOc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1	11334010	VTDIMBPMMBPSMO-SDNWHVSQSA-N	306.296	3.518	50	20	DHGD	
N#CC(C#N)=CNc1ccccc1C(=O)Nc1ccc(Cl)cc1	15240669	VYOVVONJGYHYAN-UHFFFAOYSA-N	322.755	3.935	50	20	DHGD	
C=CCCC(=O)NNc1ccc(Br)cc1Cl	73110625	RMPGAJQAAYSQIY-UHFFFAOYSA-N	303.587	3.512	50	20	DHGD	
Cc1ccc(C)c(OCCCCC(=O)NNc2ccccc2)c1	111551148	NDOVVMKJEIFYSA-UHFFFAOYSA-N	312.413	3.996	50	20	DHGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1ccnc2ccccc12	112115474	JJHIMPIKUFWUOJ-AWEZNQCLSA-N	305.381	3.557	50	20	DHGD	
CO[C@@](C)(C(=O)NNc1cccc2c1CCCC2)c1ccccc1	120045510	UZEKTTSTIPWNEO-HXUWFJFHSA-N	324.424	3.570	50	20	DHGD	
COCc1ccc([C@H]2CCCN2C[C@H](C)CBr)o1	152835211	BRYFWMYVPKSPRB-DGCLKSJQSA-N	316.239	3.594	50	20	DHGD	
Cc1ccc2cccc(NC(=O)NNc3ccc(C#N)cc3)c2n1	159777320	PVBFNQSBGIQIMK-UHFFFAOYSA-N	317.352	3.564	50	20	DHGD	
CCc1nc(NC(=O)NNc2c(C)cccc2F)sc1C	184441585	JEGJAFXJVUFCCZ-UHFFFAOYSA-N	308.382	3.610	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@H]1C[C@@H]1c1cccc(Cl)c1	194875090	WNYMABSNTNDIPE-CABCVRRESA-N	304.752	3.726	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccc(Br)cc1	248497889	MHRCDSMGIJHCIC-SDDRHHMPSA-N	323.234	3.719	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2c(C)cccc2CC)CCO1	281694181	GIHRSFRXUSJROM-HZPDHXFCSA-N	304.434	3.596	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@H]1CCCCC1(F)F	296020173	LCJHZYVJRXHNPU-KADHNRKRSA-N	322.330	3.674	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)NC2CCCCC2)s1	490725709	JOMMKZVMZDNXAQ-XYOKQWHBSA-N	303.431	3.622	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1Cl)C(=O)c1ccsc1	588559905	VFMSGYIZPSWPRX-WDZFZDKYSA-N	317.753	3.890	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3cnn(C(C)C)c3)n2)cc1	732714516	URODXVCEMNFFBE-LZYBPNLTSA-N	319.368	3.887	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(F)cc1	734093805	SYINEQOPMVTFFQ-UHFFFAOYSA-N	320.751	3.729	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)c1cccc(F)c1	747362107	NBGLRXDCSWLPAJ-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CC[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1C)c1ccccc1	748673399	JZNJQKSKRZEJFQ-CQSZACIVSA-N	313.357	3.540	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cccc2cnccc12	748764190	YIRQTMLECNVCQM-UHFFFAOYSA-N	323.400	3.549	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)[nH]1	760236228	UGERVEZGEIVONW-SNVBAGLBSA-N	315.442	3.582	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1ccc(Cl)cc1)CC2	762899575	UMSXTXBYBZQPIM-OAHLLOKOSA-N	316.788	3.522	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C(C)C3CCCC3)n[nH]2)cc1	764786171	CVPRTKGRCYAXQY-UHFFFAOYSA-N	324.428	3.935	50	20	DHGD	
CCC(C)(CC)C(=O)NNC(=S)Nc1ccccc1C(C)C	768705921	CDSKYVPOICZZLD-UHFFFAOYSA-N	321.490	3.954	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H]2CCC(C)(C)C2)cc1	769153765	LZFCNJFDYNDZAZ-SFKKXYGYSA-N	312.413	3.687	50	20	DHGD	
CC[C@]1(C)COCCN1C(=O)CCCC[C@H]1CCSS1	771375654	SBMAVOMPJOWHTN-DZGCQCFKSA-N	317.520	3.728	50	20	DHGD	
CC(C)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	781795821	XNAILVIDWSLZOQ-CCAPLTMGSA-N	300.377	3.627	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(Cl)cc2c1OCC2	782887648	ORZGFJJEKVGPKW-QPEQYQDCSA-N	305.761	3.525	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc(C(C)C)cc1	788192775	KAKKWFFTPNWKCU-UHFFFAOYSA-N	302.349	3.715	50	20	DHGD	
CSSCCNC(=O)/C=C(\C)c1ccccc1Cl	791096408	BTHQTPICCVEVFA-MDZDMXLPSA-N	301.864	3.871	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(Cl)c[nH]1	791729662	YDMNPCFKWSDPRS-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1Cc2ccccc21	799554967	MMGLICZCBFYDTR-INIZCTEOSA-N	309.413	3.523	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C=O)c(C)cc1C	799758211	BKWFTKJMNFPNBY-UHFFFAOYSA-N	310.397	3.744	50	20	DHGD	
CC[C@H](C)Oc1cccc(NC(=O)NNc2ncccc2F)c1	806229980	BLUAGGFXMYFENA-NSHDSACASA-N	318.352	3.547	50	20	DHGD	
COCC1(CNCc2ccc(OCCCCl)cc2)CCC1	811500507	FUGDUJJXVFPFIE-UHFFFAOYSA-N	311.853	3.601	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC(C)(C)CCCO	813122222	HZAUVNLSJYJXJB-UHFFFAOYSA-N	321.465	3.543	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(Cl)o1	814807673	GIKAEBFTCWVQPR-UHFFFAOYSA-N	312.756	3.779	50	20	DHGD	
CC(C)(CC(=O)NNc1cccc(C(F)(F)F)c1)C1CC1	815850731	ZZNXWVXQLWWERE-UHFFFAOYSA-N	300.324	3.975	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)/C=C(/C)c1cccc(F)c1	816337348	PWHCGCDEPHIOMO-FLIBITNWSA-N	318.323	3.520	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNc1ncncc1F	817081057	ONOPTTLHLAMCCC-MRXNPFEDSA-N	310.417	3.836	50	20	DHGD	
CN(NC(=O)c1ccc(-c2ccc(C(F)(F)F)cc2)o1)C1CC1	819653619	UDJOTOVXBKHHQA-UHFFFAOYSA-N	324.302	3.704	50	20	DHGD	
C[C@H]1C[C@H](NCc2ccc(OCCCCl)cc2)c2nccn21	825016311	AQBJZVJXBUVTSF-BBRMVZONSA-N	319.836	3.686	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC[C@H]1C	832969344	WTELFZXQQWEYGW-OUAUKWLOSA-N	315.339	3.616	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc(C(C)C)oc2C)c(Cl)c1	836935958	XCFREBSBYILIJX-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H](C)C1CCC1	837488628	LGFPLQRKFNUCOD-JTQLQIEISA-N	311.223	3.637	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCCC1(O)CCC1	840138652	SELRYEUEAOFGMP-GFCCVEGCSA-N	304.477	3.549	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccnn2CC(C)C)c(C)c1	843263903	LGZJNJJKZTYRBD-YBEGLDIGSA-N	322.412	3.702	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccnn2CC2CC2)cc1C	849179938	UETPNDLAEJFATN-YVLHZVERSA-N	305.381	3.700	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Cl)nc(C3CC3)c2)cc1F	856233629	VGXLRLXLOXPOKK-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
C[C@]1(CNC(=O)c2sccc2C2CC2)C[C@@H]1Br	857399064	BFAZFFFFARXWFQ-GXFFZTMASA-N	314.248	3.529	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1ccc(F)cc1F	859451556	AOSZMJBZKZAZGK-VIFPVBQESA-N	319.145	3.543	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1conc1C(C)C	861791857	JIJUIPYBGGYBJU-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2cccc(F)c2Cl)c1C	862510226	YAIJFEKWKKIGRX-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)ccc2C)c(C2CC2)n1	885128544	UKIVGLPKRUECCZ-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(F)cc2Cl)no1	885135341	BBSHPFQNNWTXSM-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1cc2ccccc2o1	915922154	ZNMWGSSPGUTMCB-UHFFFAOYSA-N	321.380	3.694	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cccc2cccnc12	915971395	SEWODMWETSWDOP-UHFFFAOYSA-N	304.353	3.699	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc(Cl)c2)c(C)n1C1CC1	916278264	LBXSMRRIGIEUFG-UHFFFAOYSA-N	315.804	3.857	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)Oc1ccccc1F)c1ccccc1	916336099	VHECSVXGCIBKOJ-ZDUSSCGKSA-N	314.360	3.524	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	928336926	DUYWMSCYVMZDRC-YPMHNXCESA-N	322.836	3.733	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2ccc(Cl)c(C)c2)s1	928340855	GJQREOYFYUPWQJ-UHFFFAOYSA-N	309.822	3.733	50	20	DHGD	
Cc1ccc(C#N)cc1C(=O)NNc1cccc2c1CCCC2	935023323	UJFHOTHXYVVPTL-UHFFFAOYSA-N	305.381	3.502	50	20	DHGD	
O=C(NNc1ccccc1Cl)C12CC3CC(CC(C3)C1)C2	40430465	MRUZONZFWMDWAL-UHFFFAOYSA-N	304.821	4.000	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)N(CC(F)(F)F)C2CC2)c1	112224865	RVINMBPHOXPHLL-ZSOIEALJSA-N	322.330	3.764	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c(C)c1	125148162	ZSOCEFHLIRIKAT-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CCCCCCC(=O)NNC(=O)Cc1ccc2ccccc2c1	127686627	RNDOFRJCMVSVQY-UHFFFAOYSA-N	312.413	3.500	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cccnc2Cl)cc1	128548914	IUSOLUKUFPGICC-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
C[C@H](CCC(=O)NNc1cccc([N+](=O)[O-])c1)c1ccccc1	162959232	OSTHWSTVVDJCLF-CYBMUJFWSA-N	313.357	3.622	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)c3nc4ccccc4n3C)ccc21	178888032	WHABSCUQNCFVAA-FOWTUZBSSA-N	314.392	3.630	50	20	DHGD	
O=C(NNc1ccccn1)c1ccccc1Nc1ccccc1	181217684	NKAUEQXGQHJOLO-UHFFFAOYSA-N	304.353	3.582	50	20	DHGD	
C[C@@H]1CSCCN(C(=O)CCCC[C@@H]2CCSS2)C1	191320585	QIUXYCMOASQCOO-QWHCGFSZSA-N	319.561	3.912	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	193343707	NSJVBRWTYBFFTQ-VZUCSPMQSA-N	309.300	3.702	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	202927761	IRYSONACDQXTSV-DTQAZKPQSA-N	300.402	3.783	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	266505954	GCNYUOJYYUYXKC-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
Cc1ccc(NNC(=O)C2CCC(C(F)(F)F)CC2)cc1	277825742	RFVCGZOVSURJHZ-UHFFFAOYSA-N	300.324	3.807	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1cc(F)c(F)c(F)c1	293342704	KGIKXYHKFXYRFG-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(C(F)(F)F)c1)C1CCCC1	727256313	XKWSFLNFODBJPZ-UHFFFAOYSA-N	318.726	3.999	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cnnc2ccccc12	734092366	LPFRDUVWSSIYCB-CQSZACIVSA-N	312.417	3.679	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc4c3OCCO4)[nH]c12	735620333	XJASGGYRQKJLCS-UVTDQMKNSA-N	317.348	3.707	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNc1ccc(Cl)nn1	735688837	ZJPZQDFPTSEATR-CYBMUJFWSA-N	324.856	3.816	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1cccc(C(F)(F)F)n1	740141830	QWCZQWUEYLQGSL-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)nc3ccccc23)cc1	748100970	PMBCPKUOGYNARH-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CC(C)=C[C@H]1[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1(C)C	748650596	OPMJGNBMDDCXDE-UONOGXRCSA-N	324.371	3.970	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701759	ZZLDDFLROPDZPB-LUAWRHEFSA-N	316.323	3.817	50	20	DHGD	
Cc1ccc2c(c1)N(C(=O)/C(C#N)=C\c1ccc(F)cc1)CC2	751739211	IAZFUUJMTKPQGX-WJDWOHSUSA-N	306.340	3.630	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ccc(Cl)nc2)c(C)s1	753341357	JLVQKLOPGWMMLU-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
C=CCCC(C)=NNC(=O)COc1cccc(C(F)(F)F)c1	758072881	HUNQQZKNPQJTHJ-UHFFFAOYSA-N	314.307	3.543	50	20	DHGD	
CCC(=CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1)CC	759213164	VRLFYMVMPBEWDG-UHFFFAOYSA-N	320.780	3.580	50	20	DHGD	
O=C(C=C1CCCC1)NNc1ccc(OC(F)(F)F)cc1	762843102	DKJVNPNMIYRJBC-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC(Cc2cccnc2)CC1	771462637	KKBZCPLXYNVPTR-ZBKNUEDVSA-N	303.409	3.901	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H](C)c1cccc(Cl)c1	772876166	HKFKUJRDAUEWJR-NSHDSACASA-N	318.808	3.500	50	20	DHGD	
CCCc1cccc(C=NNC(=O)c2cccc3ncccc23)c1	774386079	YMIJQEVHLMZJKW-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1)C(=O)c1ccc(OC(F)F)cc1	776256639	FLLMHAXDLVGIKR-JYRVWZFOSA-N	315.275	3.783	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1cc(F)ccc1C	777882486	XXTBMUILJDWYIJ-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCC2(C3CC3)CC2)cc1	780844664	ONVJRBIAUAQADE-UHFFFAOYSA-N	301.434	3.800	50	20	DHGD	
CC1(C(=O)NNc2ccccc2OC(F)(F)F)CCCCC1	781040064	GSKPLZGDSMRLGM-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
CCOc1ccccc1NC(=O)[C@H](Br)C(C)(C)C	781071185	SWEBPPJPNJAGHQ-LBPRGKRZSA-N	314.223	3.833	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC2(CCCC2)CC1	781090505	LIEZEJSIBGFCMC-LBPRGKRZSA-N	316.283	3.979	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(Cl)c(OC)c1)c1ccccc1	790179623	YMVMBDWBALQPDK-AWEZNQCLSA-N	318.804	3.986	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	791213346	ZWYDTUGSYHIWOQ-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNC(=S)Nc1cccc(C)c1C	794916286	NCYJAYPEGNSJFA-QGZVFWFLSA-N	321.490	3.837	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)C(C)(C)C)c1	794927575	TZPABJNYYWRYHY-WQLSENKSSA-N	305.761	3.649	50	20	DHGD	
CCCN(N=Cc1cnc2cccc(C)n12)C(=O)OC(C)(C)C	794997424	ZLRUBAHQZDIPDE-UHFFFAOYSA-N	316.405	3.624	50	20	DHGD	
CSc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)s1	798232590	XVFIEUMZAKWJMD-PKNBQFBNSA-N	306.456	3.826	50	20	DHGD	
C[C@@H](CC(=O)NNc1nccnc1C1CCC1)C1CCCCC1	805463934	OHCAOFPHUGIKQF-ZDUSSCGKSA-N	316.449	3.794	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCCc1cncs1	811128578	WQXMWFLEGPWWBU-LLVKDONJSA-N	317.501	3.943	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1CCCO)c1ccc2ccccc2c1	814810169	ATKAUKYPYRBYGM-MRXNPFEDSA-N	324.424	3.888	50	20	DHGD	
CCCCNc1ccccc1C(=O)N(C)CC(Cl)Cl	816628376	SPAURHYMBOICQJ-UHFFFAOYSA-N	303.233	3.774	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Cl)n2)c(F)c1Cl	817011866	MUQVFGJDCVCCPU-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cn1c(Cl)cnc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	834441232	CYMVAZHDRCUCGB-WEVVVXLNSA-N	306.822	3.892	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1noc2c1CCCCC2	836937096	VBBRESVEYOZBDR-UHFFFAOYSA-N	319.792	3.662	50	20	DHGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(C)C)cc2)c1Cl	837054962	ZTMLDDYEVYIIBG-UHFFFAOYSA-N	320.824	3.745	50	20	DHGD	
CC[C@@H]1C[C@H](C(=O)NNc2cccc(Cl)c2Cl)CCO1	838348590	YVFVEECEHRCDKR-NXEZZACHSA-N	317.216	3.642	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)n2cnc3ccccc32)c1C	840722752	OAKBUHPTFBWDTG-XNTDXEJSSA-N	305.385	3.781	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(CCn2cccn2)CC1	844344752	HLROJTIAUKITQN-UHFFFAOYSA-N	323.557	3.617	50	20	DHGD	
CO[C@H](C)CCC(=O)NNc1ccccc1Oc1ccccc1	846460858	GPEXZXLUHFPLHX-CQSZACIVSA-N	314.385	3.737	50	20	DHGD	
CC(C)c1ccccc1C=NNC(=O)CCOc1ccccc1	848404295	OBHAZVQDTALUPK-UHFFFAOYSA-N	310.397	3.729	50	20	DHGD	
N#C/C(=C/c1cc2ccncc2s1)c1nnc2n1CCCCC2	849177693	PZWLJAHEEXKDSH-LCYFTJDESA-N	321.409	3.678	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)c(F)c1F)C1CCCCC1	853003085	CRPWDICOAQOCEU-FMIVXFBMSA-N	322.330	3.802	50	20	DHGD	
C[C@@H](C(=O)NCCCSC#N)c1ccccc1C(F)(F)F	854361349	BSVLIHBKPFRUOD-SNVBAGLBSA-N	316.348	3.529	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)cc1Br)C1CC1	856232094	FEOQTIVKFRGYHY-SSDOTTSWSA-N	317.614	3.592	50	20	DHGD	
CC(C)(C)c1ncc(CNC[C@@]2(C)C[C@@H]2Br)s1	856807193	LVSRBVOBSIVURU-GXFFZTMASA-N	317.296	3.704	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnn(CC3CCC3)c2)c1	899339874	WLEOLOYDTKIOFP-RQZCQDPDSA-N	320.396	3.537	50	20	DHGD	
CCC(F)(F)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912578651	CFQBADQHGUSTST-LLVKDONJSA-N	307.457	3.654	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)COc1ccc(Cl)cc1Cl	916254547	HVHITQMVJROPCY-VIFPVBQESA-N	317.216	3.910	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)Cc1csc(C)n1	916317761	WNSVFSYUXFWFSZ-LZSYLOPRSA-N	305.447	3.789	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1Cc1nncs1	930829145	PTMSXCZXPVLOOT-LBPRGKRZSA-N	313.543	3.524	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCn2c(cc3ccccc32)C1	1298518924	NEYBJGODPVZBSG-UHFFFAOYSA-N	316.832	3.781	50	20	DHGD	
O=C(CCl)Nc1cccc(NC(=O)Nc2ccccc2)c1	1319785019	SSQURMWVCAJTJH-UHFFFAOYSA-N	303.749	3.508	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)c2ccc(F)cc2F)c1	1320011626	FKUTWFKGMFNSDK-LBPRGKRZSA-N	304.340	3.828	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)c2ccc(F)c(F)c2)c1	1334937105	RQYDYGZEZHHACA-GFCCVEGCSA-N	304.340	3.828	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(\C#N)C(=O)NC1CCCCC1	5720627	LVYFFVXABMLZKQ-UKTHLTGXSA-N	318.804	3.704	50	20	DHGD	
O=C(Nc1ccccn1)NN(Cc1ccccc1)c1ccccc1	48349121	DRRBJCYJJPMSFV-UHFFFAOYSA-N	318.380	3.825	50	20	DHGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3cnccn3)o2)c1	128155226	QGRKYUHVBNQIEH-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc2c(c1)CCC2	132446212	YWDCGTQVWOUSGN-UHFFFAOYSA-N	322.195	3.634	50	20	DHGD	
CC(C)[C@@H](CC(=O)NNc1cccc(C#N)c1)c1ccccc1	152345619	XSBRPZZHIKCPEW-GOSISDBHSA-N	307.397	3.831	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cnc2ccccc2n1)c1ccccc1	163637759	JCWMMIKHNVHIIM-AWEZNQCLSA-N	320.396	3.657	50	20	DHGD	
N#C/C(=C\c1cccc(OC(F)(F)F)c1)C(=O)NC1CCCC1	171045644	WAZSGPRTCLMTMA-XYOKQWHBSA-N	324.302	3.551	50	20	DHGD	
O=C(NNc1cccnn1)c1cc(-c2ccccc2)ccc1Cl	172370636	UKGKFTNFELYKGM-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1ncoc1C	175633934	ZTYOMXHYYCZJMN-UHFFFAOYSA-N	315.398	3.933	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2)cc1	178862211	QZRIVIPLMCEULR-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
CC(C)CCC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	188130844	LLFAMPAONBIRCK-VQCBNXJZSA-N	300.402	3.630	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(N(C)C)cc2)c1	212137547	AAGNZDHIAAWXLN-WJDWOHSUSA-N	306.365	3.551	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc2c(c1)C[C@H](C)O2	214201800	NKAHIHLIVCTDQP-MPMPPSQCSA-N	318.376	3.864	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1ccc(C)cc1	257352901	OBWIHAGLGUDMJD-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
N#CC1=CCN(Cc2cc(Cl)ccc2Br)CC1	272768334	MKTPVUZVSBVXGK-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
CSSCCNC(=O)c1c(C)nc2ccccc2c1C	285656844	JNDLGRKBCXVHTD-UHFFFAOYSA-N	306.456	3.593	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H]2C[C@H](C)CC(C)(C)C2)c1	294047337	XZFXFKIWOINFRF-GXTWGEPZSA-N	317.433	3.551	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cc2ccccc2[nH]1	491163012	VBRDFXVYAWYFNG-DHDCSXOGSA-N	319.339	3.530	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H](c1cccs1)C1CC1	491173813	FRQUUDRRNHRYLE-OOXMNIKJSA-N	324.405	3.628	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1nc2c(s1)CCCCC2	726873553	QPHBVLMDCXAJDM-UHFFFAOYSA-N	320.393	3.700	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)c2cccc(C#N)c2)cc1	728784645	ISDVNVNDUDVOHW-UHFFFAOYSA-N	305.381	3.620	50	20	DHGD	
CC[C@H](C(=O)NN=CC1=Cc2ccccc2OC1)c1ccccc1	731930807	MXYRISZOKVFLOZ-SFHVURJKSA-N	320.392	3.758	50	20	DHGD	
Cc1cc2c(o1)CC(C)(C)C[C@@H]2NC(=O)NNc1ccccc1	734270740	YVBMBZHCTPLBHC-HNNXBMFYSA-N	313.401	3.928	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1cc(F)c(F)cc1F	734551888	FRMBDKZLGWPSCI-LBPRGKRZSA-N	322.330	3.816	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1cnc2ccsc2c1	739410239	QXAZXMPEZNOCAM-UHFFFAOYSA-N	301.415	3.717	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2cccc(C)c2C)c1	748354326	SIFUHWXWOYZZIG-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
CN(CCc1cccs1)/C(=C\C#N)c1cccc([N+](=O)[O-])c1	750057666	XAUAZTAXYCUJMQ-APSNUPSMSA-N	313.382	3.695	50	20	DHGD	
CCOC(=O)/C(C#N)=C/NCc1ccc(Oc2ccccc2)cc1	751262700	RUVSFGVHGOQFOO-JQIJEIRASA-N	322.364	3.539	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1	752142726	KRIFLVCFNVESPD-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2cc(Cl)ccc2Cl)O1	752806896	DZXLLNFQLDYAJD-ONGXEEELSA-N	317.216	3.784	50	20	DHGD	
CC(CC1CCC1)=NNC(=O)c1ccc(Br)s1	758371952	MXEMIYAWINPDCR-UHFFFAOYSA-N	315.236	3.807	50	20	DHGD	
O=C(NN=c1cc[nH]c2ccccc12)c1ccc2sccc2c1	761563051	DCOSBHNVODSNIA-UHFFFAOYSA-N	319.389	3.628	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc3c(c2)ncn3C)cc1	764919792	HEZQANZKGSQBIS-CXUHLZMHSA-N	301.349	3.672	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(OC(F)F)c2)C[C@@H]1C	767376785	DYJWLSIHTLZQSA-QWRGUYRKSA-N	310.344	3.830	50	20	DHGD	
CC[C@H](C)[C@@H](NC(=O)NNc1ccccc1Cl)C(F)(F)F	772530750	IQTVEWLSCTYELW-GZMMTYOYSA-N	323.746	3.943	50	20	DHGD	
CCc1nc(NC(=O)NNc2cccc(Cl)c2)sc1C	775649305	DVBSKZYUCIXQSP-UHFFFAOYSA-N	310.810	3.816	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc(Cl)cc2c1OCC2	782886281	CYELKPVHAFJMTA-AWNIVKPZSA-N	313.740	3.966	50	20	DHGD	
C[C@H](OC(=O)[C@@H](Br)C(C)(C)C)c1ccc(C#N)cc1	784733845	SQPYWBMFVLWWAQ-GXFFZTMASA-N	324.218	3.972	50	20	DHGD	
CC(C)(C)OCCCCOC(=O)/C(C#N)=C/c1ccccc1	785377855	HRVHVBQGGDVJDJ-DTQAZKPQSA-N	301.386	3.732	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccc(Br)cc1C	785612816	XMRFWGZVVGGUGC-CQSZACIVSA-N	311.223	3.803	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1ccc(Cl)c2cccnc12	786668713	IAXNUMOWPRGGJU-JYRVWZFOSA-N	312.756	3.791	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2ccnn2-c2ccc(F)cc2)n1	794871859	FMHNPLVXWWVFOX-WQLSENKSSA-N	310.357	3.841	50	20	DHGD	
C/C=C(/CC)C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802036818	GNRSZTGJCZHANQ-BNNQUZSASA-N	323.396	3.863	50	20	DHGD	
C=C(CBr)CN1Cc2ccccc2OC(C)(C)C1	808791023	FCWXNIKXRKFVAW-UHFFFAOYSA-N	310.235	3.611	50	20	DHGD	
COc1cccc(NNC(=O)c2ccc(C3CCCC3)cc2)n1	810972019	KFQSZLMJVNTDRH-UHFFFAOYSA-N	311.385	3.505	50	20	DHGD	
CC(=NNC(=O)CC1CC1)c1csc(-c2ccccc2F)n1	814987263	MJPRCNXCLUUILY-UHFFFAOYSA-N	317.389	3.590	50	20	DHGD	
Cc1c(C(=O)NNc2c(F)cccc2Cl)ccn1C(C)C	816163571	VTNMNGHJCXYFFJ-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	817007210	QXNAYRGHTUYODA-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccc(C#N)cc2C(F)(F)F)CC=CCC1	831777976	HMTAVIKJTPAMOM-OAHLLOKOSA-N	323.318	3.767	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cccc(OC(F)(F)F)c1	834448230	XYCICZJGBLJYED-UXBLZVDNSA-N	301.239	3.809	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)CCCC1CCOCC1	836936350	KJPLOYGZJPHXAU-UHFFFAOYSA-N	310.825	3.688	50	20	DHGD	
CC(C)(C)OCc1ccccc1C(=O)NCC(Cl)Cl	837645927	HUPQMOQIZPPCGC-UHFFFAOYSA-N	304.217	3.535	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(F)ccc1Br)C(C)(C)C	839882177	WTSXYKWQEFFVQY-QMMMGPOBSA-N	317.202	3.714	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(C)n2)cc1	840714932	KJOLSBMWGRQOAK-KWWJGWKXSA-N	322.412	3.788	50	20	DHGD	
N#CSCCCNC(=O)c1c(Cl)cc(Cl)cc1Cl	854360124	SPANOLKKSAUQBQ-UHFFFAOYSA-N	323.632	3.981	50	20	DHGD	
C=CCN(C(=O)CCCC[C@H]1CCSS1)[C@@H](C)COC	855370821	JHWNUKDBEZVRRJ-KBPBESRZSA-N	317.520	3.750	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2ccc(C)c(F)c2)c1	856230666	XVUMTOMGENOODB-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
COc1ccc(NNC(=O)[C@]2(c3ccccc3)CC2(C)C)cc1	857115859	QUAGEQQUCKRNJM-LJQANCHMSA-N	310.397	3.506	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)[C@H](F)c1ccccc1	859639359	YXGPTCFYWMCELT-QWHCGFSZSA-N	315.182	3.662	50	20	DHGD	
Cc1cc(OC(=O)Cc2c(C)[nH]c3ccccc23)ccc1[N+](=O)[O-]	914466910	VEHVRLGJPMXACE-UHFFFAOYSA-N	324.336	3.841	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc(-c3cccs3)oc2C)cc1	915638604	KNDHVMVGMFWWMD-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1cccs1	916339630	IDMUBUOTJPTKMP-NSHDSACASA-N	320.389	3.585	50	20	DHGD	
CCCC[C@H](C)N(CCCC)C(=O)/C(C#N)=C/c1cnn(C)c1	1117816472	ZSOLMFJQSWSUPB-VUVCFOEZSA-N	316.449	3.534	50	20	DHGD	
Cc1cnc([C@H](C)CNC(=O)c2cccc(CCl)c2)s1	1120721896	QXOZBBNYDZBFLV-SNVBAGLBSA-N	308.834	3.724	50	20	DHGD	
CN(C[C@@H]1OCCc2ccccc21)C(=O)C1CCC(Cl)CC1	1263794341	SXISRJIOYVFXOT-DQPZFDDXSA-N	321.848	3.556	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNc1ccc(C(=O)O)c(F)c1	1605265802	NGFUYPZBZZRYBE-GFCCVEGCSA-N	324.396	3.964	50	20	DHGD	
O=C(NN=C1CCC2(CCCC2)C1)Nc1ccc(C(=O)O)cc1	1776046713	DCQHYCJSJIUBIR-UHFFFAOYSA-N	315.373	3.607	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)c2nc(C)cs2)c1C	8239149	DNPXHDCSZXVTBT-WUXMJOGZSA-N	315.398	3.637	50	20	DHGD	
N#C/C(=C/c1cccnc1)C(=O)Nc1ccc(Cl)cc1Cl	39486101	BUWYSSWCBFLMOV-WDZFZDKYSA-N	318.163	3.934	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc2c(F)cccc2[nH]1	44023074	QBUBKHUADHQHGP-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)NC=C(C#N)C#N	105386095	WADTZZTZVGYVHO-SNVBAGLBSA-N	312.373	3.839	50	20	DHGD	
Cc1cc(Br)ccc1C(=O)NNc1ccccc1F	153022109	QGHJXFVGUNYNPG-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2c[nH]c3ccc(Cl)cc23)cc1	158771979	YRZNUTAHWGJCEO-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
C[C@@H](CN(C)/C(=C/C#N)c1ccc(F)cc1)c1nccs1	183981459	GIOLOUGRCWNQRZ-QNKXHIPISA-N	301.390	3.882	50	20	DHGD	
O=C(CCc1ccc(OC(F)F)cc1)NNc1ccc(F)cc1	193170123	XMFKHVLPAVBLFR-UHFFFAOYSA-N	324.302	3.503	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1sccc1-n1cccc1	193206955	RRJIQAIRVXPIQZ-UHFFFAOYSA-N	319.336	3.574	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(OCCC(C)C)cc1	302910810	LQFIIJMHWNIBRK-FOWTUZBSSA-N	300.402	3.545	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cnc(C(C)(C)C)nc1	490979934	ZITMMQDHHXMRRS-DHDCSXOGSA-N	320.396	3.628	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)ccc1C#N	491159424	IQSWHFJOSBCNIM-SKCQWOFPSA-N	315.376	3.651	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2C)o1	588555247	QWCOAKYDFUMLPR-ZROIWOOFSA-N	319.357	3.693	50	20	DHGD	
C=CCOc1ccc(C=NNC(=O)CC2CCCC2)cc1Cl	727257470	OLPNSUNQQBGMLL-UHFFFAOYSA-N	320.820	3.935	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(Cl)cc1	734093367	BYNWYHCAZWFJQB-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CC[C@H]2CCC[C@@H]2C1	745875238	MEUSNOLJWQEWIF-JHJVBQTASA-N	307.825	3.935	50	20	DHGD	
CC/C=C(/C)C(=O)NNc1ccc(Br)cc1CC	753184218	COKZHDXXBDNXEW-POHAHGRESA-N	311.223	3.811	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1ccc(C#N)cc1	754273971	HCUURVAKKOWALW-HOCLYGCPSA-N	319.408	3.991	50	20	DHGD	
CCC[C@@H](C)NC(=O)NNc1cc(C(F)(F)F)ccc1F	754525017	JALANCVOKDXHOM-MRVPVSSYSA-N	307.291	3.659	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OC[C@H]1CCCOC1	766298734	MVMWVZIFHOHGRG-STQMWFEESA-N	304.477	3.670	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(Cl)nc1)c1ccc(Cl)cc1	769153689	XWCPXYASMNHVMC-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](C)Cc1ccccc1F	770383395	UHHNUIZLWGOCMN-GHMZBOCLSA-N	317.198	3.579	50	20	DHGD	
Cn1cnc2cc(/C=C(/C#N)C(=O)c3cccc(F)c3)ccc21	773169399	BEFLADOMPDZBIT-AUWJEWJLSA-N	305.312	3.502	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ccc3ccccc3n2)n1	777463571	XHMBQZIZEHYYRC-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc2cccnc12	781071212	QBJKXGMWTKYLIN-ZDUSSCGKSA-N	321.218	3.983	50	20	DHGD	
CC(C)CCc1nc(COC(=O)/C(C#N)=C\C2CC2)cs1	786674949	YMYOOFRZOLUDQI-QPEQYQDCSA-N	304.415	3.635	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccc1F)c1c[nH]c2ccccc12	787455691	PNFOZHHKEBQYJQ-GFCCVEGCSA-N	311.360	3.944	50	20	DHGD	
Cc1ccc(-c2ncco2)cc1NC(=O)NNc1ncccc1C	792344099	GUKQFIPWUDDSCE-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
Cc1ccccc1C(=O)NN=C[C@@H](OC(C)C)c1ccccc1	792943973	PNAHLKNBTOORCJ-GOSISDBHSA-N	310.397	3.877	50	20	DHGD	
C=C(CBr)COC(=O)C12CC3CC(CC(C3)C1)C2	795355451	XUOKVRBCNPNWCJ-UHFFFAOYSA-N	313.235	3.697	50	20	DHGD	
C=C(CBr)COC(=O)c1scnc1C(C)(C)C	795535691	XRPLOYWDIMSZEA-UHFFFAOYSA-N	318.236	3.549	50	20	DHGD	
N#C/C(=C/c1cc(Br)ccc1F)C(=O)c1ccoc1	798230311	OZQSJYFLLZDXAF-WZUFQYTHSA-N	320.117	3.971	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1	806111055	ZSFOEFHAVFRGKF-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1cccc2ccsc12	806366297	QSKJNCZIQYFAEF-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
CO[C@@H]1C[C@@H](NCc2ccc(OCCCCl)cc2)C1(C)C	811483982	SVVMVBXMGRRXOA-HZPDHXFCSA-N	311.853	3.597	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc(F)c1C#N	812769729	UTXRHLJJKWUKBE-UHFFFAOYSA-N	311.360	3.886	50	20	DHGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2Cl)C1	815850202	BQAODFRAWQXCST-MWLCHTKSSA-N	317.216	3.642	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2cc(Cl)cs2)cc1	817885516	BJTPVXANHLNFDA-UHFFFAOYSA-N	324.833	3.876	50	20	DHGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1ccc(Br)cc1	819409605	LPJGZCAZAKCOBA-GXFFZTMASA-N	311.223	3.719	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)s1)C1CCC1	834930989	PMBMKWLLUOLECN-UHFFFAOYSA-N	315.236	3.807	50	20	DHGD	
C[C@@H]1CC=C(C(=O)NNc2ccc(OC(F)(F)F)cc2)CC1	836777970	BUZLWIKXXNYZNQ-SNVBAGLBSA-N	314.307	3.775	50	20	DHGD	
COc1cc(C)cc(C(=O)NNc2ccc(C(C)C)cc2)c1O	837054055	ZWUPEHQGHHNYOJ-UHFFFAOYSA-N	314.385	3.590	50	20	DHGD	
CC[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(C)cc1O	857081920	KEVWLGJBPHWPNT-AEGPPILISA-N	312.251	3.915	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ccc(F)c(Cl)c1)C(C)C	863079885	DQMIQYCQWDEORM-GFCCVEGCSA-N	304.818	3.700	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2ccc(F)c(Cl)c2)C1	863082315	HQZPWOAUGQPPJC-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCCC[C@@H]1C(F)(F)F	885115694	KLGOWLDAKPTHHN-ZJUUUORDSA-N	322.277	3.777	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(F)cc1Cl)c1ccccn1	885136841	JMVCVXFCKKVOCT-GFCCVEGCSA-N	321.783	3.901	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccnc3cc(Cl)ccc23)cc1	913187905	DZKBELRYNXJUMB-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1cccs1	916336795	OZFUAPYLTJUVPW-CYBMUJFWSA-N	324.405	3.819	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)c(C)c1	916351002	VVFRVMAIVOEHCJ-UHFFFAOYSA-N	300.789	3.650	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cc2cc(Cl)ccc2o1	917550210	ASJSRBZZIIZSSY-UHFFFAOYSA-N	318.682	3.879	50	20	DHGD	
CCC(C=NNC(=O)c1ccc(F)cc1Br)CC	917553495	XTSFKIWAHSZLQR-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
O[C@H]1C[C@H](NCc2cccc(S(F)(F)(F)(F)F)c2)C1	922267239	HNVQANMPXPCPGN-MGCOHNPYSA-N	303.296	3.957	50	20	DHGD	
C=C(CBr)CNC1(c2ccccc2OC)CCC1	1116868778	MXSKKUUEELSKEB-UHFFFAOYSA-N	310.235	3.615	50	20	DHGD	
Cc1nc2c(C(=O)NNc3ccc(C)c(Cl)c3)cccc2o1	1256309418	WJMOIGPWKGKRRY-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1Cl	1318511067	GLOMHYBWZFLZHH-GFCCVEGCSA-N	322.836	3.708	50	20	DHGD	
COC(=O)/C(C#N)=C/c1ccc(-c2nc3ccccc3s2)o1	542368	RBVMFZRTFRVJSQ-CSKARUKUSA-N	310.334	3.636	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2)cc1OC	111682176	YIQOQIFNFFAILT-GDNBJRDFSA-N	322.364	3.558	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc3ccc(Cl)cc3n2)cc1	158759784	GDPZSMJZYOLSDZ-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1	174053181	FZKWAJLMMDJPQD-GZTJUZNOSA-N	306.365	3.687	50	20	DHGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)Nc2ccncc2)cc1	180566059	YZZDKONDYQJENR-LFIBNONCSA-N	321.380	3.662	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccccc1Nc1ccccc1	182532618	XWHOQUXQFJVYDM-UHFFFAOYSA-N	322.343	3.721	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2)cn1	255054676	WNSAAADRLPCTQW-QPEQYQDCSA-N	314.776	3.663	50	20	DHGD	
N#C/C(=C/c1cnc2ccccn12)C(=O)Nc1ccccc1Cl	255549726	XOTSWXJBOJNSRE-XFXZXTDPSA-N	322.755	3.533	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CCO1	271876378	LLWSDCOTSQRFTO-FUHWJXTLSA-N	324.424	3.540	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2nc3ccccc3cc2C)o1	293537161	RSLUKMUPBVQIRX-UHFFFAOYSA-N	324.384	3.549	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCCc3c[nH]nc32)cc1	367927319	PQZBIHMASYWRLS-MRXNPFEDSA-N	319.836	3.585	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)o1	490727013	WWAVYLLNVUTQQQ-OQLLNIDSSA-N	324.380	3.897	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1cccc(OC)c1)c1ccccc1	731932114	ZDOZOFJJXKANIV-SFHVURJKSA-N	310.397	3.729	50	20	DHGD	
CSCC[C@@H](C)NC(=O)NNc1ccc(Cl)cc1Cl	737064049	UREZYSJMDZKLKB-MRVPVSSYSA-N	322.261	3.761	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NNc1cccc2c1CCCC2	748587688	AGUPAKJIVKIFEC-UHFFFAOYSA-N	314.816	3.905	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2ccncn2)cc(C)c1OC(F)F	758914878	IUTYSHIXECXQOC-QPEQYQDCSA-N	301.296	3.759	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cccc(Cl)c1F)c1ccccc1	759667892	WCLGTPGEORBOML-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2c(F)cccc2Cl)c1	770197514	ILIUXUOKZALHSA-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
CCN(C[C@@H](C)CBr)c1ccc(OC)c(OC)c1	770655920	JZNVQQMDYQMSHB-NSHDSACASA-N	316.239	3.561	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCCCOc1cccc(Cl)c1	786679832	CMUIBMVDBLCPKV-LCYFTJDESA-N	305.761	3.512	50	20	DHGD	
C#CCC1(C(=O)NNc2cc(F)c(F)c(F)c2)CCCCC1	788513174	NMIRRTWBXXQZGZ-UHFFFAOYSA-N	310.319	3.521	50	20	DHGD	
O=C(NN=CCc1cccc(Cl)c1)c1cccc2ncccc12	794909270	OYMNTAQJGTZJNP-UHFFFAOYSA-N	323.783	3.847	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)C1	796555029	AEUONRCGUSIWSE-UONOGXRCSA-N	321.373	3.712	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)Oc1ccc(C)cc1	799756354	ZZEUIUDHACITHV-HNNXBMFYSA-N	312.413	3.776	50	20	DHGD	
Cc1csc(Nc2ccc(C(=O)NNc3ccccc3)cc2)n1	810019620	MCBOGHIFPBMUSQ-UHFFFAOYSA-N	324.409	3.952	50	20	DHGD	
C[C@H](C[C@@H]1CCOC1)NCc1ccc(OCCCCl)cc1	811484071	OYBIEJYGYWOJMM-ZBFHGGJFSA-N	311.853	3.599	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CC[C@H](c2ccccc2)C1	814712243	OHOJKLKNAYSRQW-INIZCTEOSA-N	307.397	3.538	50	20	DHGD	
CO[C@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)C1CCCC1	814801570	NHNUVIQHYXPRNQ-WMZOPIPTSA-N	314.429	3.632	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(C(F)(F)F)cn2)CCCC1	828822887	RZEMIGIMJWVRIS-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccncc2C(F)(F)F)cc1	837059824	ZFAAHVYOHPMJDX-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
COC1CCC(NC(=O)NNc2c(C)cccc2C(C)C)CC1	838757497	WWDWOZIOVHNUSO-UHFFFAOYSA-N	319.449	3.702	50	20	DHGD	
CCC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCCCC1	857392579	AKJAQBBROHWEDQ-YPMHNXCESA-N	302.256	3.637	50	20	DHGD	
CC(C)CC(=O)NN=Cc1cccc(Cl)c1Br	872334851	PAALYMZSQMMJHK-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)c1ccc(OC)c(OC)c1	915941276	LOUUJTHLWKDYBC-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(Cl)c(C)c2)CCO1	928339968	OEEVQVXFVUEEPO-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
O=C(COc1ccccc1)NN(c1ccccc1)c1ccccc1	6275026	DLTLTZZPFOCFRI-UHFFFAOYSA-N	318.376	3.935	50	20	DHGD	
CC1(C(=O)NNc2ccc(-c3ccccc3)nn2)CCCCC1	121676031	ZFNPZVVDZSQMES-UHFFFAOYSA-N	310.401	3.557	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(Sc2ccccc2)cc1	125281615	SCCIVKIMUJLELU-LFIBNONCSA-N	315.419	3.747	50	20	DHGD	
N#CC1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCCC1	126338158	DVXAENOTBHIGDJ-UHFFFAOYSA-N	316.163	3.660	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(F)c1)c1ccc(OC)cc1	152771931	QNPKQFCYOVKISR-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(OC2CCCC2)cc1	152799725	GFPZBODTLQMLCV-UHFFFAOYSA-N	314.360	3.904	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccccc3F)csc2C1	152861068	NVBZRVLSIXGYRU-JTQLQIEISA-N	304.390	3.769	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2ccc(Cl)cc2Cl)c1	160154589	JJRVHEGQZKQCQA-WDZFZDKYSA-N	320.179	3.878	50	20	DHGD	
CCn1cc(C(=O)NNc2ccc(F)cc2C)c2ccccc21	179012505	NZICHHQYJFAOIJ-UHFFFAOYSA-N	311.360	3.866	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2c[nH]c3cc(C)ccc23)cn1	194525394	WHIXERQQMRVHBB-VGOFMYFVSA-N	302.337	3.563	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1coc(-c2ccc(C)cc2)n1	255375561	RHAIVLYSBJMGCS-WJDWOHSUSA-N	323.396	3.863	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(OC)c2ccccc12	255549534	MAZNIDFVMVDSAC-QINSGFPZSA-N	308.381	3.672	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CC[C@@H]2CCCC[C@@H]2C1	729935035	IUTCVPAFLVSQJM-GOEBONIOSA-N	314.429	3.787	50	20	DHGD	
C[C@H]1[C@H](C)CCC[C@H]1NC(=O)NNc1cc(F)c(F)cc1F	734651791	ACPCFWSFNVUNJK-VYUIOLGVSA-N	315.339	3.555	50	20	DHGD	
Cc1ccc(C=NNC(=O)Nc2ccc(N(C)C)cc2)c(C)c1	741766269	TWFOMNVHKUTKHU-UHFFFAOYSA-N	310.401	3.525	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)CCOc2ccccc2)cc1	747059339	MCHLCVHQUALRRW-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1C[C@H](C)C[C@@H](C)C1	747750502	ASRJFXIMSSZDFQ-GHMZBOCLSA-N	308.809	3.891	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C/Sc1ccccc1	748561422	QOSZJLJRWAHTNJ-MDZDMXLPSA-N	302.374	3.883	50	20	DHGD	
COc1cc(C(C)=NNC(=O)CC2CCCC2)ccc1SC	749446668	HAYHQRZQTZGQIG-UHFFFAOYSA-N	320.458	3.838	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)c3ccccc3F)oc2cc1C	749812973	UULLBNUOYCIZSZ-UHFFFAOYSA-N	310.328	3.953	50	20	DHGD	
CCC(=NNC(=O)COc1ccc(F)cc1)C1CCCCC1	750922474	NUULTAGDWFNNQD-UHFFFAOYSA-N	306.381	3.667	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)CNc2ccccc2OC)CC1	751515682	CEHBSNAVRCFFOT-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
CC(C)(C)CC=NNC(=O)NCc1cccc(C(F)(F)F)c1	755673763	PNZRFCOTOPQWJD-UHFFFAOYSA-N	315.339	3.927	50	20	DHGD	
CC[C@@H](CC(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768500320	OBBSFOVFLBDCPO-ZDUSSCGKSA-N	308.385	3.590	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)s1)C(F)F	782233650	ABIVTOVBHPCTPB-UHFFFAOYSA-N	314.744	3.784	50	20	DHGD	
C#CCC1(C(=O)NNc2nc3ccccc3cc2C)CCCCC1	788525303	FQBCOPJCVDGFCS-UHFFFAOYSA-N	321.424	3.960	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(OCCC)cc1	792635888	KXBLMJJWIKTAFI-VBKFSLOCSA-N	307.415	3.555	50	20	DHGD	
CC(C)CC=NNC(=O)COc1ccc(Cl)cc1Cl	793092946	LPWIXZQCLRMHMF-UHFFFAOYSA-N	303.189	3.520	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCC(C(F)F)CC1	799473292	ZPYHGJLOVZSALL-UHFFFAOYSA-N	319.355	3.638	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccnc(Cl)c1F	799755393	KCSUGSJZUZYEAI-UHFFFAOYSA-N	307.756	3.502	50	20	DHGD	
C[C@H]1CC[C@@H](C=NNC(=O)c2cccc(Br)c2)C1	800813065	RBGKXKBAYKRMPO-WDEREUQCSA-N	309.207	3.601	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cnn(C(F)F)c1	812958151	FSBOZBCAYZUFPC-UHFFFAOYSA-N	323.347	3.859	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cccc3cc[nH]c23)cc1	814753354	KZDMCAAAXOKVMP-UHFFFAOYSA-N	323.421	3.719	50	20	DHGD	
CCc1cnc(C=NNC(=O)Nc2ccc(Cl)cc2)s1	815004338	FFDHCOZOLYUVCE-UHFFFAOYSA-N	308.794	3.515	50	20	DHGD	
CNc1ccccc1C(=O)NNc1ccccc1C(F)(F)F	816844231	UMVMFOWCADSTRB-UHFFFAOYSA-N	309.291	3.504	50	20	DHGD	
O=C(CCCC(=O)C1CC1)NNc1cc(Cl)ccc1Cl	826567092	CKFXKJFWHHFDHV-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
O=C(/C=C/C1CCCC1)NNc1ncc(Cl)cc1Cl	843859972	VXZZGAVSYVGAGP-AATRIKPKSA-N	300.189	3.578	50	20	DHGD	
Cc1nccc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)n1	844351058	YQSAZIGJHWNAMI-MRXNPFEDSA-N	321.541	3.771	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-c2ccco2)s1	848082554	NPOUZZVATWCYEC-UHFFFAOYSA-N	304.198	3.884	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccc2c(c1)CC(C)(C)O2	855371183	UPHZJWOLRJGSAG-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)[C@H](F)c1ccccc1	859639357	YXGPTCFYWMCELT-CHWSQXEVSA-N	315.182	3.662	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(-c3ccc(C)cc3)c2C)cc1	888398160	UZGSNFPGFROIOT-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NN(C)c2ccccc2)c1	916737484	RIKNOMYCDSMCID-CYBMUJFWSA-N	318.804	3.583	50	20	DHGD	
O=C(NCC1CCCC1)NNc1ccccc1C(F)(F)F	918211615	QCRYDIYUIOGLHU-UHFFFAOYSA-N	301.312	3.522	50	20	DHGD	
CCCC(=NNC(=O)Cc1ccccc1OC)c1ccccc1	920375370	WOVUIQGKKPFPMU-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
CN(NC(=O)c1cc2cc(F)ccc2s1)c1ccccc1	920862824	QYMNILWHBNMAMN-UHFFFAOYSA-N	300.358	3.822	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1F	1253611714	HZCYPWSYIDQQQS-GHXNOFRVSA-N	301.342	3.994	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(C(=O)O)c2)cc1	1776120157	XEGJHNXFBLXSIX-OQLLNIDSSA-N	320.348	3.547	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccc(Br)cc2)c1	48733324	PXQLENNEIYXGMC-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1c(C(=O)NNc2cccnc2Cl)oc2ccccc12	85661494	JDHOPBUCJDYXSK-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CCCC(=CC(=O)NNc1cc(C#N)cc(Cl)n1)CCC	92575740	UJIJZPKVUIRCST-UHFFFAOYSA-N	306.797	3.576	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1	113432269	ULEZGFKHKMTIPU-BDAKNGLRSA-N	322.277	3.777	50	20	DHGD	
Cc1ccc(Br)c(C(=O)NNc2ccc(F)cc2)c1	127284205	IXXQKBFCFSEYNE-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cc(Br)cc(C(=O)NNc2ccccc2)c1	134997717	SODRAPPKUDXLRL-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1csc(-c2ccsc2)n1	141412532	GKRNKAJZBHZFCU-KPKJPENVSA-N	317.439	3.695	50	20	DHGD	
Cc1nc(Cl)ccc1C(=O)NNc1ccc(Cl)c(F)c1	153089254	NHSHZLWEKJCDCB-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(C)c2)c1C(C)C	156227419	VDILCOKPRAPOCG-UHFFFAOYSA-N	313.401	3.714	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NNc1cc(C)cc(C)c1	158595771	FOXDFWIFKOZKKB-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2C[C@H]3CCCC[C@H]3C2)cc1	178299931	BZGMTTJUNXJJDE-SSHXDOOXSA-N	324.424	3.641	50	20	DHGD	
N#C/C(=C\c1cc(F)cc(F)c1)C(=O)Nc1ccccc1F	179171926	SZCBVJBRUTZBBP-VZUCSPMQSA-N	302.255	3.650	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)cc1C#N	180572940	IDRWHOCLDNWIEL-OVCLIPMQSA-N	319.320	3.848	50	20	DHGD	
CCCCSCCC(=O)NNc1ccc2ccccc2n1	181079788	RVZVLBCQZLCSTO-UHFFFAOYSA-N	303.431	3.601	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1OC	191355339	UKHNQFRNSBREKH-GXDHUFHOSA-N	317.348	3.711	50	20	DHGD	
N#C/C(=C/c1ccc(Br)cc1)C(=O)c1ccco1	212645252	GPMGSEXSBBYIAO-FLIBITNWSA-N	302.127	3.832	50	20	DHGD	
Nc1ccc(CCNC(=O)CCCC[C@H]2CCSS2)cc1	238121625	GGWWVOYOHMOWND-HNNXBMFYSA-N	324.515	3.642	50	20	DHGD	
Cc1cc(OC(=O)C2(c3ccccc3)CCC2)ccc1[N+](=O)[O-]	248001256	SVEDANFMXCLUEN-UHFFFAOYSA-N	311.337	3.931	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1cc(-c2cccs2)n[nH]1	254308453	HZFNYAARYDZYJN-RKLMIBPJSA-N	322.393	3.567	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)NNc1ccccc1F	269578809	HYKHZVNOLMFHTN-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(CC)CC)c1C	301237487	DRORQQLXPLMWRQ-WJDWOHSUSA-N	301.434	3.727	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)c(C)c1OC	490938423	FFMOUSFDLCOVKM-PTNGSMBKSA-N	322.364	3.558	50	20	DHGD	
O=S(=O)(CCCCCl)Nc1cccc(C2CCC2)c1	690110235	YRMACGKAMBZWKY-UHFFFAOYSA-N	301.839	3.715	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)COc1ccccc1OC	727253492	DYDBWAGPXVGLRR-AWEZNQCLSA-N	318.417	3.537	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cccc3ncccc23)cc1C	730146083	DZGSQSLGHZHLBQ-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
CCC[C@@H](CC1CCCC1)C(=O)NNC(=O)NC1CCCCC1	733252307	MZGUDAQMNBVBJB-HNNXBMFYSA-N	323.481	3.646	50	20	DHGD	
Cc1ccsc1C(Cc1ccccc1)=NNC(=O)c1ccc[nH]1	735972943	ZOWUSFNTJFGVPL-UHFFFAOYSA-N	323.421	3.761	50	20	DHGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC[C@H](C2CC2)C1	737422798	LECPYFAOKWEHIF-OCCSQVGLSA-N	318.392	3.665	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1ccc(C)c(C)c1	741767097	NEMGXZTWVKGRGL-UHFFFAOYSA-N	324.428	3.915	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C[C@@H]1C[C@@H]1c1ccccc1	755564267	SBWVEGDLDPWREX-MAUKXSAKSA-N	317.392	3.616	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2sccc2C2CC2)c1	759325231	GTDGGZFYCYEUNH-UHFFFAOYSA-N	306.362	3.530	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@H](C)C2CCCCC2)c1	759328434	OHQXXTMHBLCOTG-LBPRGKRZSA-N	308.397	3.884	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)c1cc(Br)c[nH]1	764668702	BSSOXDSAOSBSBV-UHFFFAOYSA-N	314.227	3.709	50	20	DHGD	
C[C@@H]1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	771460751	DTARVHXLJQHMQI-IGYCIJMVSA-N	311.385	3.971	50	20	DHGD	
N#CSCCCNC(=O)CCCc1ccc2ccccc2c1	773585900	BCXFSZNITAFMDK-UHFFFAOYSA-N	312.438	3.883	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCCC2(C)C)c(Cl)c1	773824134	FJMTZJTWTFUPKY-NSHDSACASA-N	323.824	3.627	50	20	DHGD	
O=C(NCC1(Cc2ccccc2)CCCC1)NNc1ccccn1	778791844	YAJGJXLXALEASZ-UHFFFAOYSA-N	324.428	3.511	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2nc(Cl)ccc2F)cc1	780803645	MBIWCPXMBIUVCA-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)c1ccc(Cl)cc1F	782242766	NATXYUNXYKWDIQ-UHFFFAOYSA-N	317.172	3.958	50	20	DHGD	
CSc1ccc(/C=C(/C#N)C(=O)NCc2cccc(C)c2)cc1	786050643	NNNTYVYADFPZTG-BOPFTXTBSA-N	322.433	3.940	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(C)(C)C2)c1C	790232309	TZKVQMNKDCMUEH-YVLHZVERSA-N	313.445	3.680	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccn1)c1c[nH]c2ccccc12	794858252	BHECVQPTNGWWBY-AWEZNQCLSA-N	318.380	3.616	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C(C)(C)C#N)cc1	796039073	BVAQNLWSDMVSTL-UHFFFAOYSA-N	322.202	3.596	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(Br)s1)C(C)(C)C	800808811	QYQUKCOIKIEURD-QMMMGPOBSA-N	317.252	3.908	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1cccc2ncccc12	800812980	OQOWIYQDMXVIAY-CYBMUJFWSA-N	313.376	3.870	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2cc(F)ccc2s1	808247264	VDJJBUVDJRNMEM-UHFFFAOYSA-N	306.189	3.916	50	20	DHGD	
CC(C)c1scnc1NC(=O)NNc1c(F)cccc1F	808915608	PWQKTFIMHGOONL-UHFFFAOYSA-N	312.345	3.693	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)cs2)cc1C	809160473	QNFQQUXCWWOPJE-AWNIVKPZSA-N	311.362	3.853	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)CC1(N(C)C)CCC1	811493937	OKDURPATQYIIGY-UHFFFAOYSA-N	324.896	3.610	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1cc2c(s1)CCC2	812420510	IIPGTCJKDBSPHF-UHFFFAOYSA-N	310.378	3.747	50	20	DHGD	
CC[C@@H](C)CONC(=O)NNc1cc(Cl)cc(Cl)c1	813825405	WLXMETNPBMFQQP-MRVPVSSYSA-N	306.193	3.597	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/C(C)=C/c1ccccc1COC	814187292	FUNMLMPFRRVIID-KFGDLTOCSA-N	312.413	3.603	50	20	DHGD	
CCC(=NNC(=O)CC1CCCC1)c1ccc(Cl)c(N)c1	814825916	NFRHQCGDNXWSAX-UHFFFAOYSA-N	307.825	3.733	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1cc(C(F)(F)F)ccc1F	815870792	NQDFMUGSMNGJSG-UHFFFAOYSA-N	304.287	3.890	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2cccc(Cl)c2o1	816628764	JNKKAMCAZZEOAU-UHFFFAOYSA-N	306.576	3.962	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOC[C@@H](C)CC)c1C	816978822	CAOIZBJBQQYUKW-NWRYFCBHSA-N	317.433	3.516	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc3cccc(C)c3o2)cc1	817909201	XLWFDMGFTSLHNR-UHFFFAOYSA-N	310.353	3.897	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1cnnc2ccccc12	825836442	ZZSHSNKIEGYQLP-CYBMUJFWSA-N	300.406	3.535	50	20	DHGD	
CC(C)=CCN(Cc1ccc(Cl)cc1)S(=O)(=O)CCl	831382886	VQAUYKIYMHNJHY-UHFFFAOYSA-N	322.257	3.634	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	833774539	WIZJYFAZNJPANV-JTQLQIEISA-N	311.769	3.518	50	20	DHGD	
CCCN(N=C1CCc2cccc(O)c21)C(=O)OC(C)(C)C	834978204	WJKFWYTWJIFAFT-UHFFFAOYSA-N	304.390	3.690	50	20	DHGD	
CC(C)[C@@H](CC(=O)NNc1ncc(F)cc1F)c1ccccc1	837205547	BCCVRVONTBYOBT-CQSZACIVSA-N	319.355	3.633	50	20	DHGD	
COCC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCCC1	837571628	BMZTYGVYVSIMEI-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCc2c(Cl)cccc21	848082729	UPUHSTQJRIAGJJ-SNVBAGLBSA-N	306.620	3.632	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1cccc(F)c1Cl	862506481	ZFAHPNOQFMTIIH-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CN(C)C(=O)c1cccc(/C=C(\C#N)c2nc(C3CC3)cs2)c1	899345417	LYNCNPWRDLONPI-OQLLNIDSSA-N	323.421	3.786	50	20	DHGD	
C[C@@H](C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(C)(F)F	912583023	VKURGPIQPDXCGS-NWDGAFQWSA-N	321.484	3.900	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2c(C)n[nH]c2C)cc1	915654413	YWTKVJBHNNTPDN-LFIBNONCSA-N	322.412	3.915	50	20	DHGD	
CCC[C@H](NC(=O)NNc1ccc(F)cc1)c1ccccc1	915913849	DINQROHDOCRZAO-INIZCTEOSA-N	301.365	3.993	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1cc(Cl)ccc1Cl	916245260	HNVYXTLTEGKTLO-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1ccccc1F	916346002	SAQMIXOTNRKKLG-UHFFFAOYSA-N	316.401	3.767	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1cccc(Cl)c1	917555134	CPYDCEGYJWPZGK-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
O=C(NN=CC1CCCCCC1)c1cncn1-c1ccccc1	1116129853	XOTQSKAJQGFTGN-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CC(C)n1c([C@H]2CCCN2C(=O)CCl)nc2ccccc21	1116437489	FBFKKKXLLUQBDX-CQSZACIVSA-N	305.809	3.520	50	20	DHGD	
CC(C)(C)c1cnc(CNC(=O)c2cccc(CCl)c2)o1	1262612917	PMWDMRMKOSNLFF-UHFFFAOYSA-N	306.793	3.641	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1Cl)c1ccc(OC)cc1	1318442829	WHDIBCZTOCMKPZ-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
COc1ccc([C@@H](NC(=O)CCl)c2ccccc2Cl)cc1	1323269465	LXQAGQYAHUSJRK-MRXNPFEDSA-N	324.207	3.793	50	20	DHGD	
O=C(Nc1cccc(CSc2ccccn2)c1)[C@@H](F)Cl	2088605872	VMTVYPWKBICTPM-CYBMUJFWSA-N	310.781	3.847	50	20	DHGD	
CCOc1cccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)c1	6949990	NDYLSEUYUDMYFR-WOJGMQOQSA-N	320.392	3.617	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cc(Cl)ccc1F	91991342	JUBUOARYSONJFO-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(OCCCC#N)c1	102598566	CHFGZELPMHOTAD-VBKFSLOCSA-N	312.369	3.619	50	20	DHGD	
CO[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccccc1	153747425	QKYXGMGCXIUXQZ-AWEZNQCLSA-N	324.302	3.536	50	20	DHGD	
O=C(CCCc1ccccn1)NNc1ccccc1C(F)(F)F	171444396	DEUJIKUMYJGZAW-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(Cc1ccc(C(C)C)cc1)C1CC1	178949745	NXKGWEKSPWUHKC-GHRIWEEISA-N	312.413	3.745	50	20	DHGD	
CC(C)(C)C(=O)NNC(=O)Nc1ccccc1-c1ccccc1	179657949	FGABMGFQZLCNDD-UHFFFAOYSA-N	311.385	3.552	50	20	DHGD	
Cc1cc(C)c(C(=O)CCCC(=O)N2CC=C(C#N)CC2)c(C)c1	271161023	WFFWOIQFPVLCDU-UHFFFAOYSA-N	324.424	3.647	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c1	272911549	YYUUUZSELYFOIJ-DOTOQJQBSA-N	304.434	3.588	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1sccc1Cl)c1ccccc1	588600947	VYGWIGNHGZZSSI-LUAWRHEFSA-N	302.786	3.971	50	20	DHGD	
C[C@@H]1C[C@@H](CC(=O)NNc2ccccc2[N+](=O)[O-])CC(C)(C)C1	727364658	RVMJQBDCDPDSFA-OLZOCXBDSA-N	319.405	3.890	50	20	DHGD	
CCCC1CCC(=NNC(=O)c2cnn(-c3ccccc3)c2)CC1	733077407	XDPDYTWNXLMWKC-UHFFFAOYSA-N	324.428	3.948	50	20	DHGD	
CC(CCc1ccccc1F)=NNC(=O)c1ccccc1F	734091820	LVGQGGGFHHYGBZ-UHFFFAOYSA-N	302.324	3.703	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2ncccc2C(F)(F)F)C1	740096895	HSDRHZHQGXUOHV-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)c1ccccc1F	742472732	QDNKLGNIYRCHBX-SFHVURJKSA-N	322.424	3.973	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(C)(C)C	748711349	WJZPROSCPSNKGY-VQHVLOKHSA-N	311.769	3.684	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1c(C)nn(C(C)C)c1C	749447983	ZVPQWVIBBBDVEJ-UHFFFAOYSA-N	304.438	3.501	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C[C@@H]2C[C@@H]2c2ccccc2)cc1	755743108	JOKGVVWLKHDYID-MAUKXSAKSA-N	322.412	3.664	50	20	DHGD	
CCSc1ccccc1C(C)=NNC(=O)c1ccc(N)cc1	759646931	REUYZNGTTXLYDG-UHFFFAOYSA-N	313.426	3.535	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1F)c1cc2ccccc2o1	759665511	GCDQGTFFILRREI-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccccc1OCCCC	767341173	TXDGOPJDGUMMND-DTQAZKPQSA-N	300.402	3.689	50	20	DHGD	
CC(C)SCC(=O)NNc1c(Cl)cc(F)cc1Cl	767401087	AZVMAZYTAQIZTG-UHFFFAOYSA-N	311.209	3.717	50	20	DHGD	
CCCOc1ccc2[nH]cc(C=NNC(=O)OC(C)(C)C)c2c1	768357037	GETFIIFNSWPFDO-UHFFFAOYSA-N	317.389	3.815	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccccc1Br	769606921	VVJAUOVCVJVEIW-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1)c1occc1C	773103206	MKLCRUGWEFVYPS-GFCCVEGCSA-N	320.776	3.549	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@H]1CCc2c(Cl)cccc21	776232720	YHYJCUFKJBOSID-NSHDSACASA-N	322.195	3.562	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1ccc2sccc2c1	778447184	GTLSCVRINQLTSB-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2ccc3ccccc3n2)cc1	778966406	BWBBDADIAGSRGL-OAHLLOKOSA-N	319.408	3.865	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccc(Cl)nc1	788714811	PIGARAQEKJERSH-UHFFFAOYSA-N	322.195	3.715	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C(C)(C)C#N)cc1	793711097	CJLHQPOJXKWEIE-UHFFFAOYSA-N	311.360	3.692	50	20	DHGD	
Cc1cnc(CC(=O)NNc2c(C)cccc2C(C)C)s1	794953689	NWZMQDZSTGDJLM-UHFFFAOYSA-N	303.431	3.569	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	795115996	DWQKYFDOECVNGP-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
CCC(=O)c1ccc(NCCSSC)c([N+](=O)[O-])c1	804699617	UMWRQNXZWSCAJU-UHFFFAOYSA-N	300.405	3.611	50	20	DHGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)sc2cc(F)ccc12	805179079	QBSMXJGSLFXCPQ-UHFFFAOYSA-N	322.405	3.546	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1c(Cl)cc(Cl)cc1N(C)C	811638981	KETQAFHASFHFJH-VIFPVBQESA-N	316.232	3.556	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)cs1)c1cc(C(F)(F)F)ccn1	812246024	BAFWJWHLCQFNTA-FPYGCLRLSA-N	324.283	3.924	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CSC(F)(F)F	812769684	STJVJNYPIIOSIM-UHFFFAOYSA-N	306.353	3.815	50	20	DHGD	
Cc1ccc(CCNC(=O)NNc2c(C)cccc2C(C)C)o1	813035684	IGUNRJULALUKIE-UHFFFAOYSA-N	315.417	3.889	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(F)cc1Cl	814484037	OCTYLTXQFWTEIQ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCCOc1cccc(NC(=O)NNc2cccc(Cl)n2)c1	814559605	QQQBGKPPCJWHFU-UHFFFAOYSA-N	320.780	3.672	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)CC2CC2)cc1OCC	814988988	BBYWCJBBVQQHGE-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)CC1	836778868	LRTKXBUUTOPCNX-JTQLQIEISA-N	323.318	3.767	50	20	DHGD	
Cc1ccc(C(=O)N(C)CC(Cl)Cl)cc1-n1cccc1	848080091	CIDKFSXHHZTJBS-UHFFFAOYSA-N	311.212	3.661	50	20	DHGD	
CC[C@H](C)C(=O)NNc1ccc(Cl)cc1Br	856233209	GYQNDPIVMAZKAL-ZETCQYMHSA-N	305.603	3.592	50	20	DHGD	
CCC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	857556403	SCRNUWIRTJYXFH-KPYNCUPYSA-N	315.461	3.973	50	20	DHGD	
C[C@]1(C(=O)NNc2ccccc2C(F)(F)F)C[C@H]2CC[C@H]1C2	858278529	BOUOWHRHUPDLLV-PGUXBMHVSA-N	312.335	3.975	50	20	DHGD	
CCCN(CC)C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	914527325	ITOMDCXFGWSKHR-SFQUDFHCSA-N	301.434	3.680	50	20	DHGD	
CCCC(=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	916280661	KHNUVSARLYKTGH-UHFFFAOYSA-N	309.413	3.687	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccc(OC(F)F)cc1	916362117	PRIJIWONVBDFER-UHFFFAOYSA-N	318.323	3.750	50	20	DHGD	
O=C(NC[C@H]1CCOc2ccccc21)c1cccc(CCl)c1	1346810091	NRZSADJKNFZBPT-OAHLLOKOSA-N	315.800	3.722	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)c1ccc(C(=O)O)cc1	1776101071	PBVBYFRITIXFEJ-UHFFFAOYSA-N	324.380	3.513	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(OC(F)F)cc1	120722781	UTGKJUXIHBHDTI-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
CC(C)=CCOc1cccc(C(=O)NNc2cccc(C#N)c2)c1	152613252	FZSJEMTYKAEEKN-UHFFFAOYSA-N	321.380	3.660	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(Oc2ccccc2)ccn1	153206709	QRTALXJEWGXNMS-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2coc3ccccc23)cc1	160229055	YUQSYQHZZKWFIN-MHWRWJLKSA-N	316.360	3.965	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc3c2OCO3)c1C	171389743	BWLHVULTMOJPNP-OQLLNIDSSA-N	305.333	3.822	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)c1nc2ccccc2[nH]1	179026274	JKSAYPCAFMMFPT-ZRDIBKRKSA-N	305.337	3.644	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccn1)c1cccc(C(F)(F)F)c1	181247460	KUMMDJBLEIQUAG-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1c(C)cccc1F	184326802	FVZBTDPXUIHDMO-ACCUITESSA-N	314.360	3.689	50	20	DHGD	
N#C/C(=C\c1cnn(Cc2ccc(F)cc2)c1)c1ccccn1	186959885	DFXXRHUXPJWRMM-CXUHLZMHSA-N	304.328	3.530	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc2ccccc2c1	257351160	CJWFKNVZYVVZAA-UHFFFAOYSA-N	302.377	3.923	50	20	DHGD	
CSSCCNC(=O)N(C)[C@@H](C)c1ccc(F)c(F)c1	283822826	DSNAKSOVFOMNMK-VIFPVBQESA-N	320.430	3.678	50	20	DHGD	
COc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	490839068	CAHQVHRBFDOLLB-RKPNYOAGSA-N	324.355	3.619	50	20	DHGD	
CCCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	491176327	OVEAMIZZBQJYHI-RVDMUPIBSA-N	322.364	3.727	50	20	DHGD	
Cc1cc(C)cc(C[C@H](C)NC(=O)NN(C)c2ccccc2)c1	743669738	DLAFVKGNFJBJSW-INIZCTEOSA-N	311.429	3.585	50	20	DHGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746773356	VDHDCAPUUXUQNW-DTWKUNHWSA-N	303.328	3.555	50	20	DHGD	
COc1ccc(CCC(C)=NNC(=O)CC2CCCC2)cc1	749450052	SFVWYTPAQRLWGG-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
O=C(NN=C1CCCc2c1sc1ccccc21)c1ccncc1	763103561	DSUHSYIRAVYPJO-UHFFFAOYSA-N	321.405	3.767	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)s1	763106049	DTIRMMGSICTCRB-FMIVXFBMSA-N	309.350	3.871	50	20	DHGD	
C[C@H](CC(=O)NNc1ncnc2ccsc12)CC(C)(C)C	766674105	OJGHHFGXWHRBQE-SNVBAGLBSA-N	306.435	3.597	50	20	DHGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NCCCSC#N	773589549	YZMMJBXURYDKEH-AWEZNQCLSA-N	319.474	3.786	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(Cl)c1	774119352	MZYSMSWVOFRWIJ-WDZFZDKYSA-N	316.700	3.940	50	20	DHGD	
CC[C@@H](C)[C@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	779536090	FCEDMMQNRIOSCT-ZJUUUORDSA-N	319.327	3.646	50	20	DHGD	
Cc1nc(CNC(=O)NNc2ccc(C(C)(C)C)cc2)cs1	780816506	FAKNRWNDFCVMAE-UHFFFAOYSA-N	318.446	3.575	50	20	DHGD	
C[C@H]1CCCC(=NNC(=O)c2cc(-c3ccccc3)on2)[C@H]1C	781123746	HOETWIOUOIYVLB-STQMWFEESA-N	311.385	3.884	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1cccn1Cc1ccccc1C#N	782197830	ZFRZROFTVGQPCT-YVLHZVERSA-N	303.365	3.540	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCCC2(CCCC2)C1	783849483	ZJMMZHVWQUGLCL-VBKFSLOCSA-N	312.388	3.915	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ccc2ccccc2n1	785352099	WYGKSTVMGQXDJF-SFQUDFHCSA-N	314.344	3.885	50	20	DHGD	
CCc1nn(C)cc1/C=C(/C#N)C(=O)c1cc2ccccc2s1	788326821	HDWQCAKNFQOZFK-JYRVWZFOSA-N	321.405	3.987	50	20	DHGD	
CC(C)NC(=O)NN=CCCc1c(Cl)cccc1Cl	790159532	IWSDLIIILHWXJK-UHFFFAOYSA-N	302.205	3.619	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1C	794875532	WZCBAZAEOHOTLR-ZROIWOOFSA-N	301.386	3.925	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2c(F)ccc(O)c2F)ccc1[N+](=O)[O-]	794947542	XURDGUJRKUGXHV-XFFZJAGNSA-N	316.263	3.951	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cccc(C2CCC2)c1	798981107	AOIYLNNGEGPCKZ-UHFFFAOYSA-N	302.324	3.989	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2ncccc2c1	799759942	ZKUDWGNRNXQAFN-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)C12CC3CC(CC(C3)C1)C2	811631953	UGVSVVUVYPUZOT-UHFFFAOYSA-N	321.424	3.834	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1nccc2ccccc12	811698181	IWBOERUXUNRDEE-WAYWQWQTSA-N	311.772	3.566	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1C[C@H]2CC[C@H]1C2	812020527	DMIIHLSDUQYZNR-COPLHBTASA-N	315.804	3.768	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cc2ccccc2o1	812432010	BAXPAAIDRACEFU-UHFFFAOYSA-N	317.348	3.607	50	20	DHGD	
C/C(=C/C(=O)NNc1ncnc(Cl)c1C(C)C)C(C)(C)C	816485929	GMIXLYWKZJBFBX-YFHOEESVSA-N	310.829	3.689	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ccccc3)c(Cl)nc12	816840239	HFVHXAJDDYLSNU-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1ccc(OC)cc1	819876100	MBNULIGLHMYVMF-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1ccc(OC(F)F)cc1	827180034	ABBAUQQCZMNJED-NSHDSACASA-N	300.349	3.803	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H](C)C2CCC2)ccc1Br	837487327	FQYJKNAEFYFOTD-JTQLQIEISA-N	311.223	3.637	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cn(CCC#N)c2ccccc12	840735748	SMRBKMXGDKBRFL-JLHYYAGUSA-N	309.344	3.779	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	845857296	XNJJIMWSGLLBIH-UHFFFAOYSA-N	318.339	3.897	50	20	DHGD	
C[C@H]1C[C@@H](C)O[C@H]1C(=O)NNc1ccccc1Cc1ccccc1	846460254	AFAOGOQSARYGBD-QMTMVMCOSA-N	324.424	3.534	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)Cc1ccc2ccccc2c1	853292487	ZJVRIWPEMAPCBG-UHFFFAOYSA-N	307.397	3.814	50	20	DHGD	
C[C@@H](C(=O)OC[C@@H](CBr)C1CC1)c1cccs1	859562829	MTSQBEFKJYWDOB-MWLCHTKSSA-N	317.248	3.816	50	20	DHGD	
CC(=O)NN=Cc1ccc(-c2ccccc2Br)s1	864308445	CFGVOEHDPTVVEQ-UHFFFAOYSA-N	323.215	3.648	50	20	DHGD	
O=C(NN=Cc1cccc(OCc2ccccc2)c1)C1CCCC1	914836290	FXPRVOPATCEGIR-UHFFFAOYSA-N	322.408	3.906	50	20	DHGD	
CC(C)C(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	916327401	AQFRNQLNANQTFT-UHFFFAOYSA-N	306.312	3.547	50	20	DHGD	
Cc1csc([C@@H](C)C(=O)NNc2ccc(Cl)c(C)c2)n1	928339753	JNLUVIKMKZVLHW-JTQLQIEISA-N	309.822	3.660	50	20	DHGD	
Cc1cc(NNC(=O)c2ccc(C(C)C)nc2)ccc1Cl	928340981	JUJIPDSUGRKGHG-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2c(Cl)cccc2Cl)CCO1	1336404846	UIKGBAACPJFBIJ-VIFPVBQESA-N	317.216	3.642	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2sccc2C)cc1C(=O)O	1597790709	CXKYTHKPBKMPFA-POHAHGRESA-N	315.350	3.700	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cccc(Nc2ccccc2)c1	7698299	OCQZFDXEEAYVSM-YPKPFQOOSA-N	307.353	3.813	50	20	DHGD	
CCCOc1ccc(/C=C(/C#N)c2nnc3n2CCCCC3)cc1	48333123	MAAPYJKRRPPZJJ-SSZFMOIBSA-N	322.412	3.857	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2ccc(F)c(F)c2)c(C)c1	88392608	BCVKUVPMZVQYFB-UHFFFAOYSA-N	304.340	3.576	50	20	DHGD	
Cc1cc(C)n(-c2ccccc2NC(=O)NNc2ccccc2)n1	119889361	XVALIWUHAQBKCQ-UHFFFAOYSA-N	321.384	3.638	50	20	DHGD	
C[C@H](CCC(=O)NNc1cccnc1Cl)c1ccccc1	124073209	JRBDXSWYKRNMAD-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(Cl)c2)cnn1C1CCCC1	133357834	QMRIEYUNUYCIMN-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCc1cscn1	171824060	HNTSRAUCSCIMAW-GFCCVEGCSA-N	316.517	3.516	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cccc(C(F)(F)F)c1F	176948753	UXSUAOWLEMUQSL-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	178880262	YDMCAQVWEWTTAR-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(Cc1cccc(Cl)c1)C(C)C	178966383	WZFDAFVRJVCJNX-SDNWHVSQSA-N	306.793	3.521	50	20	DHGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)OCC)cc1OC	212016223	QOWHQJUGBOAREW-GHXNOFRVSA-N	323.776	3.607	50	20	DHGD	
N#C/C(=C/c1ccc2ccccc2c1)C(=O)NCc1ccco1	213359480	ZQBPVLSKZOHCAR-BOPFTXTBSA-N	302.333	3.656	50	20	DHGD	
CCn1nccc1/C=C(/C#N)c1nc2ccccc2n1C(F)F	255005323	BXVYRDOMJGHGGP-LUAWRHEFSA-N	313.311	3.712	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCO[C@@H](c2ccc(F)cc2)C1	255161884	WDBHQMXTELWYKO-XLYVWGIVSA-N	308.356	3.764	50	20	DHGD	
N#C/C(=C/c1cccc2nccn12)C(=O)c1c[nH]c2ccccc12	255554196	HMYFLWCMSWLEPT-RAXLEYEMSA-N	312.332	3.605	50	20	DHGD	
CC(C)[C@@H]1C[C@H](CC(=O)NNc2ccc(Cl)cc2)CCO1	272918703	STDULSWUCVYYQV-DOMZBBRYSA-N	310.825	3.624	50	20	DHGD	
O=C(NN=C/C=C/c1ccccc1)c1cc(-c2ccccc2)on1	606375845	YEWPXCMIIDHLCW-UAPMUVCSSA-N	317.348	3.771	50	20	DHGD	
CC[C@H](CC(=O)NNC(=S)Nc1ccc(C)c(C)c1)C(C)C	729688520	IMGJJBAZXVZQDA-CQSZACIVSA-N	321.490	3.693	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)c1ccc(C(C)C)cc1)c1ccccc1	731999252	NSRIDIRCNWTERO-GOSISDBHSA-N	324.424	3.765	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@H]2CCc3ccccc32)c(C)c1	732469050	WHXNXSDSNFNSEL-QGZVFWFLSA-N	323.440	3.968	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1sccc1C	734093448	HJAVQUMDZZUGQK-UHFFFAOYSA-N	308.790	3.570	50	20	DHGD	
CC(Cc1nc2ccccc2s1)=NNC(=O)OC(C)(C)C	749157390	GLSAOBMXWQLALZ-UHFFFAOYSA-N	305.403	3.739	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCC[C@@H](C)C2)c1	750093176	YUMYPZYODPWTPK-TZMCWYRMSA-N	319.474	3.529	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccnc1C1CC1	752632129	KBADDOYJWWHVQS-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)C1CC(F)(F)C1	753571174	FYRSINROBYWEGA-UHFFFAOYSA-N	316.351	3.770	50	20	DHGD	
CC(C)(C)C1CCC(CC(=O)NNC(=O)NC2CCCC2)CC1	765314682	WAWXYXXPVWPERX-UHFFFAOYSA-N	323.481	3.502	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1CCC(C)(C)CC1	768775407	MUZUNDWNHCPDON-UHFFFAOYSA-N	307.346	3.725	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1ccccc1C(C)(C)C	772847090	HBMVNQSBDGHRIT-UHFFFAOYSA-N	312.417	3.654	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1ccnc2cc(Cl)ccc12	774262498	JWGZVHRUTBMMOE-SNVBAGLBSA-N	323.849	3.863	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1cc(Cl)ccn1	777178598	XMKHAPZBMOWOPY-UHFFFAOYSA-N	319.817	3.770	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H](F)Cc1ccccc1	777927696	FOZDTGJENBEALW-CQSZACIVSA-N	317.316	3.698	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc2cnccc2c1	779753126	VGUHRLCJLTVNRK-ZHVJGSDXSA-N	319.408	3.837	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	779898782	LRCGUMPEBQAXHO-QWHCGFSZSA-N	321.490	3.810	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CSC(F)(F)F)cc1	780805809	BSWDNRRMPNQDQL-UHFFFAOYSA-N	306.353	3.680	50	20	DHGD	
Cc1ccccc1[C@H](C)OC(=O)/C(C#N)=C\c1ccc(O)cc1	784019403	FZJAVQRDJSRBFO-HNDQUVLASA-N	307.349	3.912	50	20	DHGD	
CC[C@H](C)[C@@H]1CCCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	787379367	APAZJULYQGTAFK-MRJXLTKZSA-N	312.413	3.726	50	20	DHGD	
Cc1cc(NC(=O)NNc2cc(Cl)cc(Cl)c2)sn1	792323970	DDSSOMZTRJPOCK-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2ccc(-c3ccccc3)cc2)n1	794564076	FMFBRMYICQEZMO-UHFFFAOYSA-N	315.376	3.821	50	20	DHGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)C1CCOCC1	794956871	AXBBDZPBTBMOJV-DHZHZOJOSA-N	310.180	3.896	50	20	DHGD	
C=C(CBr)COC(=O)/C=C(/C)c1ccc(F)cc1	795465250	KKYGYGGIQRRYLU-XFFZJAGNSA-N	313.166	3.723	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(N(C)c2ccccc2)nc1	797787139	CRKLGFLZBPQQQV-WJDWOHSUSA-N	321.380	3.708	50	20	DHGD	
O=C(NNc1ccccn1)Nc1cccc(-c2ccccc2)c1	806762235	YQLCLSBKSPESNH-UHFFFAOYSA-N	304.353	3.897	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(OCCCCl)cc1	811686084	MWWSLAKOZITDKZ-NTCAYCPXSA-N	320.820	3.518	50	20	DHGD	
CCC(=NNC(=O)[C@@H](CC)c1ccccc1)c1cccc(N)c1	814845317	JUZIMCMZKSPDCT-KRWDZBQOSA-N	309.413	3.693	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(-c2ccccc2)cc1)c1cc[nH]n1	814857163	XHNXKQHFKAVAIJ-UHFFFAOYSA-N	319.368	3.622	50	20	DHGD	
CN(NC(=O)c1ccc(CSc2ccccc2)cc1)C1CC1	819640824	FSVNQGYOXQZJEP-UHFFFAOYSA-N	312.438	3.718	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@]2(C)CC2(Cl)Cl)c1	826909481	RDYZDMIFVFAYKW-GFCCVEGCSA-N	305.180	3.551	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@]2(C)CC=CCC2)c(Cl)c1	831940230	RITLYQGGKDMIAN-MRXNPFEDSA-N	321.808	3.548	50	20	DHGD	
C=CCCO[C@H](C)C(=O)NNc1ccccc1Cc1ccccc1	846463769	HMRKNRJRIQLFDW-MRXNPFEDSA-N	324.424	3.702	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CCC(=C3CCC3)CC2)c1	853269616	UYERIGDNGUYCOJ-UHFFFAOYSA-N	311.429	3.893	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)[C@H]1CCC[C@@H]1c1ccccc1	855466790	XTSHBTAZAALCMS-CABCVRRESA-N	315.804	3.762	50	20	DHGD	
C[C@H](CCC(=O)NC[C@@]1(C)C[C@H]1Br)c1ccccc1	857394428	RDSNDZSQBSYQAN-XNRPHZJLSA-N	324.262	3.860	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cccc(Br)c1Cl	872343613	INAVOBRGNDMULH-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
CCn1cc(C=NNC(=O)CC2CCCC2)c(-c2ccccc2)n1	884424601	BOSBLSQMOLPITM-UHFFFAOYSA-N	324.428	3.600	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)cc1)c1ccccc1Cl	916326826	SLKZNOGXUTYKES-UHFFFAOYSA-N	316.788	3.568	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1ccc(C)s1	917026770	RJARGUBFDIFMDQ-UHFFFAOYSA-N	304.440	3.761	50	20	DHGD	
CC(C)CC=NNC(=O)COc1ccccc1-c1ccccc1	920947114	BQWGWCNVNQDDDQ-UHFFFAOYSA-N	310.397	3.881	50	20	DHGD	
C=CCCO[C@@H](C)C(=O)NN(Cc1ccccc1)c1ccccc1	921145917	RRDDYHOIAYOQBH-KRWDZBQOSA-N	324.424	3.706	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H](c2ccccn2)C2CC2)cc1	925577642	PNNZZISAWWOEFN-GOSISDBHSA-N	324.428	3.982	50	20	DHGD	
CCn1ccnc1[C@H](C#N)C(=O)CCCC[C@@H]1CCSS1	1263617060	SRCHTKQRBQJHFB-CHWSQXEVSA-N	323.487	3.793	50	20	DHGD	
O=C(CCl)N[C@H](c1ccc(F)cc1)c1ccccc1Cl	1323268850	GMCBXQWIEIZLQY-OAHLLOKOSA-N	312.171	3.924	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)O)cc1F	1595126702	YZGZJZDGRGMWQS-GFCCVEGCSA-N	322.380	3.574	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1C	11291600	LMTHMWGXWQGORQ-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2)cc1	16437219	PAHXTYQAZAAMOW-LFIBNONCSA-N	317.348	3.503	50	20	DHGD	
Cc1ccc(NS(=O)(=O)c2ccc(CCCl)cc2)cc1C	20190846	ARWWTCAQGUHWKO-UHFFFAOYSA-N	323.845	3.886	50	20	DHGD	
CC(C)Oc1ccccc1NC(=O)NNc1ccccc1F	92424127	XQRLIKOJMRBGGW-UHFFFAOYSA-N	303.337	3.762	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(Cl)ccn1)c1ccc(F)cc1	128679967	QPDFFXNCSVMRMI-CYBMUJFWSA-N	307.756	3.511	50	20	DHGD	
Cc1ccc2ncc(/C=C(\C#N)C(=O)c3ccc(C)s3)n2c1	151425136	NCVIESSYNJAIOS-NTUHNPAUSA-N	307.378	3.803	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccccc1F	152916874	QOWSUQQOLSUOHU-OAHLLOKOSA-N	304.390	3.840	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(F)c(F)c1F	153351461	ZVGNGICFPCDRKI-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
O=C(NC1CC=CC1)NN(Cc1ccccc1)c1ccccc1	154892292	RHUACQGFMXSFQM-UHFFFAOYSA-N	307.397	3.626	50	20	DHGD	
CC(C)Sc1ccccc1C(=O)NNc1ccc(C#N)cc1	155558226	LHJXAPZETPIJLD-UHFFFAOYSA-N	311.410	3.816	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNc2ccc(C#N)cc2)cc1	155572016	IJDOFWVKWRHDGO-UHFFFAOYSA-N	311.410	3.816	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccc(F)cc1F)C1CCCCC1	171982368	KYTNCBVYWVNGIJ-UKTHLTGXSA-N	304.340	3.663	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(Cl)cc2Cl)n[nH]1	178885293	AZAHQMOWTFIYKC-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3cccc(F)c3)cnc12	193163123	ACAJVOJWZQUNEG-NTEUORMPSA-N	305.312	3.572	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)c1cc(F)cc(F)c1	194538699	GIUHKNQFLIPVSM-BJMVGYQFSA-N	300.289	3.688	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(SC(F)(F)F)cc1	206370681	GFZXAKLSRCTCSK-DHZHZOJOSA-N	313.300	3.935	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	255567134	URRZJFTXKNNPIL-UXBLZVDNSA-N	316.710	3.792	50	20	DHGD	
C[C@H](Cc1ccc(C(F)(F)F)cc1)C(=O)N1CC=C(C#N)CC1	272691395	QJIGKAXJISFPMB-GFCCVEGCSA-N	322.330	3.566	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCCC(F)(F)C1	281925454	AWAQQGBWPMBDBF-SJWLEHQBSA-N	322.330	3.674	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@@H]1CCCC(F)(F)C1	282866133	XRGLWSNCYOBYBP-GFCCVEGCSA-N	305.328	3.503	50	20	DHGD	
CC1(C)CC(=NNC(=O)CCc2ccccc2O)c2ccccc21	729934536	KTUFHWFHTTXGRI-UHFFFAOYSA-N	322.408	3.527	50	20	DHGD	
CCOC(=O)/C(C#N)=C/NCC1CCC(c2ccccc2)CC1	730996554	RNXMRDHEVPSYMK-NBVRZTHBSA-N	312.413	3.521	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ncccc2Cl)c(C)c1	734246424	VKEYZVDNKZYOAO-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cn(C)c3ccccc23)cc1	744781825	INHKCBKSRZDMFA-UHFFFAOYSA-N	305.381	3.505	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1ccccc1F	748049424	YNGBHCNXQZZBSZ-XEZPLFJOSA-N	308.397	3.643	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)Oc2ccccc2Cl)c1	748407852	LXBZPNIOBQQDIU-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	748571768	OSYMSIRHQSCPJM-XHDPSFHLSA-N	316.376	3.926	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1cc(Cl)ccc1O	749744708	HNWPTPNSASCISE-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
CC[C@]1(C)CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752484204	FHOQNKZJOVEEDY-VHUCWBOISA-N	300.377	3.771	50	20	DHGD	
CCCCSCC(=O)NNc1cc(Cl)ccc1Cl	752810963	HNICPXBYALMRLR-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2c[nH]c(C(=O)OC)c2)cc1	753132687	IMYXZGMHXKPKGL-CXUHLZMHSA-N	322.364	3.544	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1occc1C	767748606	HXUOLEIDKUDLRS-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	769557008	OEMVSMWGGADBKR-NXEZZACHSA-N	311.769	3.518	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@H](c2ccccc2F)C1	770655085	WEUAUSWKHGZBLA-VXGBXAGGSA-N	300.215	3.646	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1oc(C(C)C)nc1C#N	775684212	ZHLRTXVVAAGPIP-LBPRGKRZSA-N	306.410	3.719	50	20	DHGD	
N#C/C(=C/c1cnc(-c2ccccc2)nc1)C(=O)C1CCCC1	781555496	JVBPBEAPJUKAJN-YVLHZVERSA-N	303.365	3.810	50	20	DHGD	
COC(=O)NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1	781570822	CMOQGBMUAWNQNY-UHFFFAOYSA-N	312.247	3.655	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCCC(Cl)(Cl)Cl	785378834	NRTVVYKUCQBFSB-DHZHZOJOSA-N	318.587	3.897	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1ncccc1Cl	792642238	GTHWIZZZISLPIC-UHFFFAOYSA-N	321.833	3.502	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC[C@@H](CC(C)C)C2)cs1	794471464	SDPLFLBMXGFMQC-ZDUSSCGKSA-N	307.463	3.703	50	20	DHGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)C1CCOCC1	794955003	XQASFTFBHMGYIW-LGMDPLHJSA-N	313.397	3.768	50	20	DHGD	
CC[C@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCCO1	799071005	XZCZGQPLHWUVPH-UONOGXRCSA-N	317.520	3.728	50	20	DHGD	
CC(C)CC1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCC1	802016184	PFNVUQBSLZGUGY-UHFFFAOYSA-N	323.824	3.709	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OCCCCF)c(C)n1CC(C)C	803234196	JBAIBDSTQLCNPZ-LICLKQGHSA-N	320.408	3.961	50	20	DHGD	
O=C(O)c1ccc(C(=O)/C=C/c2cccc(CCl)c2)c(O)c1	806559040	SKEBJZKGSDJDOF-QPJJXVBHSA-N	316.740	3.725	50	20	DHGD	
Cc1c(C(=O)N(C)CC(Cl)Cl)oc2c(C)cccc12	808245322	AEQZSZIIQDFKIT-UHFFFAOYSA-N	300.185	3.925	50	20	DHGD	
CN(NC(=O)NCc1ccc2sccc2c1)c1ccccc1	811925863	FMZYIGPBKRVIBX-UHFFFAOYSA-N	311.410	3.752	50	20	DHGD	
CCCC(=NNC(=O)c1cc2ccccc2o1)c1ccccn1	814866869	ILFCFPHHLAURGO-UHFFFAOYSA-N	307.353	3.762	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCN(c2ccccc2)C1	831243879	ZGXJXKYPGRECEC-KRWDZBQOSA-N	323.440	3.527	50	20	DHGD	
Cc1ccc([C@@H]2C[C@H]2C(=O)NNc2cc(Cl)ccn2)cc1C	831794416	LDPJRUPISPPKFA-LSDHHAIUSA-N	315.804	3.599	50	20	DHGD	
CCCN(N=C(C)Cc1ccnc(OC)c1)C(=O)OC(C)(C)C	834976872	BKCHCBCJBBFTJM-UHFFFAOYSA-N	321.421	3.656	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1C[C@H]1CCOC1	844349955	QWWNZNHZTOGVRD-CVEARBPZSA-N	313.558	3.899	50	20	DHGD	
CSCC1(CC(=O)NNc2cccc(C(F)(F)F)c2)CC1	845855417	ADXWOVWEHCROEW-UHFFFAOYSA-N	318.364	3.682	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1cccc(F)c1F	851904803	CAOPGLFXEGAJGU-RLCGTCKNSA-N	304.178	3.789	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(O[C@H](C)COC)cc1	853006935	YWIYYVMHSXPJNC-ORDDCKFQSA-N	301.386	3.622	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NNc1ncnc(Cl)c1C(C)C	854943169	GIUVTCNTVRKRHA-AWEZNQCLSA-N	316.808	3.615	50	20	DHGD	
CC1(C)CCC(C)(C)c2cc(C(=O)NN=c3cc[nH]cc3)ccc21	857483487	ZGIOXLUIIFGNJC-UHFFFAOYSA-N	323.440	3.609	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2cc(Cl)ccc2C)c1C	885124618	AQKMWHXICKZOBX-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NC1(C2CCCCC2)CC1	891277132	XXWZWOLRAROSES-NTCAYCPXSA-N	310.397	3.528	50	20	DHGD	
CCO[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	905451149	XMSSWLDWUCAMLH-LBPRGKRZSA-N	312.772	3.544	50	20	DHGD	
CCCCC(=NNC(=O)CNc1ccccc1)c1ccccc1	915918514	BEMFNXMTWUJXSR-UHFFFAOYSA-N	309.413	3.809	50	20	DHGD	
CCCCCCCCCNC(=O)NNc1cncc(Cl)n1	916194360	VYFLNJABPZFANG-UHFFFAOYSA-N	313.833	3.507	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1)c1ccc(F)c(F)c1	1253442948	PZCNYNLBJQMJME-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2cc3ccccc3o2)cs1	1318955113	XNHJTOBIDIAOTI-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1C1=CCCCC1)C1CCOCC1	1330895209	CDMUELDOLRKOIK-INIZCTEOSA-N	304.434	3.576	50	20	DHGD	
C#CC[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	1343308485	HARLZXMOHFZUFA-BRFSQIRFSA-N	312.413	3.767	50	20	DHGD	
Cc1nc2c(s1)[C@H](NC(=O)C1CCC(Cl)CC1)CCC2	1349415030	XTVZKRCAYBVRPY-GCZXYKMCSA-N	312.866	3.743	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1Cl	8238102	BUXJDVMIEXWGDS-IZZDOVSWSA-N	316.700	3.940	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	49065678	YHQKXGDRTGOMSA-WDZFZDKYSA-N	302.380	3.508	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1cc(C#N)cc(Cl)n1	126009719	RKNPPLAFSGAPSI-NSHDSACASA-N	308.813	3.656	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2cccc(C#N)c2)cc1	152239896	WPUZAAHZTYVWHT-UHFFFAOYSA-N	323.396	3.884	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(F)ccc2Br)cc1	161225235	BWPCGELSWUTWHR-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cccc3cnccc23)CC1	178494994	BGDMHOWDADDBTI-UHFFFAOYSA-N	317.392	3.718	50	20	DHGD	
C/C(=C\C(=O)NNc1c(C)cccc1F)c1ccc(F)cc1	184372097	YTYNTNAIONWHGH-ZRDIBKRKSA-N	302.324	3.820	50	20	DHGD	
Cc1nc2cc(F)ccc2cc1C(=O)NNc1ccc(F)cc1	194709732	CVFOLGBLGRKKCV-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCC[C@H](C(F)(F)F)C1	272463078	LCQPUNRBWSIRSU-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OC)c([N+](=O)[O-])c1	280952254	JVEPYXVRRHSGJZ-WQLSENKSSA-N	302.330	3.516	50	20	DHGD	
C[C@H]1C[C@@H](CC(=O)NNC(=O)CC2CCCC2)CC(C)(C)C1	727488860	ZRWYLMGQKLBIMA-ZFWWWQNUSA-N	308.466	3.567	50	20	DHGD	
CC(C)C1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	729630995	CIDVNFSSOMWSJG-UHFFFAOYSA-N	303.362	3.527	50	20	DHGD	
Cc1ccc(C[C@@H](C)NC(=O)NN(C)c2ccccc2)c(C)c1	731222388	VYCABZYGVWEKAM-MRXNPFEDSA-N	311.429	3.585	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1cccc(C(F)(F)F)n1	740141831	QWCZQWUEYLQGSL-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
C[C@@H](C(=O)NNc1c(F)cccc1F)c1cccc(Cl)c1	743454948	GEXDXHPLZVGHGA-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
Cn1c(/C(C#N)=C/c2nc(Cl)cs2)nc2ccccc21	759073399	NFHYCXCWASGEIX-RMKNXTFCSA-N	300.774	3.747	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)c2cccc(OC)c2)c1C	759668129	ZERWSELCFAVFRP-LFIBNONCSA-N	323.396	3.708	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1cccc(Br)c1	761996945	UXEYNSVRPLCRHY-JTQLQIEISA-N	313.239	3.965	50	20	DHGD	
Cc1sc(Cl)nc1C(=O)NNc1ccc(Cl)c(F)c1	762889814	BXSMTNUPLULDCB-UHFFFAOYSA-N	320.176	3.654	50	20	DHGD	
Cc1ccc2c(c1)N(/C(=C\C#N)c1cccc([N+](=O)[O-])c1)CC2	764323300	SAFVXDFHFZNPEG-IDUWFGFVSA-N	305.337	3.830	50	20	DHGD	
O=C(NN=C1CC(C(F)F)C1)c1ccc(Cl)cc1Cl	766014381	DXNHMAWAWRRKAZ-UHFFFAOYSA-N	307.127	3.754	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)c(C)c2)cc1	766288776	LFAVYVYNOMRBIB-WOJGMQOQSA-N	315.376	3.975	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)c1ccc(F)c(F)c1	767330403	RUDQQZCCKVSHBX-LLVKDONJSA-N	320.177	3.737	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(Br)ccc1Cl	767776712	OCINWAKHNVBUHD-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
COc1ccc(NNC(=O)Cc2ccc(C(C)(C)C)cc2)cc1	767956798	CJQXKBKYXRYNSK-UHFFFAOYSA-N	312.413	3.679	50	20	DHGD	
CC[C@H](CC(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768500318	OBBSFOVFLBDCPO-CYBMUJFWSA-N	308.385	3.590	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2cc(F)c(F)c(F)c2)CC1	769154510	KNDKDXJMPGQTAG-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
C#CCN(C[C@H](C)CBr)[C@H]1CCc2ccccc21	770648166	OVEJIJZDWZVXPH-CJNGLKHVSA-N	306.247	3.640	50	20	DHGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	773736672	RAEWBQFVJPNXGH-ZDUSSCGKSA-N	305.466	3.594	50	20	DHGD	
COc1cc(/C(C#N)=C/c2cccnc2Cl)ccc1[N+](=O)[O-]	774559143	DXCSFQIYRKKNKY-KPKJPENVSA-N	315.716	3.716	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2ccc3ccccc3n2)cc1	777465164	ADFITBWKQMBOJG-UHFFFAOYSA-N	319.364	3.584	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1nc2ccccc2cc1C	777482010	RHSPRQUFCHUNNW-GFCCVEGCSA-N	303.431	3.518	50	20	DHGD	
CC(C)(CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1	785201450	YUEIAXQUGQWUBY-FOWTUZBSSA-N	322.383	3.827	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCCCOc1ccc(Cl)cc1	786672432	ABWGFGKOKAOETO-JLHYYAGUSA-N	305.761	3.512	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H](CCO)c1ccccc1	788019544	AEOALSYRATVLAX-INIZCTEOSA-N	309.526	3.722	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccccc2F)ccc1Cl	788539481	BTBBCWJLECIOQO-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CC[C@H](Cl)c1nc(=O)c2cc(F)c(Br)cc2[nH]1	794863205	UGUAMQGGIFDZGS-ZETCQYMHSA-N	319.561	3.515	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1OC(F)F	798229406	ASSPXNQVTIPDOF-WUXMJOGZSA-N	319.263	3.679	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H]1CCC[C@H](SC)C1	799588335	RXPXYLHVVJSUOB-GJZGRUSLSA-N	321.490	3.858	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(Cl)c3ncccc23)c1	801176088	BCAJGXGCLFCZRY-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	803226504	XPUHNWDPTFEYIS-SOUVJXGZSA-N	316.449	3.650	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1nccnc1C1CCC1	805466122	XBHXFMMKAOPJAM-ZDUSSCGKSA-N	304.438	3.794	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(CCCl)c2)cc1C	809160769	ZGHKLADGZUGSJG-LZYBPNLTSA-N	313.788	3.529	50	20	DHGD	
Cc1ccc2nc(C(=O)NNc3c(F)cccc3F)ccc2c1	815852524	YNPPCZKHWARBEG-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
N#C/C(=C\c1ccc(N)nc1)c1nc2cc(Cl)ccc2s1	821040497	YTATVKISUBLRCJ-BJMVGYQFSA-N	312.785	3.991	50	20	DHGD	
CN(C)c1nnc(SCCO[Si](C)(C)C(C)(C)C)s1	821078044	GBOKHLZZHVICNT-UHFFFAOYSA-N	319.572	3.718	50	20	DHGD	
COC1CCC(CC(=O)NNc2c(C)cccc2Cl)CC1	836932780	DCYVGPBUSYTUQA-UHFFFAOYSA-N	310.825	3.687	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2cc(F)ccc2C)cc1	855365199	GZJSKOJMXZRENU-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
CC[C@@H](Cc1ccccc1C)C(=O)NNc1ccnc(Cl)c1	855461585	DQFQWTKYNITFCG-ZDUSSCGKSA-N	317.820	3.755	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccc(Cl)cn3)csc2C1	856095059	DTSUMJOAFXGPOD-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
Cc1cccc(NNC(=O)Nc2ccccc2OC(C)(C)C)n1	860643386	WMLWMRZGOYSDTD-UHFFFAOYSA-N	314.389	3.716	50	20	DHGD	
C[C@@H]1CCCCN1NC(=O)CCCC[C@@H]1CCSS1	912155838	ILRWFTYJHJWSAH-CHWSQXEVSA-N	302.509	3.606	50	20	DHGD	
COc1ccc(NCC(=O)NN=C(CC(C)C)CC(C)C)cc1	915916197	NSSQCPKVFUTHNJ-UHFFFAOYSA-N	319.449	3.672	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	915989368	GYZONJFFNDABME-NVNXTCNLSA-N	321.332	3.522	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)c2ccc(CC)cc2)cc1	916329463	KJXJUHDCGOKDQY-UHFFFAOYSA-N	310.397	3.802	50	20	DHGD	
COc1cc(C(=O)NN=CC2CCCCC2)ccc1OC(C)C	916352195	RNJDHYYCPHUNDI-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
CCOc1nccc(C)c1C(=O)NNc1ccc(Cl)c(C)c1	928339884	MTQJQJHUISHZSA-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
CSc1ccc(CCC(=O)N(C)CC(Cl)Cl)cc1	936001404	ZWCQDRFQARTZGZ-UHFFFAOYSA-N	306.258	3.603	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(Cn3cccc3)cc2)c1	1320011713	GXWJQTOSCMQLPT-UHFFFAOYSA-N	319.408	3.910	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc(F)c2Cl)c(C)n1C1CC1	1329077825	JEEDWUMZONQYFA-UHFFFAOYSA-N	321.783	3.989	50	20	DHGD	
O=C(NN=C1CCCc2c(O)cccc21)c1ccccc1Cl	1339605378	SBINFKIAUOQKPN-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
CC(C)CCO[C@H](C)C(=O)NNc1cccc(C(F)(F)F)c1	103276872	IPNOXWBQUIXGFA-LLVKDONJSA-N	318.339	3.600	50	20	DHGD	
O=C(NNc1nc(C(F)(F)F)cs1)c1cccc(Cl)c1	152829715	MHWFHBWWRVDFBL-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccncc1Cl)c1ccccc1	154779293	KYOZVXQNMRZPII-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCC1(c2cccs2)CCCCC1	159638612	UQPXAAJGRGZEPB-OWBHPGMISA-N	318.442	3.510	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	170933593	ZAIBNXDQAKUNJO-NTEUORMPSA-N	310.378	3.805	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COCC1CC1	175631392	VNVZOORPUOGTLE-UHFFFAOYSA-N	318.442	3.750	50	20	DHGD	
Cc1ccc(C(=O)NNc2nc3ccccc3cc2C)c(C)c1	181282208	QRVKOFCINMQFAY-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
COc1cc(C(=O)NNc2nc3ccccc3cc2C)ccc1C	181285524	RIVHKKKCOXOQMM-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(-c3cccs3)on2)c1	192792000	ITWULIZVIBODGR-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2cc(C#N)cc(Cl)n2)CC1	245513964	DZGUQPOISGIANL-JOCQHMNTSA-N	320.824	3.512	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1C#N	255638816	MXOYCZJGPOHTLX-ZSOIEALJSA-N	305.293	3.539	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc3c(c2)CCCCC3=O)cc1	289877824	RDNCFMRKEFXNLV-UHFFFAOYSA-N	308.381	3.661	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ncccc1CSC	291499146	HHEGIOUFRJZQCS-UHFFFAOYSA-N	315.442	3.572	50	20	DHGD	
CN(C)[C@H]1CCCN(Cc2ccc(OCCCCl)cc2)CC1	365664649	WILPGZUNUFSHHR-KRWDZBQOSA-N	324.896	3.610	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2ncccc2c1	588429691	KDOTYKLIDONFNR-GDNBJRDFSA-N	317.323	3.920	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1F	727654262	KAFVXYWFBUENBP-UKTHLTGXSA-N	312.319	3.821	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@@H]1CCCC[C@H]1C)c1ccccc1	732000236	GZPVWCXFSBRUOU-PVAVHDDUSA-N	316.445	3.544	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNC(=O)c1cccc2ccccc12	741576152	MLEXDAILMDNVIW-GDBMZVCRSA-N	324.424	3.817	50	20	DHGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)CNc2ccccc2)cc1	741837189	KWCZISITSVIBPY-SFHVURJKSA-N	321.424	3.847	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC1CCCC1	742429640	UMUPZYLQDHKEDU-WQLSENKSSA-N	305.761	3.741	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cc(F)c(F)c(F)c3)CC2)c1	746701091	IHMNUWBUTCJXPY-UHFFFAOYSA-N	320.314	3.587	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NNc2cccc3c2CCCC3)c1	748588936	UCIRIDGXZAFBNJ-OAHLLOKOSA-N	324.424	3.784	50	20	DHGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2cccc3cnccc23)C1(C)C	748763959	OIGFLAIKKMFACV-NVXWUHKLSA-N	309.413	3.916	50	20	DHGD	
C[C@H](C=NNC(=O)Cc1ccc(F)cc1)CCc1ccccc1	749158728	QMKIVUHCUVMDMW-HNNXBMFYSA-N	312.388	3.739	50	20	DHGD	
O=C(NNC(=O)C1CC1)Nc1ccc(N=Nc2ccccc2)cc1	753945092	FICIOLJIPZVMSE-UHFFFAOYSA-N	323.356	3.665	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2cc(C)ccc2F)c1	760137692	NSGRGVSCNRBNMQ-UHFFFAOYSA-N	318.417	3.819	50	20	DHGD	
CCC1(C(=O)NNc2ccc(-c3ccccc3)nn2)CCCCC1	764459176	XBTZWRNRRFDAFK-UHFFFAOYSA-N	324.428	3.947	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CC[C@@H]1c1ccccc1	769782553	YDKGUIUYRGABDM-QGZVFWFLSA-N	317.392	3.760	50	20	DHGD	
C=C(C)COc1cccc(NC(=O)NNc2ccc(F)cc2)c1	769998253	DDQZTGZXBHDVJP-UHFFFAOYSA-N	315.348	3.929	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1cccc(C#N)c1	775781402	LFCBWGFAPFQBCZ-OAHLLOKOSA-N	307.397	3.660	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@H]2CCO[C@@H](C(C)C)C2)c(C)c1	782017218	SRXJCFUDTOBLMG-DLBZAZTESA-N	318.461	3.896	50	20	DHGD	
CC1(C=NNC(=O)COc2ccccc2-c2ccccc2)CC1	782134403	CBZSDHJJTXRYAF-UHFFFAOYSA-N	308.381	3.635	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H]2CCC[C@H](C)C2)ccc1Cl	788876098	VZGJZGNMXYIWBG-WDEREUQCSA-N	311.813	3.553	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1cc(F)c(F)c(F)c1	793713855	UJAIBIJJNLXREY-ONGXEEELSA-N	300.324	3.763	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2cc(-c3ccccc3)cs2)n1	794572156	RNXLYVRNUZQOOX-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2ccc3occc3c2)cc1	794878537	QEDCKHPQVLHSRW-UHFFFAOYSA-N	324.405	3.984	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(C)nc2sc(C)cn12	794951311	CVXISYXJXXAOCP-GHXNOFRVSA-N	301.415	3.925	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2sccc2C)ccc1C#N	799495162	OLCIIPZGFUSSDG-AUWJEWJLSA-N	308.362	3.727	50	20	DHGD	
CC(C)(C)c1ccc(CCC(=O)NNc2ncccc2F)cc1	804218234	QQYXYEGDKCMGCQ-UHFFFAOYSA-N	315.392	3.594	50	20	DHGD	
CCCCOc1ccccc1NC(=O)NNc1ncccc1F	806224381	GVYILEQSADKHCW-UHFFFAOYSA-N	318.352	3.548	50	20	DHGD	
Cc1nc(-c2cccc(C(=O)NCC(Cl)Cl)c2)cs1	808130716	IDUCTWUOOBYPRQ-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cn1	809146304	OELKRJGHYPEVTQ-WQRHYEAKSA-N	319.408	3.944	50	20	DHGD	
COc1ccncc1NCc1ccc(OCCCCl)cc1	811485265	ZGCMAYBECMSYQM-UHFFFAOYSA-N	306.793	3.710	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	812239931	HMBLCPJYWPTHIH-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])[C@@H]1CC2CCC1CC2	814315788	NTAFZKYXVJXEDR-RTYFJBAXSA-N	323.780	3.518	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)Cc2nc(-c3ccccc3)cs2)C1	814785821	IVKDHXDTIIXBEX-GFCCVEGCSA-N	313.426	3.645	50	20	DHGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NCC(Cl)Cl	816604311	FZKQKOFLVJDYNM-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNc1cccc(Cl)n1	817008993	PZVMMPZWAKNBLM-ZRDIBKRKSA-N	301.777	3.590	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1cccc(Cl)n1	817009067	SNRHDQFEDTXLPO-UHFFFAOYSA-N	315.804	3.762	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C[C@H]1C	827181134	WUBFPXVFKUUQND-UTUOFQBUSA-N	312.360	3.803	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CC[C@H]1CC1(Cl)Cl	830801861	ODLDQASZPKNEPQ-VIFPVBQESA-N	305.180	3.551	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccnc2NC(C)C)c(Cl)c1	836936893	SMZBPHXXNYVOFH-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H](c1cccnc1)C(C)C	836937139	VMHRGCWFPGBSKR-OAHLLOKOSA-N	317.820	3.926	50	20	DHGD	
CSCCCCC(=O)NNc1cccc(Cl)c1Cl	838347444	XYPMNFAACRDEEX-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2ccnc(N)c2)C1	844338060	WWWNNISFIBEMFV-HNNXBMFYSA-N	321.541	3.650	50	20	DHGD	
C/C(=C\C(=O)OC[C@H](C)CBr)c1cccs1	856982212	CRGOECXDDXBCMR-ZFZMKPAXSA-N	303.221	3.726	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(Cl)c(OC)c1	863179833	RRJLDBMIGXDMPM-LCYFTJDESA-N	306.793	3.562	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1c(F)cc(F)cc1F	885153479	JVGARIJVXSSZBV-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
C[C@]1(C(=O)N2CCC[C@H](c3ccccc3)C2)C[C@H]1Br	908371666	DRTYVCGLOSFJQZ-LZWOXQAQSA-N	322.246	3.566	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@H]2CCCC[C@H]2C1	915931050	DWLHGTJQDRUJLD-CABCVRRESA-N	324.428	3.719	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccccc1-c1ccccc1	917516057	IOOZDRYVAAMTJI-BRFSQIRFSA-N	321.376	3.839	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(OCC(F)(F)F)cc1	920478926	GMYPTGSASLDQNG-JTQLQIEISA-N	316.323	3.514	50	20	DHGD	
O=C(NCC1CC1)NN=CC(c1ccccc1)c1ccccc1	920829026	LJZKXFUKTFUPML-UHFFFAOYSA-N	307.397	3.514	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@@H]1CCC[C@H]1c1ccccc1	1326479936	CCYVTYKOULMKJK-UONOGXRCSA-N	316.351	3.992	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)NNc1ncccc1Cl	91984324	VBLFOENUHHJEBM-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1ncc(-c2ccccc2)o1	121207712	WEQGHGHCICNALU-CYBMUJFWSA-N	322.368	3.729	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)c1nc2ccccc2n1C	121789640	OWBBIHXHOHVORS-QBFSEMIESA-N	319.364	3.655	50	20	DHGD	
CCO[C@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	130419974	GQDFFPRVMWRPPN-KBPBESRZSA-N	317.520	3.728	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc2cc(F)ccc2s1	172269356	FZZCMNLFWVQBDH-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CC(C)(C)C[C@@H](O)CNC(=O)CCCC[C@H]1CCSS1	172308067	AYPQJRBDAPOAAH-OLZOCXBDSA-N	319.536	3.614	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)c1ccccc1C	179013118	TXVIGQAMZPXBFB-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
COc1ccc2nc(NNC(=O)c3ccc(C)cc3)c(C)cc2c1	183172984	NZGRYWCBOIVZAD-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1[C@H]2CCC[C@H]21	252744911	OHMLWIABYLWMTF-VROVMSAKSA-N	303.164	3.622	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)/C=C\SCc1ccco1	255275493	UCQWSYGLTDSDMS-VURMDHGXSA-N	306.362	3.617	50	20	DHGD	
N#C/C(=C/c1cnc2ccccn12)C(=O)c1cc2ccccc2o1	255422321	PVJXVKXVGPYNCL-ZROIWOOFSA-N	313.316	3.870	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cccc(NC(C)=O)c1	293948497	ONHBYSGETUNCCK-HNNXBMFYSA-N	317.433	3.695	50	20	DHGD	
CCc1cnccc1[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490839153	CIYNFPUDHZTSIT-YDRQLGOLSA-N	323.371	3.567	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(F)c(F)c1F	732830532	OSSISUUWDQNGHS-GFCCVEGCSA-N	322.330	3.816	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)c3cc4c(s3)CCC4)c2c1	735610771	WUDJRUCSYQKKPF-UHFFFAOYSA-N	323.421	3.790	50	20	DHGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCC(C)(C)CC1	735972674	NOZWVDKAQDQEOE-OAHLLOKOSA-N	307.482	3.571	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cnc2ccsc2c1	748589366	YXHRDOFTYPCCEQ-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)Cc2cccnc2)C[C@@H](c2ccccc2)C1	749855116	COJYXOSXQVGLDJ-YJBOKZPZSA-N	321.424	3.700	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c2[nH]ncc12	751724869	FGDWYMVZYTZLEU-MDWZMJQESA-N	320.327	3.556	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	752475440	JROZEVSANCHYSA-RLWZJXEGSA-N	312.388	3.818	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	753306479	NTUHGCNBPCHQMH-PJXYFTJBSA-N	305.809	3.727	50	20	DHGD	
CC[C@@H]1CCCC1=NNC(=O)c1ccc(Br)s1	758372034	OLTOWBOUQSSKNJ-MRVPVSSYSA-N	315.236	3.807	50	20	DHGD	
Cc1cc(NC(=O)NNc2cnccn2)ccc1-c1ccccc1	762945766	CFAFOUAREKXCFR-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(C#N)c(C)c1)c1ccccc1	766451883	ZVLZQMJESHTKBX-SFHVURJKSA-N	305.381	3.511	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)NNc2ccccc2[N+](=O)[O-])c1	775672610	CFQNVMPSLKZJQC-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CCCN(c1ccc(Cl)cc1)S(=O)(=O)CCCCCl	780777365	NECYQURMTUUGJJ-UHFFFAOYSA-N	324.273	3.905	50	20	DHGD	
Cc1cc(Cl)c(C(=O)NNc2nc3ccccc3[nH]2)cc1C	781430645	DHEQMGFYRSMYGE-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	793481469	JPPRRDKXQADOCD-MAUKXSAKSA-N	304.434	3.544	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1cccc2cnccc12	802829031	JPQLCGFILUXDEI-UHFFFAOYSA-N	317.348	3.667	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(C(F)(F)F)ccc1F	808245432	DUDGQQCVMBNPGW-UHFFFAOYSA-N	318.097	3.720	50	20	DHGD	
CCCC(=NNC(=O)c1cc2c(s1)CCC2)c1cccnc1	814738695	JSUUEAWOVSZMGL-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)CSc1ccccc1O	814970842	GEXRVHFXNOPBIF-QWHCGFSZSA-N	320.458	3.803	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cnn(C(C)C)c1	815005147	SJANVWXIDGGIHY-UHFFFAOYSA-N	319.796	3.663	50	20	DHGD	
Cc1ccc2nc(C(=O)OC[C@H](C)CBr)ccc2c1	815394933	AKBNWGQQSAPXQD-LLVKDONJSA-N	322.202	3.731	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2ncccc2C(F)(F)F)CC[C@H]1C	825985026	VPSRJCXUHPPOIW-OUAUKWLOSA-N	315.339	3.616	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CCCCCCCC1	836923447	PLFPWZZGHRIDOX-UHFFFAOYSA-N	311.857	3.535	50	20	DHGD	
CC(C)[C@H]1N(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC12CCCC2	837193238	ZVURWCWJJBJXJB-QIPHDZALSA-N	324.424	3.726	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@H](C)c2nccs2)cc1	838551456	XTONGRIQQPQYMM-LBPRGKRZSA-N	318.446	3.696	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2nnc(C3CC3)o2)C1	852522651	NAMRSSXNFPODRO-ZDUSSCGKSA-N	323.513	3.543	50	20	DHGD	
O=C(NNc1ncc(Cl)cn1)c1ccc(C2CCCC2)cc1	857357692	AGPGFRHVMQUQBU-UHFFFAOYSA-N	316.792	3.545	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2ccc(F)cc2Cl)CCO1	885137427	XJVMPZOTPZJBRK-JQWIXIFHSA-N	314.788	3.518	50	20	DHGD	
CC(C)(C)n1cc(C=NNC(=O)c2ccc3ccccc3c2)cn1	917545232	PSGPDCWKYZXXIM-UHFFFAOYSA-N	320.396	3.555	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNC(=O)c1ccc2ccccc2c1	918622445	MWCUKCFBVNJELI-AWEZNQCLSA-N	312.413	3.817	50	20	DHGD	
C[C@@H]1CN(C(=O)C2CCC(Cl)CC2)C[C@@H](c2ccccc2)O1	1123511418	CFVFSNXZBGVCEN-MFNRNEDNSA-N	321.848	3.773	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2ccc3c(c2)CCC3)n1	1318777937	GYOYNEDTVBNIRB-DHDCSXOGSA-N	324.405	3.873	50	20	DHGD	
CC1(C)CN(C(=O)C2CCC(Cl)CC2)Cc2ccccc2O1	1347597299	SVROYXUREQDHHK-UHFFFAOYSA-N	321.848	3.984	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(Br)s1	57547692	HRVIPDMNPYVKJU-CLFYSBASSA-N	314.204	3.761	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C(C)(C)C1CCCC1)c1ccccc1	120258051	HYIWRVXXVMUSQK-INIZCTEOSA-N	316.445	3.544	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1	120437721	XQGYSWHFGWQAAP-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nc(C(F)(F)F)cs2)cc1	127026084	IRIGQSQSZSUUGC-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccccc2Br)C1	153529846	DRPSVDKSPWXCCB-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)c1c(F)cccc1F	163801918	UGDKEAZTKLANBG-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc([N+](=O)[O-])cc1Cl	170703044	VBECBXILSCBYLR-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(Cl)c(F)c2)c1C	175448620	RQRVJKXJPINITB-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
CCc1c(C)sc2nc(CSCCCCl)[nH]c(=O)c12	180967557	DAGAGNQLVLOJOY-UHFFFAOYSA-N	316.879	3.718	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)c1cnc2ccccc2n1	191356522	FZADJOSIQHOQAR-NTCAYCPXSA-N	323.359	3.880	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC1CCSCC1	194907337	YSPJLCKZVXUQJQ-LBPRGKRZSA-N	305.534	3.712	50	20	DHGD	
C[C@@]1(c2ccccc2)CN(/C(=C\C#N)c2ccccc2)CCO1	255566924	CQMGXFZRHIDPRJ-CBXNMNPBSA-N	304.393	3.799	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)[C@H]1CCCOC1	281003956	NTLPIMDOSXRGCT-DREKTBMASA-N	310.180	3.896	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2c(C)cccc2CC)CCO1	281694175	GIHRSFRXUSJROM-CVEARBPZSA-N	304.434	3.596	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)c2coc3ccc(C(C)C)cc23)n1	286528284	YLRXQRFOZYKFPH-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@]2(C#N)CC23CCCC3)cc1	296865009	VPQILSAVKXKVNJ-IBGZPJMESA-N	311.429	3.901	50	20	DHGD	
O=C(/C=C/c1ccc(O)cc1)NNc1cc(Cl)cc(Cl)c1	493384134	ILYYYHMGENYYPH-ZZXKWVIFSA-N	323.179	3.856	50	20	DHGD	
COC(=O)N(C)N=C1C[C@H](c2ccccc2)Oc2ccccc21	495746954	OTUZZUQPPXFQAC-QGZVFWFLSA-N	310.353	3.613	50	20	DHGD	
CC(C)c1cnc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)s1	588431038	SQWJQQVJDBGTLD-KPKJPENVSA-N	315.373	3.951	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1OC	588597350	IAAHKGPXDTVLEA-ZSOIEALJSA-N	311.312	3.633	50	20	DHGD	
CCC(=O)NN=C1CCCc2nc(-c3ccccc3F)sc21	731923533	QOSHGOIXNZGKMF-UHFFFAOYSA-N	317.389	3.516	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CCC[C@@H]1c1ccccc1	732532716	NVQDOZZXEYQWLR-QGZVFWFLSA-N	322.408	3.765	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1cccc(OCCCCCC)c1	747033129	DICJGGXXWHVUDA-GHRIWEEISA-N	312.413	3.855	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1n[nH]c2ccccc12	752811988	SFYBZDLDFWLIMO-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NNc1cccc([N+](=O)[O-])c1C	753655214	AXRKBNZRORTUMW-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)c1ccc(O)c(Cl)c1	755733940	KQBHJKMNKJJUIG-KGLIPLIRSA-N	314.772	3.565	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(Br)cc1)C(C)(C)C	762798072	YGWOCJWGFSGMSD-MDZDMXLPSA-N	311.223	3.885	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(C)cc1O	767032749	KFPZIARTFMHABC-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1ccc(F)cc1Cl	770404694	OEYZVLRTQFDCNJ-QMMMGPOBSA-N	323.589	3.596	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=S)Nc1cccc(C)c1	775782462	HIUCCNFDDPMHNW-AWEZNQCLSA-N	321.490	3.919	50	20	DHGD	
C#CCCCCCC(=O)NNc1ccccc1OC(F)(F)F	779208444	JJXQSXSSODMRMQ-UHFFFAOYSA-N	314.307	3.612	50	20	DHGD	
COCC(=NNC(=O)c1cccc2ccccc12)C1CCCC1	780226743	DKCRQNGYKDYBON-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(-c2ccccc2)cc1OC	781098464	APDKIQGWXRNSON-BOPFTXTBSA-N	307.349	3.832	50	20	DHGD	
C[C@@H](NC(=O)NN(C)c1ccccc1)c1cc2ccccc2o1	785583122	HSPBVBACFYWFHH-CYBMUJFWSA-N	309.369	3.844	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1c(F)cccc1OC(F)(F)F	789004274	RCUPEQZOFXVBNO-UHFFFAOYSA-N	320.286	3.611	50	20	DHGD	
CC[C@@H](C)c1ccccc1OCC(=O)NCCSSC	791114026	TXHFMKSFKBDNHG-GFCCVEGCSA-N	313.488	3.706	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1c[nH]c2c(CC)cccc12	797344338	WYZQOLSOWQTPIP-RVDMUPIBSA-N	309.413	3.944	50	20	DHGD	
CC(C)c1scnc1C(=O)NNc1c(F)cccc1Cl	811140178	QGPHERFMKPTLJO-UHFFFAOYSA-N	313.785	3.816	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCc2ccc(F)cc21	813443710	HZOPQYYVATZREZ-MOVXZBDNSA-N	324.330	3.675	50	20	DHGD	
CC[C@H](C=NNC(=O)CNc1ccccc1F)c1ccccc1	814713159	CNXARUXUUUWFRV-CQSZACIVSA-N	313.376	3.533	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2cccc(F)c2F)cc1	814997498	QYIKVBPGQMLNRN-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2cc(Cl)ccc2Cl)C1	815853270	DHQFOESINUKDDN-KOLCDFICSA-N	317.216	3.642	50	20	DHGD	
COc1cc(Cl)c(Cl)cc1C(=O)NCC(Cl)Cl	819793529	DXEQKIRLOVRVLU-UHFFFAOYSA-N	316.999	3.536	50	20	DHGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)[C@@H]1CCCC[C@@H]1C	834958333	LKUPXPLFRWEVAW-KBXCAEBGSA-N	324.428	3.804	50	20	DHGD	
CSC1(CNC(=O)NNc2ccc(C(C)C)cc2)CCC1	838573602	QHVVZMUNZBCXEH-UHFFFAOYSA-N	307.463	3.722	50	20	DHGD	
Cc1nn(C)cc1CN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844335634	HKGPFKNRPRMUMS-INIZCTEOSA-N	323.557	3.715	50	20	DHGD	
CC(C)c1noc(CN(C)CCO[Si](C)(C)C(C)(C)C)n1	844347149	QXVLHXPRQKBIGN-UHFFFAOYSA-N	313.518	3.647	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)NC[C@H]1CCCCC1(F)F	854098318	KVNZHPNWAFHOGG-LLVKDONJSA-N	315.339	3.586	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2cc(F)cc(Cl)c2)C1	855619932	HRSDQKWTAFNTBD-QMTHXVAHSA-N	314.788	3.518	50	20	DHGD	
CC[C@H](C(=O)NNc1nccnc1C(C)C)C1CCC(C)CC1	857496303	QDSLZAYKFLZBDF-NRXISQOPSA-N	318.465	3.896	50	20	DHGD	
Cc1ccc(CO[C@@H](C)C(=O)NNc2cc(C)ccc2C)cc1	860317768	GKRAUEHTOLJPPK-INIZCTEOSA-N	312.413	3.660	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2cc(C)n(C3CC3)c2C)c1	863156348	XJKWJHBQGIRHFA-UHFFFAOYSA-N	301.415	3.574	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2cc(C)cc(C)c2)c1	913484620	KUPOOHHNCRQGHH-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
COc1ccc(-c2nc(/C=C(\C#N)C(=O)C(C)C)cs2)cc1	915989956	HFMBIHWVOHLVMP-MDWZMJQESA-N	312.394	3.951	50	20	DHGD	
Cc1ccsc1C=NNC(=O)[C@H](C)Oc1cccc(C)c1C	916336650	LICOZWOXWJCSRX-AWEZNQCLSA-N	316.426	3.591	50	20	DHGD	
CCCOc1ccc(C(=O)NN=CC(CC)CC)cc1OC	916349020	UNFXBYFWMLHHGU-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)c1ccccc1Cl	1318657054	JAWGSIVAHJDALK-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
CCO/C=C(/C#N)c1nnc([C@@H](C)Oc2cccc(Cl)c2)o1	1348930560	JIWMWZVKAZKPTM-QLWWJYNRSA-N	319.748	3.764	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)/C(C#N)=C/c2c[nH]c(C(=O)O)c2)cc1	1603534424	UPHMSMSWPLTDOF-RIYZIHGNSA-N	322.364	3.800	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1OC	7211025	WSAPWZPMDWCJFJ-XNTDXEJSSA-N	307.349	3.802	50	20	DHGD	
N#C/C(C(=O)CCl)=C1/NC(c2ccc(Cl)cc2)=CS1	100404752	YZCXIYAHZLLOAP-JLHYYAGUSA-N	311.193	3.518	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)c(C)c1	121926742	NSWJWXJWJPXEHS-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
C[C@@H]1CC(NC(=O)CCCC[C@@H]2CCSS2)C[C@@H](C)O1	127211052	CBUYWLOKCKWVSW-YRGRVCCFSA-N	317.520	3.773	50	20	DHGD	
CO[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1)c1ccccc1	153747557	QKYXGMGCXIUXQZ-CQSZACIVSA-N	324.302	3.536	50	20	DHGD	
CC(C)(C(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	155829187	AREMZFHTUGJTPX-UHFFFAOYSA-N	308.303	3.525	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2ccc3c(c2)CCN3C)ccc1[N+](=O)[O-]	180571903	XABLKJUEJJUYNX-GZTJUZNOSA-N	319.364	3.960	50	20	DHGD	
N#CC(C#N)=CN[C@@H]1CCCc2sc(-c3ccc(F)cc3)nc21	184744066	HAUJFNVWIBHHAH-CQSZACIVSA-N	324.384	3.847	50	20	DHGD	
N#C/C(=C/c1cccc2nccn12)C(=O)Nc1ccc(Cl)cc1	255505057	JYXGZUVPLOFANE-BENRWUELSA-N	322.755	3.533	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	727777209	LJHOKYSERXTLOT-HIFRSBDPSA-N	318.417	3.557	50	20	DHGD	
Cc1c(NNC(=O)N[C@@H](C)CCCC(C)C)cccc1[N+](=O)[O-]	728126254	TVNOUPAQEMNPKQ-LBPRGKRZSA-N	322.409	3.744	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccc(F)cc2)c1)C(=O)c1ccccc1	728176334	SVCATGPKAODMTK-MHWRWJLKSA-N	317.323	3.801	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)CCc1ccccc1O	729934333	GDNWJKOVHYUXOF-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1C	731155168	BGHRMMBHSRHQQZ-YBEGLDIGSA-N	320.348	3.547	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	731175343	SWOQLGWEBZCBFG-UHFFFAOYSA-N	318.461	3.862	50	20	DHGD	
N#CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	732577274	VTDIMBPMMBPSMO-KAMYIIQDSA-N	306.296	3.518	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1cccc(Cl)c1Cl	734977251	KRWDBAAGANXLRW-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)COCc1ccccc1	737434010	MTRRHRAGQOLOQW-AQBHWCKDSA-N	314.429	3.998	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C(CC)C2CC2)cc1OC	741162148	WBDBFNDWYJKWAK-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1cc(F)c(F)c(F)c1	746706919	OYFKJXFVNPGWEU-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	752811840	CCUJUMMLJMMMOK-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
Cc1cccc(C)c1/C=C(/C#N)C(=O)c1ccc2c(c1)OCO2	755587283	GLSZAPOYRFQPDE-NVNXTCNLSA-N	305.333	3.822	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2[C@H](C)CC[C@H]2C)c1C	757792602	BHBNLCUCINPPDT-GXZKMCQRSA-N	313.445	3.821	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2cccc(C(F)(F)F)c2)C1	759195834	IUNKOEKEACRATQ-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=Cc3cccs3)n[nH]2)c1	764790959	WWKIAHZQFGPOCT-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2cccc3c2CCCC3)cc1	775435111	QYFSJZVESNEXNT-UHFFFAOYSA-N	306.369	3.586	50	20	DHGD	
C[C@H](C(=O)NNc1ccccn1)c1ccc(Cl)c(Cl)c1	777469061	QBNMCYORDYPULD-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1ccc2c(c1)OCO2	779758240	RGUGYELRGWBUJY-LBPRGKRZSA-N	304.390	3.593	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc2[nH]ccc2c1	781069205	UWGONGXQBUVSGU-LBPRGKRZSA-N	309.207	3.916	50	20	DHGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)c1ccc(Cl)nc1	783514956	WLFXVSRIQSYYGN-VIFPVBQESA-N	319.714	3.573	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc(OC(F)F)cc1	786676444	SBGXLHIUOGHGAJ-SEEODLKFSA-N	307.296	3.752	50	20	DHGD	
CCc1c(C(=O)NNc2cccc(F)c2)cnn1C(CC)CC	790804301	MQRVKFHEXPRGDQ-UHFFFAOYSA-N	318.396	3.703	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](c2ccccc2)[C@H](C)C1	790880117	HFIMRYULMUCYPL-UKRRQHHQSA-N	324.515	3.833	50	20	DHGD	
CCCCC=NNC(=O)COc1ccc(Cl)cc1Cl	793095223	RTCDIKDKVTXJKE-UHFFFAOYSA-N	303.189	3.664	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H](F)CC2CCCCC2)cc1Cl	793806820	ZIWDJBUNUJRBOW-HNNXBMFYSA-N	323.799	3.963	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1C	798142071	LIBDMSFEKOQTNE-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(C2CCC2)c1	799102921	WGLJWBFAFSTLBY-UHFFFAOYSA-N	306.369	3.587	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(C(F)(F)F)s1	803116373	KFHXGHVARWEGMK-UHFFFAOYSA-N	318.295	3.971	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)Cc1nc(-c2ccccc2)cs1	807961023	YPIFJLDNPLIXKO-GFCCVEGCSA-N	313.426	3.645	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)c1cccc(OC(F)F)c1	814835941	FTZJPLKOJUYVEA-UHFFFAOYSA-N	316.373	3.535	50	20	DHGD	
CC(C)(C(=O)NNc1cc(Cl)nc(Cl)c1)C1CCC1	819748165	XJILSBURXREFHG-UHFFFAOYSA-N	302.205	3.658	50	20	DHGD	
COc1cc(OC)cc(C(=O)NNc2ccc(C(C)C)cc2)c1	837057952	IPIFWZPIGGWLSH-UHFFFAOYSA-N	314.385	3.584	50	20	DHGD	
CCN(CC)c1ccc(-c2nnc(SC/C=C/C#N)o2)cc1	840051607	CEHXYJMNKBQWJC-AATRIKPKSA-N	314.414	3.755	50	20	DHGD	
CC[C@@H](C)Sc1ccc(NC(=O)NN)c(C(F)(F)F)c1	841094332	XSDKNHSSHOBTBR-SSDOTTSWSA-N	307.341	3.591	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C(C)(C)C1CCC(O)CC1	841437623	AITFEYBOOIYSQK-UHFFFAOYSA-N	324.852	3.669	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CC2CCOCC2)C1	844337679	TYCKHGHGYHFNST-MRXNPFEDSA-N	313.558	3.899	50	20	DHGD	
C#CC1CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1	853302219	HJDZCXYWSHOVAY-UHFFFAOYSA-N	309.196	3.903	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccnc(Cl)c2)o1	855469727	PWDBJDBGRGEKNT-GXFFZTMASA-N	319.792	3.527	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccc(C3CC3)cc2)C[C@H]1Br	856852774	BWSSUBZEZWZBSL-HIFRSBDPSA-N	323.234	3.859	50	20	DHGD	
CSCC1CCC(NC[C@]2(C)C[C@@H]2Br)CC1	857064389	TUKMJOWHDMXTAR-TYUFSLCMSA-N	306.313	3.671	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(F)c(Cl)c2)CCO1	863081166	AFFIBIWEWZSZKH-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc(Cl)cc2)cc1	865988987	JZSIEYVMBSERIN-UHFFFAOYSA-N	306.818	3.884	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1C)c1cccc(C)c1	916358083	BKLSDRQREQSMKM-UHFFFAOYSA-N	309.413	3.564	50	20	DHGD	
CC(C)(C)C1CCC(=NNC(=O)c2cccc(C(=O)O)c2)CC1	1776094999	YLZWQNPPYSLKTA-UHFFFAOYSA-N	316.401	3.707	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C/C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	1776131120	IFHYNEKLZSYHEU-JLLAUFTHSA-N	320.304	3.757	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccccc1OCc1ccccn1	44027105	JIIHTCFWVULTBM-WJDWOHSUSA-N	306.365	3.793	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)C)cc1OCCCC#N	64367481	BNQXPCQLMGALIA-GDNBJRDFSA-N	312.369	3.510	50	20	DHGD	
N#Cc1cccc(NNC(=O)CCCC[C@@H]2CCSS2)c1	152504614	BXVYUGDFYUDMPV-CQSZACIVSA-N	321.471	3.715	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1cccc2c1CCCC2	163813138	MQCGQEBLOICAKA-UHFFFAOYSA-N	316.445	3.938	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	171157755	XPFURHYPBKVSHO-UXBLZVDNSA-N	315.678	3.995	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(Cl)ccc1F	172089911	RLADSVMNKXHDKQ-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)ccc2N2CCCC2)c1	175230440	KOODTMTUXAJNKO-UHFFFAOYSA-N	309.413	3.661	50	20	DHGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)Nc1nccs1	176952423	CSRJGOPLYRJXKF-FLIBITNWSA-N	311.391	3.903	50	20	DHGD	
CC[C@H](C)Oc1cc(C(=O)NNc2cc(C)cc(C)c2)ccn1	180786119	WNDABNURQHEXEQ-AWEZNQCLSA-N	313.401	3.633	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccccc2OC(F)(F)F)cc1	190205256	AVXPMUYWONIRAM-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cc(C#N)n(C)c2)c1C	190240706	RVQOKNCMGPMART-PXNMLYILSA-N	320.396	3.515	50	20	DHGD	
CCCCCCOc1ccc(/C=C(\C#N)S(=O)(=O)CC)cc1	191770620	PBESAGREQWSZMR-GHRIWEEISA-N	321.442	3.945	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1csc(Br)c1	212910574	XRHOMDPDMGSCOD-BJMVGYQFSA-N	314.204	3.761	50	20	DHGD	
CC1(C)[C@H](NCc2ccc(OCCCCl)cc2)[C@H]2CCO[C@H]21	368227050	NGSSACBHFLPQQQ-BRWVUGGUSA-N	323.864	3.597	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	490664205	PCNGLTAXOTVBHG-ZROIWOOFSA-N	311.410	3.552	50	20	DHGD	
Cc1ccc(C)c(NC(=S)NNC(=O)C[C@@H](C)CC(C)C)c1	727864355	HPQATCLGFNLGBL-ZDUSSCGKSA-N	321.490	3.693	50	20	DHGD	
CCCCCC[C@@H]1CCCC1=NNC(=O)Cn1nc(C)cc1C	728157463	WSYPLEVJTXLOKQ-MRXNPFEDSA-N	318.465	3.743	50	20	DHGD	
CC(C)Oc1ccc(C=NNC(=O)C(C)(C)c2ccccc2)cc1	731150328	GBGLVPRBRULMDG-UHFFFAOYSA-N	324.424	3.902	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)[C@H](CC)c1ccccc1	735249350	XYEHAKDKGPNWDZ-NVXWUHKLSA-N	318.461	3.934	50	20	DHGD	
CCCc1ccc(-c2ccc(NC(=O)NNC(=O)O)cc2)cc1	737044848	IFQCMRHUKJVSEG-UHFFFAOYSA-N	313.357	3.610	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OCCF)c(C)n1CCC(C)C	739322172	YUPLWYKHQLXZAF-MHWRWJLKSA-N	306.381	3.571	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1nccc2ccccc12	740765113	QDKPEUVUZRTRJM-DTQAZKPQSA-N	307.397	3.838	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@H](OCC(F)(F)F)C1	750800390	SQVXKHSMYYVBJP-QVTJDRNWSA-N	310.319	3.594	50	20	DHGD	
Cc1ccc2c(c1)CC[C@H]2NC(=O)/C(C#N)=C\c1ccc(F)cc1	751456858	WSQQHXYDLHDGLN-JVCXIRSZSA-N	320.367	3.845	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNC(=O)c1ccc2ccccc2c1	753294003	BBTBLSCAIVBKJE-UHFFFAOYSA-N	312.413	3.673	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2ccc(F)cc21	764322936	LBURKYPWXOMDQK-FRKPEAEDSA-N	309.300	3.661	50	20	DHGD	
CC[C@@H](C)[C@@H](NC(=O)NNc1c(C)cccc1F)C(F)(F)F	772533108	SGZJPYREWPWWEU-PRHODGIISA-N	321.318	3.737	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNC(=O)c1ccc(Cl)cc1Cl	780853557	BPRHWAKHIQVSHD-HJWRWDBZSA-N	315.200	3.501	50	20	DHGD	
CC1(C(=O)NNc2ccc(Br)cc2)CCCCC1	780948502	JRMFJSLYHQDDME-UHFFFAOYSA-N	311.223	3.863	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790590487	BJNPQDSCUSAZGK-NSHDSACASA-N	311.357	3.784	50	20	DHGD	
N#C/C(=C\c1ccnn1-c1ccc(F)cc1)C(=O)c1ccsc1	794874786	JMQKYOCRRPISEM-UKTHLTGXSA-N	323.352	3.863	50	20	DHGD	
COC(=O)N(C)N=Cc1cc(C)n(-c2ccc(Cl)cc2)c1C	794955707	AEAKEFVFOTWDKJ-UHFFFAOYSA-N	319.792	3.780	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C#N)ccc2Cl)c(C)c1	802828625	CEAADVPZDOGBKU-UHFFFAOYSA-N	313.788	3.894	50	20	DHGD	
CSSCCNc1ccc([N+](=O)[O-])cc1OC(F)F	804700209	UQCGASMASINHOJ-UHFFFAOYSA-N	310.347	3.619	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3cccc(F)n3)sc12	811526061	PIJKKHFSCHJNOM-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
O=C(/C=C\c1ccc(OCCCCl)cc1)c1ccncc1	811684927	FGHRNZIHUCFFQO-DAXSKMNVSA-N	301.773	3.985	50	20	DHGD	
CC(C)Oc1ccccc1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812242382	PTKURCJLXJOUMV-ZROIWOOFSA-N	309.325	3.841	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)[C@H](C)CCCCC(=O)O)cc1	814744929	CWWLDXFTSFEHEQ-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CC[C@H](c2ccccc2)C1	814823010	NXAQWSMIDDUDFC-KRWDZBQOSA-N	322.408	3.895	50	20	DHGD	
O=C(NN=Cc1ccc2oncc2c1)c1cccc2ccccc12	814854741	VZCFRQGUFKBUMX-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccccc2OC(C)C)cc1	817921362	UBWHMXJVDOOGON-UHFFFAOYSA-N	314.385	3.629	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@H]2C(=O)NNC(=O)CC1CC1	819136173	OPGHTRLDDVOYAH-HVEKOLDVSA-N	320.477	3.567	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1ccc(C(F)(F)F)cn1	828828089	FKGVJUVYXUXEEQ-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
Cc1cc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)nc(C)n1	852524508	UOLJEJDPVGTWBV-INIZCTEOSA-N	321.541	3.690	50	20	DHGD	
O=C(C[C@H]1C=CCC1)NNc1nc2ccc(Cl)cc2s1	856233790	APGOYBLNHADWBP-VIFPVBQESA-N	307.806	3.749	50	20	DHGD	
C[C@]1(CNC(=O)CC/C=C/c2ccccc2)C[C@@H]1Br	857400402	ZHCKYTSLVDRKNO-YORMDBTCSA-N	322.246	3.770	50	20	DHGD	
Cc1cccc(OCCCC(=O)NNc2cc(C)ccc2C)c1	857831159	WPUYSNWRJCVIAG-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cn(CC)nc2C)cc1	899337770	IXYBARFGQPTPNH-GZTJUZNOSA-N	307.397	3.954	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CC(C)C)c1C	914527860	LCSPWSTYOFAYHH-WOJGMQOQSA-N	315.461	3.926	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@@H]2CCCC[C@@H]2C1	915931053	DWLHGTJQDRUJLD-LSDHHAIUSA-N	324.428	3.719	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)c2cc(-c3ccccc3)on2)c1	921257668	NGDBTFSZTNJNCS-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
O=C(N[C@@H]1CCO[C@H]1c1ccccc1)c1cccc(CCl)c1	1302413095	FRPXOPZDICUXJA-SJORKVTESA-N	315.800	3.685	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)c1ccc(F)cc1F	1319603134	FPTWYEGISXPUGM-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
CC(=O)Nc1cc(NC(=O)C2CCC(Cl)CC2)ccc1F	1346257322	XJKKACIESSGNAI-UHFFFAOYSA-N	312.772	3.520	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)CC2CCCC2)cc1	58293975	FTXSIRLNEFEBHH-ATVHPVEESA-N	312.413	3.641	50	20	DHGD	
CC(C)CCN(C1CCCC1)S(=O)(=O)CCCCCl	94853812	FNLFZNQBTSBCFS-UHFFFAOYSA-N	309.903	3.626	50	20	DHGD	
CC(C)(Oc1ccc(F)cc1)C(=O)NNc1ccccc1Cl	120115814	POBYBQSFJCZLDY-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
C[C@H](CCC(=O)NNc1ccccc1[N+](=O)[O-])c1ccccc1	129047648	ZRPYEVQQBRDJOS-CYBMUJFWSA-N	313.357	3.622	50	20	DHGD	
CC[C@H](CC(=O)NNc1nc(C(F)(F)F)cs1)C(C)C	152925873	WEYZIIDIYDDBIA-MRVPVSSYSA-N	309.357	3.677	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)s1	153629251	NZWIXYJQWHGSKB-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(\C#N)C(=O)NC2CCCCC2)s1	172521812	LMJBOFPOMBQAFA-FMIVXFBMSA-N	317.458	3.796	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ccc(Cl)c(F)c1	175446949	OHBYOXOWIPJGEH-CQSZACIVSA-N	314.788	3.660	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1cccc(O)c1	175504371	PWLUUZVPOIRALN-SECBINFHSA-N	323.755	3.572	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)c1cc(C)on1	175635122	CTIIRPLVLNHAAN-UHFFFAOYSA-N	315.398	3.933	50	20	DHGD	
CS[C@H](C(=O)NNc1ccccc1Cl)c1ccccc1	178978306	VIUOMWTVFPXKAJ-AWEZNQCLSA-N	306.818	3.887	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)c1c[nH]c2cc(F)ccc12	179177564	NMYQWJSTVLAFTD-VZUCSPMQSA-N	324.286	3.942	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1	181151427	ICBGCJMBEMPVMN-UHFFFAOYSA-N	310.397	3.944	50	20	DHGD	
Cc1cnc([C@@H](C)CNC(=O)NNc2ccccc2Cl)s1	183208041	YWBMSAHUAPJKKP-VIFPVBQESA-N	324.837	3.535	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1	255856087	YAFWPQVLFYRZDH-BOPFTXTBSA-N	306.365	3.687	50	20	DHGD	
CC(C)C[C@@H](C)OC(=O)Oc1ccc([N+](=O)[O-])c(F)c1F	295196483	BHJAVSUKBRCQHB-MRVPVSSYSA-N	303.261	3.823	50	20	DHGD	
CCC(=NNC(=O)c1ccc[nH]1)c1ccc(Cl)cc1Cl	725854677	VSSXHRBANWRURR-UHFFFAOYSA-N	310.184	3.866	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCC(C)(C)CC2)cc1	726957586	SOUQDPRSJCEVHK-DTQAZKPQSA-N	312.413	3.641	50	20	DHGD	
CC[C@H](CC(=O)NNc1cnnc2ccccc12)c1ccccc1	733810541	ORQJVZMXLSNJTR-CQSZACIVSA-N	320.396	3.657	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2c(F)cccc2F)s1	735757264	LAWNGXQVBAUBHH-SECBINFHSA-N	311.357	3.722	50	20	DHGD	
C[C@@H](CNC(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	746744868	WIIHKDDGWBBPNH-JTQLQIEISA-N	323.318	3.534	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCc1cccc(F)n1	748199985	DEOBPGVYCKOTET-GFCCVEGCSA-N	314.451	3.551	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1cc2ccccc2o1	749823482	LBLCIYRRVUMRRJ-QPSCCSFWSA-N	308.381	3.975	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cncn2)cc1)c1ccc2ccccc2n1	750911786	AHUPBLUDZHMNJG-GZTJUZNOSA-N	323.359	3.880	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(F)cc1C	750932588	PCYIJDDTHFHXOL-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)CC2CCCC2)cc1	752727679	QJFQPIMESNVKNF-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC=C(C)CC2)c1C	756043796	BOMBNGUWPNACPK-PDGQHHTCSA-N	311.429	3.601	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC(C)(C)C[C@H]2C)o1	766012906	KTONKUPFGQGLLK-CYBMUJFWSA-N	319.449	3.663	50	20	DHGD	
COc1ccc(NNC(=O)C[C@@H](C)CC(C)(C)C)c([N+](=O)[O-])c1	768332289	SGKFGQBCMKVYHQ-LLVKDONJSA-N	323.393	3.509	50	20	DHGD	
Cc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@H]2Br)C3)c(C)n1	769978931	SPSZCVYTDCUMLN-NJZAAPMLSA-N	323.234	3.591	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2F)c1C	772807096	PFYUBHHOJBYTLX-SXGWCWSVSA-N	319.339	3.860	50	20	DHGD	
CCc1cccc(NC(=O)NNc2ccc3ccccc3n2)c1	775432807	NYDJFGSBEIWBOJ-UHFFFAOYSA-N	306.369	3.946	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)[C@@H]1CCCOC1	779760997	FVLIOOSQRFESNN-CQSZACIVSA-N	320.458	3.549	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccc2c(c1)OCCO2	779768949	PFKAWWQSPFCMEU-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2sccc2Cl)c1	780375388	WAUQDIYKULTVPW-MDWZMJQESA-N	316.813	3.933	50	20	DHGD	
C[C@H](Oc1ccccc1)C(=O)NNc1ccc(C(C)(C)C)cc1	780803215	BVBUUHCALXBRLP-AWEZNQCLSA-N	312.413	3.895	50	20	DHGD	
CCSCC[C@H](C)N(C)C(=O)[C@H](Br)C(C)(C)C	781095881	BTODSDRMISDWHY-QWRGUYRKSA-N	324.328	3.786	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1cc2ccccc2o1	790827589	DXQAVGXJTNMFJC-SNVBAGLBSA-N	310.444	3.804	50	20	DHGD	
CC[C@@H](CC(=O)NCCSSC)c1ccc(OC)cc1	791113607	KLHBMKWMDODAGV-LBPRGKRZSA-N	313.488	3.706	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc3occc3c2)c1	794687015	DVUUMYHZMVQWMR-GDNBJRDFSA-N	318.332	3.987	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C[C@@H](C)c1ccccc1	794785253	KRCKLOFTBIUCCT-GFCCVEGCSA-N	316.788	3.868	50	20	DHGD	
O=C(NC[C@H]1CCC(F)(F)C1)NNc1ccc(Cl)c(F)c1	797554776	YKLGLLITIXLZDX-QMMMGPOBSA-N	321.730	3.541	50	20	DHGD	
Cc1cccc(Oc2ccccc2C(=O)NNc2ccccn2)c1	799717505	HVIKJYRXHRQZEC-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2nccnc2C2CCC2)cc1	805467213	PIRCHBKRLNZRJA-ZDUSSCGKSA-N	324.428	3.553	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1Cc2ccncc2C1	816580294	ADTKSDKSJWUMJR-AWEZNQCLSA-N	308.472	3.638	50	20	DHGD	
COC1(CCNC(=O)CCCC[C@@H]2CCSS2)CCC1	818007297	JAGBRZGSHNUBAX-CYBMUJFWSA-N	317.520	3.776	50	20	DHGD	
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)NN(C)C1CC1	819644007	XWGZVJBHBYJMOF-UHFFFAOYSA-N	321.833	3.511	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ncc(Cl)cc1Cl	829748633	SVMJRTVPTOMCIQ-SDBXPKJASA-N	302.205	3.658	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@H]1[C@@H]1CCC[C@H]1O	831167063	YQUCYTPAKOLFGW-ARFHVFGLSA-N	313.558	3.634	50	20	DHGD	
C[C@@H]1COCC[C@H]1OC(=O)CCCC[C@H]1CCSS1	835784908	OFGZIFWDPWYTGI-FRRDWIJNSA-N	304.477	3.669	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2ccccc2C(C)C)cc1	848402763	HALPUCYWECGUEJ-UHFFFAOYSA-N	324.424	3.902	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(F)c1OC(F)F	849176534	POHOYGTWDXAXKV-DHZHZOJOSA-N	313.275	3.677	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(N(C)C)cc1	851950400	ONJLNHJFGZYBJZ-TUKIKUTGSA-N	311.267	3.577	50	20	DHGD	
Cc1c(-c2ccc(OCCCCSC#N)cc2)cnn1C	904795012	MIIVPKYVOQAABO-UHFFFAOYSA-N	301.415	3.769	50	20	DHGD	
CNC(=O)NN=Cc1c2ccccc2c(Cl)c2ccccc12	920379572	YTGBCJVVUVFJIK-UHFFFAOYSA-N	311.772	3.909	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1ccn(C(C)C)n1	931244871	ZUTKAGGYCMFDIU-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CC[C@H](NC(=O)c1cccc(CCl)c1)[C@H](O)c1ccccc1	1262638195	QPVXEQCQGUMPJX-DLBZAZTESA-N	317.816	3.667	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2ccc(C)c(Cl)c2)cc1	1319654202	BJCFATOZKOKDQH-UHFFFAOYSA-N	316.788	3.998	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)C1C[C@H]2CCC[C@H](C1)C2	1320947865	OTWXOBZHIQORJZ-UWVGGRQHSA-N	312.335	3.763	50	20	DHGD	
CC[C@@H](C)C(=O)NNC(=O)Nc1ccc(C)c(Cl)c1Cl	1323844010	HIXZCMJPXRRRLX-SSDOTTSWSA-N	318.204	3.501	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)c1ccc([N+](=O)[O-])c(C)c1	1324873387	ZXDMUVVEUJHKFW-ZSOIEALJSA-N	310.309	3.682	50	20	DHGD	
O=C(O)c1ccc(C(=O)NN=C2CCCC23CCCCC3)cc1	1776100471	JFMJFXQDTNVRDW-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(OCCC(C)C)cc1	23724349	SFFMCRSGCIQIDX-GHRIWEEISA-N	314.429	3.935	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cc(Cl)ccc2OC(C)C)c1	88424538	KGOHYUANMRSGRZ-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
O=C(NCC1(Sc2ccccc2)CC1)NNc1ccccc1	114964508	BVCZJSWPSOFNQQ-UHFFFAOYSA-N	313.426	3.638	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ccncc1Cl)c1ccccc1	124091947	GXEGKBCRJCQVNM-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3ccccc3F)on2)cc1	153185056	FNJNJLOBVJAYOV-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CCCCCC(=O)NNc1ccc(F)cc1Br	153876914	ADVORTPTLZKPRR-UHFFFAOYSA-N	303.175	3.612	50	20	DHGD	
CCCOc1cccc(CC(=O)NNc2ccccc2Cl)c1	158416052	SEDBZYKYXFGMMV-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](C)Cc2cccc(F)c2)c1	159289244	GRVQTNIPFCAVBN-AWEZNQCLSA-N	300.377	3.764	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2cccc3c2CCCC3)cc1	163221119	GHEFTBLWCCNDQJ-UHFFFAOYSA-N	323.396	3.917	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1ccccc1	178099651	IGEPQFNFGXBDCF-AWEZNQCLSA-N	304.777	3.641	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc(F)cc1Cl	178482216	CNAFRGUTBUIDRR-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(C)cccc1F)c1nc(C)cs1	185356936	MRRJCCVEAVKRSU-LBPRGKRZSA-N	322.409	3.676	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1nc(-c2ccc(C)cc2)cs1	215243968	UHXDISFIGIOJSE-LCYFTJDESA-N	313.382	3.501	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(C)cc2)cc1	254926108	FGICSRDXTTYYFE-BRFSQIRFSA-N	320.392	3.788	50	20	DHGD	
CC(C)[C@H]1C[C@H](CC(=O)NNc2ccc(Cl)cc2)CCO1	272918705	STDULSWUCVYYQV-IUODEOHRSA-N	310.825	3.624	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)NC1CCSCC1	276639153	XBLYESMSLGXHQB-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1nc(C2CC2)c[nH]1	289406855	QUZUEEPULUFIFK-LLVKDONJSA-N	311.476	3.940	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1csc(C(C)=O)c1	293721220	VOMPRTRZGJJWKP-UHFFFAOYSA-N	302.399	3.578	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(COC)o2)cc1	490724663	ANKSQKYNJNSCSF-UVTDQMKNSA-N	310.353	3.534	50	20	DHGD	
CC(=O)NN=C(C)c1sc(-c2ccc(Cl)cc2)nc1C	727650570	MVWUUJGDUIZNQU-UHFFFAOYSA-N	307.806	3.632	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cnnc2ccccc12	735331749	PVUULOCEEHPBHS-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
C=C(Cl)CNC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	736246791	MDOBPAXJPHHJFM-APSNUPSMSA-N	319.836	3.537	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2ncccc2C(F)(F)F)C1	740096894	HSDRHZHQGXUOHV-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
CCCCCC[C@@](C)(CCC)C(=O)NNC(=O)c1ccccn1	742462532	GEFUGFVCSVOUQW-GOSISDBHSA-N	319.449	3.619	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(Oc2cnccn2)cc1	743055581	GGLBXGBCBNJNGC-NWFCWYBLSA-N	307.353	3.791	50	20	DHGD	
O=C(CCOc1ccccc1)NN=Cc1cccc2ccccc12	747059503	RLQCFHSCTNJQFF-UHFFFAOYSA-N	318.376	3.759	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2ccccc2Cl)cc1	748332854	PLNPZDNNAHQRJA-UHFFFAOYSA-N	302.761	3.690	50	20	DHGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C1(C)C	748650595	OPMJGNBMDDCXDE-KGLIPLIRSA-N	324.371	3.970	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)c1cc2ccccc2o1)CC(C)(C)C	749476478	LYPPBMUVFBGMPZ-LBPRGKRZSA-N	316.401	3.656	50	20	DHGD	
CCC(=NNC(=O)CNc1ccc(C)cc1)C1CCCCC1	750918091	CVIGRMCPBWXJSD-UHFFFAOYSA-N	301.434	3.869	50	20	DHGD	
COc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752811374	LYWZPQZZEUGSRM-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C#N)c(Cl)c2)C1	753316945	HWTKYZSUQNDODD-NWDGAFQWSA-N	305.809	3.871	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H](c1ccccc1)C1CC1	765873372	BRDKWKRNBBGCPB-HNNXBMFYSA-N	302.324	3.602	50	20	DHGD	
O=C(NN=Cc1cncs1)c1cc2c(s1)CCCCCC2	767759777	URHSELQYEYMCQW-UHFFFAOYSA-N	319.455	3.628	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cc(O)ccc3[N+](=O)[O-])[nH]c12	772809232	XOMKHYIKBQCLBH-KPKJPENVSA-N	320.308	3.549	50	20	DHGD	
C[C@@H]1CC(C(=O)NNc2ncc(Cl)cc2Cl)C[C@@H](C)C1	775266441	VFKHCKZXCGLNJS-IUCAKERBSA-N	316.232	3.904	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc3ccccc3n2)ccc1F	775600216	CTKBLRTZLHBYDB-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CCOc1cc(Cl)ccc1C(=O)NN(C)c1ccccc1	779175061	FZYBZRPZZCKEBU-UHFFFAOYSA-N	304.777	3.520	50	20	DHGD	
CCSCC[C@@H](C)N(C)C(=O)[C@H](Br)C(C)(C)C	781095880	BTODSDRMISDWHY-MNOVXSKESA-N	324.328	3.786	50	20	DHGD	
CSc1ccccc1CC(C)=NNC(=O)c1ccc(C)o1	782906960	PMGYLJYCWKVRRA-UHFFFAOYSA-N	302.399	3.658	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccc(C#N)cc1	785361267	HQMOEDSKPAIVAN-JVVDOCDTSA-N	302.333	3.770	50	20	DHGD	
Cc1cc(OC(=O)c2nc(C(C)C)oc2C)ccc1[N+](=O)[O-]	796810204	JHOJGETZCKAPQQ-UHFFFAOYSA-N	304.302	3.542	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)[C@H](C)C1	799760005	BAVLIXDMGUOMGW-MGPQQGTHSA-N	317.520	3.726	50	20	DHGD	
O=C(Cc1ccc(Cl)s1)NNc1cccc(Cl)c1	801114817	KNCASYGUTHXOQX-UHFFFAOYSA-N	301.198	3.741	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1cccc(F)n1	804771572	DMSVZUZBXZLQAN-CHWSQXEVSA-N	313.376	3.653	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1cc(Cl)ccc1Cl	815853829	CJGBNWAIERGWIY-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)C2=C(c3ccccc3)CCCC2)n1	822341765	JEWDKPSQZUEBBP-UHFFFAOYSA-N	322.412	3.564	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)C1CC(c2ccc(F)cc2)C1	826530822	PVSIBQDKTFCLQU-UHFFFAOYSA-N	319.767	3.511	50	20	DHGD	
CCC[C@@H](CNC(=O)CCCC[C@@H]1CCSS1)OC	833372314	QDQHTGMRPZNELX-QWHCGFSZSA-N	305.509	3.632	50	20	DHGD	
COc1cc(C)ccc1/C=C(\C#N)C(=O)N(C)C1CCCCC1	834425119	IHWBCDXVLIXQHN-FOWTUZBSSA-N	312.413	3.702	50	20	DHGD	
NC[C@H]1CC[C@H](CNCc2ccc(OCCCCl)cc2)CC1	841081427	BJLMRMHFUAPCAL-WKILWMFISA-N	324.896	3.549	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCc2ccc(F)cc2)c1	847600589	SSGNGDYNGCWETI-UHFFFAOYSA-N	300.377	3.909	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(OCc2ccccc2)cc1	864731120	ZIZNZECTDMUZQG-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
N#C/C(=C\c1c[nH]c2ccc(C(=O)O)cc12)C(=O)C1CCCCC1	899363313	BAEAABCQVAJCDJ-RIYZIHGNSA-N	322.364	3.922	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ccc(C#N)cn2)cc1	899661890	IUBHJSSXBIUKIP-CQSZACIVSA-N	322.412	3.714	50	20	DHGD	
N#C/C(=C/C=C\c1cccc(F)c1)c1nnc2n1CCCCC2	901419279	YCJNECKBDLEFJG-NNTVZKKGSA-N	308.360	3.764	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCCCCCC2)cc1	916650297	BADNKVHLDBXFIX-VKAVYKQESA-N	312.413	3.785	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	917214282	JSPHZZROHQHQDH-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2ccc(Cl)c(C)c2)CCO1	928339971	OEEVQVXFVUEEPO-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cnc1Cl	1319640766	PQRIRXRRXRVCAX-KPKJPENVSA-N	321.771	3.633	50	20	DHGD	
CSSCCNC(=O)N1Cc2ccccc2C2(CCC2)C1	1323069850	CTISGMLKMPSNFR-UHFFFAOYSA-N	322.499	3.645	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(Cc2ccc3ccccc3c2)o1	1327885424	QOZVXYRSNLODOA-VBKFSLOCSA-N	305.337	3.715	50	20	DHGD	
Cc1ccnc([C@@H]2CCN(C(=O)C3CCC(Cl)CC3)C2)c1	1548716696	ZKRMDAMXLAOVJL-SHARSMKWSA-N	306.837	3.504	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc1	1078806	ZVXCPJGRPFYOIX-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	44013998	WQEIMAVVGKUAHG-WJDWOHSUSA-N	306.365	3.939	50	20	DHGD	
COc1cccc2cc(/C=C(/C#N)C(=O)Nc3ccccc3)oc12	69008427	LDMIEJUHCQZSNQ-KAMYIIQDSA-N	318.332	3.987	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cc2c(s1)CC[C@H](C)C2	120297112	GKLZQJTZZPMTBO-NSHDSACASA-N	300.427	3.938	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc(C(=O)O)c2)c1	126388291	DBVYQIKFMOCUFO-LICLKQGHSA-N	305.333	3.792	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1cc(F)c(F)c(F)c1	128803310	NCRRAFXJILYDIZ-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
CC(C)COC[C@H](NC[C@@H](C)CBr)c1ccco1	152822665	YOANZCVVSJBBTB-STQMWFEESA-N	318.255	3.614	50	20	DHGD	
CSCCCCC(=O)NNc1cccc(C(F)(F)F)c1	154951001	CGHSCEOGMSAJBF-UHFFFAOYSA-N	306.353	3.682	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@@H]1c1c(F)cccc1F	158313223	WSPWFFKIHRVMCO-UWVGGRQHSA-N	322.742	3.865	50	20	DHGD	
Cc1cc(Br)ccc1/C=C(\C#N)C(=O)OC(C)C	164626982	XCIAOJJISJWOOQ-KPKJPENVSA-N	308.175	3.616	50	20	DHGD	
CCCOc1ccc(C(=O)/C=C/c2cnn(CCCl)c2)cc1	171539362	YLZWTYBPILCIJM-FPYGCLRLSA-N	318.804	3.807	50	20	DHGD	
C/C(=C\C(=O)NNc1ncccc1Cl)c1ccccc1Cl	172267321	YKQRCHAZZYIWAL-MDZDMXLPSA-N	322.195	3.935	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1cccc2ccccc12	178319876	VQRMCEGDDGNOTL-JYRVWZFOSA-N	305.362	3.842	50	20	DHGD	
CN(C)S(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181605546	AAEJGLKBSUVTBP-UHFFFAOYSA-N	311.297	3.594	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C(C)(C)c1ccc(F)cc1	184343615	ISNUGDFEPIFVDF-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(Cl)c(Cl)c1	191762235	JJSMNTDRLJPRLV-POHAHGRESA-N	304.198	3.683	50	20	DHGD	
CSCc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	194860059	KJTHKVLKSFICAU-GDNBJRDFSA-N	324.405	3.801	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)cc1	207698971	RDFVJCHSDGKAIC-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1cc(C)cc(C)c1	255473388	PUTISORGIKVOSH-QINSGFPZSA-N	310.397	3.859	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)COc2ccc3ccccc3c2)C1	257354100	VSGAHMGXEMOOKM-CQSZACIVSA-N	310.397	3.901	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC(F)F)c1	263676987	NTGIEJKIURMYQA-VPMLRQHESA-N	309.312	3.819	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(C2SCCS2)cc1	289207036	YANDYWRNHZJTCF-UHFFFAOYSA-N	322.282	3.699	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)c1cnc2ccccc2n1	588580362	FZADJOSIQHOQAR-QINSGFPZSA-N	323.359	3.880	50	20	DHGD	
CN(NC(=O)[C@@H](OC1CCCC1)c1ccccc1)c1ccccc1	726981641	YBXXSTXIYMCGFN-IBGZPJMESA-N	324.424	3.855	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cccc(Cl)c1)c1ccccc1	731931664	NCXAOZZAACOONX-MRXNPFEDSA-N	300.789	3.984	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C=C1CCC(C)CC1	734102047	DOQXLHUQHMTVQQ-UHFFFAOYSA-N	305.330	3.645	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)c(O)c1	735614328	UEKUULJILABAAU-MRXNPFEDSA-N	322.408	3.829	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc4c(c3)OCCO4)[nH]c12	735616798	JLDBBDHHLLQFEZ-NTEUORMPSA-N	317.348	3.707	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2OCCc3ccccc32)c(C)c1	743763401	IMBKSHBOUUWSAH-SFHVURJKSA-N	324.424	3.759	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)c1ccsc1	749099813	SZBMHESCDOQUEU-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC(C)(C)CC1	761271119	FSUZHJDCSJMAQD-UHFFFAOYSA-N	320.458	3.860	50	20	DHGD	
Cc1c(-c2ccccc2)sc2ncn(C/C=C/C#N)c(=O)c12	763298118	MBJGOMNKLJHUEF-AATRIKPKSA-N	307.378	3.513	50	20	DHGD	
O=C(NN=CC[C@H]1CCOC1)c1cc2c(s1)CCCCCC2	765562054	GCDLUYIAFIXHBE-ZDUSSCGKSA-N	320.458	3.549	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC(C)(C)C[C@@H]1C	766010843	OJVOHIPKQYVZOM-JTQLQIEISA-N	308.809	3.891	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1csc(C(C)C)n1	768767448	GGPSHBKTHRFLNN-UHFFFAOYSA-N	315.442	3.740	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)c1cccc(F)c1F	771345451	SDKRDSQTMPWXAV-JTQLQIEISA-N	323.318	3.800	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2ncc(Cl)cc2Cl)o1	775271424	MGYDMMIAEMOLKB-QMMMGPOBSA-N	314.172	3.537	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1ccc(C#N)cc1	777171493	AONVTRMQXLYLCE-UHFFFAOYSA-N	309.394	3.593	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2sccc2Cl)c1	782136957	ZKDYRWFZPCLSMW-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CC1(C)CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	785639523	YZHSFKAZKREKPH-SCOADAFUSA-N	300.377	3.818	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)cc1	786056655	PWGZKSZVQQCJNZ-XDHOZWIPSA-N	304.393	3.781	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc(C#N)cc1Cl	788406366	CLZYTDXXJBGOLC-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
CC[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)c(OC)c1	789085261	DSHMDSHCQLZGNM-ZWNOBZJWSA-N	311.813	3.553	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1cccc(C#N)c1	789994268	QVTCNNBVURXGHI-UHFFFAOYSA-N	311.410	3.568	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc2oc(C3CC3)nc2c1	792231108	TUMYBRAZJSJXGO-UHFFFAOYSA-N	323.356	3.557	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	793331886	XCPKJGIOUVQVEB-DGCLKSJQSA-N	307.346	3.725	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(Cl)c(F)c2)cc1C=O	793713512	PTRLZKYNGSFIOV-UHFFFAOYSA-N	320.751	3.665	50	20	DHGD	
Cc1cccc(C(=O)NN=C2c3ccccc3-c3ccccc32)n1	794568482	RSBDUJCBTKZTCS-UHFFFAOYSA-N	313.360	3.553	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)cc1	806787896	OTNBRPPMYGZGQW-XOKHGSTOSA-N	302.418	3.745	50	20	DHGD	
ClCCCOc1ccc(CNCCOC2CCCC2)cc1	811475891	CJEBBSTZIXAEFW-UHFFFAOYSA-N	311.853	3.743	50	20	DHGD	
CC[C@H](NCc1ccc(OCCCCl)cc1)[C@H]1CCCO1	811485502	NYGXVHDDNYMXIR-DLBZAZTESA-N	311.853	3.742	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1c(Cl)cc(Cl)cc1N(C)C	811638980	KETQAFHASFHFJH-SECBINFHSA-N	316.232	3.556	50	20	DHGD	
Cc1cc(O)nc(/C=C\c2ccc(OCCCCl)cc2)n1	811690555	DQYLIFRZSWKWMN-YVMONPNESA-N	304.777	3.669	50	20	DHGD	
CCC(O)(CC)CCNC(=O)NNc1c(C)cccc1C(C)C	813148300	BBNAKEQHKDVOGJ-UHFFFAOYSA-N	321.465	3.686	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	814684111	DUGSVTRCPWNHMO-GFCCVEGCSA-N	303.362	3.527	50	20	DHGD	
C=C(CBr)CN1C[C@@H]2CCCCN2c2ccccc21	815227556	BTFDYHWTGAEYDQ-AWEZNQCLSA-N	321.262	3.817	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](OC(C)C)c1ccccc1	816163815	DJMVQCIMFJBBPM-QGZVFWFLSA-N	316.376	3.744	50	20	DHGD	
Cc1cc(OCCCC(=O)NCC(Cl)Cl)ccc1Cl	816605278	SIFIACJOLFRURM-UHFFFAOYSA-N	324.635	3.727	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)N(C)CC(Cl)Cl	816629559	ROKICAQRTQLAGD-WOPDTQHZSA-N	310.265	3.622	50	20	DHGD	
CCOCC(C)(C)NC(=O)CCCC[C@H]1CCSS1	818024951	ZCRWCHXBFWMUKT-LBPRGKRZSA-N	305.509	3.632	50	20	DHGD	
O=C(CSc1ccc2ccccc2c1)NCC(Cl)Cl	819793859	HHTDYUKKBDQRSP-UHFFFAOYSA-N	314.237	3.852	50	20	DHGD	
CCn1ncc(C)c1NC(=O)NNc1ccc(C(C)(C)C)cc1	825155469	FEIIMJMORAFORD-UHFFFAOYSA-N	315.421	3.658	50	20	DHGD	
CC(C)(C)c1ccc([C@@H]2CCCN2S(=O)(=O)CCl)cc1	830069661	QZZXCGIXQUNUHJ-AWEZNQCLSA-N	315.866	3.647	50	20	DHGD	
CC(C)(C)OC(=O)c1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1	834447107	HWAKPHKYJNOWHW-UVTDQMKNSA-N	317.360	3.866	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)cc1	834941415	BTWNKDGXSXLXAF-GFCCVEGCSA-N	319.405	3.530	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CC1(Cl)Cl	838341959	POHMXPCKECIIIJ-YFKPBYRVSA-N	313.999	3.630	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccc(C)o1)O[C@H](C)C2	840723584	XWNKTTZNQOEYBP-IWTIEGKHSA-N	323.348	3.710	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)c2nc(C3CC3)cs2)oc1C	843265489	OBAMFJCBXARIKS-VZUCSPMQSA-N	314.366	3.773	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)NNc2cc(F)ccc2C)s1	853472766	BPWAONILMIFFPT-LLVKDONJSA-N	307.394	3.891	50	20	DHGD	
CCC1(C(=O)NC[C@@]2(C)C[C@H]2Br)CCCCC1	857392566	AKJAQBBROHWEDQ-DGCLKSJQSA-N	302.256	3.637	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NN[C@@H](C)C(F)(F)F)cc1	862313365	GAQMLXLAJWBODI-RYUDHWBXSA-N	316.367	3.875	50	20	DHGD	
CC(=NNC(=O)c1nc2ccccc2s1)C1CCSCC1	872438209	ZBAMVEOYXXRVHH-UHFFFAOYSA-N	319.455	3.545	50	20	DHGD	
C[C@H]1CCCCC1=NNC(=O)CCSc1ccc(F)cc1	916346288	RUEUQFVVSPHLDG-LBPRGKRZSA-N	308.422	3.990	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2sccc2C)n1	920388352	VTZYFZHJHVESSG-POHAHGRESA-N	304.396	3.754	50	20	DHGD	
CC(=O)CCCCCCC(=O)OC[C@]1(C)C[C@@H]1Br	1123142211	QFIUAGIIOUERTD-JSGCOSHPSA-N	319.239	3.633	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2cccc(C)c2C)c1	1319119669	WTQKOYNGRUEYLV-BOPFTXTBSA-N	319.360	3.880	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H]2CCCC[C@@H]2C1	1320270344	CUFSOQXEEVGRMK-JHJVBQTASA-N	316.283	3.835	50	20	DHGD	
COc1ccc([C@@H]2C[C@H]2NC(=O)c2cccc(CCl)c2)cc1	1337264526	VUQGMHPPEQSTBM-DLBZAZTESA-N	315.800	3.720	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	54802104	CYEHFWNUQCPBIZ-ZSOIEALJSA-N	314.385	3.986	50	20	DHGD	
CC(C)Oc1cccc([C@H](C)NC(=O)NNc2ccccc2)c1	114929149	YIXCQZMSRSVAOE-AWEZNQCLSA-N	313.401	3.861	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1CSc2ccccc21	120139697	RKRNIJFQNXLXNK-ZDUSSCGKSA-N	304.802	3.673	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2ccc(Cl)cc2)c1	120351682	NILDNLUFMOXKPC-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc(Br)c2)c1	127630159	QICKXVLWAVEVRY-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	158307973	GITSWGLXDBSXGC-GHRIWEEISA-N	305.381	3.572	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1SCCc2ccccc21	160789544	OCGMKGHKAGAJCM-INIZCTEOSA-N	316.401	3.608	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2ccc(C)cc2)cc1C	180363540	DFXJVSAEYVVNMK-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cnc(C(C)(C)C)s1	192095824	WLGCDQPZHNIADM-XYOKQWHBSA-N	312.460	3.520	50	20	DHGD	
N#C/C(=C/c1cccnc1)C(=O)Nc1ccccc1C(F)(F)F	210563431	VVGHJJSUXBHGDV-WQLSENKSSA-N	317.270	3.646	50	20	DHGD	
CC(C)[C@@H]1CN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CCS1	255567690	OBRCPGKTUFJORU-UJPCXNRSSA-N	317.414	3.533	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)C1=CCCCC1	275980865	MOFNLEMZGBHPIN-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2cc(C)cc(C)c2)c1CC	277404702	SNWRMXCAURJPRV-UHFFFAOYSA-N	314.433	3.619	50	20	DHGD	
CCCN(N=C1CC[C@@H](CC(=O)O)[C@@H]1C)C(=O)OC(C)(C)C	495589488	AKYKJHPGMLBMAF-RYUDHWBXSA-N	312.410	3.510	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccc([N+](=O)[O-])cc2Cl)cc1	726872743	SBOYNWOUSQCGJU-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c(Cl)cccc2s1	728607899	LVODQCMKZTWREQ-UHFFFAOYSA-N	324.833	3.752	50	20	DHGD	
CCC(=NNC(=O)Cn1ccc2ccccc21)c1ccccc1	729639256	CPXYALIIFVKOBU-UHFFFAOYSA-N	305.381	3.572	50	20	DHGD	
N#C/C(=C/c1occc1Br)C(=O)c1ccc(F)cc1	735305883	ZODCCFXOUDQBRZ-YFHOEESVSA-N	320.117	3.971	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ncccc1C(F)(F)F	740100832	RHGXYGAXGYUALM-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
COc1cccc(F)c1C(C)=NNC(=O)Nc1ccccc1C	741807375	ZWHAQOTXKUPJBB-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)c1cc2c(s1)CCC2	742474263	PXAIPVRZFJFZTJ-LBPRGKRZSA-N	322.474	3.604	50	20	DHGD	
C=CCSCCNC(=O)NNc1ccc(Cl)cc1Cl	745280922	CFOWHIIFKLLBSL-UHFFFAOYSA-N	320.245	3.539	50	20	DHGD	
CC[C@H](SC)C(=O)NN(c1ccccc1)c1ccccc1	746767175	OGJUCOHQHREJBS-INIZCTEOSA-N	300.427	3.998	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2ccc(Cl)cc2F)c1	747643247	CPCZSYWPPAGNGV-UHFFFAOYSA-N	304.752	3.860	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccccc2Br)C1	748065960	JSDGHISYZDKAST-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cnn(-c2ccccc2)c1	748252917	YGXRPOMJIZAXOO-CQSZACIVSA-N	324.428	3.804	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)C2CCCC2)c1C	758774294	OZFKHEKCDFRGDB-SFQUDFHCSA-N	313.445	3.823	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccncn2)cc1OCCC(C)C	758917712	ZAHHGIVQSSNXBA-YBEGLDIGSA-N	323.396	3.974	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c[nH]c3cccc(F)c23)cc1	763355831	YXVXQNGLDWUIKX-UHFFFAOYSA-N	309.344	3.633	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1C#N	766449912	HIEWCDJTPFZNPZ-UHFFFAOYSA-N	313.360	3.784	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1Cl)c1cccc(Cl)c1	767759977	BVTOQNHXWMDWGU-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
Cc1ccc2c(c1)CCN2/C(=C\C#N)c1cccc([N+](=O)[O-])c1	773642593	DTMJHQYNOLCWET-WSVATBPTSA-N	305.337	3.830	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)n(C3CCCCC3)n2)cc1	776463836	QQTNPRWNIAMNAV-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CCCc2occc21	781073757	OLMQGWOPHGXOHQ-ZYHUDNBSSA-N	314.223	3.583	50	20	DHGD	
Cc1nc(CC(=O)NN=CC2CCC(C(C)(C)C)CC2)cs1	783806818	PGKHZQWBSWBHDG-UHFFFAOYSA-N	321.490	3.949	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1cccc(C#N)c1	799597627	SMOFIFIDXHRKLI-CQSZACIVSA-N	322.412	3.816	50	20	DHGD	
COc1cc(C(=O)NN=C[C@@H]2CC[C@@H](C)C2)ccc1OC(C)C	800808173	NAJUWJITVVORJA-ZIAGYGMSSA-N	318.417	3.634	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cccc(F)n1)c1cccc(Cl)c1	804769474	HHDRQQKTLNQFIS-OAHLLOKOSA-N	321.783	3.757	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CC[C@@H](c2ccccc2)C1	814712244	OHOJKLKNAYSRQW-MRXNPFEDSA-N	307.397	3.538	50	20	DHGD	
CSCCCC=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	814759777	OFDHKNHDPXJWDI-NSHDSACASA-N	310.488	3.732	50	20	DHGD	
O=C(NN=Cc1ncc(Cl)s1)Nc1ccc(Cl)cc1	815004646	MYFWXTOIGLXNCW-UHFFFAOYSA-N	315.185	3.606	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3c([nH]2)CCCC3)c(Cl)c1	836934922	KHWGOPMJXLLYMN-UHFFFAOYSA-N	303.793	3.612	50	20	DHGD	
O=C(NN=C1CCCCCCCCCCC1)c1ncccn1	841663185	SXOYELJYAHLCEJ-UHFFFAOYSA-N	302.422	3.867	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc2ccncc2s1	849179687	VOMJSIWGPSQQBN-GXDHUFHOSA-N	313.426	3.900	50	20	DHGD	
CC(C)Cc1c[nH]c(C(=O)NNc2cc(F)cc(Cl)c2)c1	855622133	XLBQOJPCASPJEX-UHFFFAOYSA-N	309.772	3.763	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NN[C@H](C)C(F)(F)F	862313601	KIGLYOBOQGTOQR-DGCLKSJQSA-N	308.388	3.801	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(C)[nH]c(C(=O)OCC)c1C	863186248	UEZGASZUVNMYPU-HOXUKUGESA-N	316.401	3.721	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)OC(C)(C)C)cc1OCC	916266678	QGNPCNJJNONXRH-UHFFFAOYSA-N	322.405	3.733	50	20	DHGD	
CCOc1nccc(C)c1C(=O)NNc1ccc(Cl)cc1C	928336785	CGUJRVKQTYCHKR-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
Cc1ccc(NC(=O)Nc2ccccc2)cc1NC(=O)CCl	1319675308	ZPYNHJIFVQWQOU-UHFFFAOYSA-N	317.776	3.816	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(c2cccc(C#N)c2)CC1	1325158174	ACNZCBYFDPWAET-UHFFFAOYSA-N	319.408	3.604	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccccc2Cl)c(Cl)c1	1337095114	JEVIYHHTZSUENB-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1C(=O)O	1776129598	PHYUWESYAWIMIO-ZROIWOOFSA-N	317.348	3.644	50	20	DHGD	
CCCCn1ncc(NC(=O)NNc2cccc(Cl)c2)c1C	119710717	BQJBMGZMDOSRFE-UHFFFAOYSA-N	321.812	3.794	50	20	DHGD	
Cc1cccc(NNC(=O)COc2ccc(C(F)(F)F)cc2)c1	120882480	PUFNIOUZBMSQQW-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2ccc(COC)o2)c1C	130323314	QYHBKDSDVWWMND-GDNBJRDFSA-N	324.380	3.820	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(C#N)c1)c1ccc(OC)cc1	152732224	RSKZMUSAAILMBL-HNNXBMFYSA-N	323.396	3.594	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1	158548425	IDVWQLFWCCRREZ-FPLPWBNLSA-N	318.682	3.741	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)ccc2Br)cc1	158952112	SYNHDCYONTWYMC-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cc(F)c(F)c(F)c1	160916488	CSOKDNVWISAZOR-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
CCN([C@H](C)c1ccc(F)cc1)S(=O)(=O)CCCCCl	163419484	SKTZSMKPCXGRLX-GFCCVEGCSA-N	321.845	3.557	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(O)c(Cl)c1	183709071	NBJIVVYLLOVDPR-XFFZJAGNSA-N	316.719	3.730	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnc(-c2ccco2)s1	184314356	CIRIYTXUPXRIKC-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccc3c(c2)OCO3)ccc1F	209783626	DFVKUYKMILEIRS-VGOFMYFVSA-N	309.296	3.653	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccccc1OC(F)F	211205422	YTVPLTXFBMWGFT-WQLSENKSSA-N	303.264	3.979	50	20	DHGD	
COc1cc(/C=C(/C#N)c2ccccn2)cc(Cl)c1OC	213894594	SCYGUIUCSRDKPQ-GHXNOFRVSA-N	300.745	3.816	50	20	DHGD	
CC[C@H](C)N(Cc1ccccc1)S(=O)(=O)CCCCCl	228325132	WTAZODPPDHJMLZ-AWEZNQCLSA-N	317.882	3.636	50	20	DHGD	
CN(C)c1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1	254758592	JQFHUFMBHXPJMZ-UHFFFAOYSA-N	317.392	3.670	50	20	DHGD	
C[C@@H](c1ccco1)N(C)C(=O)[C@H](Br)C(C)(C)C	272594543	JERVEOKEDGKAQR-ONGXEEELSA-N	302.212	3.609	50	20	DHGD	
CC#CCCCC(=O)NNc1ccnc2cc(Cl)ccc12	274374719	LFFYJCLODSXPPZ-UHFFFAOYSA-N	301.777	3.525	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(-c2ccccc2)cc1	725854598	VAHZTNQWFKDUKS-UHFFFAOYSA-N	303.365	3.836	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N(C)c2ccccc2)cc1C	732715921	CPBWRDLVLPJDJO-VBKFSLOCSA-N	306.365	3.574	50	20	DHGD	
O=C(NN=Cc1cccc(-c2ccccn2)c1)c1ccccc1	747735662	GYENRDHNRBULOS-UHFFFAOYSA-N	301.349	3.513	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)[C@@H]1CC12CCOCC2	749340211	LDIYSQUBEHLBAQ-SFHVURJKSA-N	322.408	3.673	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)/C=C(\C)C1CC1	753184820	NFXWSYMQTZKNLD-CSKARUKUSA-N	323.234	3.811	50	20	DHGD	
C[C@H](CC=NNC(=O)COc1ccccc1F)c1ccccc1	755510211	DVJSLXOYNMMIDJ-CQSZACIVSA-N	314.360	3.500	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=CC(C)(C)CCC#N)c1C	755551312	KQALQSBQESBQSG-HNNXBMFYSA-N	315.417	3.503	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1occc1C	767757020	YRGWRQMRLXRAQB-OAHLLOKOSA-N	314.385	3.513	50	20	DHGD	
C#CCN(C(=O)[C@H](Br)C(C)(C)C)C1CCCCC1	767883259	IUGQHSPXAKHDSK-ZDUSSCGKSA-N	314.267	3.591	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@@H]1CCc2ccccc21	770373887	HVKXGWQBROJPGV-YPMHNXCESA-N	311.219	3.681	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](c1ccccc1)C1CC1	770407341	KCHBPDYVWUALPC-SMDDNHRTSA-N	311.219	3.754	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(Br)c(F)c2)CCC1	771675544	WASGUUQUQSECTR-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Cl)c3ccccc3n2)c1	774352141	ZDPVZBGNIXEEGU-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1cc(/C(C#N)=C2\COc3ccc(F)cc32)ccc1[N+](=O)[O-]	774557103	AKQINBQNGMBFHI-CCEZHUSRSA-N	310.284	3.869	50	20	DHGD	
CC(C)C[C@@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	779647874	DLDWWDBRYBEIIC-SNVBAGLBSA-N	319.327	3.646	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CC[C@@H](Oc2cccc(F)c2)C1	784493764	DTJAZAVIZHLCFH-LMDZTEHRSA-N	308.356	3.843	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C[C@H](C)CC	790884295	USBNZMGMMMBEDE-SNVBAGLBSA-N	313.239	3.891	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CC1(Cl)Cl	791714208	GRLMFQOCWZDGRV-QMMMGPOBSA-N	313.999	3.630	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(Cl)nc1	799389550	DFTIYDGYSQWRIC-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1Cc2ccccc2S1	799757136	WAKKBSYYMDBENC-MRXNPFEDSA-N	312.438	3.718	50	20	DHGD	
Cc1ccc(-c2nc(C(=O)N(C)CC(Cl)Cl)cs2)o1	808247755	NKSYQQZARMOLMF-UHFFFAOYSA-N	319.213	3.587	50	20	DHGD	
O=C(NCC(F)(F)F)NN=Cc1ccc(C2CCCC2)cc1	812226506	FVBWNHLQTRBROI-UHFFFAOYSA-N	313.323	3.540	50	20	DHGD	
CCSc1cccc(CNC(=O)NNc2ccc(F)cc2)c1	813843013	CEZSJIYHEHGLQD-UHFFFAOYSA-N	319.405	3.764	50	20	DHGD	
CSSCCNC(=O)N1CC2(CCC2)[C@H]1c1ccccc1	814391948	WQIFYYFEIDJXEA-CQSZACIVSA-N	322.499	3.934	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@H](CO)c2ccccc21	814679265	PHLJDKSEWUNJIU-CQSZACIVSA-N	307.510	3.604	50	20	DHGD	
N#C[C@H]1CCCC(=NNC(=O)Cc2ccc3ccccc3c2)C1	814808238	ZTPVYHGDNOIQKI-HNNXBMFYSA-N	305.381	3.568	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(OCC)cc2)CCCC1	817890266	XORISKJUCXHBBM-UHFFFAOYSA-N	320.433	3.515	50	20	DHGD	
O=C(NN=Cc1cccc2cccnc12)c1cc2c(s1)CCC2	818236735	UIERLQXXKPNQOU-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2cc(F)ccc2C)cc1C	822383153	MLPDBBYAGQTKFV-NSHDSACASA-N	319.384	3.759	50	20	DHGD	
CSc1cc(C(=O)NNc2cccc3c2CCCC3)c(C)o1	830802171	XCMHMSXRWLNIOF-UHFFFAOYSA-N	316.426	3.946	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2ccc(C(C)C)cc2)s1	837056843	TUSQJAKUVWRDRV-UHFFFAOYSA-N	303.431	3.894	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NN(C)C(=O)OC(C)(C)C	838370352	RDIVTTUOUSOMAI-AWEZNQCLSA-N	320.433	3.544	50	20	DHGD	
CCc1cnc(CNC(=O)NNc2ccc(C(C)C)cc2)s1	838500140	VVAPHJACOWXNFW-UHFFFAOYSA-N	318.446	3.655	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccnc(Cl)c1)c1ccccc1	855468522	ZSSSCNKJUSTDRA-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@H]1CCC[C@H](C(F)(F)F)C1	856094970	BUITVAZMHPXLGB-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(Cl)cc1O	857081591	HBNCSZWDYXQWKL-AQUOVQTQSA-N	318.642	3.870	50	20	DHGD	
C[C@H](CCC(=O)NC[C@]1(C)C[C@H]1Br)c1ccccc1	857394429	RDSNDZSQBSYQAN-XPKDYRNWSA-N	324.262	3.860	50	20	DHGD	
CN(C[C@@H](CBr)C1CC1)C1Cc2ccccc2C1	859090189	OJILNBGLCJBBSM-OAHLLOKOSA-N	308.263	3.507	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(F)c1Cl)C(=O)NC1CCCC1	863180788	AEZSAUGJQNNYSP-CLFYSBASSA-N	310.731	3.584	50	20	DHGD	
CC(C)CC=NNC(=O)CSc1nc2ccccc2s1	863965162	HVMOXZVUIZONGC-UHFFFAOYSA-N	307.444	3.537	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(F)cc2Cl)ccn1C(C)C	885137316	SWGNJJLQXSAKOG-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2c(C)n[nH]c2C)cc1	915654414	YWTKVJBHNNTPDN-WJDWOHSUSA-N	322.412	3.915	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2ccc(F)cc2F)cc1	919206254	QHQVUMFZZWARMH-UHFFFAOYSA-N	304.340	3.603	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cnnc2ccccc12	1182721218	MTPOYCSDUWCWIY-CYBMUJFWSA-N	312.417	3.679	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1	1317727915	RUVODJONKIVNFI-QZLPCGMESA-N	311.385	3.971	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(Cl)nc1)c1ccc(F)cc1	1320955935	MDFMCDQFMHRRTD-ZDUSSCGKSA-N	322.771	3.652	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1ccc(C(C)C)cc1	1325415865	KNTXTUIRNNXKDD-UHFFFAOYSA-N	314.433	3.907	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(-c2cc3c(s2)CC[C@@H](C)C3)o1	1326050159	RLXUZIDKTDJDPJ-QSARLWQPSA-N	315.398	3.824	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(Cn2cccc2)cc1	1342844451	VRBOQRYBJHORSW-UHFFFAOYSA-N	323.371	3.741	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2ccc(C(=O)O)cc2F)CC1	1593874683	XVJMJWZJNCKLSR-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccccn2)cc(Cl)c1OC	5128586	SCYGUIUCSRDKPQ-KPKJPENVSA-N	300.745	3.816	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2ccc(F)cc2F)c1	73769549	MHCHRNOSAGAJSV-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
CCC(CC)[C@@H](NC(=O)NNC(=O)C(C)(C)C)c1ccccc1	79435516	HWVYXZGRYQBRQJ-OAHLLOKOSA-N	319.449	3.540	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1cccnc1Cl	85660793	FBXYOKMAIHLKAX-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccccc2C#N)c(C)c1	120722383	XOTAFDVRWVWMLB-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1n[nH]c2ccccc12	133063455	HGHPHUYTYIONLH-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
COc1ccc2oc(C)c(C(=O)NNc3cccc(F)c3)c2c1	154304374	NSWUUFJOVPEWST-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2ccccc2Cl)c1	158527650	JKGXEWAMWUCQKZ-UHFFFAOYSA-N	304.777	3.886	50	20	DHGD	
CC(C)C[C@H](NS(=O)(=O)CCCCCl)c1ccccc1	163433275	HPLJUTXZERICFP-HNNXBMFYSA-N	317.882	3.712	50	20	DHGD	
CC(C)C[C@@H](NC(=O)NNC(=O)CC(C)(C)C)c1ccccc1	170884183	GXAIFGLXGRKUFM-OAHLLOKOSA-N	319.449	3.540	50	20	DHGD	
O=C(/C=C\c1cccnc1)NNc1c(Cl)cccc1Cl	255002629	MLFNNFLBKSJEDB-SREVYHEPSA-N	308.168	3.545	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc3c(O)nccc3c2)CC1	285695827	MLPLSMRXMPPBGE-JOCQHMNTSA-N	313.401	3.600	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	293604366	DDMSKFHFTVYDOW-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
Cc1ncc(/C=C\C(=O)NNc2ccc(C(C)C)cc2)s1	492983759	JUSLCTWZRGMMOQ-HJWRWDBZSA-N	301.415	3.731	50	20	DHGD	
CCc1nc(CN(C)C[C@H](CBr)C2CC2)cs1	701846277	SUEPFPZICISLOW-NSHDSACASA-N	317.296	3.558	50	20	DHGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)C(C)(C)c1ccccc1	728135041	TXKBYAFNRRFXFD-CQSZACIVSA-N	322.412	3.551	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2csc3ccccc23)c1	728781605	RGEYCIKUYFNCRS-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
Cc1nc(CCC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)cs1	733094911	QBPVJNAEYVEXQT-UHFFFAOYSA-N	320.370	3.515	50	20	DHGD	
O=C(NCCc1ccc(Cl)cc1Cl)NNc1ccccc1	734265896	RKTMPHRNKTWFFY-UHFFFAOYSA-N	324.211	3.862	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(SC(F)F)cc1	734980414	SCSOMGZNWHJVJY-VIFPVBQESA-N	300.374	3.888	50	20	DHGD	
CCN(CC)c1ccc(C=NNC(=O)CC(C)(C)C)cc1F	739410459	YSDHEDMWAVDUOL-UHFFFAOYSA-N	307.413	3.558	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)CC(F)(F)F)C(C)C)cc1	741461999	WCECPJUMMUUTDO-UHFFFAOYSA-N	300.324	3.618	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CNc2ccccc2Cl)c1	748354424	VYVJCBCVFPLGFZ-UHFFFAOYSA-N	303.793	3.512	50	20	DHGD	
CCc1ccc(O)c(C(=O)NNc2ccccc2C(F)(F)F)c1	748833719	BYACKCZPIIWVDS-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1cc(Cl)nc(C)n1	749540790	WIIROYXSOFWIQD-CYBMUJFWSA-N	324.856	3.878	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1(CC)CC1	753184270	DNUKGMKPJALLJP-UHFFFAOYSA-N	311.223	3.645	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cnc(Cl)s2)cc1	760462533	ACUDSZGZLMTASX-SDQBBNPISA-N	318.785	3.755	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1	763363296	QBUNAHDQSPWHNV-GFCCVEGCSA-N	311.772	3.731	50	20	DHGD	
Cc1ccccc1CN(C)C(=O)[C@@H](Br)C(C)(C)C	766966475	GNOXDTIUHPJWGK-CYBMUJFWSA-N	312.251	3.763	50	20	DHGD	
COCCN(C[C@H](C)CBr)[C@H](C)c1ccccc1	770650771	WELWLCOMNREODG-ZIAGYGMSSA-N	314.267	3.727	50	20	DHGD	
COc1ccc(N(C)C[C@@H](C)CBr)cc1Cl	770658546	YGUZEBOXUSTWIT-VIFPVBQESA-N	306.631	3.816	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)c1c(F)cccc1F	771299562	HSNMGTSKNRHICI-JTQLQIEISA-N	323.318	3.800	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1c(C)cc(C)cc1C	775781198	BPOLSGILEJZNBS-UHFFFAOYSA-N	304.434	3.818	50	20	DHGD	
O=C(CCc1ccc2[nH]ccc2c1)NNc1c(F)cccc1F	775781309	IWHSVMCTPIRHDF-UHFFFAOYSA-N	315.323	3.522	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1cc2ccccc2s1	780196002	YPLPVLKPOOIPQE-UHFFFAOYSA-N	323.421	3.854	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1ccccc1C(F)(F)F	780307083	AIKKKYRQLMJGPE-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)c1	780375524	WUFVXWWIRSMWTA-NTUHNPAUSA-N	304.271	3.834	50	20	DHGD	
Cc1cc(COC(=O)/C(C#N)=C/c2ccccc2)ccc1C#N	785343359	DOQZNLQSMYELQY-VCHYOVAHSA-N	302.333	3.517	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C[C@@H](C)CC	790884294	USBNZMGMMMBEDE-JTQLQIEISA-N	313.239	3.891	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)c1cc2ccccc2s1	794691192	MXBDOIJDXSYHSH-NTUHNPAUSA-N	307.378	3.733	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(Cl)ccc1C	795570510	WPVPSLBSAHHOKM-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)o1	797330844	ROGILCKAHOWLPN-NTEUORMPSA-N	312.344	3.765	50	20	DHGD	
CC(C)n1cnc(C(=O)NNc2c(Cl)cccc2Cl)c1	798979543	NSCCMKRGHKQLLI-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(-c2ccccn2)cc1	810334125	SUSICMMBGXUMFO-UHFFFAOYSA-N	319.455	3.881	50	20	DHGD	
O=C(NN=C1CCC2(CCCC2)CC1)c1ccc2c(c1)OCO2	811630263	WQMWCPHKWWQPFJ-UHFFFAOYSA-N	314.385	3.636	50	20	DHGD	
CCCN(N=C1COc2cc(F)ccc21)C(=O)OC(C)(C)C	814927959	OXQLFICSAQBKJK-UHFFFAOYSA-N	308.353	3.569	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC(Cl)Cl	816604617	QKWPHKOGMWHFCF-QMMMGPOBSA-N	302.292	3.620	50	20	DHGD	
C=CCC1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCCC1	836990359	DPIVYJVSGYRELN-VBKFSLOCSA-N	310.397	3.552	50	20	DHGD	
C[C@@]1(CNCc2ccc3ccccc3c2O)C[C@@H]1Br	857063599	NUKIIHSWDPDBBG-HOCLYGCPSA-N	320.230	3.809	50	20	DHGD	
CC[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(C)cc1O	857081922	KEVWLGJBPHWPNT-CFVMTHIKSA-N	312.251	3.915	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NC[C@]1(C)C[C@H]1Br	857398539	RXSOTVGKVWUYPM-FMKPAKJESA-N	324.262	3.545	50	20	DHGD	
BrC[C@H](CN1CCC[C@@]2(CCSC2)C1)C1CC1	859327249	LUDQSRMRTZTAFL-ZIAGYGMSSA-N	318.324	3.627	50	20	DHGD	
Cc1c(C(=O)NN[C@@H](C)C(F)(F)F)sc2cccc(F)c12	862304421	BHUMEXRLZPVAAU-ZETCQYMHSA-N	320.311	3.534	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](c2cccc(Cl)c2)C(C)C)n1	862522556	YJWMREHPJYWDDM-INIZCTEOSA-N	317.820	3.926	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2ccc(Cl)cc2)cc1	866004968	NZHPEBDPHGMEOP-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NN=C1CC[C@@H]2C[C@H]12	872334596	FDHGNJJDPGLYAC-OLZOCXBDSA-N	311.410	3.634	50	20	DHGD	
CC[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccc(C)cc1	915902812	JORRNJUPIUCHNQ-QGZVFWFLSA-N	308.385	3.644	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1cc2cc(Cl)ccc2o1	916251497	WKLCSPQAHZJNPQ-UHFFFAOYSA-N	313.744	3.635	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccccc1F	916271133	ZIGHRWAPNLMEOS-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CCCOc1ccc(C(=O)NN=CC2CCCCC2)cc1OC	916347957	CWJAPBZAGCUJLN-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cnc(C(C)C)s1	928338816	AVDJGMUFFMKESJ-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1[N+](=O)[O-])C(=O)Nc1ccccc1	33603088	JHIIDHQFVBYAAG-TVRRPSNRSA-N	319.320	3.697	50	20	DHGD	
CC(=O)c1cccc(NC(=O)NNc2ccc(Cl)c(F)c2)c1	83056001	IKGYCRFOZJAXGR-UHFFFAOYSA-N	321.739	3.830	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)c1ccc(Br)s1	107067635	IXTUKDOWYJZSOY-CLFYSBASSA-N	321.199	3.639	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OCCOC)cc1	125463697	BVPYGHKBNKNKGE-QXPQOBGOSA-N	301.386	3.624	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc(-c3ccccn3)s2)c1	159184394	WEHZYXLRFRVQEP-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1ccc(F)cc1Cl	160809171	UVNRTRNJGDQTSO-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2ccccn2)cc1Cl	180685192	OBKOXCMJLIWZKN-UHFFFAOYSA-N	320.780	3.672	50	20	DHGD	
CCOc1cccc2[nH]cc(CC(=O)NNc3ccc(C)cc3)c12	189916524	WKZVIIPDICBXDY-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
O=C(COc1cccc2ccccc12)NNc1ccc(F)cc1	192874957	GBHDUFJOIWODHX-UHFFFAOYSA-N	310.328	3.501	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(O)ccc2C(F)(F)F)c1	193637555	LCVFWVZGWVBXSJ-UHFFFAOYSA-N	324.302	3.785	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC[C@H](O)C(=O)OCc1ccccc1	198002974	QAQQEKKSOHHHNA-HNNXBMFYSA-N	324.493	3.503	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc1	255265681	HUXGFTOPMGZAKE-YDRQLGOLSA-N	319.320	3.950	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1CCC[C@H](OC)C1	281810494	QDIMRPWYVFOFHF-HOCLYGCPSA-N	304.434	3.596	50	20	DHGD	
CCCC[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCC1	588606966	AQZLDBKLNWFYFS-FXFXYLOPSA-N	312.413	3.774	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)c1cccc(C#N)c1	728781054	DSYRCXYDVIFNCD-UHFFFAOYSA-N	317.348	3.631	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1cccc(Cl)c1Cl	735461445	HXVFSVRIAITIRP-CUQRQBARSA-N	313.184	3.615	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2nc(C)c(C)s2)c1OC	741474577	QUWFKNDHSNWCCU-MDWZMJQESA-N	300.383	3.841	50	20	DHGD	
CCCc1ncc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)s1	741890087	YMHFUNCNBNGCHM-UHFFFAOYSA-N	306.343	3.531	50	20	DHGD	
CC(C)CCSCC(=O)NNc1ccc(Cl)c(F)c1	746695490	DQUPYGASBZOHKN-UHFFFAOYSA-N	304.818	3.702	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1cc(C)nc(C)n1	749538059	KOZFFGJHKFSIHX-HNNXBMFYSA-N	304.438	3.533	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ccc(F)cc1F	754084091	DNXZZLZNVQKIPH-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761394213	UTXVJAIPJBDOJX-UITAMQMPSA-N	301.148	3.564	50	20	DHGD	
C[C@@H](C=NNC(=O)CNc1ccccc1)c1cccc(Cl)c1	763346978	XGXLKPCWXXPUAK-ZDUSSCGKSA-N	315.804	3.658	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2nccc3sccc23)c1F	767150430	WCYHQUFLZJCSOB-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1c(F)cccc1Cl	770333274	RZZFWFRKDSDKAW-MRVPVSSYSA-N	323.589	3.596	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@H]1c1ccc(F)cc1	770645819	LKMLBLUPHMRGEL-RISCZKNCSA-N	300.215	3.994	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2cc(Cl)ccn2)cc1	778447882	TVWQSRGVFSYQSI-UHFFFAOYSA-N	317.820	3.934	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1cc2ccccc2s1	780189334	ZWMYHKRAPAPXNP-UHFFFAOYSA-N	310.378	3.761	50	20	DHGD	
CSSCCNC(=O)N(C)[C@@H](C)c1ccccc1F	790879954	VQVGKQGJHDREET-JTQLQIEISA-N	302.440	3.539	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNC(=O)CC(C)(C)C	792591748	CRQUYCLGOBQEGD-UONOGXRCSA-N	316.445	3.560	50	20	DHGD	
O=C(NN=C[C@@H]1CCCSC1)c1cc2c(s1)CCCCC2	794886609	BCQHPRJVMDEXND-LBPRGKRZSA-N	322.499	3.876	50	20	DHGD	
CCCN(N=C1CCc2cc(O)ccc21)C(=O)OC(C)(C)C	794994928	APXMQKNXMZUWPU-UHFFFAOYSA-N	304.390	3.690	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cc(C)c(O)c(C)c1	797326815	RRZRRBDZGHAQCA-LFIBNONCSA-N	300.402	3.613	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H](C)c1ccc(C(F)(F)F)cc1	799000495	JCIHWCDHCNWKJM-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
O=C(NNc1ncccc1F)[C@@H]1C[C@@H]1c1cccc2ccccc12	804214479	YNEAOPAUHVHOKV-HZPDHXFCSA-N	321.355	3.621	50	20	DHGD	
N#C/C(=C/c1c[nH]c(C(F)(F)F)c1)c1nc2ccccc2[nH]1	806565728	QMWDLRVSICWLTM-YHYXMXQVSA-N	302.259	3.974	50	20	DHGD	
CC[C@H](C)n1ncc(C(=O)N(C)CC(Cl)Cl)c1C1CC1	808247432	ZIHZXNIQDJCSIM-VIFPVBQESA-N	318.248	3.607	50	20	DHGD	
Cc1cc(C)c(/C=C/C(=O)NNc2cccc(Cl)n2)cc1C	817008885	LTOKIOYPINFNDZ-BQYQJAHWSA-N	315.804	3.817	50	20	DHGD	
CCCCCC(C)=NNC(=O)c1ccc(OCC)c(OC)c1	818252113	FGRDMMHAIIRRSI-UHFFFAOYSA-N	306.406	3.780	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)c2c(C)noc2C)c(Cl)c1	836934914	KEJSSOQDKHTSBW-UHFFFAOYSA-N	321.808	3.674	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1cc(Cl)ccc1O	839410317	XRDNAXRTWFMMGJ-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
CC(C)(CC(=O)NN=c1cc[nH]cc1Cl)C1CCCCC1	857486496	LMBZTOXTYSZXPZ-UHFFFAOYSA-N	309.841	3.597	50	20	DHGD	
Cc1cccc(NNC(=O)CCCCCc2ccc(F)cc2)n1	862521365	LHKMAPPHTXDTJS-UHFFFAOYSA-N	315.392	3.775	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)c(Br)c1)C1CC1	887212090	VMWQGBVEZFMUGX-ZETCQYMHSA-N	317.614	3.592	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1cccc(F)c1	916270570	IEMNHAAKKIIWIL-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CCC/C(C)=C/C(=O)NNC(=O)c1cc2c(s1)CCCCC2	920287964	RYNUHEXGXGYGIH-ZRDIBKRKSA-N	320.458	3.524	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1ccnn1C(C)(C)C	930929321	ZDNDVAKEYSOIHX-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
CN(C)c1ncccc1/C=C(\C#N)c1nc2cc(F)ccc2s1	1323086565	HCXKCRFRDOFWNJ-XYOKQWHBSA-N	324.384	3.961	50	20	DHGD	
O=C(NCc1ccccc1N1CCCC1)C1CCC(Cl)CC1	1518994636	AALAFYJTEUHTEH-UHFFFAOYSA-N	320.864	3.701	50	20	DHGD	
O=C(NCc1coc(-c2ccccc2)n1)C1CCC(Cl)CC1	1527836453	JWCQBKIAYXOZMZ-UHFFFAOYSA-N	318.804	3.755	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)c1ccc2c(c1)OCO2	44028731	RRNGTXJMYKBYGB-YHYXMXQVSA-N	317.753	3.920	50	20	DHGD	
CC[C@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1	118516381	KMOZUPLPAQIXAM-GFCCVEGCSA-N	304.340	3.992	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cncc2ccccc12	120037666	HUICCLQQIRVKBX-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(OC)cc1	125519177	AKIYSBUHZQRQCZ-NWFCWYBLSA-N	323.396	3.998	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)s1	127188204	WFMJHTIOEDJGBZ-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	134079234	WLSNQURJTWPLBB-ZDUSSCGKSA-N	313.357	3.622	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)cc1	158853265	KRWPEQNJYNUGKW-AZUAARDMSA-N	306.409	3.732	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H](C)c2ccc(C(C)C)cc2)ncn1	172410123	MGVFZHYCFUMSJX-ZDUSSCGKSA-N	312.417	3.545	50	20	DHGD	
CCOc1ccc(CC(=O)NNc2ccc(Cl)c(F)c2)cc1	175439089	LYXMMGVENITKIM-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(C#N)cs2)cc1	176838692	DTTLGPBGSGUTAD-JYRVWZFOSA-N	323.377	3.564	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)ccc1Cl	178501212	OXOPTERFBNMZOI-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
C/C(=C\C(=O)NNc1ccncc1)c1cccc(C(F)(F)F)c1	180448075	PRMFUVISPKAJIU-PKNBQFBNSA-N	321.302	3.647	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(O)c(Cl)c2)c1	214128951	INNPAEQJBQLSLV-NTUHNPAUSA-N	313.740	3.844	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1ccsc1	255361763	CGUANMLGQJBRPC-UVTDQMKNSA-N	305.362	3.724	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(Cl)c(C(F)(F)F)c1	255618261	DJFFKTHJUGHMIL-YCRREMRBSA-N	322.677	3.526	50	20	DHGD	
N#CC1=CCN(CC(=O)N(c2ccccc2)C2CCCCC2)CC1	272659673	OIGLADBTVPDGMB-UHFFFAOYSA-N	323.440	3.508	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)c(C)c1	490609954	CHZNFULHHJHQGE-ZROIWOOFSA-N	322.412	3.870	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cnc1Cl	490725741	KCYIPRVKBBVKML-NTEUORMPSA-N	311.772	3.613	50	20	DHGD	
CC(C)COc1ccccc1/C=C(/C#N)C(=O)NCc1ccco1	491176016	NCIHNGPYLJXLGA-YBEGLDIGSA-N	324.380	3.538	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1C	728287659	VLLZTMJUXNBIIU-GOYIASJBSA-N	313.445	3.727	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2ncccc2Cl)o1	734247560	QGUAGUAGKPSEHT-CMPLNLGQSA-N	319.792	3.527	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc2cccnc12)c1ccccc1	747355911	HIXJFXIPDRKCFP-AWEZNQCLSA-N	303.365	3.754	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(Br)c1)C(C)C	748033254	OCLJKUOCKAPFPD-NSHDSACASA-N	313.239	3.965	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2ccccc2Br)o1	748058539	FZYRYIHROVVQGQ-SNVBAGLBSA-N	323.190	3.597	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1CCCc2ccccc21	749273678	RRFAYMNRJBITPH-INIZCTEOSA-N	300.789	3.903	50	20	DHGD	
CN1CCc2cc(/C=C(/C#N)C(=O)c3ccccc3F)ccc21	751523884	LNTSTRLUNIKXBJ-PTNGSMBKSA-N	306.340	3.608	50	20	DHGD	
CSCCCCCCNC(=O)NNc1ccccc1Cl	753285362	PQGNHUDWNHYOOB-UHFFFAOYSA-N	315.870	3.890	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cccn1Cc1cccs1	755586083	HHVJGFSAGWLDKR-UHFFFAOYSA-N	323.421	3.670	50	20	DHGD	
CC(C)(C)[C@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)C1	768443679	AIECVYJIVAAVHD-QWRGUYRKSA-N	304.272	3.691	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)[C@@H]1CCCOC1	779762323	YBPSBBPFIXHJLP-SNVBAGLBSA-N	315.200	3.526	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cn1	780153644	PLAIPLJOXGYJHX-SDQBBNPISA-N	321.311	3.500	50	20	DHGD	
Cc1cccc([C@H](C)OC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	784019627	GZCJPEAIJUXIPL-MPMPPSQCSA-N	307.349	3.912	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(O)c1F)C(=O)c1cc(F)cc(F)c1	794943531	LWAPJMNIYYHSGV-WEVVVXLNSA-N	321.229	3.738	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1oc(C(C)C)nc1C	796756219	JYYOJQYTVKHSED-UHFFFAOYSA-N	318.329	3.851	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N[C@H]1C[C@@H]1c1cccnc1	798144962	DUZRTWFNSBPYIV-KFWWJZLASA-N	322.499	3.768	50	20	DHGD	
CC(C)(C)c1ccc(/C=C/C(=O)NNc2ncccc2F)cc1	804218764	FKVDBFKKLMTURA-DHZHZOJOSA-N	313.376	3.675	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)N(C)CC(Cl)Cl	808246808	KLMFHVDGVJVRDB-NSHDSACASA-N	306.258	3.819	50	20	DHGD	
N#C/C(=C/c1cccc2nccn12)c1cc(C(F)(F)F)ccn1	812246531	NQRCXEFIWNYWHW-FLIBITNWSA-N	314.270	3.812	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)c2ccsc2)c1	814990719	AQVJEDLPESXSPW-UHFFFAOYSA-N	323.805	3.956	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cccc(Cl)n2)s1	820298399	QIMRBLPEFIWMFQ-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
CC(C)(O)C(C)(C)CNCc1ccc(OCCCCl)cc1	825201309	JRMVHILHGGXUEI-UHFFFAOYSA-N	313.869	3.581	50	20	DHGD	
CC1CC(C(=O)NNc2ccccn2)(c2cccc(Cl)c2)C1	827887483	LMOJARPFEPPFPP-UHFFFAOYSA-N	315.804	3.546	50	20	DHGD	
NCc1cccc(NC(=O)CCCC[C@@H]2CCSS2)c1	832223803	WEBCSHUKFUHRBC-CQSZACIVSA-N	310.488	3.798	50	20	DHGD	
Cc1cc(N)cc(CNC(=O)CCCC[C@@H]2CCSS2)c1	834854196	RQRBJDJNCPSOFW-OAHLLOKOSA-N	324.515	3.908	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1cnn(C(C)C)c1	836440967	VRTJZFJQVWXSSS-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
C[C@@H](c1ccc(C(=O)N2CC=C(C#N)CC2)cc1)C(F)(F)F	836781364	GRITUUBLUWEJMG-NSHDSACASA-N	308.303	3.648	50	20	DHGD	
O=C(NC[C@@H]1CCCCC1(F)F)NNc1ccccc1Cl	838635577	DQUBZTYBWBMVHQ-JTQLQIEISA-N	317.767	3.792	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)C(=O)c2ccc(C(C)(C)C)cc2)n1	840732912	JEYGSJZVLYQFGH-PTNGSMBKSA-N	322.412	3.694	50	20	DHGD	
N#C/C(=C\c1ccnn1CC1CC1)c1cc(C(F)(F)F)ccn1	849251200	ZHOJJRHOIATTFU-KPKJPENVSA-N	318.302	3.771	50	20	DHGD	
C[C@@H](CC(=O)OC[C@@H](CBr)C1CC1)c1ccco1	859814119	FJTSAOQVDCSKEU-CMPLNLGQSA-N	315.207	3.738	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2cc(Cl)ccc2F)C1	871271522	QVMFQYMVSAVMLX-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1c[nH]cc1C1CC1	878091183	XTLWPGFXZFCEBR-UHFFFAOYSA-N	309.291	3.668	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)C(C)(C)F)c1Br	899345937	YQZPILIGSJKVMG-XFFZJAGNSA-N	310.166	3.982	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCc2ccc(F)cc2)c(C)c1	903952098	KLQQUZLLXJZTPI-UHFFFAOYSA-N	315.392	3.620	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)c1cccc(Cl)c1	916279134	QYJUFDORFHRXKI-UHFFFAOYSA-N	316.788	3.784	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)cc2)cc1	916650413	MUARQLOQEZIJPH-MHWRWJLKSA-N	310.784	3.872	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C2/COc3ccc(F)cc32)c(C)c1	918154220	HEEBODPLIGWPPG-NXVVXOECSA-N	322.339	3.751	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCCC[C@H]2C)c1	920431292	WLONMHSTKKREPC-KGLIPLIRSA-N	319.474	3.529	50	20	DHGD	
CN(NC(=O)C1(c2ccccc2F)CCCC1)c1ccccc1	920862796	KWRFSBLKVJUUDB-UHFFFAOYSA-N	312.388	3.805	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1ccc(C)c(Cl)c1	1116346360	IMUNJKHZICBERT-UHFFFAOYSA-N	312.841	3.813	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H]1c1ccccn1	1337088263	WRYBFYDLPFDVOF-MRXNPFEDSA-N	300.789	3.798	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC([C@@H]2CCCCO2)CC1	1353739361	XXNLEAWMEJOYPL-KRWDZBQOSA-N	321.848	3.847	50	20	DHGD	
CCC(C)(C)C=NNC(=O)[C@H]1CCCO[C@@H]1c1ccccc1	1549084666	UGROHCLSQLGCQR-JKSUJKDBSA-N	302.418	3.693	50	20	DHGD	
CC(C)C(=NNC(=O)c1ccc(C(=O)O)cc1)C1CCCCC1	1776099646	RSOOYPSXCJKPPU-UHFFFAOYSA-N	316.401	3.707	50	20	DHGD	
CC(C)c1ccc(C(=O)NNC(=O)c2ccccc2Cl)cc1	10451840	FUDQJGGJUIRFMM-UHFFFAOYSA-N	316.788	3.538	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1cccc(C)c1	33362168	CMUOVAJDGJKXNY-VBKFSLOCSA-N	306.365	3.939	50	20	DHGD	
Cc1cc(F)ccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	131069035	RIBWGRBAVJQBPX-FMNVXAMXSA-N	308.356	3.919	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cn(C)nc2C)cc1	158739466	UXMJSXDTMDEGRP-RKPNYOAGSA-N	322.412	3.788	50	20	DHGD	
CCCn1ncc(C(=O)NNc2cc(C)cc(C)c2)c1C1CC1	158935609	GITMGUXFWREQGA-UHFFFAOYSA-N	312.417	3.544	50	20	DHGD	
CC(C)[C@@H](C(=O)NNC(=O)CC(C)(C)C)c1cccc(Cl)c1	175262096	FOVGMDUNDZOGRN-OAHLLOKOSA-N	324.852	3.663	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1ccccc1C(F)(F)F	191699897	IGSWQHWXHRRMHO-UHFFFAOYSA-N	316.323	3.544	50	20	DHGD	
CC(C)(C)c1ccc(OCC(=O)NN=C[C@H]2CC=CCC2)cc1	254479005	IGNBEDGYRVPNCA-HNNXBMFYSA-N	314.429	3.821	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(Cl)cc1	254484676	GBDLUGDZKHILOD-UHFFFAOYSA-N	315.804	3.601	50	20	DHGD	aggregator
N#C/C(=C/c1cccc(CCl)c1)C(=O)NCc1ccccc1	491087309	WUWXCDAOHIMRHE-YVLHZVERSA-N	310.784	3.649	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1cc(F)ccc1O)c1ccccc1	731930888	QWSGPFLSSIQNLQ-OAHLLOKOSA-N	314.360	3.565	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cnc2ccsc2c1	746695985	VKBZFDUQAAPIJE-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c(F)cc1F	748792187	PTVWHEPYWZOAMJ-UHFFFAOYSA-N	307.252	3.709	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cnc2cccc(C)n12	748999032	UYYPNKIDBZDQDF-JYRVWZFOSA-N	307.378	3.803	50	20	DHGD	
COc1cccc(CN(C)/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)c1	750033059	MAWBQILLCKHXPA-ZDLGFXPLSA-N	323.352	3.600	50	20	DHGD	
C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	750797260	XKYOGQBZZPYKEC-ZDPCBIFWSA-N	309.457	3.888	50	20	DHGD	
Cc1cc(F)ccc1C=NNC(=O)Cc1cccc2ccccc12	750932834	QQDMNMHWPSTOSY-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2Cl)c(C)n1C	754917780	MPNVAGUUFJTRNX-UHFFFAOYSA-N	324.211	3.713	50	20	DHGD	
CCC(Cc1ccc(OC)c(OC)c1)=NNC(=O)OC(C)(C)C	763337229	AXVNRQWPUXVOEJ-UHFFFAOYSA-N	322.405	3.537	50	20	DHGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C/C=C/c1ccco1	773095565	ZCJHQXRJYWPQPS-GOCUAEHSSA-N	318.760	3.516	50	20	DHGD	
CC(C)[C@H]1CN(S(=O)(=O)CCCCCl)c2ccccc21	773284388	QSKKWMZZNDWXHG-CQSZACIVSA-N	315.866	3.595	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2c(C)cc(C)cc2C)cc1C	778392319	KMTQMXNHCXEJLJ-AWEZNQCLSA-N	314.433	3.845	50	20	DHGD	
C[C@@H]1C(=NNC(=O)c2cc(-c3ccccc3)on2)CCC[C@H]1C	781123744	HOETWIOUOIYVLB-OLZOCXBDSA-N	311.385	3.884	50	20	DHGD	
Cc1cc(Cl)c(C(=O)NNc2ccc(Cl)nc2)cc1C	781426791	GUGLLKNGLCTDME-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(C(=O)O)cs2)c1	782199426	DCCUMYLTPIETFA-AWNIVKPZSA-N	311.362	3.853	50	20	DHGD	
CC(C)(C#N)CCCOC(=O)[C@@H](Br)C(C)(C)C	784733154	MTVCBAMRYQRTSG-SNVBAGLBSA-N	304.228	3.669	50	20	DHGD	
C[C@@H](CCc1ccccc1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	784980125	JXRWISPKCHJUPR-LUJRCDHRSA-N	322.383	3.870	50	20	DHGD	
Cc1cccc(OCCOC(=O)/C(C#N)=C/c2ccccc2)c1	785363047	CESXRUDEXCRTST-GHRIWEEISA-N	307.349	3.524	50	20	DHGD	
Cc1ccc(COC(=O)/C(C#N)=C/C2CC2)cc1Br	786677458	HWISQVAKEQCOQU-AWNIVKPZSA-N	320.186	3.661	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccsc1Cl	790161776	IXHGFHYDWUUFHG-UHFFFAOYSA-N	306.818	3.875	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1cc(Cl)ccn1	792304254	VQWBBDXPOOPKSZ-UHFFFAOYSA-N	321.833	3.502	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc3occc3c2)cc1	794689782	CNFXNZJQVFZRJG-WOJGMQOQSA-N	316.360	3.965	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@@H]1CCCC[C@H]1C	799755680	PIPNGVXNDBUYGB-CZUORRHYSA-N	304.434	3.596	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	800521050	SSCGNISKXYCGHW-NSHDSACASA-N	318.339	3.897	50	20	DHGD	
C[C@H]1SCCC1=NNC(=O)c1cc2c(s1)CCCCC2	814767131	CISFTGKXJYPKAN-SNVBAGLBSA-N	308.472	3.628	50	20	DHGD	
O=C(CC1CC1)NN=Cc1cc(Cl)ccc1OC1CCCC1	814988620	OZMGKSPZRZNDOP-UHFFFAOYSA-N	320.820	3.912	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(OCC(F)(F)F)cc1	815855001	AIGLGCIDMYSWIK-UHFFFAOYSA-N	316.323	3.673	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)c1	827170471	TYDGAFLEWVEENY-MSOLQXFVSA-N	305.381	3.585	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OC[C@H]1C[C@H]2CC[C@H]1O2	835845060	JOSXLGUUZXXQFZ-YIYPIFLZSA-N	316.488	3.811	50	20	DHGD	
COCc1cnc(NC(=O)NNc2ccc(C(C)C)cc2)s1	836611634	QEAPVYGOWSREPN-UHFFFAOYSA-N	320.418	3.562	50	20	DHGD	
Cc1ncsc1CCC(=O)NNc1ccc(C(C)C)cc1	839788538	KDZFDARTQINYDW-UHFFFAOYSA-N	303.431	3.651	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cc2Cl)CS1	840419791	YAXGEKXIUXCPJK-VXNVDRBHSA-N	320.245	3.514	50	20	DHGD	
C[C@H](c1cnccn1)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852525234	WFXAWIXEAIPWMN-ZIAGYGMSSA-N	307.514	3.634	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(C(F)(F)F)cc2)C[C@H]2CC[C@H]1C2	860320617	SYOXGNCQVBMQPG-WBIUFABUSA-N	312.335	3.975	50	20	DHGD	
CC(C)Cc1cccc([C@H](C)C(=O)NN[C@H](C)C(F)(F)F)c1	862320919	XFPCCKIQFJSUBR-NWDGAFQWSA-N	316.367	3.560	50	20	DHGD	
COc1cc(Cl)c(/C=C(\C#N)C(=O)C(C)(C)F)cc1OC	864366466	SKLVDULIAMACBY-BJMVGYQFSA-N	311.740	3.581	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H](c1cccnc1)C(C)C	885127042	KWCNPSWGNKWKFK-INIZCTEOSA-N	317.820	3.926	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccccc2O)oc2ccccc12	916270029	NWBYHIFUDBDCQU-UHFFFAOYSA-N	322.364	3.855	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2ccc(Cl)c(C)c2)CCO1	928340265	VMINGAKJGOVPHV-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
Cc1nc(CNC(=O)CCCC[C@@H]2CCSS2)oc1C	1528910713	OBKNENDSSYCGPP-GFCCVEGCSA-N	314.476	3.622	50	20	DHGD	
CN(NC(=O)c1ccc(SC(F)F)cc1)c1ccccc1	10892046	CYGTUZWPRVBTBI-UHFFFAOYSA-N	308.353	3.783	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cccc(Cl)c1Cl	85682748	UQPZHHSEKOCVST-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccccc2Cl)cc1F	92425431	RCUHKDGETFGNMX-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CN(C)c1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	119898698	REEZFFJXYKWRNE-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
Cc1cc(OC(=O)Cc2cccc3cccnc23)ccc1[N+](=O)[O-]	121918538	SUYHEHCCBXXEPP-UHFFFAOYSA-N	322.320	3.600	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Br)cc2C)cc1	133016746	NHJAHGGTXJHWHL-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
COc1ccccc1SCC(=O)NNc1cc(C)cc(C)c1	134712604	WIOAHLOMCBPQKF-UHFFFAOYSA-N	316.426	3.547	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)NNc1ncccc1Cl	151746302	VDVPKLVPNMXMRV-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
O=C(CCc1cc(F)ccc1F)NNc1ccccc1Cl	158289491	BGQBGNGPGNETAD-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@@H]1CCCOC1	175638761	LPJOXPLMYLDMMY-CQSZACIVSA-N	318.442	3.750	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc2ccccc2o1	178518692	HTOCYMDXLSZGKG-UHFFFAOYSA-N	303.321	3.738	50	20	DHGD	
O=C(/C=C/c1cccnc1)NNc1ccc(Cl)cc1Cl	178870081	XEDZDNAEBFYAHL-ZZXKWVIFSA-N	308.168	3.545	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c(C)cc(C)nc2Cl)c1	182286197	JHSBKNSWZXFRIX-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)C)cc(Cl)c1OC	255027380	ONLJIQZTJBNKRB-SDQBBNPISA-N	307.777	3.879	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	490549102	AGLASIYVRDLVMV-GHXNOFRVSA-N	314.776	3.534	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2cnc(Cl)c(C)c2)c1	490726023	MPDSBQQBVFSIRF-RIYZIHGNSA-N	311.772	3.898	50	20	DHGD	
CCSc1ccccc1C(=O)NN=c1cc[nH]c2ccccc12	730288910	GNGBFWZQNGJGEM-UHFFFAOYSA-N	323.421	3.526	50	20	DHGD	
Cc1nc2c(s1)C(=NNC(=O)c1cccc(Cl)c1)CCC2	730946346	QXRJLKCLFLEUPC-UHFFFAOYSA-N	319.817	3.575	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc2cccc(F)c2o1	743336855	NZGBMMRNSSKRGS-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc(-c2cnco2)cc1	749271033	PEZYNVVXPQIKIO-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)/C=C(\C)c1ccccc1	751164900	LESSSJABWJOYTO-ZRDIBKRKSA-N	313.309	3.612	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756773218	WKGCQFPSSQTBIX-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
CCC1(C(=O)NNC(=O)c2ccc3ccccc3c2)CCCC1	756916480	COEGXGKLIVMTAG-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cc2ccccc2[nH]1	760151771	WQKHMYMLEGZWCC-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
O=C(NCc1ccco1)NN=Cc1c(Cl)oc2ccccc12	761261800	QMYXYADETLHLQV-UHFFFAOYSA-N	317.732	3.513	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccc(-c2ccccc2)nn1	761573043	RFHIEXXWLRKPIN-UHFFFAOYSA-N	312.417	3.803	50	20	DHGD	
O=C(NN=CCCC1CCOCC1)c1cccc2ccccc12	764908494	BTKQHYLUCOTHPJ-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1cccc(C#N)c1	768209611	RTHVWGAICMMZPU-GXFFZTMASA-N	323.234	3.545	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@@H]2c2ccccc2)cc1	769779652	GMAHZSXMQAXIHF-GOSISDBHSA-N	322.408	3.678	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)[C@H](F)c1ccccc1	775264447	CHAJEVDCEVRQCH-LLVKDONJSA-N	314.147	3.542	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)[C@H]1CCCOC1	779771180	HCKVVUJUSLDJNW-LBPRGKRZSA-N	309.797	3.572	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	779910057	LMGHXCLPVLQYCP-CMDGGOBGSA-N	315.200	3.501	50	20	DHGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)C(=O)C1CCCC1	781553021	HFPFTFDJGAEPFS-XGICHPGQSA-N	303.745	3.735	50	20	DHGD	
CN(NC(=O)N[C@H]1CC[C@@H](Cc2ccccc2)C1)c1ccccc1	782654677	QETJRFRIZJEFQU-ROUUACIJSA-N	323.440	3.748	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(C(C)C)nc2)ccc1Cl	790170821	CHWAOQAMUKUROW-UHFFFAOYSA-N	319.792	3.624	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(OC(F)F)cc1	793710244	KDGAXBPGFNTXOF-HNNXBMFYSA-N	300.349	3.948	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1oc2ccccc2c1C	794565925	BFYJJIPIBGBXAM-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
C=C(CBr)COC(=O)c1cnc(C(C)(C)C)s1	795465929	PCJRTFQOMVBRJL-UHFFFAOYSA-N	318.236	3.549	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1ccc(F)cc1F	799757551	CDWMCFNETOFMFN-UHFFFAOYSA-N	318.367	3.912	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(C)cc1-c1cnn(C)c1	801647762	OMSDQKKIZVSKCN-YBEGLDIGSA-N	323.396	3.646	50	20	DHGD	
CSSCCN=c1c(C#N)c[nH]c2ccc(Cl)cc12	804699080	CJGRBMKZTYGFOA-UHFFFAOYSA-N	309.847	3.605	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(C#N)c1Cl)C(=O)c1ccoc1	806557052	KTASNOSUZJHMGQ-VZUCSPMQSA-N	300.676	3.734	50	20	DHGD	
CN1CCCC12CCN(CCO[Si](C)(C)C(C)(C)C)CC2	808742790	HWIWNWLTAFDARM-UHFFFAOYSA-N	312.574	3.568	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2nccc3sccc23)s1	810405642	ICFAZYKXBOQPJZ-UHFFFAOYSA-N	317.439	3.742	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CC[C@H](C)C2)cc1	814703494	DFLUBVHKKLUVLK-ZDUSSCGKSA-N	309.413	4.000	50	20	DHGD	
CCC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccco1	814713412	ABNNATABEUZDEN-UHFFFAOYSA-N	307.353	3.680	50	20	DHGD	
C[C@]1(CC(=O)NNc2cccc(Cl)c2)CC1(Cl)Cl	822363189	SWTLHTLFCHCOFW-NSHDSACASA-N	307.608	3.757	50	20	DHGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)NCC(Cl)Cl	837643594	GKLWSKFTHQTSJM-UHFFFAOYSA-N	308.636	3.829	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2cccc(F)c2)c2ccccc2O1	839709501	RFOARFIFOLDZTK-HNNXBMFYSA-N	314.360	3.614	50	20	DHGD	
COc1ccnc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1	852522789	PLWVJZDNOKMYJH-MRXNPFEDSA-N	322.525	3.686	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2sccc2C)cc1F	856230351	MZWAZOIPUADNHO-CHWSQXEVSA-N	304.390	3.751	50	20	DHGD	
CC[C@H](NC[C@H](CBr)C1CC1)c1c(C)noc1C	859248758	JORGQUWWFDQUQR-STQMWFEESA-N	315.255	3.753	50	20	DHGD	
C[C@@H](NNC(=O)CCCCCc1ccc(F)cc1)C(F)(F)F	862319116	XKQRSKJOZGZLFW-LLVKDONJSA-N	320.330	3.500	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)N[C@H](C)c1cnccc1C	921759358	RLOSYUYRRGHJKO-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2ccc(F)c(Cl)c2)cc1	1317853760	SJLUMOMRWLHRDJ-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CC[C@H]1CCC[C@H](C=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045232	HAJXUVGFTHXGNY-STQMWFEESA-N	317.389	3.709	50	20	DHGD	
CN(C)c1ccc(NC(=O)NNc2ccccc2F)cc1Cl	92760626	MLRFSEAQVNEBFE-UHFFFAOYSA-N	322.771	3.694	50	20	DHGD	
C[C@H](Oc1ccccc1C(F)(F)F)C(=O)NNc1ccccc1	111553150	HTUTWVBOPJWFHK-NSHDSACASA-N	324.302	3.616	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)c1c(C)nn(CCCl)c1C	118766000	WEUYZURMRNHJBW-GFCCVEGCSA-N	313.873	3.827	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(OC(F)(F)F)cc2)oc1C	132833179	BDMQRMJVKLGIRZ-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(OC(F)(F)F)cc2)c1	134264180	IDZYJZNPHXSALA-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(F)cc1C(F)(F)F	152950980	MNSOXHPGTVTQRP-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)c(OC(F)F)c(C)c2)cc1	158898199	YDEAVNYMWGXSIK-UHFFFAOYSA-N	320.339	3.970	50	20	DHGD	
CC(C)(C)O[C@@H](C(=O)NNc1ccccc1F)c1ccccc1	161083843	FSORWIBAWRUTHT-MRXNPFEDSA-N	316.376	3.825	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccc3c(c2)OCCO3)ccc1[N+](=O)[O-]	180571626	PGUUQJAXTTWFLS-DHDCSXOGSA-N	322.320	3.739	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc2ccccc2[nH]1	181267718	LKCJBXVYDHQORP-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCc2ccccc2C1	182649237	BUHRCDBUPYNGOM-LDADJPATSA-N	320.367	3.708	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(Cl)nc1)c1ccccc1	266505956	GCNYUOJYYUYXKC-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)[C@H]1CCCOC1	280959946	KKZYHQAINQDPAA-SERMCNLOSA-N	315.756	3.989	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2F)s1	490639733	ZVPQVNKXZJNDHK-PKNBQFBNSA-N	300.358	3.995	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCc2sccc21	491138457	ZBDGCMISDFHJSG-DDKJEQMHSA-N	324.405	3.554	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnn(-c3ccccc3)c2)cc1	588467663	WVDRIWVDISQWKB-WQRHYEAKSA-N	313.360	3.971	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)C(C)(C)c2ccccc2)c1	731150840	NUKNQAGVVGHSTA-UHFFFAOYSA-N	322.408	3.679	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3ncccc3c2)c(C)c1	743765494	SPVRXNKSMVQMBX-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
COc1ccc([C@H](C)C(C)=NNC(=O)c2ccccc2F)cc1	747626452	YWBWUKQJLCUKJE-GFCCVEGCSA-N	314.360	3.744	50	20	DHGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)OC(C)(C)C)ccc1OC	749442605	BBKJCQAWYQTQLI-GFCCVEGCSA-N	322.405	3.731	50	20	DHGD	
Cc1nc(NC(=O)NNc2cc(Cl)ccc2Cl)oc1C	751993175	VUIDHNDKPVIBIO-UHFFFAOYSA-N	315.160	3.747	50	20	DHGD	
CC(CC1CC1)=NNC(=O)Cc1nc(-c2ccccc2)cs1	756823403	LWVPNWNBCNTVGI-UHFFFAOYSA-N	313.426	3.645	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C=C1CCCC1	762802476	FUHULVSSXWQDLV-UHFFFAOYSA-N	317.458	3.628	50	20	DHGD	
CCc1ccc(C(=O)NN=C2C[C@@H](OC(C)C)C2(C)C)cc1	764896481	PNBPUSQWMDAUJZ-MRXNPFEDSA-N	302.418	3.558	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)oc1C	768186000	SZWJDSQDPUZIGN-UHFFFAOYSA-N	323.274	3.544	50	20	DHGD	
Cn1ccc2cccc(NC(=O)[C@@H](Br)C(C)(C)C)c21	788553196	GTHFFMMNBLAOTK-CYBMUJFWSA-N	323.234	3.926	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)c1ccc(Cl)s1	795537656	HZDUVLJUQBIXMG-QMMMGPOBSA-N	323.639	3.999	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C)c(F)c(C)c1	795572761	GWJPSHNXUPGXBP-UHFFFAOYSA-N	301.155	3.550	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NC[C@@H]2CCC[C@@H]2C)cc1	799058762	CVVOODZPAVTXBD-OOIIRUBYSA-N	312.413	3.545	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1c(C)noc1C1CC1	799412152	QJTNCXSKFFSUTR-UHFFFAOYSA-N	314.389	3.880	50	20	DHGD	
CCNC(=O)NN=C(C)CC(C)(C)c1c[nH]c2ccccc12	799477693	FSJJANLNXPGNKY-UHFFFAOYSA-N	300.406	3.531	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)C1CCCCCCC1	805474996	JKHHBYWKNXIGBF-UHFFFAOYSA-N	302.422	3.548	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cccc(F)n2)cc1Cl	806680645	VXFSVUHXPASUDG-UHFFFAOYSA-N	308.744	3.585	50	20	DHGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NN(C)c1ccccc1	809984369	HBHVYLJPMRJGNZ-OUKQBFOZSA-N	300.789	3.911	50	20	DHGD	
Cc1cccc(CCNCc2ccc(OCCCCl)cc2)n1	811498382	SYVFDUMCJWCDCG-UHFFFAOYSA-N	318.848	3.730	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCCc3occc32)c2ccccc2n1	814714088	QREQHVVMFTVUEC-UHFFFAOYSA-N	319.364	3.607	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2ccc3oncc3c2)cc1	814742001	VVJPGWPOVGGAGR-UHFFFAOYSA-N	321.380	3.889	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1cc(-c2ccccc2)on1	814789257	AJMODWSWBGTFBE-AWEZNQCLSA-N	309.369	3.638	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CC=CCC2)c(C(F)(F)F)c1	816702176	BEBLAHACQOWXCJ-SNVBAGLBSA-N	314.307	3.513	50	20	DHGD	
O=C(NN=C1CCOC2(CCC2)C1)c1cccc2ccccc12	834962888	QQRVFGHIJCFKPN-UHFFFAOYSA-N	308.381	3.659	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C)cc2Cl)C1	836936082	YEQPMQBXYRHSPZ-OLZOCXBDSA-N	310.825	3.687	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3ccc(C(C)C)cc3)cc2n1C	837057673	HMZLIXLVYVSTPD-UHFFFAOYSA-N	322.412	3.762	50	20	DHGD	
CO[C@H](CC(=O)NNc1c(C)cccc1C(C)C)C(F)(F)F	846199625	WYZMAYWXTQNYPW-GFCCVEGCSA-N	318.339	3.529	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccnn2CC2CC2)ccc1[N+](=O)[O-]	849249443	IHWUAMDECYRJDG-DHDCSXOGSA-N	308.341	3.574	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1F	856231351	YEHZZBYPCGNFMO-GHMZBOCLSA-N	318.314	3.946	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2cc(C)cs2)C12CCCC2	863155614	RTZOVCTWNCZAAW-AWEZNQCLSA-N	306.431	3.512	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(C(C)(C)C)cc1	917551548	RCYKCEICIIGIFS-UHFFFAOYSA-N	300.324	3.777	50	20	DHGD	
CCC(=O)NN=C(C)c1ccc(-c2ccccc2[N+](=O)[O-])s1	917569630	VQZXAQBUZZPJDQ-UHFFFAOYSA-N	317.370	3.574	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C/C=C\c3ccco3)cc2C1	920367777	QALSTFKGAZMMBK-JEPMVCBISA-N	314.410	3.895	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2C)CCO1	928336822	DNYBBQUCQSQBPV-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(NNC(=O)c2ncsc2C(C)C)ccc1Cl	928339906	NXKYJATVZPHNBJ-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cccnc2N(C)C)cc1	1117351045	NMNNCDPCFBNQDB-AQTBWJFISA-N	319.408	3.890	50	20	DHGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC(=O)CCl)s2)cc1	1319674993	SWSVZQJAYWUMRH-SECBINFHSA-N	324.833	3.543	50	20	DHGD	
O=C(N[C@@H](C1CCC1)[C@H]1CCCO1)c1cccc(CCl)c1	1339118530	WMTSSEYKHOCNEX-CVEARBPZSA-N	307.821	3.503	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)c1ccccc1Cl	1339480037	QJLBVKPQWPOKEW-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
O=C1CCN(C(=O)C2CCC(Cl)CC2)[C@@H](c2ccccc2)C1	1521614915	BMIGXUZYODCJDY-VMBOVVBDSA-N	319.832	3.717	50	20	DHGD	
CCCCOC1CCN(C(=O)C2CCC(Cl)CC2)CC1	1548659474	LWRDWKNVSSUPIJ-UHFFFAOYSA-N	301.858	3.592	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1csc(C2CC2)n1	66405737	WZZWZIJYYRJTCR-JYRVWZFOSA-N	309.394	3.875	50	20	DHGD	
CCC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)CCO1	89472769	GLVIWUHXZJOYTN-ZIAGYGMSSA-N	317.520	3.728	50	20	DHGD	
CC(C)n1cnnc1[C@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	93202086	DXNHNQLXLZYZSO-DKFVHQPUSA-N	321.428	3.603	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)c(C)n1C(C)C	118515127	BGCOHVNFXXMEEN-UHFFFAOYSA-N	307.344	3.721	50	20	DHGD	
O=C(Cc1ccc(F)c(F)c1)NNc1cccc2c1CCCC2	119996599	JXYKRNKHVIDQNX-UHFFFAOYSA-N	316.351	3.529	50	20	DHGD	
Cc1cc(NNC(=O)C(C2CC2)C2CC2)ccc1Br	151837001	WQTGHRYXIFVUHH-UHFFFAOYSA-N	323.234	3.637	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2nc(C(F)(F)F)cs2)C1	152876853	ZEHYBYWHXIWJPE-BDAKNGLRSA-N	321.368	3.821	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@H](c1ccccc1)C1CC1	172470242	WBCZJJAYIYRYND-OAHLLOKOSA-N	317.339	3.742	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1ccc(C#N)o1	174055071	ZNUUTKNEIDCJFN-XYOKQWHBSA-N	301.305	3.731	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CC[C@@H]2CCCCO2)cc1	181143491	MXHABXDSMBJWIH-INIZCTEOSA-N	304.434	3.777	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc2c(c1)OCCO2	193347771	CZXSTUSJTLNTPA-JYRVWZFOSA-N	311.362	3.618	50	20	DHGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)[C@@H]1CCCOC1	280970608	LGXWNDQELUTGEY-HDAJJNEKSA-N	318.376	3.651	50	20	DHGD	
Cc1cc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cnc1Cl	588431180	CVKUOIHKEAPMAX-KPKJPENVSA-N	315.735	3.728	50	20	DHGD	
COc1ccc(NNC(=O)Cc2ccc(CC(C)C)cc2)cc1	729273281	JQDJWARYKHYQOG-UHFFFAOYSA-N	312.413	3.580	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1cccc(Cl)c1Cl	735461447	HXVFSVRIAITIRP-URLRMUCDSA-N	313.184	3.615	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	743816991	XZSMCVAFNOQHKY-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
C[C@H](C=NNC(=O)c1cccc2cccnc12)c1ccccc1	747355913	HIXJFXIPDRKCFP-CQSZACIVSA-N	303.365	3.754	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccnc(Cl)c2)cc1	750632742	WTUJFQBBLCTQEZ-NVNXTCNLSA-N	312.756	3.694	50	20	DHGD	
CC[C@@H](CC(=O)NN(C)c1ccccc1)c1ccc(OC)cc1	752610099	IKCFMKIITNGSMF-HNNXBMFYSA-N	312.413	3.747	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)[C@H]1CC[C@H](C(C)C)CC1	753288380	SAEZPFLOZYPYCW-SHTZXODSSA-N	317.433	3.610	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)COc1ccc(Cl)cc1Cl	755465808	QJCFNNXMIFHBGU-SECBINFHSA-N	303.189	3.520	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ncccc1C(F)(F)F	761569933	WGLRFBPJMOAOJN-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1ccc(Cl)cc1Cl	773481584	KGVCFAHMCNRMOU-MRVPVSSYSA-N	307.246	3.968	50	20	DHGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1ccccc1C(F)(F)F	775776610	IQNLMLFOSBZXQM-RISCZKNCSA-N	300.324	3.831	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1cccc2c1CCCC2	776616722	RHSZHSGQLRSTFC-VBKFSLOCSA-N	318.376	3.817	50	20	DHGD	
O=C(Cc1cccnc1)NN=C1CC=C(c2ccc(F)cc2)CC1	776768041	CGHNISKMBZQGIC-UHFFFAOYSA-N	323.371	3.503	50	20	DHGD	
N#CC1=CCN(Cc2ccc(Cl)c(Br)c2)CC1	780897003	LWCJLLMKLYUPBS-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
CC(C)(C(=O)NNc1ccnc(F)c1)c1ccc2ccccc2c1	781359183	GZIBQZYRQHIJAS-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
Cc1cccc(OCCOC(=O)/C(C#N)=C\c2ccccc2)c1	785363559	CESXRUDEXCRTST-LGMDPLHJSA-N	307.349	3.524	50	20	DHGD	
C[C@@H]1Cc2ccccc2N(C(=O)/C(C#N)=C\c2ccc(O)cc2)C1	787325207	JJGQKJUESLRXPT-RQNDZEIBSA-N	318.376	3.525	50	20	DHGD	
CCc1cncc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	790062862	JJWRXZKVCWCEPR-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	795192682	NEUXCRRVRJBORT-UHFFFAOYSA-N	323.736	3.722	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)C(=O)c2ccoc2)c1	806557354	SLUGWHNHJYWXGW-QPEQYQDCSA-N	315.712	3.509	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	812240087	JEHMOGNKADPVKW-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1c[nH]c2ccccc12	812380228	IQPGMPCDRBUNRQ-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
CCOCC(C)(C)CNC(=O)NNc1ccc(C(C)(C)C)cc1	812435855	XOHLWNSGWVWYKK-UHFFFAOYSA-N	321.465	3.673	50	20	DHGD	
COC[C@@H](C)[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	813051371	MDQOVZOKXKVNOA-VXGBXAGGSA-N	317.341	3.572	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C\Sc2ccccc2)cc1	817896519	ZVYSNWWNPGCKLM-SEYXRHQNSA-N	314.410	3.834	50	20	DHGD	
C#CCCOc1ccc(C(=O)NNc2c(C)cccc2CC)cc1	831243605	QTHMGUWRUKYAPE-UHFFFAOYSA-N	322.408	3.716	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2ccc(C(C)C)cc2)c1C	837057276	CIBILQXKYKMSPW-UHFFFAOYSA-N	313.401	3.714	50	20	DHGD	
COc1ccc(NNC(=O)C2CC(C)(C)C2)c(C(F)(F)F)c1	857264480	BCLUFVGSBSWLBK-UHFFFAOYSA-N	316.323	3.593	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NN[C@@H](C)C(F)(F)F	862318345	SBHDYJQMHGOXGO-GRYCIOLGSA-N	314.351	3.548	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CC[C@@H]1CCc2ccccc21	908221906	DTLYPHAGFWLZRW-LBPRGKRZSA-N	300.229	3.759	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2C)c1	1317903732	CRJIQZGCMUTQQI-SFQUDFHCSA-N	321.376	3.810	50	20	DHGD	
CC(C)CN(Cc1ccccc1Br)C(=O)CCl	1319682815	XXEPZUOVQBCTRJ-UHFFFAOYSA-N	318.642	3.673	50	20	DHGD	
C[C@]1(CNC(=O)c2cccc(CCl)c2)CCOC2(CCC2)C1	1336054158	SAIOFTRINOJJMU-KRWDZBQOSA-N	321.848	3.895	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(C)c(C(=O)O)c1	1595631999	MYIMHKQZHKKWLT-ZDUSSCGKSA-N	306.406	3.743	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C1C2CC3CC(C2)CC1C3	60742272	MNGKXSHZUMTZNI-UHFFFAOYSA-N	304.821	3.855	50	20	DHGD	
Cc1noc([C@H](C)OC(=O)CCCC[C@@H]2CCSS2)n1	78824715	HQFJNJBLBHCYIB-GXSJLCMTSA-N	316.448	3.696	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@H](C)CCCC(C)C	114112641	VAJBAJFEFPNOCR-GFCCVEGCSA-N	313.873	3.683	50	20	DHGD	
Cc1cccc(OC(F)F)c1NC(=O)NNc1ccccc1	120477045	XBWIUIVGNZZNRW-UHFFFAOYSA-N	307.300	3.745	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2coc(-c3ccccc3)n2)c1	127161870	LPDOCIZUNMMIDI-UHFFFAOYSA-N	321.380	3.644	50	20	DHGD	
C[C@H](CBr)CN(C)Cc1ccc(OC(F)F)cc1	133534078	OTKHHMRMDLWYSN-SNVBAGLBSA-N	322.193	3.751	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H](c2ccccc2)C(C)C)c1	156065054	RDYRLMXLAKMJRJ-QGZVFWFLSA-N	316.376	3.717	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	159456857	JMCVHCRBSONCAA-XXTMNZORSA-N	323.396	3.665	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1c(F)cc(F)cc1F	159739994	NZMSAVWIQGCNKG-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)[C@@H](C)CC)cc1	171970056	AGDXOSACMYTUEY-DWSHKFMRSA-N	300.402	3.543	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCC1(c2cccs2)CCCCC1	178968273	UQPXAAJGRGZEPB-WYMLVPIESA-N	318.442	3.510	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cnc2ccccc2c1	181984192	IWDPMDCRFAZVIY-OQLLNIDSSA-N	317.323	3.920	50	20	DHGD	
N#C/C(=C/c1csnn1)c1nc2cc(Cl)ccc2s1	193343299	OPTJTUOUOXFWLP-CLTKARDFSA-N	304.787	3.865	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cccc(Cl)c2)c1	205639573	DLJIYDSLNYARMX-JYRVWZFOSA-N	312.756	3.894	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2cc1O)c1ccc(F)cc1	254387687	SCXSRBFVQLHMBV-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1c(F)cccc1F	255115791	ULYZQJPBAWQEHU-KHPPLWFESA-N	318.323	3.520	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc3ccc(C)cn23)cc1	588467688	FRSJUHWPYAJEGT-SXGWCWSVSA-N	301.349	3.741	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2Cl)o1	588555289	RIFRONNRJFCJKA-XFXZXTDPSA-N	321.785	3.899	50	20	DHGD	
CCOC(=O)NN=C(C)c1csc(-c2csc(C)n2)c1	729140310	BBQHMXGYHFRBOH-UHFFFAOYSA-N	309.416	3.650	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cc(C)cc(C)c1	734094421	OBEQDGMWSFGREF-UHFFFAOYSA-N	316.788	3.816	50	20	DHGD	
COCc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1	741851986	HRZGSTLIMSJUSJ-LFIBNONCSA-N	303.365	3.784	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	741930319	PYZRLARZFCRARH-RDJZCZTQSA-N	318.461	3.934	50	20	DHGD	
Cc1nn(C(C)(C)C)c(C)c1C(=O)NNc1ccccc1Cl	748332083	KOKMENRBTYFJBK-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(F)cc1F	749818568	YVXKWGQGBNARPQ-UHFFFAOYSA-N	314.291	3.865	50	20	DHGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNC(=O)CC(C)(C)C)cc1	757920763	FHZOUULIBCLQJW-AWEZNQCLSA-N	318.461	3.572	50	20	DHGD	
C[C@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1(C)C	760132655	DYBADWHFOQDGDT-LERPTODRSA-N	300.377	3.627	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)cs1)C(=O)c1c[nH]c2ccccc12	765827775	YHDWNEJXIBFNFR-YHYXMXQVSA-N	322.345	3.717	50	20	DHGD	
Cc1cc(C(=O)NN=C[C@H](C)CCC#N)c(C)n1-c1ccccc1	765993682	PZEADFSYQLNYSU-CQSZACIVSA-N	322.412	3.750	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2nc(C)cc(C)n2)c(Cl)c1	769931993	IUAQHYTURPSUIK-UHFFFAOYSA-N	319.796	3.512	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cccc2[nH]ccc12	769992930	LXUBIGRSCVWDFG-UHFFFAOYSA-N	320.274	3.734	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@@H](C)c1ccc(F)cc1	770371645	BIKPUSXYWRQBQL-GHMZBOCLSA-N	317.198	3.894	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	778448932	SSKQWFWYBGRGJZ-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)c1ccccc1F	780159956	STLUCENOCJGINF-KRWDZBQOSA-N	308.397	3.583	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1Oc1ccccc1)C(F)F	782235048	PTDCJNKEKHODFK-UHFFFAOYSA-N	324.714	3.848	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1ccc(OC)cc1	790642351	SKZVWSHEIXNIFU-UHFFFAOYSA-N	316.426	3.705	50	20	DHGD	
C=C(CBr)CN1CCC(C)(c2ccccc2)CC1	791483896	RGSIIYXDLHHFDD-UHFFFAOYSA-N	308.263	3.991	50	20	DHGD	
N#C/C(=C\c1ccccc1Br)C(=O)c1ccoc1	798230856	TZCYOIBTPJCEHO-KPKJPENVSA-N	302.127	3.832	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccncc2C(F)(F)F)c(C)c1	800692436	PZDRWSBZMGUNIT-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(C(F)(F)F)[nH]1)c1ccccc1	807971155	KOYXFCUTMLOJNX-ZDUSSCGKSA-N	323.318	3.677	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(O)ccc2[N+](=O)[O-])cc1C	809160218	JYWYZEFPRVRQGY-OVCLIPMQSA-N	322.320	3.707	50	20	DHGD	
C[C@@H](CNCc1ccc(OCCCCl)cc1)N1CCCCC1	811475001	GWMABAWNRFAVKV-INIZCTEOSA-N	324.896	3.658	50	20	DHGD	
O=C(NN=Cc1ccc(C2CCC2)cc1)c1cccc([N+](=O)[O-])c1	814684452	ULGVMQIFANQMHY-UHFFFAOYSA-N	323.352	3.626	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccccc1OCc1ccccc1	814987869	HLDDKJDOJGEQAQ-UHFFFAOYSA-N	308.381	3.516	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	817005164	HOXBMTXMSLLNCN-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C(/C)c2ccc(F)cc2)cc1	817911156	KULLBPZQDGPEDK-SEYXRHQNSA-N	314.360	3.771	50	20	DHGD	
CO[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)C[C@@H]1C	824821343	YNSHJTOUDUIRKX-WMLDXEAASA-N	311.853	3.551	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)c(F)c1	849179046	JWCRXKDAKRUKII-XYOKQWHBSA-N	303.333	3.525	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cccc(Cl)c1Br	872343541	FTNQLWKDOLESBP-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2ccccn2)C1	891544877	RXXIOCOLHUDRFR-CQSZACIVSA-N	320.509	3.708	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1Cl)NC1CCCCC1	916299329	HLGKSEHBUKBGKM-UHFFFAOYSA-N	314.216	3.959	50	20	DHGD	
C[C@@H](C=NNC(=O)COc1ccc(Cl)cc1)c1ccccc1	916301750	BXVREXZYCUSTNN-ZDUSSCGKSA-N	316.788	3.625	50	20	DHGD	
C[C@@H](Oc1ccc2ccccc2c1)C(=O)NN=Cc1ccsc1	916336152	WNQPAHYTYSDXNK-CYBMUJFWSA-N	324.405	3.819	50	20	DHGD	
O=C(NN=Cc1ccco1)c1cc2c(s1)CCCCCC2	916350531	QZCBSGYVSOUSQM-UHFFFAOYSA-N	302.399	3.764	50	20	DHGD	
CC(C)[C@H](CNC(=O)NNc1ccc(F)cc1)c1ccccc1	916625252	FLSZPVKCJAPYSG-KRWDZBQOSA-N	315.392	3.892	50	20	DHGD	
COc1cccc([C@@H](C)NC(=O)NNc2ccccc2Cl)c1	918108206	ARGHPRUQWGYHED-LLVKDONJSA-N	319.792	3.736	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2csc3ccccc23)cc1	1317930587	VPLFHKQYXPWMEI-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(Cl)c1)c1ccc(F)cc1F	1318829588	BDPZREDTVRJJIO-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc2c1CNC2	1341623078	MVMVUMAIXRYHJM-ZDUSSCGKSA-N	322.499	3.942	50	20	DHGD	
CC(=O)Nc1cccc([C@H](C)NC(=O)C2CCC(Cl)CC2)c1	1346151964	DFVUJUFGBALFBI-ZOODHJKOSA-N	322.836	3.620	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)c2nc(C)cs2)c1	55038413	LKETZSCHIFTOFO-ZSOIEALJSA-N	300.383	3.541	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(Cl)cc1F	118515864	VRBXNOXRYIOICU-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)c1csc2ccccc12	134126222	WDWZQQBSXIJWFU-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
Cc1ccccc1OCC(=O)NNc1ccc(C(F)(F)F)cc1	153652908	TVBXXDCFEANMRD-UHFFFAOYSA-N	324.302	3.536	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccncc1Cl)c1ccccc1	154538764	MKAMNTSBAOFYFL-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCC[C@H]1CCCO1	177934159	WFRDRRQGMYUROV-OLZOCXBDSA-N	304.477	3.813	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc(Cl)c(F)c1	179269966	FLTBVOXKRQFEDF-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2ccccc2Cl)cc1C	180774189	HNQPUWISXHBTLD-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)C1(c2ccccc2)CCC1	181156126	FMYILVXJUWWKKQ-UHFFFAOYSA-N	317.392	3.800	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc(C)c(C)s1	181268693	VMZHVOSKJXGWLC-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1	255032601	XEMIFWVSKLCFID-VUFYJBQKSA-N	320.392	3.617	50	20	DHGD	
CC[C@@H](C)c1ccccc1NC(=O)[C@@H](C)N1CC=C(C#N)CC1	272654015	NLZAACDWUGYCRS-HUUCEWRRSA-N	311.429	3.683	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccc2c(O)nccc2c1	285654617	JKDAPYGNJTZXMW-ZDUSSCGKSA-N	315.417	3.990	50	20	DHGD	
O=C(Nc1ccc(N2CCCC2)nc1)c1cccc(CCl)c1	387245593	RFTQPIIBADWVOB-UHFFFAOYSA-N	315.804	3.673	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC[C@H]2C)cc1	729140698	LSOLCCWBEQRJPX-CYBMUJFWSA-N	309.413	4.000	50	20	DHGD	
C/C(C=NNC(=O)c1cn(C)c2ccccc12)=C/c1ccccc1	744780930	MJMFLOUDOHBBMJ-WZHGQUPOSA-N	317.392	3.997	50	20	DHGD	
CCCCCCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	746893420	AREWIGCAGKFXEL-UHFFFAOYSA-N	313.323	3.991	50	20	DHGD	
N#Cc1ccc(NNC(=O)[C@@H]2CC23CCCC3)cc1C(F)(F)F	747516903	QPEYMGOPYDDGML-ZDUSSCGKSA-N	323.318	3.600	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C/C=C\c1ccc(F)cc1	747751200	IWWJGMHETYGMRG-CEZVLOMUSA-N	321.355	3.596	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1cc(C)cc(C)c1	748380756	RXMNNWJJVUBQSC-QGZVFWFLSA-N	304.434	3.874	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc4c(c3)CCN4C)[nH]c12	751523791	KVHPZVPMHFMSCG-LFIBNONCSA-N	314.392	3.928	50	20	DHGD	
O=C(CC[C@H]1CCCCO1)NNc1cc(Cl)ccc1Cl	752810587	KLQCCPQXZBIPKE-LLVKDONJSA-N	317.216	3.786	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1c(F)cccc1F	752817180	RRLXYPRSPYEGEP-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
C[C@H](C=NNC(=O)Cn1ccc2ccccc21)c1ccc(F)cc1	756889392	JKKGVGDFRTXTOU-CQSZACIVSA-N	323.371	3.686	50	20	DHGD	
CC(C)c1ccc(CC=NNC(=O)COCc2ccccc2)cc1	760249839	TZPXGHFXBCYFNV-UHFFFAOYSA-N	324.424	3.671	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@H]1CC12CCCCC2	768385701	UXECUBXZTRUENI-QWRGUYRKSA-N	302.256	3.635	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)CCC2CC2)cc1	769644205	GDDQKLIZSHAPRW-IQGJIOQQSA-N	312.413	3.687	50	20	DHGD	
C=C[C@H](CC(=O)OC[C@@H](C)CBr)c1ccccc1	770413600	VEFPBKUVLOZUCT-QWHCGFSZSA-N	311.219	3.921	50	20	DHGD	
COc1cc(/C(C#N)=C/c2sccc2OC)ccc1[N+](=O)[O-]	774560166	LCGPRPDXAUCKAF-DHZHZOJOSA-N	316.338	3.738	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)Nc1ccc(F)cc1	776965247	XGOMDOYQGSKNMJ-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
C=C(CBr)CN1CCc2[nH]c3ccc(C)cc3c2C1	791475091	JAKRROWVWMQREO-UHFFFAOYSA-N	319.246	3.786	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C)n(C(C)(C)C)n1	799757202	YLXVIPRXPJLLBZ-UHFFFAOYSA-N	314.433	3.574	50	20	DHGD	
CC(=O)OCC(C)(C)CC(=O)NNc1c(C)cccc1C(C)C	812766472	HSQQTUVYNSGGDQ-UHFFFAOYSA-N	320.433	3.541	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(NC2CC2)nc1	812769506	KHRATLPPKQWBGK-UHFFFAOYSA-N	324.428	3.845	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(F)cn1	812961324	VHNUKWAICLMENQ-UHFFFAOYSA-N	302.353	3.801	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2c(F)cccc2Cl)cc1	817882418	MLDFYGUCKLZVTB-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)C(F)(F)F	824391125	CVZQBQJIHPUUAB-YFKPBYRVSA-N	316.110	3.570	50	20	DHGD	
CC[C@@H]1CCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	828828056	DXOPPALAZRXMPB-SCZZXKLOSA-N	302.205	3.658	50	20	DHGD	
COCCC1(CNC[C@@]2(C)C[C@H]2Br)CCCCC1	856810503	YLEHQRGAOSFELA-ZIAGYGMSSA-N	318.299	3.737	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)CC)cc1OCCC	915915896	VMLNPPLZVRBTAE-UHFFFAOYSA-N	306.406	3.514	50	20	DHGD	
CCC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1	916287658	IVNRRMPWZBMCMB-UHFFFAOYSA-N	309.344	3.851	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1ccc(N2CCCCC2)c(F)c1	916342773	PHZWOKGVEZMMMQ-UHFFFAOYSA-N	319.424	3.702	50	20	DHGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)C(C)C	916359986	UBQGMQZYQBSPGG-UHFFFAOYSA-N	300.358	3.620	50	20	DHGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNc2ccc(F)cc2)c1	917004270	MUZAJRHDWDXXGL-CYBMUJFWSA-N	316.376	3.860	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(Cl)c(C)c2)c(C)n1	928338539	JZYXWPNUPSBITJ-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2ccc3c(c2)CCO3)c(C)c1	1323740702	BWIYUWMGRODESB-UHFFFAOYSA-N	324.424	3.623	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC[C@@](O)(c2ccccc2)C1	1331658803	INAHOYIEGCTHNZ-CBXNMNPBSA-N	304.393	3.535	50	20	DHGD	
O=C(NC[C@H]1CCCC12CCOCC2)c1cccc(CCl)c1	1551686566	JTARIKWMKBZMKZ-MRXNPFEDSA-N	321.848	3.752	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(C(=O)O)c1F)C1CCCCC1	1592251404	BYGCWKLIFJBRJG-LLVKDONJSA-N	322.380	3.574	50	20	DHGD	
O=C(CCC1CCCCCC1)NNc1ccc(F)c(C(=O)O)c1	1601265691	GKZGFQKHLFZPSH-UHFFFAOYSA-N	322.380	3.718	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1cccc(C(=O)O)c1F	1603790594	VKCZFEOGBNCTAB-UHFFFAOYSA-N	310.369	3.574	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccncc1F	78057981	LPMIGFYIYBVGMU-UHFFFAOYSA-N	307.328	3.704	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)Nc1ccc(Cl)c(Cl)c1	103174398	SZORJROTCYBWGD-UHFFFAOYSA-N	318.204	3.582	50	20	DHGD	
O=C(C[C@@H](c1ccccc1)C(F)(F)F)NNc1ccccc1	111554566	GXLLJHASALBXGV-AWEZNQCLSA-N	308.303	3.866	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccccc2OC(F)F)c1	126592737	LXHKXZMMGSXBOR-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cccc(-n3cccc3)c2)c1	150834347	SFXSOJILMPOAAQ-UHFFFAOYSA-N	309.344	3.682	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c[nH]nc2-c2ccccc2F)c1	158629928	IMYOMKNYTYCKSW-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CCOc1ncc(C(=O)NNc2cc(C)cc(C)c2)cc1Cl	158761534	KSLLGTRSXJCAEV-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
Cc1noc(C)c1[C@H](C)CC(=O)NNc1ccccc1Cl	161119442	ZCTAHOHGKBSNPJ-SECBINFHSA-N	307.781	3.582	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(\C#N)C(=O)N3CCCC3)s2)cc1	172043676	WHQSZLGWPVTFNU-XNTDXEJSSA-N	323.421	3.648	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(Cl)s1	175412395	DHCTWKAEGUMXJE-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@@H]1CCCc2occc21	182058242	UJWOCOHLCOLQDT-QSOAKEGCSA-N	310.328	3.519	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](CC(C)(C)C)c1ccccc1	269507149	ZLZXYAAYJFVAFI-QJPKHSJYSA-N	300.402	3.724	50	20	DHGD	
CCc1ccc(-c2ccc(C(=O)N3CC=C(C#N)CC3)o2)cc1	270911903	HMBNFECLIPVCBT-UHFFFAOYSA-N	306.365	3.805	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)[C@@H]1CCCOC1	281003962	NTLPIMDOSXRGCT-GGQLTLKSSA-N	310.180	3.896	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	281214078	SUXIDGOKQRUNBD-WQLSENKSSA-N	302.330	3.516	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(C)c(-c2ncco2)c1	375427573	RSKKEGDFCQGNKF-UHFFFAOYSA-N	323.443	3.783	50	20	DHGD	
Cc1ccsc1/C=C(\C#N)C(=O)NCc1ccc(F)c(F)c1	490702579	ZGGTVBCLHJTVOK-KPKJPENVSA-N	318.348	3.558	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cccc(F)c2C#N)c(C)c1	490974962	OGVBDABWDWSPFR-DHDCSXOGSA-N	319.339	3.860	50	20	DHGD	
C/C(C=NN(C)C(=O)OC(C)(C)C)=C/c1cccc([N+](=O)[O-])c1	492308387	QCMGQCGFIAULJB-DOYFYCROSA-N	319.361	3.851	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cn1	588577869	FCHXPAZKGYSGBE-ZROIWOOFSA-N	311.410	3.698	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(C)c1	728785751	LUFIHAZTBUKLSU-WJDWOHSUSA-N	322.412	3.599	50	20	DHGD	
Cc1cc(C=NNC(=O)CC2CCCC2)c(OC(F)F)cc1C	743437583	GEPZDDOEHLYRCP-UHFFFAOYSA-N	324.371	3.935	50	20	DHGD	
C[C@H]1CC/C(=C\C(=O)NNc2cccc(Br)c2)C1	748029946	DGBCCHLYRRROQJ-NGPGYTDTSA-N	309.207	3.639	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C#N)c(Cl)c2)c(C)s1	753301013	VMCZDGPLRHZWPC-UHFFFAOYSA-N	305.790	3.647	50	20	DHGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccoc1	755888551	WTOMKVJNIIGTNL-UHFFFAOYSA-N	324.336	3.606	50	20	DHGD	
CCC(=NNC(=O)CC(F)(F)F)c1cccc(Cl)c1F	763405771	GFSDCDGNPSHGBL-UHFFFAOYSA-N	310.678	3.662	50	20	DHGD	
Cc1ccc(O)c(C(=O)NNc2c(Cl)cccc2Cl)c1	764328753	KIYGVRCBMTXYGU-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(OCC#N)c2)cc1	764888824	YDUFNCXZELQEFY-GZTJUZNOSA-N	302.333	3.687	50	20	DHGD	
N#CSCCCNC(=O)C1(c2cccc(Cl)c2)CCCC1	773584143	ANSQPBIKKFJFOR-UHFFFAOYSA-N	322.861	3.872	50	20	DHGD	
Cc1ccncc1CCC=NNC(=O)c1ccc2ccccc2c1	776723119	CPDBZYQQVBXXMN-UHFFFAOYSA-N	317.392	3.892	50	20	DHGD	
CN(CC1(O)CCCCCC1)/C(=C\C#N)c1ccc(F)cc1	778287230	ZCRMCJWTMOOWHV-YVLHZVERSA-N	302.393	3.707	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)N1[C@H](C)CC[C@H]1C	780803939	SHFKHEIPYZBDLR-KFWWJZLASA-N	317.477	3.689	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	791213423	JVOYTQBOYUYEOC-QZTJIDSGSA-N	317.392	3.790	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	791224385	SGLQTMQJBVLCTG-UHFFFAOYSA-N	320.396	3.507	50	20	DHGD	
C=C(CBr)CN1[C@H](C)CO[C@@H](c2ccccc2)[C@H]1C	791458152	DYAQKESHAGCZEQ-IIAWOOMASA-N	324.262	3.788	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1cccc([N+](=O)[O-])c1	797397302	CCMFELLIFPFYSJ-NWDGAFQWSA-N	303.362	3.527	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)Cn1c(C)nc2ccccc21	807950787	XAEOBRSOVNAYLE-ZDUSSCGKSA-N	314.433	3.663	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1cc(C)c(C)o1	815006560	HFJNLVWZTDCIJU-UHFFFAOYSA-N	307.300	3.720	50	20	DHGD	
CCSc1ccc(Cl)cc1C(=O)NCCCSC#N	816539472	HJBWSTWOIBDOLU-UHFFFAOYSA-N	314.863	3.786	50	20	DHGD	
CC(C)[C@@H](SCc1ccccc1)C(=O)NCC(Cl)Cl	816604217	BLVZZFAVIXGYLI-CYBMUJFWSA-N	320.285	3.864	50	20	DHGD	
CN(C)C1CCC(NCc2ccc(OCCCCl)cc2)CC1	817416132	KNTQPAIIVLEDRN-UHFFFAOYSA-N	324.896	3.657	50	20	DHGD	
CCC(C)(C)OCC(=O)NNc1cc(Cl)cc(Cl)c1	837573389	SXHVOXVNKGCKHW-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
COC/C(C)=C\C(=O)NNc1c(Cl)cc(Cl)cc1Cl	844272060	SOGNOQRXBAPMLC-CLTKARDFSA-N	323.607	3.683	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1C[C@H]1CCCOC1	844350745	WPIUOZNJCCQHML-CVEARBPZSA-N	313.558	3.899	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2ccc(F)cn2)C1	852523994	DYDVIAHZMWQTBC-OAHLLOKOSA-N	310.489	3.817	50	20	DHGD	
CC1(C)CN(C[C@H](CBr)C2CC2)[C@@H]1c1cccnc1	859362041	PUBLBFSAVSCTFB-LSDHHAIUSA-N	323.278	3.886	50	20	DHGD	
CSCCC=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1	864314068	GFGJDZIVWUMBJN-UHFFFAOYSA-N	315.442	3.563	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C2(c3ccccn3)CC2)cc1	867290923	DMNOTCZUVNWEQI-UHFFFAOYSA-N	309.413	3.554	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccccc1SC(F)(F)F	901234993	RTSOTKVXVYVJFX-UHFFFAOYSA-N	306.309	3.721	50	20	DHGD	
CC(=NNC(=O)c1ccc(COc2ccccc2)o1)c1ccco1	916359740	MUIQNRMFERZQJQ-UHFFFAOYSA-N	324.336	3.606	50	20	DHGD	
O=C(NN=C1COc2ccc(F)cc21)c1ccc2ccccc2c1	918153038	SIPBIIYUSMYRPZ-UHFFFAOYSA-N	320.323	3.505	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1csc(C(C)(C)C)n1	920374463	FSBCUYADVJQFQC-UHFFFAOYSA-N	316.430	3.905	50	20	DHGD	
Cc1ccc(NNC(=O)CO[C@@H]2CCCC[C@H]2C)cc1Cl	1321785787	HDAINRNYAMNYRB-IUODEOHRSA-N	310.825	3.687	50	20	DHGD	
CC1(C)CCCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045985	VWHYMMOQZVHLSK-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
COc1cc(C(=O)O)ccc1/C=C(/C#N)c1nc2ccccc2o1	1777269990	VBODTCZUBKODIS-JYRVWZFOSA-N	320.304	3.599	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)c(OC)c1	7211029	OSLGBFNGNNOWLU-XNTDXEJSSA-N	307.349	3.802	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc(-n2cccc2)cc1	30612640	UAVILTWAJQJOHR-UHFFFAOYSA-N	311.772	3.888	50	20	DHGD	
CCc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(O)cc1	41694647	NCCLGZTZZBVZKN-LFIBNONCSA-N	306.365	3.809	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1cc[nH]c1	68227812	RNGCECNJQUTHQJ-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
CC(C)Oc1ccc(C(=O)/C=C/c2cnn(CCCl)c2)cc1	103250266	CUUZVHNNSUCBBT-FPYGCLRLSA-N	318.804	3.805	50	20	DHGD	
O=C(NCCOc1cccc2ccccc12)NNc1ccccc1	114938215	MOKBFCRIVMGALZ-UHFFFAOYSA-N	321.380	3.545	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(F)cc(Br)c2)c1	122422116	LFFIATQOLDTECO-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccccc2C(F)(F)F)c1	171187078	YJRPIDKCHNXTCF-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1cccc2cnccc12	178491873	JQGXCTUWLWWWCK-AWEZNQCLSA-N	305.381	3.557	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@@H]1c1cc2ccccc2[nH]1	178965445	JMCVHCRBSONCAA-FDPSAONLSA-N	323.396	3.665	50	20	DHGD	
Cc1oc2ccccc2c1/C=C(\C#N)C(=O)NCc1ccccc1	179367711	DTHRTVGNYMIYKH-LFIBNONCSA-N	316.360	3.965	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNC(=O)CC2CCCC2)cc1	182723456	SOSXMNQULXTVKC-UHFFFAOYSA-N	303.406	3.543	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2c(C)cccc2F)c1	184312970	IVYGHQISMVCLGW-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
Cc1ncsc1/C=C/C(=O)NNc1ccc(C(C)(C)C)cc1	189076708	QOXMAYKYLHLLPR-MDZDMXLPSA-N	315.442	3.906	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)s1)C(=O)Nc1ccccc1Cl	255871130	RUBMBIATJWUUFU-YFHOEESVSA-N	313.769	3.819	50	20	DHGD	
Cc1noc(C(C)C)c1C(=O)NNc1c(F)cccc1Cl	274518085	VZVDIIMPOIUCAA-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2c(C)cnn2C)cc1	285627420	VXFMQYNKOWUIGE-RKPNYOAGSA-N	322.412	3.788	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)nc1)C(=O)Nc1ccc(Cl)cc1	490726197	OLFLKGJUWZULIS-XFFZJAGNSA-N	318.163	3.934	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2)c(C)c1	490815126	ZKBGXSGZRGGBLU-SXGWCWSVSA-N	319.339	3.860	50	20	DHGD	
CCCN(N=C1CC[C@H](C(=O)O)C[C@H]1C)C(=O)OC(C)(C)C	495792320	FQTTZYPJIVCJRC-NEPJUHHUSA-N	312.410	3.510	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)COc1ccccc1OC	727253494	DYDBWAGPXVGLRR-CQSZACIVSA-N	318.417	3.537	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCSC(C)(C)C)c(C)c1	727608867	YMYMSKQQVPLLLZ-UHFFFAOYSA-N	309.479	3.770	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2cccc(OC(F)F)c2)c1C	731153144	CCMVWIFNRCVUKJ-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC2(C)CCCC2)cc1	731200124	AWKMARUBFCFWKS-FOWTUZBSSA-N	312.413	3.689	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc2c(c1)COC2)c1ccccc1	743441054	BLVHIEJURQZOBV-LJQANCHMSA-N	322.408	3.751	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	745390193	DOMLMQXPZUXYQJ-YNEHKIRRSA-N	322.840	3.720	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(-c2ccco2)s1	748056933	AEULKKRAYZWBLZ-UHFFFAOYSA-N	302.330	3.904	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1cccc(Cl)c1	749340164	JHOKGJLRZAXYGX-HNNXBMFYSA-N	318.804	3.949	50	20	DHGD	
CC[C@H](C)Oc1cc(/C=C(/C#N)C(=O)OC(C)C)ccc1OC	749452991	QRSMFUKINHKJTD-GRRFOWRYSA-N	317.385	3.731	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)o1	749545065	TXNICVKVZWIIAC-UHFFFAOYSA-N	323.274	3.544	50	20	DHGD	
O=C(Cc1ccccc1F)NNc1cc(Cl)ccc1Cl	752809924	CRSYSKTZAVDLDP-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CCCC(CCC)C(=O)NNC(=O)c1cccc2ccccc12	753168575	LHRGQRSIUVXFPZ-UHFFFAOYSA-N	312.413	3.817	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1ccc(F)cc1	755448804	LCDKCWLVUDGTAJ-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
CCc1ccc(CCC=NNC(=O)COCc2ccccc2)cc1	758125597	TZELKQSLPNMFKL-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
N#CC1=CCN(C(=O)CCCc2ccc(Cl)c(Cl)c2)CC1	767157284	LHERYVNPSGHSKN-UHFFFAOYSA-N	323.223	3.998	50	20	DHGD	
CNC(=O)/C(C#N)=C\c1ccc(SCc2ccccc2)cc1	771842885	UBSLEGOCUYGBHJ-WJDWOHSUSA-N	308.406	3.632	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2cccc3c2CCCC3)cc1C	773493240	UTPKXPOOHSSBRU-UHFFFAOYSA-N	324.424	3.948	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	775730457	CNOAQFBBLRRLEY-DOTOQJQBSA-N	318.461	3.934	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OCc1ccc(CF)cc1	777105924	AESPFXGGIRJQBN-CXUHLZMHSA-N	311.312	3.512	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2ccccc2)cc1OC	781123329	UKTXVQKVBRANEF-CQSZACIVSA-N	310.397	3.858	50	20	DHGD	
CC[C@H]1CCC[C@@H](C=NNC(=O)CCc2ccccc2O)C1	783841683	JYCRXTSZYAIRCO-LSDHHAIUSA-N	302.418	3.643	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)/C(C#N)=C\c2ccc(F)cc2)o1	785359541	UTUIUHAGIHFQRU-XVYOSBKQSA-N	324.355	3.765	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNC(=S)Nc1ccccc1C(C)C	785956431	JUPAKHNVBZSUJD-QGZVFWFLSA-N	319.474	3.730	50	20	DHGD	
O=C(NN=Cc1ccc2occc2c1)c1cccc2ncccc12	794908255	DVTHJHBQKFCGMO-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
C=C(CBr)COC(=O)Cc1coc2cc(C)ccc12	795357831	NPFXEOZBGOVQCE-UHFFFAOYSA-N	323.186	3.778	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1nc2ccccc2o1	799756304	YFNLSBFCOUEGFD-UHFFFAOYSA-N	323.396	3.775	50	20	DHGD	
O=C(NN=C1CCC12CCC2)c1ccc(COc2ccccc2)o1	799873118	LRQFJUDXMHSINT-UHFFFAOYSA-N	324.380	3.909	50	20	DHGD	
CC(C)(COCc1ccccc1)C(=O)NNc1ccccc1F	800520709	HCTYDAXTZPOISB-UHFFFAOYSA-N	316.376	3.512	50	20	DHGD	
C/C(=C\C(=O)NNC(=O)Nc1ccc(C)cc1Cl)C(C)(C)C	802048652	VWNVBJUDOSMFGX-PKNBQFBNSA-N	323.824	3.794	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)Oc1cccc(Cl)c1	808248443	KPWXFARMAXCCNL-UHFFFAOYSA-N	324.635	3.760	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1cc(Cl)ccc1Cl	808248469	LCFPSNCFVVQLTR-UHFFFAOYSA-N	315.027	3.798	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(O)ccc2[N+](=O)[O-])cc1C	809160217	JYWYZEFPRVRQGY-NVNXTCNLSA-N	322.320	3.707	50	20	DHGD	
CCN(Cc1ccc(OCCCCl)cc1)C[C@@H]1CCOC1	811456437	ORJXUEGOIGYQJS-INIZCTEOSA-N	311.853	3.553	50	20	DHGD	
CC[C@@H](C)[C@](C)(O)CNCc1ccc(OCCCCl)cc1	811480143	QQDZTAGYSGHHLO-RHSMWYFYSA-N	313.869	3.581	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCC(=O)[C@@H](C)C1	812768283	NHWUJIJUQZWADO-KBPBESRZSA-N	302.418	3.567	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CC[C@@H]3CNc4cccc2c43)cc1	814744867	BCTYNXDNAXRBRU-OAHLLOKOSA-N	319.408	3.686	50	20	DHGD	
CC(C)C[C@@H](C(=O)NNC(=O)C(C)(C)C)c1ccc(Cl)cc1	822253154	SZFANCRYIADRRH-CQSZACIVSA-N	324.852	3.663	50	20	DHGD	
Cc1sc(NC(=O)NNc2ccccc2F)nc1C(C)C	824280991	SZJOZRSGYLEOPW-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CC[C@@H]2CC2(Cl)Cl)c1	830821263	QAKNRSDPFAGVNG-SECBINFHSA-N	305.180	3.551	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1cc(C(F)(F)F)ccn1	832963382	YNEZZJHZOCTCAY-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NN(C)C(=O)OC(C)(C)C	840928749	IHBQERGRBGOUHG-UHFFFAOYSA-N	313.785	3.552	50	20	DHGD	
CCC(Cc1ccc(Cl)cc1)=NNC(=O)CC(F)(F)F	853293369	YPFFSEXASCFORX-UHFFFAOYSA-N	306.715	3.717	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ccc(Cl)cn2)c(C)s1	856092671	BQUVLQYJZLOKGA-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
CCc1nc(C)c([C@H](C)NC[C@@]2(C)C[C@H]2Br)s1	857083737	ZKWUBRJCBKJAHZ-IYYTYJHQSA-N	317.296	3.838	50	20	DHGD	
BrC[C@H](CN1CCC[C@H](c2ccncc2)C1)C1CC1	859300691	DABPDPFDGOYDHQ-JKSUJKDBSA-N	323.278	3.682	50	20	DHGD	
Cc1nc(-c2ccc(C(=O)NCC(Cl)Cl)s2)cs1	868327915	RJZOWBBCIYULMA-UHFFFAOYSA-N	321.254	3.714	50	20	DHGD	
CCCN(CC1CC1)C(=O)/C(C#N)=C\c1ccc(OCC)cc1	887571877	BSNCLBNGDIHEQG-ATVHPVEESA-N	312.413	3.641	50	20	DHGD	
CC[C@@H]1c2ccccc2CN1C(=O)[C@]1(C)C[C@@H]1Br	890612751	AHRNXRVMBMLFIC-VNHYZAJKSA-N	308.219	3.653	50	20	DHGD	
C[C@]1(C(=O)Nc2ccc(-c3ccc[nH]3)cc2)C[C@H]1Br	907214701	GPZOTJOAISCEES-HIFRSBDPSA-N	319.202	3.794	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccc(C)c(C)c2)c2ccccc2n1	915942388	AOGNDHVZJIMQNT-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
CC1=CC(=NNC(=O)COc2ccc(Cl)cc2Cl)CC1	916255008	VICUVESVCMIWTE-UHFFFAOYSA-N	313.184	3.585	50	20	DHGD	
COc1ccc2cc(C=NNC(=O)c3ccccc3F)ccc2c1	916291176	RNVLYRHNCXEINQ-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
COc1cc(C(=O)NN=C2CCCC[C@H]2C)ccc1OC(C)C	916351565	KIROKWVANRJCNW-CYBMUJFWSA-N	318.417	3.778	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H]2CCCC[C@@H]2C)c1	920431291	WLONMHSTKKREPC-KBPBESRZSA-N	319.474	3.529	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NN(C)c2ccccc2)c1	920859231	MWYBZYFUCJTFAI-UHFFFAOYSA-N	300.427	3.563	50	20	DHGD	
CCOc1ccc([C@H](NC(=O)CCl)C(C)C)cc1OCC	1116434377	UIQLGZIQHAHSNP-MRXNPFEDSA-N	313.825	3.536	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@H](c2ccccn2)C1	1263834679	QBNHUBOUQQPVPK-SLTAFYQDSA-N	306.837	3.585	50	20	DHGD	
Cc1c(NNC(=O)N[C@H](C)CCC(C)(C)C)cccc1C(=O)O	1600051096	MHHILYMOQKFNNW-LLVKDONJSA-N	321.421	3.534	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045768	JVBKDUAVYQHSEO-LBPRGKRZSA-N	315.373	3.629	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1Cl	4460565	HKKURVOCBBIQKA-RAXLEYEMSA-N	312.756	3.894	50	20	DHGD	
N#C/C(=C\c1ccccc1Br)C(=O)c1ccco1	8200513	WWJCYUAHQRAGHN-DHZHZOJOSA-N	302.127	3.832	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(Cl)s1	33762190	YEQYOEIHAYNLOZ-NTMALXAHSA-N	318.785	3.956	50	20	DHGD	
N#CC(C#N)=CNc1c(C(=O)c2ccco2)oc2ccccc12	78608653	KSWDRNBLEGDGIK-UHFFFAOYSA-N	303.277	3.600	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C(C)(C)C)nn2)cc1C	122223710	GHXSEWYQOCGWIN-UHFFFAOYSA-N	313.405	3.540	50	20	DHGD	
O=C(CSCc1ccc(Cl)cc1)NNc1cccc(F)c1	154148478	XNZNQMJJIYMMNW-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Oc2ccc(C)cc2)nc1	159005113	LNSOPDYHFKLXIO-OWBHPGMISA-N	323.352	3.565	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1c(C)cccc1F	184354227	MBOSNTDPZDRTTB-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cnn(C(C)C)c1)c1ccccc1	188578114	DOYYVVBOWVFQPV-WAFWZSCLSA-N	322.412	3.638	50	20	DHGD	
O=C(Cc1coc2cc3c(cc12)CCC3)NNc1ccccc1	192757546	JMOMNUIFSIQTHW-UHFFFAOYSA-N	306.365	3.607	50	20	DHGD	
CCc1cnc(CNC(=O)CCCC[C@@H]2CCSS2)o1	274544559	GDTCKDBLYMZGGX-GFCCVEGCSA-N	314.476	3.567	50	20	DHGD	
COc1c(Cl)cc(Cl)cc1C=NNC(=O)CC(C)(C)C	728429137	UESUZAUKTGSSJG-UHFFFAOYSA-N	317.216	3.888	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)C(C)(C)c2ccccc2)o1	731151395	YOWIOZHCTMEBGZ-CZUORRHYSA-N	310.397	3.831	50	20	DHGD	
COc1ccc(Cl)cc1C(CC(C)C)=NNC(=O)C1CC1	735971225	SXXYHXNNAMTLIC-UHFFFAOYSA-N	308.809	3.625	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2cccc(F)c2)cc1	748088785	QHWAGGZDNPRLFE-UHFFFAOYSA-N	300.377	3.990	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ccc([N+](=O)[O-])cc1Cl	748726637	MOFKNQVPEXXJJP-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNC(=O)c2ccc3ccccc3c2)C1	749849001	RXTVQXKDJCCRHZ-LSDHHAIUSA-N	324.424	3.817	50	20	DHGD	
CC1(C)CCC[C@@H](C=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	752713769	UQJYKNOGVYKRQT-GFCCVEGCSA-N	303.362	3.527	50	20	DHGD	
CCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OCC(C)C	758910692	FRCCASZBOZCEEB-SXGWCWSVSA-N	323.396	3.974	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)c1nc(C)c(C)s1)OCO2	758933046	ZNZKRYLRAYZFMT-UUILKARUSA-N	314.366	3.561	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccccc2C(F)(F)F)C1	759129430	HAUWHHBRTGXADM-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OC2CCCCC2)cnc1Cl	760211157	NCHRBBDPJSIYMR-JYRVWZFOSA-N	304.777	3.826	50	20	DHGD	
Cc1cccc2c1CN(C(=O)/C(C#N)=C/c1ccc(F)cc1)CC2	760668348	QMEOQZHCZCDGOC-GZTJUZNOSA-N	320.367	3.626	50	20	DHGD	
CC(C)(NC(=O)[C@@H](Br)C(C)(C)C)c1cccs1	768166265	QFDNDNBHDJGOJO-SNVBAGLBSA-N	318.280	3.909	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccccc2)c1C1CC1	770086743	GIVHCFLEUBPHRL-LBPRGKRZSA-N	313.405	3.880	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2c(F)cccc2Cl)s1	771291850	XJURGLKBRZOQIE-UHFFFAOYSA-N	313.785	3.675	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1ccc(F)c(Cl)c1	773159778	JGGZYTINZOTOEP-WZUFQYTHSA-N	303.724	3.609	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	779208942	HTCNHXLCCHLTAZ-WDEREUQCSA-N	316.323	3.855	50	20	DHGD	
CC(C)=CCOc1ccc(CCC(C)=NNC(=O)C(F)F)cc1	782236253	ZGGVNCASRUJJMH-UHFFFAOYSA-N	324.371	3.721	50	20	DHGD	
CC(C)(CC(=O)N1CC=C(C#N)CC1)Cc1ccc(Cl)cc1	783691934	LXKGGZJHAFGXCF-UHFFFAOYSA-N	316.832	3.981	50	20	DHGD	
CCOCCC=NNC(=O)Nc1ccc(-c2ccccc2)cc1	788428950	XBIZPTOMMZSWAT-UHFFFAOYSA-N	311.385	3.888	50	20	DHGD	
COc1ccc(NC(=S)NCCSSC)cc1Cl	789324021	FWHGOUZLRBNRMH-UHFFFAOYSA-N	322.908	3.646	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2n[nH]cc2c1	791734003	NYTCCGFYMZZUNK-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1Cc2ccc(F)cc21	793706593	XDALBWDRYWMGNJ-CQSZACIVSA-N	324.277	3.628	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)[C@@H]1CCC(F)(F)C1	795146724	QAKUZDYGKVZIOP-SSDOTTSWSA-N	309.143	3.872	50	20	DHGD	
C=C(CBr)COC(=O)CCc1ccc2[nH]ccc2c1	795580120	ALRJTRHKWJTWRV-UHFFFAOYSA-N	322.202	3.595	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](c2cccnc2)C(C)C)ccc1[N+](=O)[O-]	797943875	XDKKRIVMEQQXPO-MRXNPFEDSA-N	314.341	3.643	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(-c2cnco2)cc1	799760712	OMMSHMJCNBDIIT-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
CC[C@@]1(C)CN(Cc2ccc(OCCCCl)cc2)CCO1	811494648	VQWJJVYNHRDHRX-KRWDZBQOSA-N	311.853	3.695	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cc2ccccn2n1	812983717	DVMCSXWYLQICEX-UHFFFAOYSA-N	323.400	3.915	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ncccc1Cl	815850567	RIOQUKGXSPTKLS-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1ccc2nc(C(=O)NNc3ccc(F)cc3C)ccc2c1	815853902	GBEDMDHCLXPSAH-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1cc(O[C@@H](C)C(=O)NCC(Cl)Cl)ccc1C(C)C	816604938	DCFNOWDFDWOMFA-NSHDSACASA-N	318.244	3.806	50	20	DHGD	
C[C@@H](Oc1ccc(C(=O)NN(C)C2CC2)cc1)c1ccccc1	819651031	DJGAWOSMFMFACW-CQSZACIVSA-N	310.397	3.566	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCc2cccnc21	820920951	GYCXJUOJTOVOCW-INIZCTEOSA-N	309.413	3.687	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ccnc(Cl)c2)s1	825004550	VKNRITOBWCOOEK-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C2CC2)C(F)(F)F)c(Cl)c1	836617703	BLQRSUJQNDQYEE-LLVKDONJSA-N	321.730	3.615	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](C2CC2)C(F)(F)F)c(Cl)c1	836617704	BLQRSUJQNDQYEE-NSHDSACASA-N	321.730	3.615	50	20	DHGD	
CC1=C(C(=O)NNc2cc(F)ccc2Br)CCC1	840531989	MSAFQHFLXDZFTJ-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)[C@@H]1C[C@H]1c1cccs1	841618691	HJZDIPUNTGUHNI-UONOGXRCSA-N	314.410	3.672	50	20	DHGD	
CCC(=NNC(=O)[C@@H]1CCO[C@H]1C)C12CC3CC(CC(C3)C1)C2	842561299	PWUMGZUKQDHRRW-SXUGBLPRSA-N	318.461	3.510	50	20	DHGD	
COc1cc(F)c(/C=C(\C#N)C(=O)CC(C)(C)C)cc1OC	844274412	BPFOODROQIKDGG-WUXMJOGZSA-N	305.349	3.755	50	20	DHGD	
N#CSCCCNC(=O)c1csc(C2CCCCC2)n1	854367815	YZQNDVJAZOJZEF-UHFFFAOYSA-N	309.460	3.525	50	20	DHGD	
O=C(CCCC(F)(F)F)OC[C@H](CBr)C1CC1	859620623	BWBRDPWICCYKRD-VIFPVBQESA-N	317.145	3.683	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNc2ccc(C#N)cn2)cc1	899661889	IUBHJSSXBIUKIP-AWEZNQCLSA-N	322.412	3.714	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccccc1C	916297620	AOMPKTZRKOAKDD-UHFFFAOYSA-N	310.397	3.531	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)c1ccco1	916335671	PNTXOOXELPNWQY-CQSZACIVSA-N	322.364	3.741	50	20	DHGD	
N#C/C(=C/c1ccc(O)c([N+](=O)[O-])c1)c1ccc2ccccc2n1	917145496	YYKXWVDEPCYJTN-ZROIWOOFSA-N	317.304	3.913	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](CC(C)(C)C)c1ccc(F)cc1	917605225	XESVECAONOIZQF-GRNBYLDVSA-N	318.392	3.863	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(Cl)c(C)c1	928341232	TZMWXBQYPZPGCF-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
Cc1ccccc1OCCC(=O)NNc1ccc(Cl)c(F)c1	1116344343	VKHLLZNBOWUORR-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
CCOc1ccc([C@@H](NC(=O)CCl)C(C)C)cc1OCC	1116434376	UIQLGZIQHAHSNP-INIZCTEOSA-N	313.825	3.536	50	20	DHGD	
Cc1csc([C@@H](NC(=O)C2CCC(Cl)CC2)C2CC2)n1	1346540478	RJJLUIMWZCVIKH-BPCQOVAHSA-N	312.866	3.816	50	20	DHGD	
Cc1cccnc1[C@H](C)NC(=O)NNc1ccc(C(C)C)cc1	1528060951	LENSQJWCKIHTOF-AWEZNQCLSA-N	312.417	3.901	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)c(C)cc2C)o1	1777433694	VZDDOVVVTQYTTH-AUWJEWJLSA-N	309.321	3.693	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C(C#N)=C/c1cccc(O)c1	6455915	UVLCDXZDOOVNDR-NTEUORMPSA-N	302.333	3.972	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cc1[N+](=O)[O-]	16883125	PMYRITTVQDDUAW-MDWZMJQESA-N	310.284	3.832	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@@H]1c1sccc1C	118988746	IADINDYTEQAYLU-QWHCGFSZSA-N	304.390	3.751	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1scnc1C1CCCC1	129065022	LAOAAWJYTVFIHH-UHFFFAOYSA-N	322.821	3.606	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(SC(F)F)cc2)cc1	155676654	NUJSMQJMNJRNDZ-UHFFFAOYSA-N	319.336	3.630	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1	158880681	PCCAHMKAUBZLGS-LSDHHAIUSA-N	316.351	3.828	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2csc([N+](=O)[O-])c2)s1	170933481	FBXORZKPVJCTKF-ONNFQVAWSA-N	304.352	3.816	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2cccs2)n[nH]1)c1ccc(C)cc1	254294452	NXGZBZAXNRFYJR-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2ccnn2CC)cc1	255890562	ASNKITPPGGMPCS-SSZFMOIBSA-N	322.412	3.791	50	20	DHGD	
CSCCCCC(=O)NNc1cc(Cl)cc(Cl)c1	276936692	YURDAKZFFLNMLY-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
Cc1cccc(NNC(=O)C2CCC(C(F)(F)F)CC2)c1	277808108	PWBKUGCLAMQCER-UHFFFAOYSA-N	300.324	3.807	50	20	DHGD	
C[C@H](CCC(=O)NNc1cccc(Cl)n1)c1ccccc1	293666612	JXHLSJIAQSDSRP-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)c(Cl)c1OC	295823605	GSHBKKFYRXHNTC-JXMROGBWSA-N	311.740	3.581	50	20	DHGD	
COc1cccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	490839067	CAHQVHRBFDOLLB-BVTUPMQUSA-N	324.355	3.619	50	20	DHGD	
N#C/C(=C\c1cc(F)ncc1F)C(=O)Nc1ccccc1Cl	490939166	GIPKIVIFUVCYOL-BJMVGYQFSA-N	319.698	3.559	50	20	DHGD	
CCOC(=O)[C@@H](Br)c1ccc2sc(C)nc2c1	585163961	VCBWPAOURCXVDG-NSHDSACASA-N	314.204	3.604	50	20	DHGD	
CC(C)N(CCC#N)C(=O)CCCC[C@@H]1CCSS1	726533374	WZOLKVZVWSYVQY-CYBMUJFWSA-N	300.493	3.851	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1ccc(SC(C)C)cc1	728853939	DPADMYBZINQBOX-WZMONFQBSA-N	318.442	3.808	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	732976568	RYYUQTGRAQDINX-SNVBAGLBSA-N	322.796	3.659	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(C)c(C)c1	734096227	KUOPRWPLWHBPAL-UHFFFAOYSA-N	316.788	3.816	50	20	DHGD	
Cc1cccc([C@@H](C)NC(=O)NNc2c(F)cccc2F)c1C	735757684	IIEUOKRPQDZWQT-GFCCVEGCSA-N	319.355	3.969	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2ccccc2OC)cc1	741461891	SDMNGTJGQLGVPP-CQSZACIVSA-N	310.397	3.858	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)nc1)c1cccc(Cl)c1	743816662	SJQKWGXBQUHZFO-SECBINFHSA-N	310.184	3.635	50	20	DHGD	
CCCC(=NNC(=O)N(C)C)c1ccc(Cl)c(Cl)c1	746679389	FOGVTMSPHNSAJA-UHFFFAOYSA-N	302.205	3.769	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	747588675	PHUSMWGGZSNDQX-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
O=C(CCc1ccccc1)NN=C1CCSc2ccccc21	749743631	ABKPXORNWJGYAW-UHFFFAOYSA-N	310.422	3.636	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cnc(-c3cccs3)s2)o1	752175474	USPXYMHVGNSQOI-UHFFFAOYSA-N	317.395	3.537	50	20	DHGD	
CCOc1cc(/C=C(/C#N)c2ccncn2)cc(Cl)c1OC	758916210	PTOYJSIHDGLUPE-SDQBBNPISA-N	315.760	3.601	50	20	DHGD	
Cc1ccc(F)cc1NC(=O)NNc1nc2ccccc2s1	769922477	DGYIEJXYVKVFAF-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
C[C@@H]1CCC[C@H](OCC(=O)NNc2c(F)cccc2Cl)C1	770198474	TVNLARYEKPVDNP-MNOVXSKESA-N	314.788	3.518	50	20	DHGD	
Cc1cccc(C2(C(=O)NCCCSC#N)CCCC2)c1	773593530	JYCUVNVQJNRYBB-UHFFFAOYSA-N	302.443	3.527	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	775273044	CWOMRTLXYXBUCU-SECBINFHSA-N	302.205	3.658	50	20	DHGD	
O=C(CCc1nccs1)NNc1cc(Cl)cc(Cl)c1	791714404	TXDOZMXSGYTZEV-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccnc(-c2ccccc2)c1	792346995	FRMIOYQGKQBZCJ-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H](F)CC1CCCCC1	793713248	LUZZIWUFTWQIQJ-CYBMUJFWSA-N	318.314	3.856	50	20	DHGD	
CC[C@H](C)C(=O)NN=C1CCC(N(C)Cc2ccccc2)CC1	797787640	XWIAUXSUOAWNFU-BUSXIPJBSA-N	315.461	3.579	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(C#N)cc1OC	799411923	SUILWSSJQGVCSH-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1coc(C(C)C)n1	799477303	OAOULDQQOMFJJH-UHFFFAOYSA-N	300.362	3.652	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cccc(CCl)c2)c1	799893678	VCFRBRPHVLWLKS-ZDLGFXPLSA-N	324.811	3.957	50	20	DHGD	
CSSCCNC(=O)c1ccc2[nH]c3c(c2c1)CCCC3	803473840	BWHJESAMOULMBD-UHFFFAOYSA-N	320.483	3.788	50	20	DHGD	
CCCN(NC(=O)c1cc2ccsc2[nH]1)C(=O)OC(C)(C)C	804593628	QEIMMQLYJACKSC-UHFFFAOYSA-N	323.418	3.521	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2nc3ccccc3[nH]2)cn1	806565603	PGLMIETUSBRSCZ-MDWZMJQESA-N	303.369	3.715	50	20	DHGD	
COc1cccnc1NCc1ccc(OCCCCl)cc1	811485838	CWKRAPLGGPIZDG-UHFFFAOYSA-N	306.793	3.710	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1F	814862614	NUVYEJZDRAWBCU-LBPRGKRZSA-N	321.783	3.915	50	20	DHGD	
COC(=O)N(C)N=C(Cc1ccccc1Cl)c1ccoc1	814925954	FCBIXGPDKWPFDU-UHFFFAOYSA-N	306.749	3.578	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2ccc(Cl)cc2)cc1	817908335	CRKWDIXRJPQGDD-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCCC23CCCCC3)n1	834932518	DHKBVAZACVKILI-UHFFFAOYSA-N	305.447	3.601	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@@H](O)c2cccc(F)c2)cc1	837053852	XQECYOSKEFDGOH-QGZVFWFLSA-N	316.376	3.516	50	20	DHGD	
N#C/C(=C\c1cnn(CC(F)F)c1)c1nc(C2CC2)cs1	843266553	XIKPQIGFNLYVHI-QDEBKDIKSA-N	306.341	3.546	50	20	DHGD	
C[C@H](c1csnn1)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852524246	PLASATHWJINAOC-NEPJUHHUSA-N	313.543	3.695	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)C1(c2ccccc2)CCCC1	856095299	KXNJRKWGVZHVNL-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2ccc(C)c(F)c2)cc1	856230171	HILQNYZSTKDKDF-ZDUSSCGKSA-N	316.376	3.780	50	20	DHGD	
CCC(C)(C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857265735	ZDOUHNXMZKNJEG-UHFFFAOYSA-N	304.312	3.593	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cncn2CC)cc1	901419226	XBKCBRXZMTZIHL-WJDWOHSUSA-N	322.412	3.791	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)c1ccccc1F	913187852	CVHYQKQIHBUURJ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(NN=Cc1csc(C2CC2)n1)c1ccc2ccccc2c1	920374777	KWYKPSPBVQGCRM-UHFFFAOYSA-N	321.405	3.938	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1cccc(Cl)c1	1339576015	RXKGRSCATWLTDH-UHFFFAOYSA-N	304.777	3.641	50	20	DHGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)NCC(C)C	73116908	BDTCAIGQUNUUQK-XNTDXEJSSA-N	308.381	3.528	50	20	DHGD	
Cc1cccc(C(=O)NNc2ncc(Cl)cc2Cl)c1C	132822006	AZOSEZTZOGCIEQ-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(OC2CCCC2)c(F)c1	159719524	GRJXXZRYZPSKGR-QXMHVHEDSA-N	318.348	3.530	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2Cl)cnn1C1CCCC1	163777805	PRQZDOFQLXGZQT-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2cccc(Cl)c2)cc1	175302962	WDENGOAQONSSJE-GFCCVEGCSA-N	318.804	3.986	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H]1CCCO1	175626871	ZNLNAPOHRNKBBF-CQSZACIVSA-N	318.442	3.892	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1cc(F)c(F)cc1F	178542394	MWSYDUYCMBUBPJ-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)Nc1ccccc1F	178622726	XWTVLOYHTDCBCY-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccn1)c1ccccc1C(F)(F)F	181209397	JYTBEWITJISNQB-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1csc(C2CC2)n1	181301980	GQQMZFGYPOWYDJ-UHFFFAOYSA-N	324.409	3.634	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	190213643	GXQCDPRBPDLGJB-UHFFFAOYSA-N	324.302	3.905	50	20	DHGD	
CC(C)Oc1ccccc1CC(=O)NNc1cccc(Cl)c1	195339071	YFHURVINJGNKIO-UHFFFAOYSA-N	318.804	3.813	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(C)o1	254293142	MCUPTCHLWBRKMD-UHFFFAOYSA-N	306.365	3.824	50	20	DHGD	
N#CC1=CCN([C@H]2CCCc3ccc(Br)cc32)CC1	272578369	DOUXYJVRIMGWFL-INIZCTEOSA-N	317.230	3.982	50	20	DHGD	
N#C/C(=C\c1ccccc1C#N)C(=O)c1ccccc1OC(F)F	588386535	DIDAXMJXFJDEAD-NTEUORMPSA-N	324.286	3.950	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCCC(C)(C)C2)cc1	732968995	KOIKDKJJHCCGKS-FOWTUZBSSA-N	312.413	3.641	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	735756008	MHYHUUGYZJHIDK-YNEHKIRRSA-N	323.387	3.950	50	20	DHGD	
CCCC1CCC(=NNC(=O)COCc2ccccc2)CC1	737439134	URKAFYHFHAHJOU-UHFFFAOYSA-N	302.418	3.666	50	20	DHGD	
CC[C@H]1CCC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	741091256	FEZQTJGRAMKUPD-UWVGGRQHSA-N	315.339	3.699	50	20	DHGD	
CC(=NNC(=O)CCOc1ccccc1)c1ccccc1Cl	747058941	AHDRSOUXKAGXIS-UHFFFAOYSA-N	316.788	3.649	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)CC2	752064159	CTSRIBZIYSYMMT-SKTWIKFTSA-N	320.367	3.845	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])CCC1	759152154	ZTEMMXIDFHVYAA-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1cc(F)cc(F)c1	769960090	ILCKXDXARSTVKK-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CC(C)Oc1ncccc1NC(=O)NNc1ccccc1Cl	769961071	HCGOISAWNDEYMP-UHFFFAOYSA-N	320.780	3.671	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1cccc(F)c1	772178502	HBHHLPNKCRWGGC-YBEGLDIGSA-N	317.323	3.801	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1c(F)cccc1OC(F)(F)F	789129923	YVFIDYGJSKQNHZ-TWGQIWQCSA-N	301.239	3.856	50	20	DHGD	
CSC1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CC1	789657336	DQSFKEALABLUFQ-UHFFFAOYSA-N	303.339	3.549	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccsc2Cl)c1	790099390	FZWDHEIBXQHRLB-RIYZIHGNSA-N	316.813	3.933	50	20	DHGD	
CSSCCNC(=O)NCCCc1ccc(Cl)cc1	790690272	AWROOSRLSACALW-UHFFFAOYSA-N	318.895	3.583	50	20	DHGD	
CSSCCNC(=O)c1ccccc1COC(C)(C)C	791153365	VYBKATKTYVZGID-UHFFFAOYSA-N	313.488	3.743	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ncsc2C(F)(F)F)c1	792259496	PNPYOOURLQOBHV-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc2c(cn1)CCCC2	794744999	NENPHFVIBVYHNG-CXUHLZMHSA-N	321.355	3.645	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1CCC(F)(F)C1	799632934	KPRCNSAYTTZHHS-LBPRGKRZSA-N	311.376	3.619	50	20	DHGD	
CC/C=C(/C)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802092608	VITLLAWAQLIGIC-YWEYNIOJSA-N	316.188	3.502	50	20	DHGD	
C[C@H](CBr)CN1Cc2ccccc2OC(C)(C)C1	808791482	ZRJQGORJUPHKLF-GFCCVEGCSA-N	312.251	3.691	50	20	DHGD	
C[C@H](NCc1ccc(OCCCCl)cc1)[C@@H]1CCCOC1	811489088	VUPNYEIQFWWALL-GOEBONIOSA-N	311.853	3.599	50	20	DHGD	
CCOC(=O)NN=C(C)c1sc(-c2ccccc2)nc1C	814693263	GABHNCCSDLEAMK-UHFFFAOYSA-N	303.387	3.589	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2ccccc2F)c1	814990726	BCQVOIZONGIZJN-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
Cn1c(NNC(=O)CC2CCC(C)(C)CC2)nc2ccccc21	816579988	NWCIXAVFTSQTNV-UHFFFAOYSA-N	314.433	3.623	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2coc3cc(C)ccc23)cc1	817908842	QVTFVDAQZMYKGJ-UHFFFAOYSA-N	324.380	3.826	50	20	DHGD	
CCOC(=O)NN=C1C[C@@H](c2ccccc2)Oc2ccccc21	823245355	FIXPPPDUJYMWFF-KRWDZBQOSA-N	310.353	3.661	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CC12CCSCC2	836934807	HPPHHSBAOHHCRQ-NSHDSACASA-N	310.850	3.625	50	20	DHGD	
Cc1noc(C)c1[C@@H](C)C(=O)NNc1ccc(C(C)C)cc1	837056374	ODXQYQSFWVVROO-LLVKDONJSA-N	301.390	3.662	50	20	DHGD	
CN(NC(=O)c1ccc(Cl)c(Cl)c1)C(=O)OC(C)(C)C	838365317	KCFSTMAJLIEYCQ-UHFFFAOYSA-N	319.188	3.505	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)[C@H]1CCCC(F)(F)C1	855620579	ZIXYIAAJTTVEJP-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
Cc1ccc(NNC(=O)C2CCC(C(F)(F)F)CC2)cc1F	856227712	HXGMATKZTJFEQU-UHFFFAOYSA-N	318.314	3.946	50	20	DHGD	
C[C@]1(C/N=C/c2cc3ccccc3nc2O)C[C@H]1Br	856718756	NTWPHHWFIAKUHW-RYTUKSOTSA-N	319.202	3.533	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(OC(F)F)cc2)C[C@H]2CC[C@H]1C2	860324919	PUOWDMHTXDPBEE-MMPTUQATSA-N	310.344	3.557	50	20	DHGD	
Cc1cccc(NNC(=O)Nc2cccc(OCC(C)C)c2)n1	860475896	XTFUNVFPVMVMQN-UHFFFAOYSA-N	314.389	3.573	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(/C#N)C(=O)CC(C)(C)C)c1C	863182410	KNAUPAOKHSIQLO-JYRVWZFOSA-N	316.401	3.721	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2cscc2Cl)C[C@@H]1Br	880975046	KXWJJVMEIVORBP-WPRPVWTQSA-N	323.643	3.697	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2cncn2C(C)C)c(C)c1	901418785	DNUBSUYKUCNTAK-NVNXTCNLSA-N	308.385	3.627	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc2oncc2c1)C1CCCCC1	905074872	ZFTAKWBWJMSXMW-ZROIWOOFSA-N	309.369	3.526	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CCC(C)C)c1C	914527752	JVTUDJWDJVHKOW-PDGQHHTCSA-N	315.461	3.926	50	20	DHGD	
CC(C)[C@@H](CNC(=O)NN(C)c1ccccc1)c1ccccc1	918779734	YMOYTJBJGCKDGL-GOSISDBHSA-N	311.429	3.777	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C(C)C)nc2C)cc1Cl	1330662838	YUHHKTXNECZFDQ-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
COc1ccccc1C1(NC[C@H](C)CBr)CCC1	1338204332	PYFIXGJBQXEBBE-GFCCVEGCSA-N	312.251	3.695	50	20	DHGD	
Cc1oc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1C(=O)O	1600838228	OZJGHRHSWFYNQM-IZZDOVSWSA-N	320.304	3.557	50	20	DHGD	
COCc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	72703046	VFNILFVFERMWKY-UHFFFAOYSA-N	324.302	3.609	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2cccc(F)c2F)c(C)c1	88392603	VZYFDCSVHXQZFV-UHFFFAOYSA-N	304.340	3.576	50	20	DHGD	
Cc1ccc2cccc(NC(=O)NNc3ccccc3F)c2n1	92759873	MHKZIJQAAPATGD-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cc([N+](=O)[O-])ccc1OC(F)F	121440585	DSQQWOOLAYCSGG-UXBLZVDNSA-N	324.283	3.718	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CSc2ccc(F)c(F)c2)c1	125061634	WJGFMHCHMSZHKU-UHFFFAOYSA-N	322.380	3.817	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccncc2Cl)cc1	154671170	QKDDUVYWKHDYNY-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1ccncc1Cl	154774546	JRMOOQIVNGKRFJ-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc2oc(C(C)(C)C)nc2c1	158905749	NYEGXEWCYLYKST-KHPPLWFESA-N	313.357	3.508	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2ccccn2c1	159734518	RZFUNILIZPNZFB-UHFFFAOYSA-N	319.286	3.715	50	20	DHGD	
N#Cc1ccc(CC(=O)NNc2ccc(Cl)cc2Cl)cc1	178881695	BLLHLXFMKHKJDX-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
N#C/C(=C/c1ccc(OC(F)(F)F)cc1)C(=O)NC1CCCC1	255210155	IJUQDAKIKBPWMW-XFXZXTDPSA-N	324.302	3.551	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2c[nH]c3ccc(OC)cc23)cc1	730141958	NPWIQPSIYDGJCX-UHFFFAOYSA-N	321.380	3.503	50	20	DHGD	
O=C(NN=C1CCCc2ccccc21)c1ccc(O)c(Cl)c1	734094755	UPNWMWUKUWBOBD-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	748722578	VERGGUWLXKDTRY-UHFFFAOYSA-N	313.785	3.908	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(F)cc2C)cc1	750899698	FEGOEXFCGNMDJY-YVLHZVERSA-N	315.369	3.781	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]1Cc1ccccc1	752316364	XFNGIMHZEVECFS-HRYJJRBTSA-N	319.364	3.776	50	20	DHGD	
Cc1ccc(C(=O)OC[C@H](C)CBr)c(Cl)c1	755653012	DRQWDORZILDQRT-SECBINFHSA-N	305.599	3.836	50	20	DHGD	
CC(F)(F)CC(=O)NN(Cc1ccccc1)c1ccccc1	757766772	PZWLMLGPZNWALK-UHFFFAOYSA-N	304.340	3.770	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)c(C)c2)cc1	766288744	KQKUWFRYWWUVQN-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)ccc1C#N	766290254	OSWLVGQMBDOMMR-LICLKQGHSA-N	312.332	3.981	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)C2CCCCC2)o1	767737896	QUNIHIUUZJCOEZ-JLHYYAGUSA-N	301.342	3.513	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1C[C@@H]1c1ccc(F)cc1	770197954	SAQKFLXQZIYKJI-VXGBXAGGSA-N	322.742	3.865	50	20	DHGD	
Cc1nc(C)c(NC(=O)NNc2c(F)cccc2Cl)s1	771173081	BJQKKAYSPCXWFC-UHFFFAOYSA-N	314.773	3.701	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCCc2sccc21	771580311	VYZNOWVSPWQAMU-JTQLQIEISA-N	308.353	3.590	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)CCCC1CCCCC1	777772637	GRADHTVWABHDOS-UHFFFAOYSA-N	318.417	3.667	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ccccc1OC(F)(F)F)CC	779203340	BRBMQZJCNPFZEW-VVVHQUFHSA-N	314.307	3.941	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C#N)C2CCCCC2)c1	782449588	VWJKEBZCSIAVND-BXBHGGAKSA-N	324.380	3.618	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)c1ccc(Cl)c(Cl)c1	791214720	LANAWKRXYSWNOS-JTQLQIEISA-N	324.211	3.944	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3ncccc3C)s2)o1	791218930	FTMQSKBMSDFPLW-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc2c(c1)-c1ccccc1C2	791224994	ZFRZSXIXUXCQJP-UHFFFAOYSA-N	315.376	3.718	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(Cl)cc(Cl)c1)N(CC)CC	791713091	BUIOFRGMHNNUAL-ZDUSSCGKSA-N	318.248	3.557	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1ccc(-c2ccc[nH]2)cc1	792357975	YALFACVRGREHAB-UHFFFAOYSA-N	307.357	3.534	50	20	DHGD	
CC1CCC(OCC(=O)NNc2cccc3c2CCCC3)CC1	793712879	XDDGEFFVSVUZSB-UHFFFAOYSA-N	316.445	3.604	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1c(C)nn(CC)c1C	799409191	QKICADBQVWBERJ-UHFFFAOYSA-N	315.421	3.539	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCCCCF)c1C	803255303	KJKUPGUOBWFJBH-WJDWOHSUSA-N	306.381	3.715	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc(C(F)F)cc1	805375146	YTANQRWLMXDZPB-UHFFFAOYSA-N	321.283	3.598	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](C)C[C@H]1c1ccccc1	805472642	FWRPFRZUGSHEHG-JSGCOSHPSA-N	310.488	3.790	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1C	810199289	SOHXGTPDIYFRPF-PTNGSMBKSA-N	303.365	3.955	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cscc1C(F)(F)F	811639955	LADJXZXUSYANJK-UHFFFAOYSA-N	304.337	3.797	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC[C@@H]2CC2(F)F)c1C	816418326	LRQVMNUVMHLUDI-GSHXUFRSSA-N	322.355	3.620	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ncccc1Cl	816782484	YPFAOZGOPWVYGE-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1CCC=CCC1	823800881	RSWCPJCQLGQCOJ-UHFFFAOYSA-N	300.189	3.578	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CC23CCSCC3)cc1	828101495	NAPZXUIWMFEWJJ-HNNXBMFYSA-N	318.486	3.961	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-]	836823288	RMWIZAMGQMQXSR-YMTOWFKASA-N	311.769	3.518	50	20	DHGD	
Cc1ccc(NNC(=O)c2coc3c2C(=O)CCC3)c(Cl)c1	836936075	YAQUINVHNNWWDA-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
CSCC1(CC(=O)NNc2nc3ccccc3cc2C)CC1	845919643	MSOICBLLEDMENE-UHFFFAOYSA-N	315.442	3.520	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(OCC(C)C)c2)cc1F	856231724	JQVSVIVDPMABID-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2cccc(F)c2Cl)c1C	862506464	YRTQLVKYMKVZDJ-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1cccnc1	869461280	CZQONHDFKOGXTK-REJLFOLJSA-N	324.218	3.640	50	20	DHGD	
CSc1ccc(Cl)c(NC(=O)NCC(Cl)Cl)c1	880074938	BNWKXPLMVHVKPF-UHFFFAOYSA-N	313.637	3.987	50	20	DHGD	
O=C(C=C1CCC1)NNc1ccc(Cl)c(Br)c1	887212205	YNKJKMWLPJRIHM-UHFFFAOYSA-N	315.598	3.656	50	20	DHGD	
CCCC1CCC(=NNC(=O)CNc2ccccc2OC)CC1	915919645	FJFXTOKSUDLDOP-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)COc1ccc(C)c(C)c1	916297639	BXVVGHZVJFQXKL-UHFFFAOYSA-N	324.424	3.807	50	20	DHGD	
CCCCC(C)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	916348857	ONHCQGGRKQSQAK-UHFFFAOYSA-N	306.406	3.778	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cc(F)ccc1O	917546818	IZOYLZRVVZPLAR-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1nnc(-c2ccccc2)o1	920385306	POHOOAQEXNQRPU-LBPRGKRZSA-N	314.389	3.669	50	20	DHGD	
COc1ccc(OC)c(/C=C(\C#N)C(=O)c2ccccc2C)c1	1116065897	KTNRHJLNGIBJBN-XNTDXEJSSA-N	307.349	3.802	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1ccccc1Cl	1116350989	UGYDUPAKFOYYTD-UHFFFAOYSA-N	304.777	3.641	50	20	DHGD	
c1cc(-c2nnc(CCCC[C@@H]3CCSS3)o2)ccn1	1331859975	IAXFJQIEYKRHOQ-GFCCVEGCSA-N	307.444	3.998	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)OC1CCCCC1	1339901504	KOTJMHASXGKLAS-AWEZNQCLSA-N	304.434	3.738	50	20	DHGD	
COc1ccc(Cl)c(NNC(=O)C2CCC(Cl)CC2)c1	1548671654	FLKCNAWCJBOUFV-UHFFFAOYSA-N	317.216	3.589	50	20	DHGD	
Cc1ccc(C(=O)CCC(=O)NNc2cccc(Cl)c2)s1	72638003	NDHLFPDGJJWPHV-UHFFFAOYSA-N	322.817	3.816	50	20	DHGD	
O=C(NNc1nccnc1Cl)c1ccc(-c2ccccc2)cc1	114894614	DGBCXHMLADBNLY-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)cn1	154275116	LMCFAYUTLIWVHE-JYRVWZFOSA-N	314.291	3.781	50	20	DHGD	
COc1cccc([C@H](NC=C(C#N)C#N)c2ccccc2Cl)c1	157498277	HGLTYJKDMGPWGY-SFHVURJKSA-N	323.783	3.959	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cccc2cn[nH]c12	178876042	JAZLPESUTDMQOR-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1csc(-c2ccc(F)cc2)n1	205609004	AHGUHPCSYGYFBN-WQLSENKSSA-N	314.341	3.585	50	20	DHGD	
O=C(/C=C\c1cccc(F)c1)NNc1ccc(Cl)c(F)c1	255156789	LARJLXPKVIGGHR-DAXSKMNVSA-N	308.715	3.775	50	20	DHGD	
CCN(C[C@H](O)c1ccc(C)cc1)/C(=C\C#N)c1ccccc1	255479199	GCXDOZVLAMZTAA-DTBYZMGXSA-N	306.409	3.915	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)s1	490639732	ZVPQVNKXZJNDHK-LUAWRHEFSA-N	300.358	3.995	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Cl)c1)C(=O)c1cccc(F)c1	588597433	OYUFJAUSRXLWMJ-SDQBBNPISA-N	301.704	3.975	50	20	DHGD	
COc1ccc(NNC(=O)CSc2ccccc2Cl)cc1	729274378	XPPGBAZXXKHIKC-UHFFFAOYSA-N	322.817	3.584	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc(OCC#N)c2)s1	729850408	YADWLSUWYMQMQJ-NTEUORMPSA-N	308.362	3.749	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(F)cc1F	731153519	QAMVDBONQQGPKY-UHFFFAOYSA-N	316.351	3.783	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CCC[C@H]1c1ccccc1	732532714	NVQDOZZXEYQWLR-KRWDZBQOSA-N	322.408	3.765	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2cccc(O)c2)c(C)c1	732889864	TUJGUCXEFLPMMP-CQSZACIVSA-N	313.401	3.705	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cc(Cl)ccc1F	734249700	IMMRWQKPXCAKNH-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc(C)c(C)cc1OC(F)F	742346616	OOZHWXAPDAXFAT-NTEUORMPSA-N	322.355	3.728	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CC12CCCC2	747512112	KPFUPHBXOVIEGP-ZDUSSCGKSA-N	315.804	3.912	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(F)cc1)[C@H](C)c1ccccc1	747592196	JSULVUPHEQVBMA-STQMWFEESA-N	301.365	3.644	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(-c2cccc(F)c2)s1	750936128	MOPIVKOIRNNOFT-UHFFFAOYSA-N	305.378	3.597	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCC(C)(C)C1)c1ccccc1	755885049	ULFVCPNIAFNRPC-HOTGVXAUSA-N	316.445	3.544	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(CC#N)cc1	766751231	VBISJWZSQKCJGV-ZDUSSCGKSA-N	324.218	3.605	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(Cl)cc1F	770315710	BHYFZKMGHDVCJY-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc([C@H]2C[C@@H]2C)o1	771301965	MEZFXRFRRAVBAA-AAEUAGOBSA-N	317.364	3.677	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)NC1CCC(F)(F)CC1	771345532	UQMDVWCSRQTLKO-UHFFFAOYSA-N	321.730	3.683	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCc2sccc21	771580313	VYZNOWVSPWQAMU-SNVBAGLBSA-N	308.353	3.590	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1cc2ccccc2o1	771879291	WUOGOGNFKPUJNT-UHFFFAOYSA-N	304.758	3.912	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	773106205	YZAFKMARHAZKBW-DGCLKSJQSA-N	308.809	3.812	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2coc(-c3ccccc3)n2)ncn1	773173646	STEYMKJQXBEWLG-QPEQYQDCSA-N	320.377	3.918	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1cc2ccccc2s1	780187246	DXKDPENPFQQRNV-UHFFFAOYSA-N	309.394	3.638	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)[C@@H]1CCc2ccccc21	781068221	IVTKJQHQQVDHBQ-KGLIPLIRSA-N	324.262	3.942	50	20	DHGD	
Cc1cc(NNC(=O)c2c(C)coc2C)ccc1Br	786427817	UVAVHSQMDNSICO-UHFFFAOYSA-N	323.190	3.724	50	20	DHGD	
COc1cc(NNC(=O)c2cc(C)c(F)c(C)c2)ccc1Cl	790174695	GJVNVOKMPKXBGP-UHFFFAOYSA-N	322.767	3.861	50	20	DHGD	
CSSCCNC(=O)c1cc(C)c(OC(F)F)c(C)c1	791098200	ZKGFHMIGXYZGFM-UHFFFAOYSA-N	321.414	3.646	50	20	DHGD	
CCCc1sc(C(=O)NNc2ncccc2C)cc1CC	791216495	VRZMPBZOSQNIMN-UHFFFAOYSA-N	303.431	3.723	50	20	DHGD	
O=C(Cc1ncccc1F)NN(c1ccccc1)c1ccccc1	792044359	MOZPGJCKRZCTQV-UHFFFAOYSA-N	321.355	3.633	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1c(C)noc1-c1ccccc1	792364442	ZHHGAHVECGQZBM-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
CCSc1ccccc1C(C)=NNC(=O)c1cccc(C)n1	794566813	ILKSGEADHLLODS-UHFFFAOYSA-N	313.426	3.656	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)[C@H]1CCCOC1	794881459	CVSMBYPYHWMIPY-GFAPJHNFSA-N	319.788	3.641	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@@H](CO)C1CCCCC1	808744905	FFCAYIKZOIFZJG-HNNXBMFYSA-N	301.547	3.539	50	20	DHGD	
COc1ccc2nc(C)c(C(=O)NNc3cccc(C)c3)cc2c1	809707657	KMQALLXKJRDLAT-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CON(Cc1ccccc1Cl)C[C@@H](C)CBr	810139656	UPSXCASTVCVMFS-JTQLQIEISA-N	306.631	3.734	50	20	DHGD	
N#CC(C#N)=Cc1cc(C(F)(F)F)ccc1Br	811626292	DZZNWRSMRYWUIL-UHFFFAOYSA-N	301.065	3.898	50	20	DHGD	
Cc1ccccc1OCC(=O)NNc1c(C)cccc1C(C)C	812769864	WOBTWKHZAHIDGQ-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1cc2c(s1)CCC2	814739067	YWLLFCLUZHQULR-GFCCVEGCSA-N	315.442	3.672	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(Br)cc1F	815851961	AQCVSGLOYFHVRN-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C(C)(C)C2CCC2)c(Cl)c1	831940104	OMYAEPKRZUMNHM-UHFFFAOYSA-N	323.824	3.627	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1cccc(C(=O)OC)c1F	837057088	GRPFUISCXUJDMT-GFCCVEGCSA-N	324.396	3.518	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1cc(C)n(C(C)(C)C)n1	885123911	JJKITAUHDSLDNY-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CSc1ccc(C)c(NC(=O)[C@]2(C)C[C@H]2Br)c1	907226739	KJTKATBMOQJLRH-DGCLKSJQSA-N	314.248	3.829	50	20	DHGD	
CCc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)cc1	916336939	UAWRSJRPRDXIBM-INIZCTEOSA-N	324.424	3.783	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc3c(c2)oc2ccccc23)CC1	1323574243	CRTDQURSQAQPAE-UHFFFAOYSA-N	302.333	3.882	50	20	DHGD	
O=C(NC1CCC2(CCOCC2)CC1)C1CCC(Cl)CC1	1346675898	BLAVQCZLIAMWDT-UHFFFAOYSA-N	313.869	3.640	50	20	DHGD	
CCCCC[C@H](C(=O)NNc1cccc(C(=O)O)c1C)C(C)C	1595663410	VYFKNUUKOLVZHE-AWEZNQCLSA-N	320.433	3.989	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(CC(=O)O)c3)[nH]c12	1777448246	HZLQSXBTRVTAHI-DHDCSXOGSA-N	317.348	3.563	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccco2)c1OC(F)F	16882621	OKSVVURSNMHGJJ-DHZHZOJOSA-N	319.263	3.679	50	20	DHGD	
CCOc1ccc([C@@H](NC=C(C#N)C#N)c2ccccc2)cc1	32584963	GQEDTQMMNMQRAR-IBGZPJMESA-N	303.365	3.695	50	20	DHGD	
O=C(CCOc1ccccc1)NNc1ccccc1C(F)(F)F	45481149	UAKBXRKADFUBIT-UHFFFAOYSA-N	324.302	3.618	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	115184236	SLCATQVVJXQSFJ-LUAWRHEFSA-N	316.307	3.658	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)Nc1cccc(C)c1	121786688	WYVXWLLFFFVYHS-KAMYIIQDSA-N	322.364	3.558	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2c(Cl)cc(F)cc2Cl)[nH]1	126268799	OOQVQAOYHKUTKY-UHFFFAOYSA-N	316.163	3.834	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2coc3cc(C)ccc23)c1	127814092	VZTFOQQJRFRLHN-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
Cc1ccsc1C(=O)NNc1cc(C(F)(F)F)ccc1F	128791722	SXUKCQJORNXXNR-UHFFFAOYSA-N	318.295	3.971	50	20	DHGD	
O=C(CCc1ccsc1)NNc1ncc(Cl)cc1Cl	132442363	WLTBAORJSCTQPX-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
COc1ccncc1NC(=O)CCCC[C@@H]1CCSS1	132873093	ZPKIJOOKKXROOW-LLVKDONJSA-N	312.460	3.743	50	20	DHGD	
CC(C)CCSCC(=O)NNc1ncc(Cl)cc1Cl	133155526	UPAUJDNGKFCJOB-UHFFFAOYSA-N	322.261	3.611	50	20	DHGD	
O=C(CSCc1ccc(Cl)cc1)NNc1ccccc1F	152866830	LJIJLCDOAFUVJB-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc3ccc(C)cn23)cc1	154743683	FRSJUHWPYAJEGT-CXUHLZMHSA-N	301.349	3.741	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccncc1Cl	154823887	LDXBAASIULGSPQ-CQSZACIVSA-N	321.833	3.749	50	20	DHGD	
CC[C@@H](C(=O)NNc1cccc2cnccc12)c1ccccc1	178502562	FFQXHBNGPADZGU-MRXNPFEDSA-N	305.381	3.872	50	20	DHGD	
CCC(=O)c1cccc(NC(=O)NNc2c(C)cccc2F)c1	184543087	WFXVEJKEDOKVII-UHFFFAOYSA-N	315.348	3.875	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1cc(Cl)ccc1F	193515706	BHFKCMWWFRWHMS-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC[C@H](C)C2)c(C)n1CC(C)C	261386658	KMXYJZBDMFOWHC-WXARJGPPSA-N	313.445	3.536	50	20	DHGD	
CN(Cc1ccccn1)C(=O)CCCC[C@@H]1CCSS1	299122944	TYFHSOPCEMLCQB-CQSZACIVSA-N	310.488	3.754	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)c1cnc2ccccc2n1	588581012	YPFNYEFXFXXYLK-RAXLEYEMSA-N	317.348	3.711	50	20	DHGD	
N#C/C(=C/c1sccc1Cl)C(=O)NCCc1ccccc1	588600685	DWPLPKXZDHSFMH-RAXLEYEMSA-N	316.813	3.667	50	20	DHGD	
CC(C)CC[C@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	726700795	OIQYLXAZEPDBHB-NSHDSACASA-N	315.364	3.739	50	20	DHGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	728400482	NSYSFHQUUIZKIU-ZBFHGGJFSA-N	300.406	3.543	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	728440259	VRDLICVONYMHDL-UXBLZVDNSA-N	304.396	3.730	50	20	DHGD	
COc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)cc1	729273441	QUOPYGKNDXUNSF-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)COc1cc(C)ccc1C	729633619	POGHHRYUKUBIFE-UHFFFAOYSA-N	322.474	3.706	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)C(C)(C)c3ccccc3)c[nH]c2c1	731150102	AAXTUYYTJAHKLN-UHFFFAOYSA-N	319.408	3.904	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)CC(C)C)o1	734295600	ZZNALJWFCFIQDL-UHFFFAOYSA-N	302.349	3.890	50	20	DHGD	
CCCCCN(Cc1ccc(F)cc1)C(=O)/C(C#N)=C/OCC	746511018	WXHIMWREQBHDMF-JQIJEIRASA-N	318.392	3.788	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1ccc(Br)cc1F	748202291	XUZRYXCFHMMJNE-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1cc(C)cc(C)c1	748354920	XFPWNGUSILJYMO-UHFFFAOYSA-N	312.413	3.733	50	20	DHGD	
Cc1ccc(CN(C)/C(=C\C#N)c2cccc([N+](=O)[O-])c2)s1	750043572	JBIQNNQDGKSGCL-PXNMLYILSA-N	313.382	3.961	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)CC1CCC(C)(C)CC1	752276773	TUWCQKYOZQBSTF-UHFFFAOYSA-N	317.433	3.754	50	20	DHGD	
COCCC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)C(C)C	756823689	LSJCPBMFJCXBFX-LBPRGKRZSA-N	322.474	3.651	50	20	DHGD	
C#CC[C@H](NC(=O)NNc1ccccc1Cl)c1ccccc1	757771920	HELMZIFYSZPANM-HNNXBMFYSA-N	313.788	3.731	50	20	DHGD	
CC(Cc1cccc(F)c1)=NNC(=O)c1cccc2ncccc12	759195647	PUQGMNNFIZRRRV-UHFFFAOYSA-N	321.355	3.722	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)ccc1C(C)C)C(F)(F)F	761743273	NVTXTQQQEFABNR-UHFFFAOYSA-N	316.323	3.552	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(Cl)cc2C)cc1	767361939	ZESVWNWJMDOQDF-UHFFFAOYSA-N	315.804	3.519	50	20	DHGD	
Cc1cc2c[nH]nc2cc1NC(=O)[C@@H](Br)C(C)(C)C	767942092	VQBVSHKAQUYPME-GFCCVEGCSA-N	324.222	3.619	50	20	DHGD	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)ns1	768058494	ICCFDJKGFBYZJR-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
C[C@H](CBr)COC(=O)c1scnc1C(C)(C)C	770391338	KXIALDIHGVDYIV-MRVPVSSYSA-N	320.252	3.628	50	20	DHGD	
CCC(=NNC(=O)c1cccc(Cl)c1)c1ccc(C#N)cc1	773028725	SIORQRMHAFBIDY-UHFFFAOYSA-N	311.772	3.756	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cc2cccc(F)c2o1	777465744	ZSMFVHVPRKHTIR-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
CSSCCNC(=O)N(C)[C@H](C)c1ccccc1F	790879962	VQVGKQGJHDREET-SNVBAGLBSA-N	302.440	3.539	50	20	DHGD	
C=C(CBr)CN(C)CCCOc1ccccc1C	791449579	TXYZGCGLASFNPH-UHFFFAOYSA-N	312.251	3.647	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CO[C@H]1CCCC[C@@H]1C	799755678	PIPNGVXNDBUYGB-BBRMVZONSA-N	304.434	3.596	50	20	DHGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1ccc(F)cc1	806371443	DXNLUJLANMRXGG-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)N(C)CC(Cl)Cl	808247933	WRPRHKANAQMCFD-LBPRGKRZSA-N	302.245	3.908	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2c(F)ccc(O)c2F)cc1	809755563	KQPPACJFGXQERO-UHFFFAOYSA-N	320.339	3.725	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)[C@@H](CO)C(C)(C)C	811464959	FPBCKKLNLZAZDL-INIZCTEOSA-N	313.869	3.533	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1nc(-c2ccccc2)cs1	814752198	AQSKZVUQVGMUJS-UHFFFAOYSA-N	301.415	3.696	50	20	DHGD	
CCCC(=NNC(=O)[C@@H](CC)c1ccccc1)c1ccccn1	814845441	LVNDTEIAOLBXSX-INIZCTEOSA-N	309.413	3.896	50	20	DHGD	
COC(C)(C)CC=NNC(=O)Nc1ccc(Cl)cc1Cl	814996509	PTTNLWMJQAGVMX-UHFFFAOYSA-N	318.204	3.916	50	20	DHGD	
C[C@@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)C(C)(F)F	815903700	BKZOYAHBNYPKQX-YFKPBYRVSA-N	315.122	3.867	50	20	DHGD	
COc1ccc(NNC(=O)CCC(C)C)c(C(F)(F)F)c1	816702474	OMCSLAZPGPFOGA-UHFFFAOYSA-N	304.312	3.593	50	20	DHGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1ccccc1Br	819409992	OSGMUWRFYIZWKU-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C2CC2)cc1)c1ccccc1	827184517	CNNABUWQFJYBRC-SFHVURJKSA-N	322.408	3.519	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCC[C@@H]2Cc2ccccc2)c1	830767021	UPEMEFKKHYIIPT-IEBWSBKVSA-N	319.408	3.660	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)c(F)c1)C(=O)C1CCCCC1	849179204	LLLRNYRCMQAWHV-JYRVWZFOSA-N	301.317	3.580	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1cc(F)cc(Cl)c1	855621996	SUZRVKKJGKEYRT-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
CCCC1(C(=O)NNc2ccc(OC)cc2C(F)(F)F)CC1	857265413	MKYIWHWVVYOAHQ-UHFFFAOYSA-N	316.323	3.737	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(OC(C)C)c1	921265647	OFFKKFZDIJYHMV-WJDWOHSUSA-N	300.402	3.687	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCC[C@@H]1c1cc[nH]n1	1262624412	GLVCMHSPOREMAR-OAHLLOKOSA-N	303.793	3.516	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@@H]2CCCC[C@@H]2C1	1317727914	RUVODJONKIVNFI-ILTITBJUSA-N	311.385	3.971	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccccc2Cl)C12CCCC2	1323270122	SCQKWQOQMDLLJL-HNNXBMFYSA-N	320.820	3.795	50	20	DHGD	
CC(C)[C@H](CNC(=O)C1CCC(Cl)CC1)c1cccnc1	1346394259	FMUDLZZPLZBAPW-BCLQGDPASA-N	308.853	3.735	50	20	DHGD	
CC1(C)CN(C(=O)C2CCC(Cl)CC2)[C@H]1c1ccncc1	1347010070	XESSUORQGHZCPX-NRXISQOPSA-N	306.837	3.789	50	20	DHGD	
Cc1ccc(NNC(=O)c2nc(C3CC3)cs2)c(Cl)c1	1352272153	FXWKBILHDFPQNK-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
COC(=O)[C@@H](C)c1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1521666622	LPOBAOFSACAOHA-XGNXJENSSA-N	323.820	3.699	50	20	DHGD	
O=C(NN=C1CCCCC1)[C@@H]1CCCO[C@@H]1c1ccccc1	1549080944	OXVCZNDGNCGKOC-IAGOWNOFSA-N	300.402	3.591	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(CCCC(=O)O)CC1	1602921488	VGLXSTUTYNBYGU-UHFFFAOYSA-N	315.530	3.585	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2cccc(OC)c2)cc1	6284546	QOFPYJBSZFWVFO-LFIBNONCSA-N	307.349	3.884	50	20	DHGD	
COc1ccc(C(=O)NN=C(CC(C)C)CC(C)C)cc1OC	6684217	JGLLUUQWVRJTSS-UHFFFAOYSA-N	320.433	3.882	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2cc(Cl)cc(Cl)c2)cn1	49302434	MGKSIFSZYHZGIP-FUQNDXKWSA-N	306.152	3.517	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)Nc1cccc(Cl)c1	83056785	SXUPGAHJAFPCEH-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
NCc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1	131828374	NWNCPJBBPHHYHS-CQSZACIVSA-N	310.488	3.798	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(C(F)(F)F)cc1	160891849	YFRGMMXVYSIXJL-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
O=C(NNc1ccccn1)C1(Sc2ccccc2)CCCC1	181178340	NMDBXLCAZYDNGG-UHFFFAOYSA-N	313.426	3.630	50	20	DHGD	
N#C/C(=C/c1cccn1-c1ccc([N+](=O)[O-])cc1)c1ccccn1	208551006	YVGIMINJYRHGCT-OWBHPGMISA-N	316.320	3.845	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)/C=C\c2ccc(Cl)nc2)c1	255394456	NGWLUUVAVWYUCW-XQRVVYSFSA-N	301.777	3.508	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)CCCC(C)(C)C)c1	728984859	VOYQWKHXSDNNIB-UHFFFAOYSA-N	307.463	3.529	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1ccc(C(C)(C)C)cc1	731488179	XWLBRYKAMQGRGC-UHFFFAOYSA-N	310.397	3.757	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cccc(-n2cccc2)c1	735698098	ZMQGDYYYAYUCTG-UHFFFAOYSA-N	313.307	3.512	50	20	DHGD	
CCC(COC)=NNC(=O)c1cc2c(s1)CCCCCC2	735972491	FQZLSKNJQWTWBC-UHFFFAOYSA-N	308.447	3.549	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)c1ccc(O)cc1	740760203	NADJBBKHPUZUKI-UHFFFAOYSA-N	310.397	3.911	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc(SCC(F)F)cc1	741763522	QPOJQEXPVGCDOO-UHFFFAOYSA-N	312.385	3.684	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2c(C)cccc2C)c(C)c1	743765476	RWZUUAXLQKWMRW-UHFFFAOYSA-N	312.413	3.751	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1ccc(Cl)nc1	743818811	NTHMKWQEKLTXHI-LLVKDONJSA-N	321.833	3.500	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cc(Cl)ccc1F)c1ccccc1	753699937	BKXRELKJORJUJR-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
Cc1cccc(CC(=O)NNc2c(F)cccc2F)c1Cl	754237898	XFGGJWGIEKVXNF-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
CCCC(=NNC(=O)N(C)C)c1ccc(Cl)cc1Cl	755672745	NSEVGJLPHGQSSI-UHFFFAOYSA-N	302.205	3.769	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)s1	763103399	VGFWBFOTDDSQOP-LCYFTJDESA-N	312.394	3.919	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=CCc1ccc(F)cc1Cl	766432427	KKVFMAVKXFZDJC-UHFFFAOYSA-N	322.742	3.505	50	20	DHGD	
CCNC(=O)N(C)N=Cc1ccc(-c2ccc(F)cc2)s1	769593975	JBPDYHPMCMYCFF-UHFFFAOYSA-N	305.378	3.549	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)cs1)C(=O)c1cc(F)cc(F)c1	773173971	ZNLXAOWSTMCZFJ-YCRREMRBSA-N	319.288	3.514	50	20	DHGD	
CC[C@H](CC(=O)NNc1ncc(Cl)cc1Cl)C(C)C	775269836	UXCCGEGWGQZUTI-SECBINFHSA-N	304.221	3.904	50	20	DHGD	
CC(C)(NS(=O)(=O)CCCCCl)c1ccc(Cl)cc1	780766899	LILALCRHNJRVMI-UHFFFAOYSA-N	324.273	3.514	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(Br)cc1C	780992673	BAFCKTDMHJRMMD-LUAWRHEFSA-N	311.223	3.947	50	20	DHGD	
Cc1ccnc(OC2CCN(/C(=C\C#N)c3ccccc3)CC2)c1	782511023	ZADKVFMLYSIIHU-GXHLCREISA-N	319.408	3.798	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1cc(C(F)(F)F)ccc1F	784450236	UQPCXJWIEDXQIH-UHFFFAOYSA-N	306.303	3.970	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC[C@H](CC(C)C)C2)n1	794488161	JQVSMIDPEXXOJS-CYBMUJFWSA-N	307.463	3.703	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C(=O)c1ccc(Cl)s1	799757315	QVITZODCUAGNQH-UHFFFAOYSA-N	322.817	3.598	50	20	DHGD	
CCC[C@H](CC1CCCC1)C(=O)NNC(=O)Nc1ccccc1	801984604	DUHWNFPHUTUINB-OAHLLOKOSA-N	317.433	3.836	50	20	DHGD	
C[C@H](CC(=O)NNc1ncccc1F)Cc1ccc(Cl)cc1	804219779	QIPDILMFMWFEOJ-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	807946737	ROPOCOPRHAQMSD-HNNXBMFYSA-N	309.413	4.000	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1ccc(Cl)nc1	810460936	IZPOORUKLYLWTG-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
CC(C)(C)OC(=O)NN=C(C[C@H]1CCCO1)c1ccc(F)cc1	811629633	ZETVNHRHPUBJIL-CQSZACIVSA-N	322.380	3.624	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCC(=O)OC(C)(C)C	812767133	SZFHESVCVOGJCA-UHFFFAOYSA-N	320.433	3.683	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2c(c1)CCN2C	812769119	VPLXZQNTPWEKRZ-UHFFFAOYSA-N	323.440	3.868	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC(C1CC1)C1CC1	813033950	SLRVQIDGNSZILW-UHFFFAOYSA-N	301.434	3.933	50	20	DHGD	
O=C(NN=C1CC(c2ccccc2)C1)c1cccc2ncccc12	814841953	ZWPXJCKPYDCZIV-UHFFFAOYSA-N	315.376	3.898	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@H]2CCCC[C@@H]2C)cc1OC	834921188	SPRGWUQOEIAQMQ-WFASDCNBSA-N	318.417	3.636	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCCC[C@H]1C	834959919	XRABECIIEBGLIB-ZWNOBZJWSA-N	308.809	3.978	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1ccnc(Cl)c1	855465141	IGFWJBKKRPTHSK-CYBMUJFWSA-N	317.820	3.837	50	20	DHGD	
COc1ccc([C@H](C)NC[C@]2(C)C[C@H]2Br)c(F)c1	857082605	OZWWHBRZJPKNKI-FZZIBODNSA-N	316.214	3.658	50	20	DHGD	
CC(C)(C)OC1CCN(C[C@H](CBr)C2CC2)CC1	859163225	FEICJMFWRRLSSR-ZDUSSCGKSA-N	318.299	3.687	50	20	DHGD	
Oc1ccc([C@@H]2CCCN2C[C@H](CBr)C2CC2)cc1	859174021	OBITWFWFWCARNM-HOCLYGCPSA-N	324.262	3.950	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1cc(C(F)(F)F)ccc1F	860392627	DWWNLLZDNYYMMH-UHFFFAOYSA-N	317.286	3.618	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2cccc(Cl)c2)C1)c1cn[nH]c1	863154296	VCEYHMOXCWHBRN-GFCCVEGCSA-N	316.792	3.507	50	20	DHGD	
CC(CCOCc1ccccc1)=NNC(=O)c1cc(C)cs1	872392564	PIEBNCRJTJXMPD-UHFFFAOYSA-N	316.426	3.769	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2)c(C)n1C(C)C	885110216	TUZGBDCQMVAVHN-UHFFFAOYSA-N	307.344	3.721	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(F)c(F)c1	916278249	KJSZJDKQQDRSQE-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H](c1ccccn1)C1CC1	925534278	UKXVSRGCALSDRB-HNNXBMFYSA-N	316.792	3.512	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)n(CC3CC3)c2C)c1	1322853267	SYAQJMKALBBYDM-UHFFFAOYSA-N	315.392	3.719	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccn2C2CC2)c(C)c1	1325239332	LBTLIMVZRNQUGB-RVDMUPIBSA-N	305.381	3.986	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1cc(Cl)ccc1F	1352917366	PPMJBGWGIQXBCY-UHFFFAOYSA-N	324.743	3.802	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	57547555	IRYSONACDQXTSV-SSZFMOIBSA-N	300.402	3.783	50	20	DHGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NNc2ccccc2)c1	111552798	SURYDVBFJLLPAL-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(-n2cccc2)cc1	118516148	QLECCAZLAVGDHV-UHFFFAOYSA-N	313.307	3.512	50	20	DHGD	
CCC[C@H](C(=O)NNc1nc(C(F)(F)F)cs1)C(C)C	153398268	KVCDILOHMJQLSL-QMMMGPOBSA-N	309.357	3.677	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3c2OCCO3)cc1	154287009	ACWCYYHCZLQZKH-LFIBNONCSA-N	305.333	3.556	50	20	DHGD	
COc1ccc2cccc(CC(=O)NNc3ccccc3)c2c1	161073582	JZWKZAJWIVOXBE-UHFFFAOYSA-N	306.365	3.534	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C/c2cnn(CC)c2)cc1	171805687	XWNDLUXQYOWVTG-FBJMNJBLSA-N	322.412	3.962	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(C(C)(C)C)cc2)cc1O	181136644	VVGYFRVHELNWPQ-UHFFFAOYSA-N	312.413	3.684	50	20	DHGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2ccc(C(C)(C)C)cc2)O1	181160377	LINAQNVEVBVEMD-CJNGLKHVSA-N	304.434	3.775	50	20	DHGD	
CC[C@H](C)Oc1cccc(NS(=O)(=O)CCCCCl)c1	228334520	BUBIGOIGGVXFSL-LBPRGKRZSA-N	319.854	3.625	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)[C@@H](C)CC	263649328	GJTAVIWAEMLGTO-ZWSXMNCCSA-N	302.330	3.516	50	20	DHGD	
O=C(C[C@H](c1ccccc1)C(F)(F)F)NCC(Cl)Cl	288139655	FOALYKJMYLBXAS-SECBINFHSA-N	314.134	3.643	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	491053788	ZDJNCGXWYLNUKU-CLFYSBASSA-N	302.321	3.590	50	20	DHGD	
CCCN(N=Cc1ccc(OC)c(OC)c1)C(=O)OC(C)(C)C	495749282	WAJVOQTWTKNWQY-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
CCCCc1oc2ccccc2c1C=NNC(=O)c1ccc[nH]1	725854929	PTPVAPVFHCSJTP-UHFFFAOYSA-N	309.369	3.867	50	20	DHGD	
CC(CCc1ccc(O)cc1)=NNC(=O)CCCc1ccccc1	727688662	DDQUPMNFKHQFAG-UHFFFAOYSA-N	324.424	3.840	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1ccc(C(C)C)cc1	728784386	CFGRGYFYOUEPDY-UHFFFAOYSA-N	305.381	3.836	50	20	DHGD	
CC(C)(C(=O)NN=C1CSCc2ccccc21)c1ccccc1	731152301	CLOWYTVEEDFOHP-UHFFFAOYSA-N	324.449	3.732	50	20	DHGD	
CC(C)[C@@H](NC(=O)NNc1ccccc1)c1nc2ccccc2[nH]1	734263843	DVJBZJMLLDXBCH-MRXNPFEDSA-N	323.400	3.586	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc2ccccc2n1)c1ccccc1	741459884	GHTBLJWAEUXZRD-SFHVURJKSA-N	317.392	3.879	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@H](C)C2	741469896	NAUDQTDOHJNGON-WIOCWTDVSA-N	313.397	3.931	50	20	DHGD	
CCC(=NNC(=O)c1cn(C)c2ccccc12)c1ccccc1	744780519	GIPKGHXSVPZXQE-UHFFFAOYSA-N	305.381	3.722	50	20	DHGD	
CCOC(=O)/C(C#N)=C/NCc1ccccc1Oc1ccccc1	745099087	HOGSECVQRXNHRK-JQIJEIRASA-N	322.364	3.539	50	20	DHGD	
CCC(CC)(CNC(=O)NNc1c(F)cccc1F)SC	745908520	HZOJUIPOBYTZKM-UHFFFAOYSA-N	317.405	3.513	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cc(Cl)ccc1O	748251550	XPDBGWXLGVJBGV-SNVBAGLBSA-N	308.809	3.978	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNC(=O)[C@H](CC)c1ccccc1	753227418	NDPPFTFTANKAPX-MRXNPFEDSA-N	318.461	3.934	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(C(F)(F)F)ccc1Cl	753696010	FFTPNKFOFYAZPY-MRVPVSSYSA-N	306.715	3.855	50	20	DHGD	
CCCCSCC(=O)NNc1cc(C(F)(F)F)ccc1F	754148692	ZMOGYTFHWSKPAM-UHFFFAOYSA-N	324.343	3.821	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1cc(F)cc(F)c1	755403910	IRFQBEGONNXKNO-VCTMGIFYSA-N	304.340	3.567	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(-c2ccccc2)ccc1OC	756786986	LYZNUWYEOBUPJW-AQTBWJFISA-N	320.392	3.795	50	20	DHGD	
O=C(NN=Cc1c(Cl)oc2ccccc12)c1ccc(O)cc1	761250739	CKNLTZLDRFSYNN-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C[C@H]1C	767388719	VYHPGFOYSBDDHW-GHMZBOCLSA-N	316.430	3.680	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccc(OC)cc2)cc1	769021661	SMNGUWNZQROJDV-UHFFFAOYSA-N	312.413	3.679	50	20	DHGD	
Cc1nc(NC=C(C#N)C#N)sc1Cc1ccc(F)cc1F	772174628	CGUGKLDOIGKDAA-UHFFFAOYSA-N	316.336	3.663	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	773459087	RJYLVLRDUKOZEO-GFCCVEGCSA-N	300.324	3.975	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2ccc(-c3ccccc3)nn2)C1	780627070	UXMTVCMJUVJDII-FOLVSLTJSA-N	324.428	3.659	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2cccc(Br)c2)C1	782016315	BMIYTSFKHVMLJR-JTQLQIEISA-N	311.223	3.719	50	20	DHGD	
C/C(C=NNC(=O)CC1CCCC1)=C/c1cccc([N+](=O)[O-])c1	787154942	MOWDYFZXSYFOHF-KMDZYBCRSA-N	315.373	3.680	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H](c1ccccc1)C(C)C	788187912	BMJPYAZHTACAAH-QGZVFWFLSA-N	316.376	3.717	50	20	DHGD	
CSSCCNC(=O)c1ccc(-c2ccccc2)nc1C	791098014	SQCHCIQXTUPRCK-UHFFFAOYSA-N	318.467	3.798	50	20	DHGD	
O=C(Cc1cccc(F)c1)NNc1cc(Cl)cc(Cl)c1	791717090	GSBMLPJLNVBDCN-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F	793706992	QZNXISGMGYXHEZ-UWVGGRQHSA-N	300.324	3.763	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCc1cscn1	794480547	GESSUNUCKGVJHO-NSHDSACASA-N	303.474	3.900	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)NC1CCCCC1	799867669	FHIILWLTIMVDEL-CQSZACIVSA-N	314.433	3.727	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ocnc1C1CC1	809796611	QASZIEOLPMTWQS-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1cc(C2CC2)ccn1	810322386	JGBDKHNNIOFWFT-UHFFFAOYSA-N	322.290	3.525	50	20	DHGD	
COc1ccc(F)cc1/C=C(\C#N)C(=O)Nc1cccc(C)c1C	812240346	MEXZZZIKDYIRTQ-OQLLNIDSSA-N	324.355	3.997	50	20	DHGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1ccccc1O	814695308	WJMRNTXSUACKRU-UHFFFAOYSA-N	324.380	3.541	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(-c2ccc(Cl)cc2)o1	814989929	ZPHROPDGNONFCA-UHFFFAOYSA-N	302.761	3.850	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC(OC2CCC2)CC1	842157758	IDILEFNMQQKMMS-LSCVHKIXSA-N	300.377	3.724	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2c(C3CC3)cnn2C)c1	849245764	MMALSSMAVQOZOR-SXGWCWSVSA-N	305.381	3.704	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ccnc(Cl)c1)c1ccccc1	855465242	KWDVAHOYILKIMP-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1ccc(Cl)cn1	856093273	FIXNUTPWOVQNHR-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
COC(=O)[C@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	894027186	FTLDQLSHSSJLHS-QMMMGPOBSA-N	319.295	3.995	50	20	DHGD	
N#CC1=CCN(C(=O)c2c(Cl)cccc2C(F)(F)F)CC1	901268486	XCGCJFLIFXEACJ-UHFFFAOYSA-N	314.694	3.655	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCCCc3ccccc32)cc1	915921932	PHGZYPJFOKPMHV-UHFFFAOYSA-N	321.424	3.654	50	20	DHGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)c1cc2c(s1)CCC2	916315602	XCCYZQLYJREANG-UHFFFAOYSA-N	323.421	3.790	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc2c(c1)CCC(C)(C)O2	920371967	YFRIAGJEWRWNGR-UHFFFAOYSA-N	322.408	3.863	50	20	DHGD	
CCNC(=O)NN=Cc1ccc(-c2cccc(Cl)c2)s1	920825628	UVEXLPODOKPAHR-UHFFFAOYSA-N	307.806	3.722	50	20	DHGD	
O=C(NNc1cccc(F)c1)C(F)(F)c1ccc(Cl)cc1	1116341987	CSVPMMHZVBIRTP-UHFFFAOYSA-N	314.694	3.714	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)nc2)cc1Cl	1319915666	NLCDZEHTRCCXBC-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
O=C(NNc1ccccc1)c1cc2ccc(C(F)(F)F)cc2[nH]1	1323330283	HAFKXOFVVPBPLF-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nnc(-c3ccccn3)o2)cc1	1326495671	ABYUPHBMXDXIJE-SDNWHVSQSA-N	318.336	3.594	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccn1)c1csc2ccccc12	1357678579	IMELVPUDTRKYHO-LLVKDONJSA-N	312.398	3.684	50	20	DHGD	
C[C@H](CN(C)C(=O)c1cccc(CCl)c1)c1nccs1	1358128261	QIIJLQHKCIYQIR-LLVKDONJSA-N	308.834	3.758	50	20	DHGD	
N#C/C(=C\c1ccoc1C(=O)O)C(=O)c1cc2ccccc2o1	1601045755	IXKKMKVCRSOHOI-KPKJPENVSA-N	307.261	3.514	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1cccc(Br)c1	91983530	HRSXGCHLCCPXPD-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1Cl	107066672	FIUKRNUOXPMPJE-XFXZXTDPSA-N	323.776	3.607	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2c(O)cccc2F)cc1	120119336	XCPUWURZYIZDBP-UHFFFAOYSA-N	302.349	3.586	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)C1(c2ccccc2)CC1	120689073	PMSRGUVOKHKYCB-UHFFFAOYSA-N	320.314	3.880	50	20	DHGD	
O=C(C[C@H]1C=CCC1)NNc1cc(C(F)(F)F)ccc1F	128727783	YFARJZALPJDZSB-VIFPVBQESA-N	302.271	3.644	50	20	DHGD	
CCO[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	130419784	GQDFFPRVMWRPPN-KGLIPLIRSA-N	317.520	3.728	50	20	DHGD	
CC(C)[C@H](c1ccccc1)N(C)S(=O)(=O)CCCCCl	154193518	MJVPVUUMQVXLIZ-OAHLLOKOSA-N	317.882	3.664	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1cccc(C(F)(F)F)n1	155932026	ZGIBZDXNELYWQT-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(F)c(F)c1F	158513140	ZQQSSAFCLKUXNK-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(NNC(=O)c2oc(-c3ccccc3)nc2C)cc1	158774117	ZHPGTWXJVLSIGF-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2ccc(F)cc2Cl)c1	158995435	QVSXLPOJCFEXQF-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2)cnn1C1CCCC1	163771686	NTCVXSHRGIEKLQ-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)cc1	171982631	JWNHCHFGNIAMQA-NTEUORMPSA-N	322.330	3.709	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccccc2F)cc1	188607545	XCVUBBANWSSMDN-XDUBLRSXSA-N	324.355	3.619	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cc(Cl)c(F)c(Cl)c1	191927322	HPMKZNYPQOOAIH-VOTSOKGWSA-N	303.120	3.515	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(-c2cccs2)n[nH]1	192909063	CJBCKGSYIWGSMI-UHFFFAOYSA-N	318.789	3.549	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1ccccn1	254378450	GIWYGJTXQGMVCN-UHFFFAOYSA-N	301.349	3.513	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1ccccc1C(F)(F)F)OCC	270048552	QPLOPBLOONRAAI-CYBMUJFWSA-N	316.323	3.520	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2ncc(C(C)(C)C)o2)c1	282664876	OGLBOEMWENQXFY-UHFFFAOYSA-N	315.417	3.665	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)c(C#N)c2)c1	490783209	NZXHYGAMAUDNLD-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
COCc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	490845760	TXYSJZAGZGSCIG-OQLLNIDSSA-N	310.328	3.518	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(OCC(C)C)cc1	588588634	IIQAEQJHSIJUBB-GZTJUZNOSA-N	321.442	3.801	50	20	DHGD	
CCC(=NNC(=O)CC(C)(C)C)c1ccc(OC(F)F)cc1	728431504	VKSUKAGNFJWIMG-UHFFFAOYSA-N	312.360	3.955	50	20	DHGD	
CC(C)(C(=O)NN=CC1=Cc2ccccc2OC1)c1ccccc1	731153484	OFIMHDAUGJNZNM-UHFFFAOYSA-N	320.392	3.542	50	20	DHGD	
O=C(Cc1ccccc1F)NN=Cc1cccc2ccccc12	731317041	TVDUQLLBWDYZBH-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
CCOC(=O)/C(C#N)=C\NCc1ccc(-c2cccc(C)c2)cc1	735461358	GRXMLMYJOPHXCQ-RGEXLXHISA-N	320.392	3.722	50	20	DHGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)C(=O)c1ccccc1	737442796	DZDSUONTNDDNQU-MDWZMJQESA-N	307.740	3.778	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1ccc(Cl)c(F)c1	746700583	LIWHSBIOMOQNMU-HNNXBMFYSA-N	321.783	3.813	50	20	DHGD	
CSCC(=NNC(=O)CCc1ccccc1)c1ccccc1	749744663	FZZSLCYBQHUQNR-UHFFFAOYSA-N	312.438	3.503	50	20	DHGD	
Cc1cc(Br)ccc1C=NNC(=O)c1ccccc1	759178728	DTMJBFDYTAGXCE-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)[C@@H]1CC12CCCC2	761584641	IDYNPMZXGRHYJE-LBPRGKRZSA-N	314.307	3.609	50	20	DHGD	
COc1ccc2c(c1)[C@H](C(=O)NNc1c(C)cc(C)cc1C)CC2	762139329	OXCWUFOGSHXXEO-QGZVFWFLSA-N	324.424	3.794	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C[C@@H]1C	767357152	GFOTYUXYFZOMDW-STQMWFEESA-N	310.401	3.619	50	20	DHGD	
CC(Cc1ccncc1)=NNC(=O)c1ccc2ccccc2c1	767777027	QNPMUWSMFJVKLI-UHFFFAOYSA-N	303.365	3.583	50	20	DHGD	
O=C(NCCC1=CCCCCC1)NNc1cccc([N+](=O)[O-])c1	768450740	HPSVPBHWRVUQRL-UHFFFAOYSA-N	318.377	3.502	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cccc(Cl)c1F	770406951	WFGHSGDVVVMWJW-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
N#CSCCCNC(=O)[C@H]1C[C@@H]1c1ccc2ccccc2c1	773594627	XFISDNUIADDOLS-SJORKVTESA-N	310.422	3.664	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)CC1CCC(C)(C)CC1	780733470	ZTWFGZYHVIBSGT-UHFFFAOYSA-N	318.417	3.523	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C[C@H]2CCCCC2(C)C)c1	780793508	YEERACYEVXYZJA-CQSZACIVSA-N	318.417	3.523	50	20	DHGD	
CC(C)C[C@@H]1CCCCCN1S(=O)(=O)CCCCCl	780800478	STMWHIZJKLIVED-AWEZNQCLSA-N	309.903	3.626	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1c(F)cccc1Cl	781031392	SKUDIXBKEQFHQK-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CC(CCC(C)(C)C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	788980226	FMUQLMDMLPXTEA-UHFFFAOYSA-N	317.433	3.560	50	20	DHGD	
C=C(CBr)CN1CCS[C@@H](c2ccccc2)C1	791460057	GJRHDDUYVLOIRO-CQSZACIVSA-N	312.276	3.728	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794873390	DKZGARCTMGOTPQ-QBFSEMIESA-N	311.360	3.924	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1cccc(F)c1	794945008	XEDGFKZDBUGSLI-VIZOYTHASA-N	323.323	3.931	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)s1	800790966	CADFEYNFPLFTAR-KPKJPENVSA-N	323.377	3.840	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	803055291	XZRDIVRVGOWLDM-KWCYVHTRSA-N	307.825	3.785	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805383685	KXZRZGYXUNATGS-TZMCWYRMSA-N	305.378	3.563	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1cccc2ccsc12	805474148	UOGIFJAXRGLRCK-UHFFFAOYSA-N	324.409	3.716	50	20	DHGD	
Cc1cc(CCCC(=O)N(C)CC(Cl)Cl)c(C)s1	808247221	WAHLWTITUNTFIS-UHFFFAOYSA-N	308.274	3.950	50	20	DHGD	
N#C/C(=C\c1coc(-c2ccccc2)n1)c1ccc([N+](=O)[O-])cn1	812245525	TWLBSKBFAIUXRM-MDWZMJQESA-N	318.292	3.709	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc(F)cc1	812765730	SOIHXLYCYLRHPW-UHFFFAOYSA-N	300.377	3.943	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C1CCN(C(C)C)CC1	812766180	KBIIEJXDOQEVSD-UHFFFAOYSA-N	317.477	3.682	50	20	DHGD	
Cc1cc(C(=O)NN=C2CC[C@H]2C2CC2)c(C)n1-c1ccccc1	814704246	LLJIIKVMDPSCPJ-KRWDZBQOSA-N	321.424	4.000	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1CCCCC1(F)F	828766155	MOEZQRMPZULKMY-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@H]1c1ccccc1	832804879	XXDPEVQCQJMRQI-UONOGXRCSA-N	315.804	3.762	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C2CCOCC2)cc2ccccc12	834438056	FXBPSWCOZUQSTI-BOPFTXTBSA-N	321.376	3.751	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cccc(O)c1Br	840715311	AFKKGPLNCOBJJH-MKVDPYIPSA-N	308.175	3.677	50	20	DHGD	
CC[C@H](NCc1ccc(OCCCCl)cc1)[C@H](O)C(C)C	840969130	YMBUYWOXTOONTO-DLBZAZTESA-N	313.869	3.579	50	20	DHGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)c1cccc(Cl)n1	853412298	ZCSOQXXFFKOHDJ-UHFFFAOYSA-N	319.714	3.573	50	20	DHGD	
CCC(C)(C)C1CCC(=NNC(=O)c2cccc(F)n2)CC1	853441905	GAIOAEFPXJBBTK-UHFFFAOYSA-N	305.397	3.933	50	20	DHGD	
CCCCCN(C(=O)NC[C@@]1(C)C[C@H]1Br)C(C)C	856953158	GDYRZTLIGIFJJV-TZMCWYRMSA-N	319.287	3.770	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2csc(C(C)(C)C)n2)c1	863155282	DZZVLBJNMSIOHQ-UHFFFAOYSA-N	307.444	3.574	50	20	DHGD	
O=C(NN=C1CCc2ccccc21)c1cc2ccccc2cc1O	916270966	WYHHDOMCLQCNNO-UHFFFAOYSA-N	316.360	3.626	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cccc(OCCCc2ccccc2)c1	916595518	NKSBMESHIVALLI-QGOAFFKASA-N	321.376	3.778	50	20	DHGD	
CCOc1ccc(C(CC)=NNC(=O)CC(C)C)cc1OCC	920826267	BXEPGGVAYYDTKW-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1cc(C)n(C(C)C)n1	931781584	ZUCGRQHREDRNDQ-UHFFFAOYSA-N	321.812	3.883	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1cccn1C1CC1)c1ccccc1	1327375932	PKDQJZIXPUBNQI-NRMGUKERSA-N	319.408	3.997	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1ccc(C)c(Cl)c1	1328177054	MHRYEOFDBTXPQO-OAHLLOKOSA-N	310.825	3.829	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1	5712907	AKNMJQONIPCMLB-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1	13915884	VWJZQXSDGNAEFZ-UHFFFAOYSA-N	324.424	3.676	50	20	DHGD	
COc1ccccc1-c1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	125263978	YMRLXIULNJXESZ-ATVHPVEESA-N	320.392	3.794	50	20	DHGD	
Cc1nc2c(s1)[C@@H](N(C)C[C@@H](C)CBr)CCC2	133977115	QDWCQLLWOUZWCT-CABZTGNLSA-N	317.296	3.792	50	20	DHGD	
N#C/C(=C/c1ccc(F)c2cccnc12)C(=O)NC1CCCCC1	164612035	XFSNWGOTYOKBAG-KAMYIIQDSA-N	323.371	3.730	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(SC(C)C)cc2)c1	176716085	UMDBWZGTGVSIAE-UHFFFAOYSA-N	301.415	3.647	50	20	DHGD	
C[C@H](C(=O)NNc1cccc2cnccc12)c1cccc(F)c1	178508031	CUCFHIIOGKSBPB-LBPRGKRZSA-N	309.344	3.621	50	20	DHGD	
CCC1(C(=O)NNc2nc3ccc(OC)cc3cc2C)CCC1	183173778	XSVREVCMMQOTEO-UHFFFAOYSA-N	313.401	3.575	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cnc(C2CCCC2)s1	255511508	LTXLJTYHORTFNY-LCYFTJDESA-N	303.431	3.624	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(OCC3CCCCC3)cc2)CC1	272677975	MQCDGVIMWCBGQO-UHFFFAOYSA-N	324.424	3.942	50	20	DHGD	
C=C(CBr)CN1CCCC[C@H]1[C@H](O)c1ccccc1	369139509	JQVUTMICHQVDTI-JKSUJKDBSA-N	324.262	3.526	50	20	DHGD	
CCCN(N=Cc1ccc(C(C)(C)O)cc1)C(=O)OC(C)(C)C	496197500	XXQRZLXATVAKLN-UHFFFAOYSA-N	320.433	3.895	50	20	DHGD	
Cc1occc1C(=O)NNc1ccnc2cc(Cl)ccc12	725900098	OIXMUXVRQISHHZ-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@@H](C)C2	728440856	WQBHGNRPQRSTOC-LUMBYOQCSA-N	313.397	3.931	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccc(F)c(C)c2)c2ccccc2n1	729141264	ZATQECWLBVCTJX-UHFFFAOYSA-N	321.355	3.755	50	20	DHGD	
CCCCC(CC)=NNC(=O)c1ccc(CN(CC)CC)o1	732925051	PMKKVUYUPUMRCV-UHFFFAOYSA-N	307.438	3.807	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cc(C)ccc1C	734093449	HKJNHOALBTUOPT-UHFFFAOYSA-N	316.788	3.816	50	20	DHGD	
CCc1sc(C(=O)NNc2nccc3sccc23)cc1C	734246936	NSKRKOLUBBGLGP-UHFFFAOYSA-N	317.439	3.986	50	20	DHGD	
CC(C)(C(=O)NN=C1CCc2cc(F)ccc21)c1ccccc1	734299365	NTWOAEMPIRRQEN-UHFFFAOYSA-N	310.372	3.570	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H](C)C(C)(C)C)cc1	734444366	YEDIBZIRIGNKED-DSQDWWTGSA-N	314.429	3.791	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cc(Cl)ccc1OC1CCCC1	742429641	UMUPZYLQDHKEDU-XYOKQWHBSA-N	305.761	3.741	50	20	DHGD	
COc1ccc(CCC(=O)NNc2c(C)cc(C)cc2C)cc1	743763999	ZVPXMLILQBQLQW-UHFFFAOYSA-N	312.413	3.696	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2ccc(Cl)nc2)c(C)s1	745502608	DIXNNMXORMEAJQ-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
CC[C@H](Oc1ccccc1Cl)C(=O)NNc1cccc(C)c1	748840328	DWPDGCVPCYLHQU-HNNXBMFYSA-N	318.804	3.949	50	20	DHGD	
CC(=O)Nc1cccc2c1CCCN2/C(=C/C#N)c1ccccc1	750791379	JJCXCVCXHLWMTR-XDHOZWIPSA-N	317.392	3.962	50	20	DHGD	
C[C@@H]1CC[C@@H](CCC(=O)NNc2cc(Cl)ccc2Cl)O1	752806893	DZXLLNFQLDYAJD-KOLCDFICSA-N	317.216	3.784	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C[C@@H]1C[C@H]1c1ccccc1	755701472	ZODKECRYJUOWFR-ROUUACIJSA-N	317.392	3.547	50	20	DHGD	
Cc1ccccc1C(=O)NN=C/C=C/c1ccc(F)cc1F	758094281	BKAJVTPKPVPARZ-YFICEVNTSA-N	300.308	3.702	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)c2ccncn2)cc1OC	758914473	GQIAIQCEGXIPQQ-GDNBJRDFSA-N	309.369	3.728	50	20	DHGD	
CCC1(CC)C(=NNC(=O)c2cc3ccccc3o2)C[C@@H]1OC	762601866	CJHVLRLMXPJQQK-INIZCTEOSA-N	314.385	3.744	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCCC2)ccc1[N+](=O)[O-]	770569820	XIMFRUIWMHXPOI-NTEUORMPSA-N	314.341	3.660	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(O)ccc3[N+](=O)[O-])[nH]c12	772809228	XOMKHYIKBQCLBH-GHXNOFRVSA-N	320.308	3.549	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2nccc3ccccc23)ncn1	773176156	KERWRDLZDIJMCN-MDWZMJQESA-N	304.378	3.811	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cnn(C(F)F)c2)cc1	780634965	SNYRBEMRKADPFQ-UHFFFAOYSA-N	323.347	3.724	50	20	DHGD	
C[C@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1	785047399	YEPTUCWYLIKICI-RQNDZEIBSA-N	308.356	3.653	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ccc(Cl)cc1C#N	785347273	DKLSRDBHECRNDI-PXNMLYILSA-N	322.751	3.862	50	20	DHGD	
O=C(NN=C1CCC2(CCCO2)CC1)c1cccc(Cl)c1	788013305	BNUCLLNHVOPXHT-UHFFFAOYSA-N	306.793	3.549	50	20	DHGD	
Cc1nc2c(C(=O)Oc3ccc([N+](=O)[O-])c(C)c3)cccc2o1	791470877	IPKYVGDPFNGODR-UHFFFAOYSA-N	312.281	3.572	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1Cl	794873998	IPELAEKWDAUGKH-GHXNOFRVSA-N	305.761	3.950	50	20	DHGD	
CCCN(N=Cc1c(OC)cccc1OC)C(=O)OC(C)(C)C	794998872	XMKBDECKALIGSW-UHFFFAOYSA-N	322.405	3.685	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ccc(OC)cc1	802523291	QDLUIGBIJWDCRN-ZWKOTPCHSA-N	310.397	3.504	50	20	DHGD	
Cc1ccccc1[C@H](NC(=O)NNc1cccc(F)n1)C(C)C	805106312	AHGZCAZZLURRTC-MRXNPFEDSA-N	316.380	3.553	50	20	DHGD	
Cc1cc(NC(=O)NNc2ncccc2C)c(Cl)cc1F	806585276	PCSACLFCWUJRGS-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=CCC1CCCCC1	814747512	XTXMCLIPUWGRJP-ZDUSSCGKSA-N	306.381	3.665	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)c2occc2C)c1	814990727	BCVFJVXNYPJHFF-UHFFFAOYSA-N	321.764	3.796	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2c(Cl)cncc2Cl)c1	815853003	RFZXXTHIGSOKAF-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)cc2OC)cc1	817889743	MEECMAUJSKJUSB-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
CCCCCC(C)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	818250624	UIOPXKYTXLSYSL-HNNXBMFYSA-N	320.433	3.925	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)[C@@H]1CCCC(F)(F)C1	819746426	BFLFACHXJSMAED-SSDOTTSWSA-N	324.158	3.657	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1C[C@]12CCCc1ccccc12	819843463	MDTHXVXCDXJCAJ-CJNGLKHVSA-N	312.240	3.543	50	20	DHGD	
CC(C)(F)CCNC(=O)NNc1cccc(Cl)c1Cl	822110480	RREKQOLINCSNIR-UHFFFAOYSA-N	308.184	3.758	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)C(C)(C)F)cc1OCC	834446604	BXTKECCTLOCGOF-LCYFTJDESA-N	305.349	3.708	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1cc(F)ccc1Br	839879029	NLKONZCENVKWLG-CYBMUJFWSA-N	315.186	3.634	50	20	DHGD	
Cc1ccccc1-c1cccc(C=NNC(=O)[C@@H]2CCO[C@H]2C)c1	842552206	BEFWHIRJTVPNEH-HNAYVOBHSA-N	322.408	3.537	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2nc(C(F)(F)F)cs2)CC1	844135816	XGWUHNNORIZSKN-SECBINFHSA-N	319.352	3.742	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@@H]1CCCS1	846463893	IRLNDCQMCUKLAF-KRWDZBQOSA-N	312.438	3.616	50	20	DHGD	
COCc1csc(/C=C(\C#N)C(=O)OC2CCCCC2)c1	849179436	ROTFVVDPZOSSBO-MDWZMJQESA-N	305.399	3.677	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Cc1ccccc1OC(C)C	855368076	YQJFNDLOXGFURQ-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
C[C@H](CCCC(F)(F)F)NC[C@@]1(C)C[C@@H]1Br	857064216	SKWDWMLSVRSHBT-KXUCPTDWSA-N	302.178	3.871	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCCc2cccnc21	885127005	KCXCRTNYOLQENP-AWEZNQCLSA-N	315.804	3.607	50	20	DHGD	
Cc1nc(C)c(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)s1	899893052	LKBYWNGTWVOXAK-UHFFFAOYSA-N	306.343	3.504	50	20	DHGD	
CC[C@](C)(C#N)C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912580243	BHTFIASQRRNPPC-XJKSGUPXSA-N	310.514	3.549	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1cccc(OCC)c1	915987115	SNHOHHDIPXXICO-VBKFSLOCSA-N	300.402	3.689	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)o1)c1ccc(O)cc1	916265270	CRYHKGATKNYFHH-UHFFFAOYSA-N	324.311	3.555	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2c(C)cc(C)cc2C)cc1	920378111	WALMTYQHRPHVSZ-UHFFFAOYSA-N	324.424	3.703	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2Cc3ccc(C)cc3S2)c1	1116346698	YDIOVQGSZZDGRD-QGZVFWFLSA-N	312.438	3.772	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1	1320698992	SYWIDWKABLYGTI-SNVBAGLBSA-N	322.771	3.570	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(C(=O)O)c(F)c3)[nH]c12	1777448234	GCOWFFIBRIGWBD-GHXNOFRVSA-N	321.311	3.773	50	20	DHGD	
N#CC(C#N)=Cc1ccc(OC(F)(F)[C@@H](F)C(F)(F)F)cc1	7155060	CFDRBGRVVKWPPG-NSHDSACASA-N	320.192	3.989	50	20	DHGD	
COc1ccnc(NC(=O)CCCC[C@H]2CCSS2)c1	89987031	AJCKKMFXSXFFSB-LBPRGKRZSA-N	312.460	3.743	50	20	DHGD	
C[C@H](CC(=O)NNc1cc(C#N)cc(Cl)n1)C1CCCCC1	93295807	GVEDKCVKGAEEFI-LLVKDONJSA-N	320.824	3.656	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NNc1ccnc2ccccc12	106923871	ZOGRPCIQNBZFLX-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1C[C@H]1c1ccc(Cl)cc1	114962673	SFZJHGQJPRUIJT-LSDHHAIUSA-N	301.777	3.522	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cccc2ccccc12	120091284	HUHIIYPAMGNHGD-QGOAFFKASA-N	322.408	3.678	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCCc2sccc2C)c1	127745392	SKNVBOJPERYBMJ-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3cccc(Cl)c3)CC2)cc1	127995368	RFIKXNJOZRMFKK-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cn2)c(C)s1	131765073	JKVRFVDTVJGLNS-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	158836820	UZVOZYZIBFMAHI-WZUFQYTHSA-N	324.771	3.653	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NC(CC)(CC)c1ccc(Cl)cc1	159335561	CXBWEUVCNIAGEU-SEYXRHQNSA-N	320.820	3.915	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	173749247	CBJHWQWMGRXKJM-HNNXBMFYSA-N	304.340	3.848	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)c1nc(C)cs1	176675802	YCNJEPDSPPINSK-NTEUORMPSA-N	300.383	3.541	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(C#N)s1)c1ccccc1	188581400	FXAIEOLRPOLDSB-IDKBZEPQSA-N	321.405	3.794	50	20	DHGD	
CC(C)c1cnc(NC(=O)NNc2c(F)cccc2F)s1	192391533	SKXNQHNYLFSCLR-UHFFFAOYSA-N	312.345	3.693	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1	255366637	UEHAJYXJKHOZAJ-XFFZJAGNSA-N	302.255	3.650	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)Cc2occc2C)cc1	293869413	DWFNFEMTDJNAPZ-LFIBNONCSA-N	324.380	3.552	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)o1	490692683	HMYWSBQKOXHZMZ-WZMONFQBSA-N	324.380	3.635	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1ccsc1Cl	491048100	KIJAFCVPYLOEOK-DHZHZOJOSA-N	318.785	3.956	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1cc2ccccc2[nH]1	491163014	VBRDFXVYAWYFNG-OQLLNIDSSA-N	319.339	3.530	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(Br)c1	726430522	TXTBWSVJSIVOEA-BZPKPHBRSA-N	322.202	3.980	50	20	DHGD	
C=CCOc1ccc(C=NNC(=O)C2CCCC2)cc1Cl	727255215	LGJYOWAFWBMNKO-UHFFFAOYSA-N	306.793	3.545	50	20	DHGD	
CC(C)(C)OC(=O)NN=C(CC1CCCCC1)c1ncccn1	733901832	HSIKUTBUEFFLPC-UHFFFAOYSA-N	318.421	3.676	50	20	DHGD	
CCOC(=O)NN=C(Cc1ccccc1)c1sccc1C	735971003	MWQOCQMUAXWJRI-UHFFFAOYSA-N	302.399	3.749	50	20	DHGD	
Cc1ccoc1C=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	743424002	ZTUUNLWXTNEBET-UHFFFAOYSA-N	321.380	3.759	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1CCCSC1	748966538	OOHBARZINXZHQS-SECBINFHSA-N	320.245	3.515	50	20	DHGD	
CCc1nc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)co1	753723117	CRCFMBFVJGWYGQ-UHFFFAOYSA-N	312.281	3.518	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1/C=C(\C#N)C(=O)NC(C)C	756788269	UFNSRSNGYSIFGE-LDADJPATSA-N	320.392	3.794	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)cnc1Cl	760211161	NCHRBBDPJSIYMR-MDWZMJQESA-N	304.777	3.826	50	20	DHGD	
Cc1ccsc1CCNC(=O)[C@H](Br)C(C)(C)C	768388047	ZPMPHQTXYFEIMC-NSHDSACASA-N	318.280	3.525	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@H](C)c1ccc(F)cc1	770371648	BIKPUSXYWRQBQL-MNOVXSKESA-N	317.198	3.894	50	20	DHGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1ccc(C#N)cc1	773492884	ONLPENYMHQDDOF-UHFFFAOYSA-N	323.396	3.630	50	20	DHGD	
CC(C)(C)CCC(=O)NNc1ccccc1OC(F)(F)F	779201408	PHSJLEOTYUIVBJ-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(C)c(C)c2Cl)cc1	783650301	AAGAAAQDHFHEIN-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
C=C(CBr)CN(CCC)CCc1cccs1	791492247	BLGSQWCJCWJDOT-UHFFFAOYSA-N	302.281	3.954	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1cccc(Cl)c1	795020315	CIDLEJCSOQEHKH-UHFFFAOYSA-N	300.745	3.772	50	20	DHGD	
C=C(CBr)COC(=O)/C=C/c1ccc(Cl)cc1	795354642	VTAGJWCPWLDNEN-QPJJXVBHSA-N	315.594	3.848	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](c1ccccc1)C1CC1	795576117	WYGJXHAICXXKID-AWEZNQCLSA-N	309.203	3.675	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(C(F)F)cc2)cc1	814997957	MVTSCKVGBCOVDE-UHFFFAOYSA-N	319.311	3.788	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(F)c2Cl)cc1	817889267	CFOCHUYHGSFSOX-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2nc3c(C)cccc3s2)o1	828362293	GLMTZTHZVWHVDB-LLVKDONJSA-N	315.398	3.753	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1csc(-c2ccccc2)n1	841619179	KQWBVGAVDZKINR-UHFFFAOYSA-N	301.415	3.696	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)CSc1ccccc1O	853350230	FFKNKSZZCOWGSR-ZDUSSCGKSA-N	318.442	3.723	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCc2cc(F)ccc21	854334991	AZQTXEGXJYHZMR-QGZVFWFLSA-N	312.388	3.870	50	20	DHGD	
CSc1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)cc1	916340861	PYWPVDHKGIUVKH-UHFFFAOYSA-N	323.421	3.583	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1ccc(F)cc1Cl	917548466	JYFIXZFYQJXQSQ-UHFFFAOYSA-N	320.751	3.647	50	20	DHGD	
C[C@H]1CCCC[C@@H]1NC(=O)NNc1ccccc1C(F)(F)F	918155462	QKQSDZVBPLXNHA-JQWIXIFHSA-N	315.339	3.910	50	20	DHGD	
CC(C)(Oc1ccccc1)C(=O)NNc1c(F)cccc1Cl	1116659595	LKBJCIVSIOLFNQ-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
N#CC1=CCN(C(=O)c2sc3cccc(F)c3c2Cl)CC1	1137601832	ZRXSBMRRDDWRCJ-UHFFFAOYSA-N	320.776	3.990	50	20	DHGD	
CCn1cc(N(CC(C)C)C(=O)c2cccc(CCl)c2)cn1	1347128594	KRGULVWSBMXOJM-UHFFFAOYSA-N	319.836	3.945	50	20	DHGD	
C[C@H]1c2ccccc2OCCN1C(=O)C1CCC(Cl)CC1	1528619899	MFYROLZZFWPSNX-HSBZDZAISA-N	307.821	3.766	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2cccc(OC)c2)s1	6958723	TWGBMMZRZUEOSV-XFXZXTDPSA-N	312.394	3.865	50	20	DHGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)NC1CCCCC1	33408095	DEJRMRSRPAIDTH-RAXLEYEMSA-N	320.339	3.644	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	67006311	QHCDVDDTRXIASL-LCYFTJDESA-N	306.793	3.649	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1csc(C2CC2)n1)c1ccccc1	112224413	IDFYAYHJLMGAHM-LCYFTJDESA-N	309.394	3.590	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1coc(-c2ccccc2)n1	119143021	ZHYJNFXBCWWBKM-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)cc1	120428020	DPLRJGBQLBMUHK-GFCCVEGCSA-N	300.427	3.938	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)c1cccc(F)c1	175446377	RTFSUXADAHIARC-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCC[C@@H]1CCCO1	177934150	WFRDRRQGMYUROV-QWHCGFSZSA-N	304.477	3.813	50	20	DHGD	
CC1(C(=O)NNC(=O)CCCc2ccccc2)CCCCCC1	180701137	YTXZQSFKRMDIOI-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
CCCCCOc1ccc(/C=C(/C#N)C(=O)NC(C)C)cc1	208042774	IRHKBGGAUDXHAK-VBKFSLOCSA-N	300.402	3.687	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(CC)CC(C)C)c1C	220171693	LCSPWSTYOFAYHH-WQRHYEAKSA-N	315.461	3.926	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1cc2cc(Cl)ccc2o1	725854423	GRXIFQGVYCRGKS-UHFFFAOYSA-N	301.733	3.568	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)c1nc2ccccc2[nH]1	726876349	OSHGHRAZVZUDBD-SOFGYWHQSA-N	318.167	3.667	50	20	DHGD	
Cc1cc(C=NNC(=O)C2CCC2)c(C)n1C1CCCCC1	731932235	DFCXEZLECBYFTJ-UHFFFAOYSA-N	301.434	3.860	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(F)c(F)cc1F)C1CCCCC1	745837632	HXVJORQADBXCFT-SECBINFHSA-N	315.339	3.699	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cnc(C2CC2)s1	746701451	XHODTMIGOPVQJQ-UHFFFAOYSA-N	311.769	3.570	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2ccc(F)cc2F)cc1	747357021	HDIMEADTCGMJSB-UHFFFAOYSA-N	318.367	3.849	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])c1	747823343	IIRFKYNQZXGWDL-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1c(Cl)cccc1Cl	751525064	CQEOQPIHSJWWLM-JTQLQIEISA-N	315.200	3.526	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(Br)c(Cl)c1	754914320	UKIAYUJKZNZBND-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
C[C@@H](CCCC(F)(F)F)NC(=O)NNc1ccc(F)cc1	756038766	YPHKIDSWPZATAF-VIFPVBQESA-N	307.291	3.573	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(C#N)cc2)ccc1[N+](=O)[O-]	766779731	UCCYYOYPEDIPAE-NVNXTCNLSA-N	305.293	3.539	50	20	DHGD	
CC(C)C[C@@H]1CCCN1C(=O)[C@@H](Br)C(C)(C)C	767931754	UOBOMUJJCZNPSQ-NWDGAFQWSA-N	304.272	3.833	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)[C@@H](Br)C(C)(C)C	768429427	BJLXWNOPQDFMBS-LLVKDONJSA-N	315.211	3.609	50	20	DHGD	
COc1ccsc1C(C)=NNC(=O)c1cccc(Cl)c1	769779342	WQJHWPQFOOZRHG-UHFFFAOYSA-N	308.790	3.564	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2F)nn1C1CCCCC1	776489817	AZMQEVCXLCLICX-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCc2ccccc2)ccc1Cl	779707313	MIYKIEUJIYYZJY-MHWRWJLKSA-N	310.784	3.872	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1ccc(SC2CCCC2)cc1	782238633	SUQHWMSGUKBTGV-UHFFFAOYSA-N	312.385	3.827	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccc(Cl)cc2)CC1	808247414	YTBPXHFIVXOLPR-UHFFFAOYSA-N	306.620	3.634	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@@H]1CCC(=O)[C@@H]1C	812765902	ZBKXSYXIQHXSAI-KGLIPLIRSA-N	302.418	3.567	50	20	DHGD	
CCc1nc(C)c(CNCc2ccc(OCCCCl)cc2)o1	814178864	GNOMSBVLEQUABV-UHFFFAOYSA-N	322.836	3.843	50	20	DHGD	
O=C(Cn1cnc2ccccc21)NN=C1CCCCC12CCCC2	814729532	UPEBXRZYVNEOEJ-UHFFFAOYSA-N	324.428	3.643	50	20	DHGD	
O=C(NN=Cc1cncs1)Nc1ccc(Cl)cc1Cl	814996126	SNKJMSNBLGPLGW-UHFFFAOYSA-N	315.185	3.606	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2ccc(F)c(F)c2)cc1	814997367	LIDYSGNSVYLSLN-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2c(Cl)cccc2Cl)C1	815817974	RDXRWUZWHZMAKX-VHSXEESVSA-N	317.216	3.642	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCC[C@H]1c1ccccc1	825745995	BEUVIRVXWNFLMO-LSDHHAIUSA-N	316.351	3.992	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cnn(CC(C)C)c1C	836933389	IXNSSWYVKOOGBI-UHFFFAOYSA-N	320.824	3.566	50	20	DHGD	
CCNc1ccc(Cl)cc1C(=O)N(C)CC(Cl)Cl	848084007	DYISIQLUQVGMOW-UHFFFAOYSA-N	309.624	3.648	50	20	DHGD	
Cc1ccccc1C1(C(=O)NCCCSC#N)CCCCC1	854362393	MNCXEWFTXXGODD-UHFFFAOYSA-N	316.470	3.918	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCC1CSC1	854981038	VWPPSOAVDRUUSH-LBPRGKRZSA-N	305.534	3.570	50	20	DHGD	
C[C@]1(C(=O)N2CCC[C@@H](c3ccccc3)C2)C[C@H]1Br	908371663	DRTYVCGLOSFJQZ-FMKPAKJESA-N	322.246	3.566	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)c1cccc(N(C)C)c1	916280639	JJEQMWSMTUIZFO-UHFFFAOYSA-N	303.450	3.931	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cc(C)cc(C)c2)c1	916612001	WNMJPGJHGMRJSF-ZDLGFXPLSA-N	321.376	3.962	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cn1ccc2ccccc21	918491867	KLRXRBWJNXBMNC-UHFFFAOYSA-N	324.336	3.772	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)[C@@H](C)CC)c1C	920016252	VKGOBPNUGUUNHB-OCUXDJNSSA-N	315.461	3.973	50	20	DHGD	
O=C(NN=Cc1csc(-c2ccsc2)n1)c1ccccc1	920355713	FMNAVTVWRVNEPA-UHFFFAOYSA-N	313.407	3.636	50	20	DHGD	
O=C(CCl)N1CCC(Sc2ccc(Cl)cc2)CC1	1319683001	UNNGVMUXEDXGOT-UHFFFAOYSA-N	304.242	3.662	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1Cc2ccc([N+](=O)[O-])cc2C1	1319934858	UETJTGAQYNUDTH-IDUWFGFVSA-N	309.300	3.614	50	20	DHGD	
CC(C)c1nnsc1C(=O)NNc1ccc(C(C)(C)C)cc1	1336430397	AFVIWJIRFZEMIM-UHFFFAOYSA-N	318.446	3.716	50	20	DHGD	
O=C(N[C@@H]1CCOC2(CCCCC2)C1)C1CCC(Cl)CC1	1351667145	TXMPLFPNXKJGBY-YMAMQOFZSA-N	313.869	3.782	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2ccc(F)cc2)s1	14180562	MZTOPAIUGCHGET-JLHYYAGUSA-N	314.385	3.987	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(OC)cc1	33362220	SHPIKOZOUOZUIZ-QINSGFPZSA-N	322.364	3.640	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc2ccccc2cc1O	118514987	AMHBHENYXHGMSO-UHFFFAOYSA-N	314.291	3.581	50	20	DHGD	
CC(C)[C@@H](CC(=O)NNc1ccc(C#N)cc1)c1ccccc1	155227284	JZGGRNSVFVWGTI-GOSISDBHSA-N	307.397	3.831	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C1(Cc2ccccc2)CC1	175705723	ZIXUAHXZZMTLRT-UHFFFAOYSA-N	300.789	3.806	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2Cl)s1	177891383	WIHVRRHWLZUQPR-CSKARUKUSA-N	318.785	3.956	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCO[C@H](c2ccccc2)C1	386318789	DZOISDLZERKUHL-KRWDZBQOSA-N	315.800	3.639	50	20	DHGD	
CN(N=Cc1ccccc1Br)C(=O)OC(C)(C)C	490754509	PXXPGXHUEVSZQY-UHFFFAOYSA-N	313.195	3.650	50	20	DHGD	
CC[C@H](C)[C@H](C)N(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CC1	588515697	KRHRBGLRIILPQW-XFPDNBNNSA-N	312.413	3.725	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)COc1ccc(OC)cc1	727253446	BYZZLYYTSPEZNW-CQSZACIVSA-N	318.417	3.537	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-c2ccccc2OC)cc1	741461890	SDMNGTJGQLGVPP-AWEZNQCLSA-N	310.397	3.858	50	20	DHGD	
CCC(C=NNC(=O)c1sc2nc(C)cc(C)c2c1N)CC	744775895	GZMSRZRSXATZBO-UHFFFAOYSA-N	318.446	3.647	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cc(OC)cc(OC)c1	748244931	VATSMDIBHXLNLM-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
CC(C)=C[C@@H]1[C@@H](C(=O)NNc2cccc3cnccc23)C1(C)C	748763961	OIGFLAIKKMFACV-WBVHZDCISA-N	309.413	3.916	50	20	DHGD	
CC(C)CC1(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	752542646	FDHYRESNEVLEPN-OQLLNIDSSA-N	300.377	3.675	50	20	DHGD	
Cc1ccc(C=NNC(=O)CC(C)(C)C)c(Br)c1	753700584	MCPDAJHNBBJPKM-UHFFFAOYSA-N	311.223	3.644	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1cccc(C#N)c1	754274264	KRHAXYXBCQQXTC-GDBMZVCRSA-N	319.408	3.991	50	20	DHGD	
CN(C)c1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	767031092	SLCDBMCHLATMDN-GFCCVEGCSA-N	313.239	3.501	50	20	DHGD	
C[C@@](O)(C1CCN(/C(=C\C#N)c2ccccc2)CC1)C(F)(F)F	767912648	IGNFORLRSUFGAP-NXADEVLQSA-N	324.346	3.576	50	20	DHGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)C1CCCCC1	768183564	YYKALLVCLIASJA-PWSUYJOCSA-N	304.272	3.881	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1cccc2c1CCCC2	769925000	JFJASSAWSFYKNR-UHFFFAOYSA-N	316.792	3.762	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@H]1CSc2ccccc21	771328661	WMJMUTKDZBHIMD-ZDUSSCGKSA-N	317.389	3.607	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1cccc(F)c1	773171028	KUXSDICXJNLJOT-RMKNXTFCSA-N	324.142	3.656	50	20	DHGD	
CC(C)c1cccc(C(C)C)c1NC(=O)NNc1ncccn1	775413983	CSCVQQKVHWYYLR-UHFFFAOYSA-N	313.405	3.872	50	20	DHGD	
N#Cc1ccc(NNC(=O)C[C@H]2C=CCCC2)cc1C(F)(F)F	779011953	NETHLPVASGOULS-NSHDSACASA-N	323.318	3.767	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)CCc1ccccc1O	779777535	SNGBXWABJCPYDE-AWEZNQCLSA-N	304.434	3.889	50	20	DHGD	
C[C@H]1CC[C@@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	780782121	HOHXRDVTKVVXIH-VHSXEESVSA-N	301.312	3.520	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc3n[nH]cc3c2)cc1	780802968	ZPBFACATXGUTCS-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H](c2ccccc2)C1	781083279	XMRFINKTEUVIIH-KGLIPLIRSA-N	324.262	3.812	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@@H](C)C[C@@H]2C)cc1	783831408	KQTKRPJWZPZHGF-KGLIPLIRSA-N	302.418	3.556	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(SC)cc2)ccc1Cl	790179987	KLWVTDDIHHUSOL-UHFFFAOYSA-N	322.817	3.827	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1occc1C(C)C	790412732	FAEJNTRMIXZQDV-UHFFFAOYSA-N	305.286	3.539	50	20	DHGD	
CSSCCNC(=O)[C@@H](C)Sc1ccccc1Cl	791097976	RMZODNRIFNXYDG-SECBINFHSA-N	321.920	3.948	50	20	DHGD	
C=C(CBr)CN(Cc1ccccc1)CC(F)F	791473503	NFLBEWGYJCJDEO-UHFFFAOYSA-N	304.178	3.705	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)Oc1ccc([N+](=O)[O-])cc1OC	793331890	XCPKJGIOUVQVEB-YPMHNXCESA-N	307.346	3.725	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)c(C)cc1Cl	793705574	DKMIQYKTOMVWMD-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCC[C@H]1c1ccccn1	794904424	GDTRLELBBAPFQO-KRWDZBQOSA-N	321.424	3.844	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCCN1CCCC1	794952234	FWQINVRNZRACKI-UHFFFAOYSA-N	317.477	3.828	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)c1c(F)cccc1F	795573878	PEOQYDGPXRYNOJ-VIFPVBQESA-N	319.145	3.563	50	20	DHGD	
O=C(Cc1coc2ccccc12)NNc1ccc2ccccc2n1	803037811	JQUPHNOEIQJSBV-UHFFFAOYSA-N	317.348	3.667	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)CCCCC(C)(C)C	804647737	AYIXRVAABTYAJR-UHFFFAOYSA-N	305.422	3.754	50	20	DHGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NCC(Cl)Cl	808131263	RRSFJXPTHKAUMD-UHFFFAOYSA-N	309.196	3.591	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCCOc1ccccc1Cl	808247136	ULQKXTOBIHTQPZ-UHFFFAOYSA-N	324.635	3.761	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@H](CC#N)c2ccccc2)cc1	817899619	NVMLGUPVTPPEJD-INIZCTEOSA-N	323.396	3.616	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccccc2SC)cc1	817915401	LLIXIKGEASJVIX-UHFFFAOYSA-N	302.399	3.564	50	20	DHGD	
CCC(C)(C)C1CCC2(CC1)C[C@@H]2C(=O)NNC(=O)CC1CC1	819136174	OPGHTRLDDVOYAH-XAUUPUKJSA-N	320.477	3.567	50	20	DHGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	828827834	AFRVVRHSBLLVIN-PSASIEDQSA-N	302.205	3.514	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H]2CCCC(F)(F)C2)c(Cl)c1	838522303	FNFNDZBXSYASAK-SNVBAGLBSA-N	317.767	3.852	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1Br)C(=O)C1CCCC1	840721323	SHZMECQKHNNVQY-XYOKQWHBSA-N	320.186	3.821	50	20	DHGD	
CC[C@H](C)C[C@H](CO)NC(=O)CCCC[C@H]1CCSS1	844031369	QWYKHOYBNMWVDH-MJBXVCDLSA-N	319.536	3.614	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2C[C@H]2C)c1C	915289702	BISMPAUAUDIWDH-SWAWKDMHSA-N	313.445	3.584	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-n3ccc(C)n3)cc2)c1	915638775	FICRAMYQJXTFRG-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
COc1ccc(/C=C\C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	917369422	GJRJSQZCJLHMIP-YHYXMXQVSA-N	313.309	3.531	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)c2nnc(CC3CC3)o2)c1C	1117226951	JFBSBFINVKDTQR-MHWRWJLKSA-N	310.401	3.915	50	20	DHGD	
CCN(C)C(=O)c1cccc(NC(=O)C2CCC(Cl)CC2)c1	1263824729	NAQBXAYCAZMNHL-UHFFFAOYSA-N	322.836	3.515	50	20	DHGD	
Cc1ccc(NNC(=O)C2(C(=O)O)CCCCCC2)c(Cl)c1	1594373297	OTFYIXRWLLAROM-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
Cc1c(NNC(=O)CC2CCC(C)(C)CC2)cccc1C(=O)O	1600052722	QPKZHLRGLTYVEG-UHFFFAOYSA-N	318.417	3.743	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2c[nH]c(C(=O)O)c2)s1	1603545791	ODMBMSPGVLYUBP-ONNFQVAWSA-N	301.371	3.531	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(CC(=O)O)c2)n1	1776381146	CMMFMLOSYOZUJP-AUWJEWJLSA-N	312.394	3.958	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc2[nH]c(=S)oc2c1	81244799	LRCMFGJEVDCOIB-UHFFFAOYSA-N	319.773	3.901	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(F)cc2C)CCCC1	119070180	LHYGKYGRXMXBCK-UHFFFAOYSA-N	308.397	3.564	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1ccncc1Cl	119457848	WSOMMOSSAAVZFD-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cc2c(s1)CCCCC2	128483372	YSCIDPYUNIAQRY-UHFFFAOYSA-N	321.833	3.822	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc(C(F)(F)F)cn1	132222079	YZZOPRXTSXLODJ-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
Cc1cc(C(=O)NNc2nc(C(F)(F)F)cs2)c(C)s1	153034907	OYUBWBAVPPLULL-UHFFFAOYSA-N	321.349	3.597	50	20	DHGD	
N#C/C(=C/c1ccccc1C(F)(F)F)C(=O)Nc1ccncc1	160746574	ZQQAGNUNKXITJQ-XFXZXTDPSA-N	317.270	3.646	50	20	DHGD	
CNc1snc(C)c1C(=O)NNc1ccc(C(C)(C)C)cc1	181128809	SEPHLNGSXYIXCE-UHFFFAOYSA-N	318.446	3.548	50	20	DHGD	
CC(C)(C)CCC(=O)NNC(=O)c1c(Cl)cccc1Cl	265584683	YUYAPBILAJKEIH-UHFFFAOYSA-N	317.216	3.581	50	20	DHGD	
CSc1cc2c(cc1/C=C(\C#N)C(=O)CC(C)C)OCCO2	266006100	PRYLLLYCCBQZER-NTUHNPAUSA-N	317.410	3.702	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)[C@@H]1CCCOC1	280908715	GHKZJDZKWFGKSL-LAPSENCUSA-N	310.180	3.896	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cnc(Cl)c(C)c1	490725733	KAOPFPYSOIHEOF-RIYZIHGNSA-N	311.772	3.898	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	588534466	CGVRYJUVSCGUIP-OQFOIZHKSA-N	303.667	3.829	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1ccccc1O	727781103	DSRPSKMQNUTFCT-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cccc(OC2CCCC2)c1	728428685	GUHBEHWCFBBLGJ-UHFFFAOYSA-N	302.418	3.894	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1cccc(C)c1	734093500	JHKDCAPSHRPUGY-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1cc(F)c(F)cc1F	734553641	RROBKPNMJZIDTR-SECBINFHSA-N	300.324	3.763	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2sc(CC)nc2C)cc1	735228486	XIQGHCHJOZDUBF-UHFFFAOYSA-N	315.442	3.730	50	20	DHGD	
CC1(C)Cc2cccc(/C=C(/C#N)C(=O)Nc3ccccc3)c2O1	737443799	MJXDLWGWNFUBMI-WJDWOHSUSA-N	318.376	3.946	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2cc3ccccc3[nH]2)c(C)c1	746979231	WLMCONAFVSQYOR-UHFFFAOYSA-N	322.412	3.919	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1cccc2cccnc12	747362066	LBOJWKGFEAXUGI-UHFFFAOYSA-N	317.392	3.973	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2cccc(F)c2)o1	748098802	BFPAXWLUPOWTBN-XHDPSFHLSA-N	302.349	3.618	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cccc4cnccc34)CC2)c1	748758806	FNLLGDXJPKPCQU-UHFFFAOYSA-N	317.392	3.718	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1ccsc1	749099245	MRLVTESGSJVSMP-AWEZNQCLSA-N	316.426	3.673	50	20	DHGD	
CCc1nc(CN(C)/C(=C\C#N)c2ccc(F)cc2)cs1	750793661	ANAXUTIGIAACGN-NVNXTCNLSA-N	301.390	3.841	50	20	DHGD	
C[C@H](CCc1ccco1)NC(=O)[C@H](Br)C(C)(C)C	766978068	NVBJOJHDKVFDBQ-PWSUYJOCSA-N	316.239	3.527	50	20	DHGD	
CC(C)c1ccc2c(c1)C(=NNC(=O)c1ccccn1)CCCO2	767744160	OROGOWUUZIQCGM-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCc2c(Cl)cccc21	776230657	KVPZAADYLILNAS-LLVKDONJSA-N	322.195	3.562	50	20	DHGD	
Cc1cccc(NC(=O)NNc2nc(-c3ccccc3)no2)c1C	778233185	KRXYBOGEOQHLDE-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)c1cc2ccccc2s1	788326822	HDWQCAKNFQOZFK-MDWZMJQESA-N	321.405	3.987	50	20	DHGD	
CCOC1CC(CC(=O)NNc2cc(Cl)ccc2Cl)C1	789819067	WTQYIVCKQDRMAL-UHFFFAOYSA-N	317.216	3.642	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(O)c(O)c1)C1CCCCC1	794550745	JZRVMJPUYZLTLQ-UHFFFAOYSA-N	304.390	3.564	50	20	DHGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1cccc(C)c1	794923491	NKSBFOZUVRAGEY-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc(OC)cc2c1O[C@@H](C)C2	794955061	UAQBHKDJOCMYBW-AAWHYMEISA-N	313.397	3.931	50	20	DHGD	
CC(C)(C(=O)NN=C1CCC(C(F)F)CC1)c1ccccc1	799479678	BWFBZQRGYUHHPZ-UHFFFAOYSA-N	308.372	3.892	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(C)cccc1[N+](=O)[O-]	799754892	QQJSWCZRGNOZAW-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	807958402	WRYHHEKFVUAHNE-ZDUSSCGKSA-N	317.433	3.560	50	20	DHGD	
COc1ccc(NNC(=O)/C(C)=C/c2cccc(Cl)c2)cc1	810345743	ONFDOUZCABKFDE-ZRDIBKRKSA-N	316.788	3.895	50	20	DHGD	
OCc1ccccc1NCc1ccc(OCCCCl)cc1	811469250	FFJVITUXOHKZSS-UHFFFAOYSA-N	305.805	3.799	50	20	DHGD	
COc1ccc2oc(/C=C(/C#N)c3ccc([N+](=O)[O-])cn3)cc2c1	812245402	SZWVOHMTRPYRLU-WQLSENKSSA-N	321.292	3.809	50	20	DHGD	
CCC[C@@H]1C[C@H]1C(=O)NNc1ccc(OCC(F)(F)F)cc1	812538732	UOIVZLYNEXYUCR-ZWNOBZJWSA-N	316.323	3.507	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2cnn(CC(F)F)c2)s1	814183523	VWRQQPRCOKDJFX-WCIBSUBMSA-N	322.384	3.966	50	20	DHGD	
COc1cc(Cl)cc(C(=O)NNc2cccc(Cl)c2)c1	814269370	YEBFBSIBVVFIIL-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCC[C@H](O)c2ccccc2)c1	830786592	XFGWQAOBNNHEJE-SFHVURJKSA-N	312.413	3.650	50	20	DHGD	
CC1(C(=O)NNc2cc(C(F)(F)F)ccn2)CCCCC1	832968583	OOFMPTGOXDUOFP-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1cccc(O)c1Cl	834400980	OIMWJEULATVOCN-OIVWFDOYSA-N	318.804	3.647	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC1(C(F)(F)F)CC1	837682040	QPQNPJXQCTXWQM-VIFPVBQESA-N	313.410	3.912	50	20	DHGD	
N#CC1(C(=O)NNc2cccc(Cl)c2Cl)CCCCC1	838343358	QVAHYNZTRPFDAR-UHFFFAOYSA-N	312.200	3.911	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C1SCCCS1	841438866	VNNCNYFXULOACQ-UHFFFAOYSA-N	310.488	3.758	50	20	DHGD	
Cc1c(C=NN(C)C(=O)OC(C)(C)C)c2ccccc2n1C	853292729	WHARYKFZBPOJCU-UHFFFAOYSA-N	301.390	3.688	50	20	DHGD	
O=C(NNc1cc(Cl)nc(Cl)c1)C1CCC2(CC1)CC2	854989896	CUUFWBVNSNMKPG-UHFFFAOYSA-N	314.216	3.802	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(F)c1Cl)C(=O)[C@H]1CCCOC1	863189966	JZAXEUBCAZIJEK-CMWXKVOJSA-N	311.715	3.521	50	20	DHGD	
Cc1cc(F)ncc1C=NNC(=O)c1ccc(C(C)(C)C)cc1	901144726	WDZCAOKUOFEPML-UHFFFAOYSA-N	313.376	3.591	50	20	DHGD	
Cc1cccc(C=NNC(=O)Cc2ccc3ccccc3c2)c1	915975332	BABXTTFQOQPTCB-UHFFFAOYSA-N	302.377	3.841	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccc(O)cc1)c1cccs1	917531447	RVVAJCQPUWFJLK-UHFFFAOYSA-N	302.399	3.634	50	20	DHGD	
C[C@@H](CNC(=O)NNc1ccc(Cl)cc1Cl)C1CC1	920053120	DCEUBRCXQKJNFV-QMMMGPOBSA-N	302.205	3.666	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(Cl)c(F)c2)cc1	921256830	ZXCVYUKKRPZELN-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
CCc1nc(C)c(C(C)=NNC(=O)c2ccccc2Cl)s1	1116079962	ACPFZVNGFMRXOW-UHFFFAOYSA-N	321.833	3.821	50	20	DHGD	
C=C(C)CCC(=O)NNc1c(F)cc(F)cc1Br	1120949896	LDTCPBPIFFWOKW-UHFFFAOYSA-N	319.149	3.527	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1cccc(C(F)(F)F)c1	1256639001	MHWXYDLXNPJSSV-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
C[C@H](C(=O)OC[C@@H](C)CBr)c1ccc(F)c(F)c1	1320637060	NEDGWBKHCGCQAN-IUCAKERBSA-N	321.161	3.643	50	20	DHGD	
C[C@H](CN(C)C)[C@@H]1CCCCN1C(=O)c1cccc(CCl)c1	1337298265	DTCWLBNZDKSSKX-PBHICJAKSA-N	322.880	3.618	50	20	DHGD	
C[C@H](c1cccc(C#N)c1)N(C)C[C@H](CBr)C1CC1	1351402604	CLAUQBVZJYNFCK-WBMJQRKESA-N	321.262	3.972	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c1C	1082202	MHCSVSQQOQLIDN-SFQUDFHCSA-N	319.408	3.915	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc(OC)c1	7350310	SDKCXCQEDNIEJN-VGOFMYFVSA-N	311.312	3.633	50	20	DHGD	
C[C@H]1CN(C(=O)CCCC[C@H]2CCSS2)CC(C)(C)O1	65609025	STDFXMMYUPDFIR-STQMWFEESA-N	317.520	3.726	50	20	DHGD	
O=C(Cc1cccc(F)c1F)NNc1cccc2c1CCCC2	120186083	BKERXHAFUKTEOQ-UHFFFAOYSA-N	316.351	3.529	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc1	132449796	MYALXDYOXHOSFP-BOPFTXTBSA-N	306.365	3.687	50	20	DHGD	
O=C(NNc1ccccn1)c1cc(Cl)cc(C(F)(F)F)c1	134172885	NKPPULAWHMGGCA-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2cccc(OC(C)C)c2)c1	150768964	VWHWXAXOSJLVEX-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
CC(C)COC[C@@H](NC[C@@H](C)CBr)c1ccco1	152822761	YOANZCVVSJBBTB-QWHCGFSZSA-N	318.255	3.614	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(c2ccccc2)CCCC1	156525341	WYEJYBIMOWTKOF-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1csc(CC(C)C)n1	160777538	XLQVEDXJMUMVGZ-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C)cc2)c(OC(C)C)c1	188131792	XFKMMWMZOHYXDQ-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1F	255625206	KVGUOUIHVLJEJG-LCYFTJDESA-N	307.328	3.785	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	281075231	TYOYGLZDLQPYFG-NGWPFTMJSA-N	322.412	3.557	50	20	DHGD	
CC(C)(C)c1cnc(/C=C(\C#N)C(=O)Nc2ccccc2)s1	491132109	MOMDPEMGBGJQRA-FMIVXFBMSA-N	311.410	3.986	50	20	DHGD	
BrCc1ccnc2ccc(Br)cc12	527417998	VCQVVZUSWAOMJQ-UHFFFAOYSA-N	300.981	3.892	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	727256423	ZPJJNMLVHMBEPB-UHFFFAOYSA-N	306.715	3.855	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@@H]1CCC[C@H](C)C1)c1ccccc1	731996884	GXLKVIUXBMYEAU-UXLLHSPISA-N	316.445	3.544	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@H]1Cc1ccccc1	735615924	SULSRSBFWZCZIV-INIZCTEOSA-N	322.408	3.824	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)c1cccc2ccccc12	741582426	XKIOEUPMUXDHSA-CQSZACIVSA-N	312.413	3.673	50	20	DHGD	
Cc1cncc(C(=O)NN(Cc2ccccc2)c2ccccc2)c1	742491531	XQGUSJZQNDVRSS-UHFFFAOYSA-N	317.392	3.742	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)nc1)[C@H](C)c1ccccc1	747592817	QKPRIYVFWQWOJZ-RYUDHWBXSA-N	318.808	3.553	50	20	DHGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2ccc(OC(F)F)cc2)C1(C)C	748650597	OPMJGNBMDDCXDE-ZIAGYGMSSA-N	324.371	3.970	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1csc(Br)c1	749446782	KLVGLGYORBHFDE-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ncccc3Cl)CCC2)c1	749536660	SHBDNVICISGFDJ-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NC[C@H]2CCCCS2)cc1	753256794	ZJWOJULWXCWWMK-OAHLLOKOSA-N	321.490	3.896	50	20	DHGD	
COc1ccc(-c2nc(/C=C(/C#N)c3ccncn3)cs2)cc1	758915668	MOAWUTUWJZHPRG-JYRVWZFOSA-N	320.377	3.673	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)c2ccc3sccc3c2)cc1	760284499	YRQGVNQJWKJFOP-UHFFFAOYSA-N	324.405	3.539	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)N[C@@H]1CCC(F)(F)C1	764376784	JOYHRSFCBIHRNA-MRVPVSSYSA-N	324.158	3.807	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(-n3cccn3)c2)cc1	764886888	QETUKEDQZYTRIL-PDGQHHTCSA-N	313.360	3.971	50	20	DHGD	
COc1cc(-c2ccccc2)sc1C(=O)N1CC=C(C#N)CC1	767155983	BDCFFANDLVXKGX-UHFFFAOYSA-N	324.405	3.720	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1sccc1Cl	782222164	SVSACTGCEGIALF-UHFFFAOYSA-N	306.818	3.875	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791733850	XOQYFIGRIPJNPT-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc2cc(F)ccc2o1	792634007	YBVGCAQASRYXHR-ZROIWOOFSA-N	307.346	3.651	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@@H]2CC[C@H](C)C2)cc1	794251584	APPAFXYTPVPUKZ-BFXBNRQGSA-N	312.413	3.545	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCC[C@H]2CCF)c1C	794880254	QNCPXDQNEWWXOV-CABCVRRESA-N	320.408	3.703	50	20	DHGD	
CC[C@@H]1C[C@H]1NC(=O)NN(Cc1ccccc1)c1ccccc1	798120261	DZNMBUUYWWZZRH-SJLPKXTDSA-N	309.413	3.706	50	20	DHGD	
Cc1ccc(-c2ccnn2C)cc1NC(=O)NNc1ccccc1	799238226	BBMSPQPLNOCTQY-UHFFFAOYSA-N	321.384	3.544	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)COCc2ccccc2)cc1	800689098	WKCAQCWHYSWKNG-UHFFFAOYSA-N	312.413	3.681	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1occ2c1CCC2	802828753	FZYRECZQGZSEOG-UHFFFAOYSA-N	310.275	3.544	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3cccc4c3CCCC4)cn2c1	807120324	BEKGHTCFQFUXIJ-UHFFFAOYSA-N	319.408	3.883	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cc3ccccc3o2)c1	812387623	PKPXXZPHIXEUSI-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2nccn12	812769648	RAJRBGXDLMDZLA-UHFFFAOYSA-N	308.385	3.523	50	20	DHGD	
COC1(C=NNC(=O)Nc2ccc(Cl)cc2)CCCCC1	815004522	HPXMZHJXLUIHRE-UHFFFAOYSA-N	309.797	3.797	50	20	DHGD	
CC[C@H](C)c1ccccc1OCC(=O)N(C)CC(Cl)Cl	816629365	JPULNXBITXWEFA-NSHDSACASA-N	318.244	3.841	50	20	DHGD	
N#CSCCCNC(=O)CSc1ccc2ccccc2c1	819699071	RYCFUFUXPWOBRF-UHFFFAOYSA-N	316.451	3.652	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCC[C@@H]2c2ccccc2)c1	827170480	TYDGAFLEWVEENY-QZTJIDSGSA-N	305.381	3.585	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1c(C)noc1C1CC1	836934399	WQQJPHBDYBWFQV-UHFFFAOYSA-N	305.765	3.579	50	20	DHGD	
COc1ccc(NNC(=O)C(C)(C)C(C)C)c(C(F)(F)F)c1	857265261	GSCBBLOZFSOJQU-UHFFFAOYSA-N	318.339	3.839	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NC[C@]1(C)C[C@H]1Br	857393111	IXGILNGZZPHPQU-CJNGLKHVSA-N	324.262	3.562	50	20	DHGD	
N#C/C(=C\c1csc(C(F)(F)F)c1)C(=O)[C@H]1CCCOC1	863189571	BSOKASYFCOHGJM-KRPLZJQNSA-N	315.316	3.670	50	20	DHGD	
CC(C)/C=C/c1cn([C@]2(Cl)C[C@H]2CCBr)nn1	881382271	LCVQSRAZOZQUTR-ISBNUJHVSA-N	318.646	3.644	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCC[C@@H](CF)C1	881594856	XEELLVATGWHQBG-QWHCGFSZSA-N	305.484	3.909	50	20	DHGD	
Cc1ccccc1-n1nc(C)c(/C=C(\C#N)C(=O)C(C)C)c1C	887280520	AITMZKVAHGFSRX-MHWRWJLKSA-N	307.397	3.930	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	901194947	RUOSQQDLXRZBTQ-LLVKDONJSA-N	314.813	3.871	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cc(Br)c[nH]1	915957044	LAJLRXJDGFLOPR-VIFPVBQESA-N	314.227	3.709	50	20	DHGD	
O=C(NN=Cc1ccc2c(c1)CCO2)c1ccc2ccccc2c1	917544839	IOJIYWOZDOJHJH-UHFFFAOYSA-N	316.360	3.539	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@H](C)c1c(C)n[nH]c1C	928340260	PKULHRPTHVAWTH-JTQLQIEISA-N	320.824	3.625	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCCCc3ccccc32)cc1	1115813199	UGTRUUFYWGMUKM-UHFFFAOYSA-N	308.381	3.556	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2ccc(C)c(F)c2)c(C)o1	1327700123	QMFXAXVWRCBHDB-NSHDSACASA-N	305.353	3.731	50	20	DHGD	
CC[C@@](C)(NC(=O)C1CCC(Cl)CC1)c1nccs1	1346487632	KELMRKZHWBOXAS-QIMFLAQGSA-N	300.855	3.682	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(F)cc1Cl	91984916	COIZHJVUCAHYNT-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1ccncc1Cl	122279174	WZMTUYJGNMUTCM-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)Nc1cccc(F)n1	129039044	NQRLKQAAYNHTCL-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1ccc(Cc2nc(C(=O)NNc3ccccc3)cs2)cc1	133273810	NKFQMAJTMAJTNQ-UHFFFAOYSA-N	323.421	3.799	50	20	DHGD	
Cc1cccnc1NC(=O)NNc1ccc(C(F)(F)F)cc1	179036626	RCAGBEUHJMXUDO-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2nc3ccccc3n2C)c(C(C)(C)C)n1	180255563	MUJWFFKMBFEMSL-JLHYYAGUSA-N	319.412	3.668	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cnn(C(C)C)c1)c1ccccc1	188578092	DOYYVVBOWVFQPV-LTXFRBGYSA-N	322.412	3.638	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(SC)cc2)c1	208025917	DBDLSIGTBCXRJF-UVTDQMKNSA-N	324.405	3.963	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCc2ccncc21	273515185	UZRMGWZBUHSUBS-ZDUSSCGKSA-N	308.472	3.685	50	20	DHGD	
CN(NC(=O)CCCC[C@@H]1CCSS1)c1ccccc1	726544286	VBEPJYULIGBARD-CQSZACIVSA-N	310.488	3.868	50	20	DHGD	
C#Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)nc1	728799240	SCQQZHUDIUFUFM-UHFFFAOYSA-N	313.360	3.546	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)Cc1c[nH]c2ccccc12	729637416	ZUDUIZHUPHTHSW-UHFFFAOYSA-N	311.410	3.507	50	20	DHGD	
C/C(C=NNC(=O)CCc1ccccc1O)=C/c1ccccc1	729938090	OQWUMXMECCRKDT-PHQNPPNDSA-N	308.381	3.530	50	20	DHGD	
Cc1cccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)c1C	731150986	KNRAMRNWJONYDO-QGZVFWFLSA-N	324.424	3.838	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1ccc(Cl)nc1	743815553	CFISOAUTDSJOGQ-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cccc(Cl)c1Cl	743816126	KLEYSCMMMZPVIF-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1ccccc1	746742872	OSUIOCJMFIVDLB-JTQLQIEISA-N	307.756	3.866	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1)c1ccc(O)c(Cl)c1	747750292	OXRRICMWFVJTOA-IEUXWHQSSA-N	318.735	3.614	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C(F)(F)c1ccc(F)cc1	748551946	PTSMNMYXBSXGFS-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C=C1CCCC1	748754151	JUYXWRHMMKIZKA-UHFFFAOYSA-N	309.207	3.701	50	20	DHGD	
O=C(NN=Cc1cnc(-c2cccs2)s1)c1ccccc1	751516633	LLQKQHSIDIMDDN-UHFFFAOYSA-N	313.407	3.636	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@H]1CC=CCC1	753172005	AVGSSMPPIGNKIW-LBPRGKRZSA-N	323.234	3.811	50	20	DHGD	
CC(CC1CC1)=NNC(=O)c1cc(C)n(-c2ccccc2)c1C	756820397	NTZITXDRUDPCGE-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)c1nc(C)c(C)s1)OCO2	758933045	ZNZKRYLRAYZFMT-QCDXTXTGSA-N	314.366	3.561	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)NCc1ccccc1	759642704	IPMQAIKLDPVTMG-ZROIWOOFSA-N	314.747	3.702	50	20	DHGD	
CCCC[C@H](CC)CC=NNC(=O)C(=O)Nc1ccc(C)cc1	760247170	CTNPMIXPAOPDKH-HNNXBMFYSA-N	317.433	3.642	50	20	DHGD	
CCC1(NC(=O)CCCC[C@H]2CCSS2)CCOCC1	762394753	UHRYARZZAQWNOR-ZDUSSCGKSA-N	317.520	3.776	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2c(F)cccc2Cl)cc1C	770202258	OXYCQBRMVNKIGU-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
CC12CC3(C)CC(C)(C1)CC(C(=O)NNc1ccccn1)(C2)C3	773623762	LRVCIOKNCYJMQD-UHFFFAOYSA-N	313.445	3.911	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C(C)(C)C)cc2)sn1	780583800	HCOKNRYUDJMBKG-UHFFFAOYSA-N	304.419	3.898	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(Cc2ccccc2F)CC1	785612219	KDBIPYWAMRMJSL-UHFFFAOYSA-N	320.314	3.570	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1ccc(Cl)c(F)c1	785612231	LLHPMCYEFPOGPQ-UHFFFAOYSA-N	306.768	3.727	50	20	DHGD	
CSSCCNC(=O)C[C@@H](C)c1ccc(F)cc1F	791099480	FBUBSHCUAXYBIF-SECBINFHSA-N	305.415	3.586	50	20	DHGD	
C/C(=C\C(=O)NNc1ncccc1C)c1cccc(Cl)c1	791215129	PALVZVVTOWVNCU-FMIVXFBMSA-N	301.777	3.590	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)[C@H](F)CC1CCCCC1	793707494	XVNZDZKTYUOYBB-LLVKDONJSA-N	318.314	3.856	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](C)Cc1ccc(C)cc1	795584554	VPWPYFHOFAZLSZ-ZDUSSCGKSA-N	311.219	3.668	50	20	DHGD	
Cn1nnc2cc(/C=C(/C#N)c3ncc(C(C)(C)C)s3)ccc21	797406886	XIKLYHOGKSVJFP-GHXNOFRVSA-N	323.425	3.786	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(Oc3ccccc3)cn2)cc1	799832923	PLMMTJZYDVXNHD-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NNc1ncccc1F	804218076	OBPGJRXCSFLZLN-QWHCGFSZSA-N	313.376	3.653	50	20	DHGD	
Cc1ccc2c(CC(=O)N(C)CC(Cl)Cl)coc2c1C	808248000	ZOFNXDINSKDACQ-UHFFFAOYSA-N	314.212	3.854	50	20	DHGD	
CNc1ccc(Cl)c(C(=O)OC[C@@H](C)CBr)c1	808612159	ZSGBXOXPWSOQJO-QMMMGPOBSA-N	320.614	3.570	50	20	DHGD	
Cc1c(C(=O)/C=C/c2ccc(OCCCCl)cc2)cnn1C	811694030	PBJGXOANHAHOSF-RMKNXTFCSA-N	318.804	3.632	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ncoc1C1CC1	815817712	GFSGMAHSCPJNFU-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ncccc1Cl	815850502	PFHURGWCGPIRKV-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1C[C@@H]1c1cccc2ccccc12	816605097	LAKJKAWEXSFRMX-KGLIPLIRSA-N	308.208	3.863	50	20	DHGD	
O=C(CCCC(F)(F)F)NNc1cc(Cl)nc(Cl)c1	819747909	ZIWYBBBGCWAZAD-UHFFFAOYSA-N	316.110	3.564	50	20	DHGD	
O=C(CC[C@H]1CC1(Cl)Cl)NNc1cccc2cnccc12	830813462	JZKWDAPMRUJDRB-NSHDSACASA-N	324.211	3.652	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cccnc1C1CC1	836932965	FGOAPAFLJWMXKB-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ccc(C(C)C)cc1)CC2	837059666	XGAISZDAYFTQOJ-SFHVURJKSA-N	324.424	3.992	50	20	DHGD	
CC1(C)C[C@]1(C(=O)NNc1ccnc(Cl)c1)c1ccccc1	855462171	PSPPUFCLNLSJRE-QGZVFWFLSA-N	315.804	3.546	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1cccc(F)c1Cl	860929356	GSONWPCBKGJFQL-UHFFFAOYSA-N	324.743	3.802	50	20	DHGD	
COC1CCC(CC(=O)NNc2cccc(F)c2Cl)CC1	862506686	GYEJYLQIJSOPCV-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
CCC1(C(=O)NNc2ccc(OCc3ccccc3)cc2)CC1	862519015	OXPFONFRLHBBHU-UHFFFAOYSA-N	310.397	3.899	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1cc(Cl)ccc1F	871271809	ZMRBCPQMGDGSLE-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)C(C)C)cc1OCCC	916327694	QGXRRKXUFPAQIN-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OC/C=C/c2ccccc2)c1	916601768	RIYBLMQYDSNPOR-SBBKFGQPSA-N	319.360	3.859	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cc(Cl)ccc1Cl	917551194	RKJVGGVXKYUANZ-UHFFFAOYSA-N	313.106	3.786	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1cccc(Br)c1	1116348657	KEPAPSUMVMSZGR-UHFFFAOYSA-N	323.234	3.719	50	20	DHGD	
O=C(NNC(=O)c1ccccc1Cl)/C(F)=C\C1CCCCC1	1116907631	QOCYNFKSRDIWLP-GXDHUFHOSA-N	324.783	3.535	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc2c(c1)CCC2	1319144230	ABYDLSACXHMRND-YUIXEQDVSA-N	308.425	3.777	50	20	DHGD	
N#C/C(=C\c1c(F)cc(C(=O)O)cc1F)C(=O)c1ccsc1	1777565689	KZFWXKARJXEALI-XCVCLJGOSA-N	319.288	3.514	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OCCCC)c(OC)c1	57548111	OSBSJLBWKVCJSM-PTNGSMBKSA-N	315.369	3.510	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(OC)ccc2OC)c1	67189815	FYZTUQNSUGZJFZ-DHDCSXOGSA-N	323.348	3.502	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2)cc1OC	82067563	MHIFDFDLDYYMEJ-WJDWOHSUSA-N	307.349	3.884	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Cl)cc3cccnc23)cc1	97206982	LIXDSWDLFAEDMV-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc2c(c1)CCCC2	103275802	ZSXUXDGAIJFMHX-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
COc1ccc2oc(/C=C(\C#N)C(=O)Nc3ccccc3)cc2c1	179127603	IELHQSSEEXKLDS-SDNWHVSQSA-N	318.332	3.987	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)o2)cc1Cl	211592551	QSHCJRYIURBUDP-XFFZJAGNSA-N	316.744	3.796	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1Cl	213024937	BUXJDVMIEXWGDS-WDZFZDKYSA-N	316.700	3.940	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	274596524	LLQUVPZVBFLATI-GHMZBOCLSA-N	318.314	3.946	50	20	DHGD	
CSSCCNC(=O)Nc1nc(C2CCC2)cs1	286858973	WBQUFQHMJFXTSP-UHFFFAOYSA-N	303.478	3.543	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1	728717455	XDHMBEWZEIUOPO-UHFFFAOYSA-N	324.302	3.648	50	20	DHGD	
Cc1cc(OC(=O)c2cc3occc3s2)ccc1[N+](=O)[O-]	735994398	PRFRIHAWAMTXQA-UHFFFAOYSA-N	303.295	3.930	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](CC(C)C)c2ccccc2)cc1	746887925	YNLYIHFBQHZHLZ-GOSISDBHSA-N	312.413	3.968	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2ccccc2Cl)c1	748365565	ZYCUVMBYXDTNOC-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
Cc1ccc(C#N)cc1NC(=O)[C@H](Br)C(C)(C)C	767919083	CHDASPYMLDGXDY-LBPRGKRZSA-N	309.207	3.615	50	20	DHGD	
CC(C)n1ncc2ccc(NC(=O)NNc3ccccc3)cc21	769985513	JCODMXCQTOMMMY-UHFFFAOYSA-N	309.373	3.766	50	20	DHGD	
Cc1nc(CC(C)C)c(NC(=O)NNc2ccccc2)s1	770068432	YCRHWLABXWXFFC-UHFFFAOYSA-N	304.419	3.799	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@@H](C)c1ccccc1F	770358173	DHFFLBFHWGAMRL-GHMZBOCLSA-N	317.198	3.894	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(C#N)c(F)c1	776768227	GZWXWUARMIBWCD-UHFFFAOYSA-N	323.371	3.515	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cnc2ccsc2c1	777468362	YDCIPHNZEYFZKO-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)c1nc2ccccc2[nH]1	777869955	QWHYLGVXJICZLU-XFFZJAGNSA-N	308.272	3.674	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2ccc(F)c(F)c2F)cc1	778932032	KQFKYKJWVZPWFY-LLVKDONJSA-N	322.330	3.734	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1	780687299	PROZASAQWCAYCX-UHFFFAOYSA-N	322.339	3.914	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)[C@H](C)C1	783790497	HJQZXNTVYJDVPH-CHWSQXEVSA-N	310.401	3.619	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccc(C2CCC2)cc1	786232131	YSKDZGCATHISDL-UHFFFAOYSA-N	323.396	3.729	50	20	DHGD	
Cc1c(Br)cccc1COC(=O)/C(C#N)=C\C1CC1	786678200	PIRIJWGTOBZZCH-QPEQYQDCSA-N	320.186	3.661	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(C(=O)O)c1Cl	787169133	MLNLCTFYHBTZIK-XFFZJAGNSA-N	315.712	3.730	50	20	DHGD	
CCO[C@H]1CCCN(Cc2ccc(OCCCCl)cc2)C1	788840131	GOWIYIHVXXFJAA-KRWDZBQOSA-N	311.853	3.695	50	20	DHGD	
CSSCCNC(=O)c1ccccc1Oc1cccnc1	791152791	PNSANGOPYFGLMO-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	793711306	ZDZHTZWEUTYMHS-CQSZACIVSA-N	313.785	3.908	50	20	DHGD	
N#Cc1ccc(Cl)c(C(=O)NNc2cccc(Cl)c2)c1	795020200	AGTKRFQWQCKQHC-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
N#CC[C@@H](CC(=O)NNc1ccc(Cl)cc1)c1ccccc1	795192825	NWCFHXYGOCBBQV-AWEZNQCLSA-N	313.788	3.871	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@H]1CCC(F)(F)C1	795193149	GGXIXEHIFBZBRI-QMMMGPOBSA-N	308.250	3.584	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2)cc(Cl)c1OC	798229906	IQVNTSWWFNIZBE-XGICHPGQSA-N	317.728	3.740	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCC12CCOCC2)c1ccccc1	799879490	DLVHGYKYMMEXQF-MRXNPFEDSA-N	314.429	3.633	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)[C@H](C)Oc1cccc(C)c1C	814748066	HFWPWPLOWPVAOC-AWEZNQCLSA-N	322.474	3.704	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(C#N)cc1)c1ccc(OC)cc1	814823711	SHBPFXLSJBFZIO-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	828828060	DXOPPALAZRXMPB-WPRPVWTQSA-N	302.205	3.658	50	20	DHGD	
Cc1cccnc1NNC(=O)C(C)(C)Cc1ccc(Cl)cc1	837574792	PPCYNIKFDKVKGL-UHFFFAOYSA-N	317.820	3.755	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CC[C@H](C)C1	840547912	WYAXABXQKISIRU-WDEREUQCSA-N	310.829	3.523	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	843880893	VJRBVDVSMYJJEX-GFCCVEGCSA-N	321.808	3.629	50	20	DHGD	
O=C(C[C@H]1CCCCO1)NNc1ccccc1Cc1ccccc1	846464955	WFZFMQQQHBVYCZ-GOSISDBHSA-N	324.424	3.680	50	20	DHGD	
CCOC1CCC(=NNC(=O)c2cccc3ccccc23)CC1	853311614	WWJHHUWILKNSSU-UHFFFAOYSA-N	310.397	3.905	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](c2ccccn2)C2CC2)c(C)c1	925531820	APTLGXUBQIAZHM-SFHVURJKSA-N	324.428	3.784	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1ncsc1C(C)C	928337899	WYVNJKOSVKRCNL-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCn2cccc2C1	928966592	GFWLLQJRTBHZOJ-AWEZNQCLSA-N	310.488	3.544	50	20	DHGD	
CCCN(C[C@H](C)CBr)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C	1116630775	OXLCVPRDPBKNEW-SYQHCUMBSA-N	318.299	3.543	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccc(C(=O)O)cc2)o1)C(=O)C1CCC1	1338652944	GMEQOWDXOMBGBU-GDNBJRDFSA-N	321.332	3.921	50	20	DHGD	
CCc1ccc([C@H](COC)NC(=O)c2cccc(CCl)c2)o1	1353596534	KWNMWUQCLYCTGG-HNNXBMFYSA-N	321.804	3.698	50	20	DHGD	
Cc1ccsc1C(=O)NNc1ccccc1C(F)(F)F	45480937	WFEXQXMGFNFJAO-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])c(O)c2)c1C	67735258	NDNMMYFMWMJFNM-ZSOIEALJSA-N	322.320	3.707	50	20	DHGD	
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)NNc1ccccc1	98071077	RDMWPBDNIZPVCT-AWEZNQCLSA-N	312.413	3.895	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)C(CC)CC	101799925	NVUVZWGRWVVHOI-ZROIWOOFSA-N	316.357	3.906	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@@H](C)c1ccccc1)c1ccccc1	110344973	LUIVXYMZJDIOHG-QAPCUYQASA-N	324.424	3.521	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1OC	125500848	QGPWAZHCMXAUMJ-UGMNDJHYSA-N	317.385	3.625	50	20	DHGD	
C[C@H]1C/C(=C/c2cnn(CCCl)c2)C(=O)c2ccccc21	131134206	HWHXNXIXCYISBL-CJAAZZPWSA-N	300.789	3.895	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2c(C)[nH]c3ccccc23)c1	150855492	KJAXEQQNCVEQSA-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc1C#N	154282167	DHBRSEVRVOIGAQ-YVLHZVERSA-N	302.333	3.665	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@@H](C)c2ccccc2C)c1	156226780	NFCAVBNFPHWOGH-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
CC(C)(C)O[C@@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	161095547	IPEKARMEFRFGRI-QGZVFWFLSA-N	323.396	3.558	50	20	DHGD	
C[C@@H](C(=O)NNc1ncccc1Cl)c1ccc(Cl)s1	176160008	LFIBMIKQCZGKNA-SSDOTTSWSA-N	316.213	3.697	50	20	DHGD	
CC(C)(C)O[C@H](C(=O)NNc1ccc(F)cc1)c1ccccc1	179122980	MERKRGHVHBLQIR-INIZCTEOSA-N	316.376	3.825	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)Nc1ccncc1	179513041	PDXQFJNURGDLMF-DHZHZOJOSA-N	318.163	3.934	50	20	DHGD	
CC(C)=CCSc1ccccc1C(=O)NNc1ccccn1	181227197	OWROGTQDANIEBB-UHFFFAOYSA-N	313.426	3.897	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	253386286	WFCVHJXDIUPVMO-ZDUSSCGKSA-N	315.325	3.585	50	20	DHGD	
C=C(CBr)CN(C)Cc1nc2ccccc2s1	279486719	OVHVBVYPDHBNHG-UHFFFAOYSA-N	311.248	3.679	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C/C1CCOCC1	493218486	KSCGBATXYMOMCY-BQYQJAHWSA-N	302.418	3.544	50	20	DHGD	
FC(F)(F)c1cccc([C@@H]2CO[C@@H](CBr)C2)c1	536957991	SUHXXDHXFTXXMC-GXSJLCMTSA-N	309.125	3.973	50	20	DHGD	
O=C(CCc1ccccc1O)NN=C1CC[C@H]2CCCC[C@@H]2C1	729935033	IUTCVPAFLVSQJM-GDBMZVCRSA-N	314.429	3.787	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)c1	734980126	FUYPDRSGGHJDFK-QAZQYGAVSA-N	300.377	3.736	50	20	DHGD	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](NC(=O)NNc1ccc(Cl)nc1)C2	745536830	GWIBNBSZTLGLEV-PKWAYOAASA-N	322.840	3.576	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1coc2ccccc12	747746676	LAIGNZYMPWILOI-UHFFFAOYSA-N	321.380	3.653	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@H](C)C(C)C)cc1	750297955	ZFDWDRUKDOEJFE-CYBMUJFWSA-N	321.490	3.639	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(C2CCCC2)[nH]n1	752411652	QMCYXMZAVOYSLC-NTEUORMPSA-N	324.359	3.752	50	20	DHGD	
N#Cc1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752813473	XNBBVRPBKYLBHM-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761590586	CFOAMDGKGDAFRY-GHMZBOCLSA-N	316.323	3.855	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cc2cccnc12)C1CCCC1	763166034	JSZHPUJYGCAANH-UHFFFAOYSA-N	301.777	3.529	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ncnc4ccsc34)oc12	766675901	CGALNGVDFVGIJA-UHFFFAOYSA-N	324.365	3.503	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2CCC[C@@H](C)C2)cc1	768359157	AKUIHHAFRIVGAP-ZBFHGGJFSA-N	302.418	3.556	50	20	DHGD	
C[C@H](CBr)CN(C)[C@H](C)c1cc(F)ccc1F	770648275	RAJXANWNIYYPEU-NXEZZACHSA-N	306.194	3.989	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1cnccc1C	771563613	MSWXHJYTEBJDND-UHFFFAOYSA-N	322.195	3.851	50	20	DHGD	
Cc1ccnc(NNC(=O)c2nc(C)sc2-c2ccccc2)c1	779226097	IKPQOTCFLNFWRW-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCCn1cc(NCc2ccc(OCCCCl)cc2)cn1	788845759	DIBLKQJZWDWHDA-UHFFFAOYSA-N	307.825	3.913	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H]1C[C@@H]1c1cccc2ccccc12	791215381	RYVAVMKSHIGQAO-MSOLQXFVSA-N	317.392	3.790	50	20	DHGD	
CC(C)O[C@@H](C=NNC(=O)NC1CCCCC1)c1ccccc1	792907252	UTLVXRWLGVWLJR-KRWDZBQOSA-N	317.433	3.770	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])[C@@H]1CCC[C@@H]2CCCC[C@H]21	794742783	UHNQTAYCSOSIHQ-BFHYXJOUSA-N	317.389	3.644	50	20	DHGD	
CCc1cc(NC(=O)NNc2c(F)cccc2F)ccc1F	806557113	MMQCTFGDIMBWMH-UHFFFAOYSA-N	309.291	3.815	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1CCCSC1	813166947	PCYGAQOJHRKLOC-AWEZNQCLSA-N	321.490	3.888	50	20	DHGD	
CCc1ccc([C@H]2CCN(C(=O)NCCSSC)C2)cc1	814330030	IXXWZLUHBSUBAX-HNNXBMFYSA-N	324.515	3.759	50	20	DHGD	
O=C(NN=Cc1cccc(O)c1Cl)c1ccc2ccccc2c1	814810788	WBPXMHGHHPMLGU-UHFFFAOYSA-N	324.767	3.963	50	20	DHGD	
O=C(Cc1ccncc1)NN=C1CCCC[C@@H]1C1=CCCCC1	814864117	PMPIRDJVFRRCSW-QGZVFWFLSA-N	311.429	3.787	50	20	DHGD	
O=C(NNc1cccc(F)c1F)C1CC(c2ccc(F)cc2)C1	815856782	ANCPKVHQIYQOQG-UHFFFAOYSA-N	320.314	3.741	50	20	DHGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1	816472778	RISPOGCKKRLWEC-RNCFNFMXSA-N	317.216	3.642	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccn1	832968073	HIQJRNZWURXFRE-SECBINFHSA-N	303.328	3.616	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc(O)nc(C3CC3)c2)cc1	837059625	WWLCBDGAPYOPPR-UHFFFAOYSA-N	311.385	3.545	50	20	DHGD	
CN(CCCSCC#N)CCO[Si](C)(C)C(C)(C)C	844344061	PTFXYEPDXDJUJU-UHFFFAOYSA-N	302.560	3.587	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2nc3ccccc3n2C)cc1	848378448	RJGSAVJPTJXOKQ-UHFFFAOYSA-N	322.412	3.529	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(F)ccc2C)c(C(C)C)n1	855370342	VVCDUOMWDQQMRA-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
C[C@@]1(CNC2CCC(C(F)(F)F)CC2)C[C@H]1Br	857066079	WWZIRLDCPQRWGC-LXKPXOPUSA-N	314.189	3.871	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccsc1C(F)(F)F	863189045	WXRXRKOHXASARF-JXMROGBWSA-N	323.361	3.846	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc(C(C)(C)C)oc1C	898699764	HLGHEJOJWNXUAO-UHFFFAOYSA-N	320.364	3.790	50	20	DHGD	
C[C@]1(C(=O)N2CCC(c3ccccc3)CC2)C[C@H]1Br	905778839	TZRPUEQKCNXKRU-ZBFHGGJFSA-N	322.246	3.566	50	20	DHGD	
O=C(NN=C1CC[C@@H]2CCCC[C@H]2C1)c1ccc(Cl)nc1	915973207	HJMGESKXIQHSJT-RYUDHWBXSA-N	305.809	3.811	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2c1)c1ccc(Cl)nc1	915975454	HVXUGJSVWRMONV-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
C[C@@H]1C[C@H]1CNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	916640511	KZWHULHMULILCT-RQJHMYQMSA-N	322.623	3.929	50	20	DHGD	
CN(NC(=O)c1cc2c(F)cccc2s1)c1ccccc1	920862345	ZFZIWDOWFIRMAQ-UHFFFAOYSA-N	300.358	3.822	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1cccc(Cl)c1	1325276821	BIFWKMPDPZVVDH-UHFFFAOYSA-N	304.752	3.828	50	20	DHGD	
C[C@@H](NC(=O)c1ccccc1NC=C(C#N)C#N)c1ccccc1	15241206	ZARZSFHUGBILMB-CQSZACIVSA-N	316.364	3.521	50	20	DHGD	
O=C(CCc1ccc(Cl)cc1)NNc1ccc(F)cc1F	73070982	NVOFMCGWAFFTHR-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
CC(C)(C)OC(=O)n1cnc2ccc(CBr)cc21	89194965	AWAIUCGVPWPNKU-UHFFFAOYSA-N	311.179	3.714	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cc(F)c(F)c(F)c2)CC1	175474163	FRUGXBPGRVRQIM-UHFFFAOYSA-N	320.314	3.587	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)cn1	190259893	XVJGZRHFCVTLLF-WOJGMQOQSA-N	319.408	3.944	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(OCC(C)C)cc1	192097872	IIQAEQJHSIJUBB-BOPFTXTBSA-N	321.442	3.801	50	20	DHGD	
COc1ccc([C@@H](C)N(C)C[C@@H](C)CBr)cc1	248673690	CCSXREYYPALTTJ-NWDGAFQWSA-N	300.240	3.719	50	20	DHGD	
COc1cccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)c1	254308011	HWIWNDOYDDSPGK-UHFFFAOYSA-N	310.397	3.757	50	20	DHGD	
N#C/C(=C\c1ccccc1C#N)C(=O)Nc1ccc(Cl)cc1	255379742	DQPAHAAGMYEZOZ-NTEUORMPSA-N	307.740	3.757	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@@H]1CCCC[C@@H]1C(F)(F)F	269600231	KAHJPIFSQLRBTA-BDAKNGLRSA-N	322.277	3.777	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@H]2c2ccccc2C)cc1	294415568	RKNSNLRSNMDRJD-ZWKOTPCHSA-N	310.397	3.641	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NCC(Cl)Cl)s1	297050667	KENNEZHJYAOSDD-UHFFFAOYSA-N	303.214	3.585	50	20	DHGD	
CCCN(N=C(C)c1cc(N)ccc1F)C(=O)OC(C)(C)C	495651259	LUDYHLZDMCMFIZ-UHFFFAOYSA-N	309.385	3.779	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	727674489	YAXXOSHKUDCLLK-JTQLQIEISA-N	313.785	3.764	50	20	DHGD	
CC(C)CC[C@H]1CCC[C@H]1NC(=O)NNc1cccc(C#N)c1	727945894	VXODDCOQCPNXNS-NVXWUHKLSA-N	314.433	3.789	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](C)c1csc2ccccc12	729964492	BJLGHPZWXPIMIE-UTEVDWOZSA-N	300.383	3.522	50	20	DHGD	
Cc1cccc(C=NNC(=O)c2cc(-c3ccccc3)on2)c1C	731152124	WYZVTQMZSWFMST-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1CCC[C@H](C2CC2)C1	737432066	TZLLRJMBDZSGCG-INIZCTEOSA-N	309.413	3.714	50	20	DHGD	
CC(C)(C)CCCNC(=O)NNc1cc(F)c(F)c(F)c1	746768263	BLBVCAGZXPAQKZ-UHFFFAOYSA-N	303.328	3.556	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C2CC(OCc3ccccc3)C2)c1	748421254	ZYCQNVVEGNNIDJ-UHFFFAOYSA-N	324.424	3.742	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1oc(C(C)C)nc1C#N	751726418	PEQOSKUNBZYPQO-GFCCVEGCSA-N	306.410	3.719	50	20	DHGD	
CN(CCOCC1CC1)C(=O)CCCC[C@@H]1CCSS1	755600448	QEDDHBKYEAINQW-CQSZACIVSA-N	317.520	3.586	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ccc(F)cc2)cc1	764716814	LOHYLRBRTRLYGM-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	765996243	UXCKOXDEWQTOIN-SOUVJXGZSA-N	324.428	3.679	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ncoc1-c1ccccc1	771713529	IOXDFNSFNMSZAF-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1	777911402	JEXUULLBRYKAPW-GHXNOFRVSA-N	313.244	3.706	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2c(C)cc(C)cc2C)CCO1	782016629	HPABXNKMUYWBFD-JKSUJKDBSA-N	304.434	3.650	50	20	DHGD	
CC(C)(C)c1cnc(COC(=O)/C(C#N)=C/c2ccccc2)o1	785377646	GQFDNCPLFADEDX-NTEUORMPSA-N	310.353	3.622	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(Cl)c(OC)c2)s1	790178730	ABPLGEKACWPNHB-UHFFFAOYSA-N	310.806	3.729	50	20	DHGD	
Cc1cccnc1NNC(=O)CSc1ccc(C(C)C)cc1	791216677	BYSULPMPQLXDID-UHFFFAOYSA-N	315.442	3.749	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc2c(c1)CCO2	799385471	UGLPXXOZCBJXNJ-UHFFFAOYSA-N	311.385	3.641	50	20	DHGD	
COc1cc(NNC(=O)c2nc(C(C)C)oc2C)ccc1Cl	803262199	WFVJRLQOTMRFNN-UHFFFAOYSA-N	323.780	3.525	50	20	DHGD	
N#C/C(=C/c1cnn2ccccc12)c1cc(C(F)(F)F)ccn1	812248272	IMNFUCIRKJMRED-XFFZJAGNSA-N	314.270	3.812	50	20	DHGD	
N#C/C(=C\c1cccc2c1OCO2)c1cc(C(F)(F)F)ccn1	812248841	RROMVTPLDHIWNS-IZZDOVSWSA-N	318.254	3.893	50	20	DHGD	
O=C(NN=C1CC[C@H](Cc2ccccc2)C1)c1ccccc1O	814695359	YMWHWDCGFGUCLA-OAHLLOKOSA-N	308.381	3.521	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)CSc2ccccc2O)C1	814969087	JCKUUTSBQVNUDA-ZDUSSCGKSA-N	320.458	3.803	50	20	DHGD	
C=CCC1(C(=O)NNc2cnc3ccccc3n2)CCCCC1	829345163	HLVLAUMEMINWSJ-UHFFFAOYSA-N	310.401	3.600	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(O)c1Cl	834400981	OIMWJEULATVOCN-QKBIWAADSA-N	318.804	3.647	50	20	DHGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)CCCC[C@H]1CCSS1	839852731	YJEGTRCUQGOIAF-RQJABVFESA-N	317.520	3.630	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H]1CCC(C)=C(C)C1	842704946	FYIGCASLTRFVCI-LBPRGKRZSA-N	305.330	3.645	50	20	DHGD	
O=C1/C(=C\c2ccc(OCCCCl)cc2)CCn2nccc21	853010415	ZWIIKIRUWPZXHE-OWBHPGMISA-N	316.788	3.561	50	20	DHGD	
N#CC1(CC(=O)NNc2cc(F)cc(Cl)c2)CCCCC1	855622102	WMQFOAMAOQZAPX-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
CCCC(=NNC(=O)COc1ccccc1F)c1ccccc1	916300663	RAWNKNPUTVALOU-UHFFFAOYSA-N	314.360	3.525	50	20	DHGD	
O=C1CCCC[C@@H]1[C@H]1CCCN1C(=O)c1cccc(CCl)c1	1120620649	CCSAQECHTKQPQL-HZPDHXFCSA-N	319.832	3.789	50	20	DHGD	
CCOC(=O)Nc1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1123499720	USWLJVQKDREICV-UHFFFAOYSA-N	324.808	3.991	50	20	DHGD	
CC(C)(C)[C@H](Br)c1nnc(CC(F)(F)F)o1	1261431526	FHWVBHMGONTLED-ZCFIWIBFSA-N	301.106	3.657	50	20	DHGD	
CC1(C)CCCCC1=NNC(=O)c1cncn1-c1ccccc1	1332223219	JIWVVYFRRZDLPE-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
CCC(=O)Nc1ccc(C2(NC(=O)[C@@H](Cl)CC)CCC2)cc1	1787669524	YXGGTINJFQTGSG-AWEZNQCLSA-N	322.836	3.548	50	20	DHGD	
Fc1ccc([C@@H](CBr)OCC(F)(F)F)cc1	50481869	CVSPSWLFGHXRKR-SECBINFHSA-N	301.077	3.841	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ncccc1C(F)(F)F	92526406	GAOPQRMMHAHUHI-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CC1(CC(=O)NNC(=O)CCCc2ccccc2)CCCCC1	130685647	MEKIXUABAKYYPP-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
COc1ccc(CCC(=O)NNc2ccc(Cl)cc2)cc1F	136091922	FEZMBOCKOHNJGD-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(-c2cccs2)n[nH]1	158168679	WKKCGQOXPNBEFO-UHFFFAOYSA-N	318.789	3.549	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	171419490	RYVBPIATQTVUFS-OQLLNIDSSA-N	304.378	3.973	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(OCCOC)c1	172692251	SOXKVZRBSCHAKE-DSQDWWTGSA-N	301.386	3.624	50	20	DHGD	
CC(C)(C)c1ccc(SCC(=O)NNc2ccncc2)cc1	180441063	MMTVNTHQEBQZGC-UHFFFAOYSA-N	315.442	3.615	50	20	DHGD	
Cc1c(C#N)cccc1NC(=O)NNc1ccc2ccccc2n1	187617995	PBKRCRGJHUWUDK-UHFFFAOYSA-N	317.352	3.564	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccccc2)s1	191765852	UDSZTJRVNSVSMO-GXDHUFHOSA-N	303.408	3.714	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	247620093	SZCXBZFOPAVYCH-QXTAMJNMSA-N	311.516	3.861	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cccc(NC(C)=O)c1	294070140	ZSHUETSVGIZCQY-UHFFFAOYSA-N	305.422	3.695	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1ccc(C(F)F)cc1	726509187	LQSPQNQHAPQUSR-UHFFFAOYSA-N	323.251	3.760	50	20	DHGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)CC2CCCC2)CC(C)(C)C1	727488859	ZRWYLMGQKLBIMA-UKRRQHHQSA-N	308.466	3.567	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2F)sc1C	728717420	VYJYUOGZVLRAHP-UHFFFAOYSA-N	300.305	3.539	50	20	DHGD	
CC(F)(F)CCC(=O)NNc1ccnc2cc(Cl)ccc12	729514521	HKIQHQFHZZHYSX-UHFFFAOYSA-N	313.735	3.767	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)NNc2ccc(F)cc2)c1	730675396	ZFISGEGVCHKJMZ-ZDUSSCGKSA-N	301.365	3.830	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cccc(F)c1F	730728426	VULAKXWSHPXGBI-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1ccc(Cl)s1	731321317	WCFJSZYFWHNAOJ-UHFFFAOYSA-N	310.781	3.624	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cc(O)cs1	731869346	FMWYFMSXMCQVRN-UHFFFAOYSA-N	324.405	3.805	50	20	DHGD	
CC[C@H](NNC(=O)c1cc2c(s1)CCC2)c1ccccc1	732917911	SENVYSIOHCPJGF-AWEZNQCLSA-N	300.427	3.623	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccc(O)c(Cl)c2)o1	734093885	XKFUYQQGXDQIEE-JOYOIKCWSA-N	318.760	3.526	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccccc2F)C12CCCCC2	741453482	QMIFELCNVCFRTF-INIZCTEOSA-N	318.392	3.671	50	20	DHGD	
CC(C)[C@@H]1CCCC1=NNC(=O)[C@H](C)Oc1ccccc1F	747742607	WWEPPYGDNKBJEK-STQMWFEESA-N	306.381	3.521	50	20	DHGD	
N#C/C(=C\c1cc(C#N)cs1)c1nc(-c2ccccc2)no1	748441315	XJLGSHVSXNUMHM-NTUHNPAUSA-N	304.334	3.734	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1cc(F)c(F)c(F)c1	750245985	GPUDKURLHZXYOJ-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC(C(C)C)C2)c1C	753748150	OIWVGYNUEBVHQR-RQZCQDPDSA-N	313.445	3.536	50	20	DHGD	
Cc1ccc(C(=O)NN(C)c2ccccc2)c(Br)c1	755227737	SCRSCRKOMRXAJG-UHFFFAOYSA-N	319.202	3.539	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccccc2C#N)c1C	755572281	MQJQXAPGHKALEV-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)[C@@H]1CCCC(C)(C)C1)c1ccccc1	755885050	ULFVCPNIAFNRPC-HZPDHXFCSA-N	316.445	3.544	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(-c2ccccc2)ccc1OC	756789574	YPAYJRLUFXDEAY-QGOAFFKASA-N	319.360	3.998	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cnc(C)s1	761249615	BSKLWGFANNZTND-UHFFFAOYSA-N	317.458	3.508	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ncccc1C(F)(F)F	765498943	AQIHPGLRVISNSQ-YFHOEESVSA-N	306.243	3.792	50	20	DHGD	
Cc1cccc2c1CC[C@@H]2NC(=O)[C@H](Br)C(C)(C)C	767968249	LOAWIJWPTFZDSR-KBPBESRZSA-N	324.262	3.908	50	20	DHGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)c1cc(Cl)ccc1O	769777462	KMJDLTJVTJBLFR-CYBMUJFWSA-N	314.772	3.709	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCc1ccc([C@H]2C[C@H]2C)o1	771301970	MEZFXRFRRAVBAA-YPMHNXCESA-N	317.364	3.677	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1c(C)cccc1F	771697295	KMFYKDLWZZHOEA-MRXNPFEDSA-N	316.376	3.743	50	20	DHGD	
O=C(NNc1ccccn1)C1(c2c(Cl)cccc2Cl)CC1	777472682	XNJTXBMGIXLWIN-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2)[C@@]1(C)CCCO1	782168435	DXEIOBVLNLXUAR-PIGZYNQJSA-N	320.458	3.548	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@@H](C)C[C@@H]2C)o1	783838360	YWXVTXLSTUUYQH-KGLIPLIRSA-N	319.449	3.663	50	20	DHGD	
Cc1ccccc1C[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	785357026	BNZZHCJGWKCPAJ-BRYHAGSVSA-N	322.383	3.789	50	20	DHGD	
CC[C@@H](NC(=O)NCCSSC)c1ccc(F)cc1F	790894442	JXKBOCDNSWECLI-GFCCVEGCSA-N	320.430	3.726	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(Cl)n2)cc1	793234659	ARHPJVNAILIMBV-WUXMJOGZSA-N	318.785	3.755	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C[C@H](C)C(C)(C)C)cc1	800807848	IJHAZXVCEAGMIZ-UONOGXRCSA-N	320.433	3.637	50	20	DHGD	
O=C(NNc1ccccc1F)c1nc2ccccc2cc1Cl	810680250	JTDPKLYNDFNIAV-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(F)ccc2OC)c1	812241921	ORLFYCLJMWVVOM-RIYZIHGNSA-N	311.312	3.633	50	20	DHGD	
COC(=O)c1occc1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812248373	LBVARRCRWONRII-POHAHGRESA-N	322.242	3.544	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2cccc(Cl)n2)c(C)s1	814276548	ZZSTWVXNRPPOQI-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
CCCC(=NNC(=O)CCCc1ccccc1)c1ccccn1	814833747	QUGYBXUOZZOZNZ-UHFFFAOYSA-N	309.413	3.725	50	20	DHGD	
Cc1cc(Cl)cc(C=NNC(=O)Cc2ccccc2C)c1	814871719	GWHNBYKVXJIBDH-UHFFFAOYSA-N	300.789	3.650	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OCC(=O)NNc1ccc(F)cc1	825313824	FXWPPLRDCISGGC-KBRIMQKVSA-N	322.424	3.746	50	20	DHGD	
C[C@@H]1SCC[C@@H]1NC(=O)NNc1cc(Cl)ccc1Cl	828549171	KMZUXXAVMYKXNK-XVKPBYJWSA-N	320.245	3.514	50	20	DHGD	
Cc1csc(CCCC(=O)NNc2c(C)cccc2Cl)n1	836936334	JZOAEGBCUMYHHD-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
N#C[C@]1(C(=O)NNc2cccc(Cl)c2Cl)CC12CCCC2	838346589	VSZZRBPZMZCDFV-HNNXBMFYSA-N	324.211	3.911	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccnc(Cl)c1)c1ccccc1	855469568	KEBXFEFKWHFZHQ-AWEZNQCLSA-N	303.793	3.762	50	20	DHGD	
Cc1ccc2oc(C(=O)NC[C@]3(C)C[C@H]3Br)cc2c1	857400049	TYBPYSISDAPOPI-HIFRSBDPSA-N	322.202	3.645	50	20	DHGD	
CC1(C)CN(C[C@H](CBr)C2CC2)[C@H]1c1cccnc1	859362039	PUBLBFSAVSCTFB-GJZGRUSLSA-N	323.278	3.886	50	20	DHGD	
C[C@]1(C(=O)NNc2cccc(Br)c2)C[C@H]2CC[C@H]1C2	860313971	WKVUOSIPBXVNKN-PGUXBMHVSA-N	323.234	3.719	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2cccnc2)C1	891543868	NNVHZZMGFUTNSP-HNNXBMFYSA-N	320.509	3.708	50	20	DHGD	
O=C(COc1cccc(C(F)(F)F)c1)NN=C1CCCCC1	916295047	YUCDXHIZPDVHKP-UHFFFAOYSA-N	314.307	3.521	50	20	DHGD	
CC(C)[S@@](C)(=O)=NC(=O)CCCC[C@@H]1CCSS1	926069295	OJRYZAAFMKLXMM-ADLMAVQZSA-N	309.522	3.733	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc(C(C)(C)C)oc2C)c1	935024386	QKMHMSARBKJUHK-UHFFFAOYSA-N	320.364	3.790	50	20	DHGD	
C[C@H](C(=O)NN=C(c1ccccc1)c1ccccc1)n1cccc1	1319699333	ZMDWYROLRHPFIO-MRXNPFEDSA-N	317.392	3.618	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccc(-c2cccs2)s1	1323210582	LSMMUDOWZOPYNB-UHFFFAOYSA-N	319.386	3.768	50	20	DHGD	
C=CCN(Cc1cccc(C#N)c1)C(=O)C1CCC(Cl)CC1	1345811875	OCGMUNQWGARBLV-UHFFFAOYSA-N	316.832	3.870	50	20	DHGD	
COc1ccc(F)cc1[C@H](C)NC(=O)C1CCC(Cl)CC1	1348539355	BTOMWDMYQUCMQU-UNXYVOJBSA-N	313.800	3.809	50	20	DHGD	
CC[C@@H](CC(C)C)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1604982275	AXNRXZKXICSRHJ-JTQLQIEISA-N	312.797	3.554	50	20	DHGD	
COc1ccc2[nH]cc(/C=C(\C#N)C(=O)c3ccccc3)c2c1	38193550	CJNMFTWPZRCVKD-NTEUORMPSA-N	302.333	3.966	50	20	DHGD	
C/C=C/C=C/C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	75570222	QFRUEYDADIQMJZ-XPQLPGEHSA-N	321.380	3.639	50	20	DHGD	
COCc1ccccc1NC(=O)NNc1ccccc1Cl	92422292	UQCZBJYUCNKWCJ-UHFFFAOYSA-N	305.765	3.635	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(F)cc(F)c1	151060234	SYVSPJAXGRNDNV-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
Cc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)cc1C	152946494	XXMSNDIBTFJFLJ-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1ccc(F)cc1C	160691789	CONNLIKKWSNIBH-VAWYXSNFSA-N	314.360	3.689	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2cccc3cnccc23)c1	178525318	MEIZVSXVPYDSGT-UHFFFAOYSA-N	321.380	3.781	50	20	DHGD	
N#C/C(=C\c1cccc(C#N)c1)C(=O)c1ccccc1OC(F)F	183408784	NFTFFSYNLIMVCR-NTEUORMPSA-N	324.286	3.950	50	20	DHGD	
CC(C)CCOc1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1	206063803	UCYCJFOZNAEVCD-LFIBNONCSA-N	301.386	3.970	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1CCO[C@@H](C(C)C)C1	281883662	XLXAGRPQNZHXCI-DOTOQJQBSA-N	318.461	3.842	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1csc(Br)c1	295803181	FBOBPLOIHSVKIZ-FPYGCLRLSA-N	302.168	3.735	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2nc(Cl)cs2)cc1	490781289	AJRHHZSONSKRLY-YRNVUSSQSA-N	317.801	3.905	50	20	DHGD	
CN(C[C@H](CBr)C1CC1)C1CCC(F)(F)CC1	701842251	CMMJZEUXEZPLTB-NSHDSACASA-N	310.226	3.917	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)Cc1nc(-c2ccccc2)cs1	730568176	FTAGAYUHXSCUNL-LBPRGKRZSA-N	315.442	3.891	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3c[nH]nc3C(C)(C)C)[nH]c12	735618387	ADCPCLZDNFWDAW-WQLSENKSSA-N	305.385	3.956	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1csc(C)n1	741462487	GMXNYTYTTHGBMI-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
Cc1ccoc1C=NNC(=O)c1ccc(COc2ccccc2)o1	743431101	QVDBZRGNQIHFIF-UHFFFAOYSA-N	324.336	3.524	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2coc3ccccc23)cc1	746557149	RKODPZXKHPFZDT-UHFFFAOYSA-N	324.405	3.984	50	20	DHGD	
O=C(CCc1ccc(-c2ccccc2)[nH]1)NNc1cccc(F)c1	748088955	UXPBDGLJQLJQMJ-UHFFFAOYSA-N	323.371	3.897	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)CCC=C(C)C)c1	749156728	MMMZXJBZELKCRT-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
N#C/C(=C\c1csc(Br)c1)C(=O)c1ccoc1	752890650	RAPZZHPKNYOQRL-XCVCLJGOSA-N	308.156	3.893	50	20	DHGD	
C[C@@H](CC=NNC(=O)CCN1CCCCCC1)c1ccccc1	755580009	XDSLESQGCLZQED-KRWDZBQOSA-N	315.461	3.548	50	20	DHGD	
CC(C)CCO[C@@H](C)C(=O)NNc1c(Cl)cccc1Cl	763615438	DDGGSEDEKHGTLH-JTQLQIEISA-N	319.232	3.888	50	20	DHGD	
CCC1(C(=O)NNc2ncccc2C(F)(F)F)CCCCC1	764463933	WVALSLIIFSXBJZ-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)c1ccc(Cl)nc1	766018321	ZIZDFZCCHHIJKX-UHFFFAOYSA-N	319.714	3.573	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)C[C@@H](C)C1CCCCC1	772875545	CBBNBQUNTOLBJI-CYBMUJFWSA-N	304.438	3.650	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)c1nc(C)c(C)s1	776189504	HOKMWJMJTSGNST-WQLSENKSSA-N	300.383	3.841	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)C1CCCCC1	777872280	PWMGJBMNAIJFSB-JYRVWZFOSA-N	302.305	3.790	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccccc2OC(F)(F)F)C1	779208940	HTCNHXLCCHLTAZ-MNOVXSKESA-N	316.323	3.855	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(OCc3ccccc3)cc2)CC1	780687084	UFYDSWLPENCMHT-UHFFFAOYSA-N	318.376	3.561	50	20	DHGD	
Cc1ccc(CCCC=NNC(=O)NCc2ccco2)cc1C	783834284	TXLGKLAUBFGOSF-UHFFFAOYSA-N	313.401	3.704	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1ccc(OC(F)F)cc1	786676442	SBGXLHIUOGHGAJ-GARZTLJTSA-N	307.296	3.752	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccc(C)cc2F)ccc1Cl	788550140	STOACIZAXOHRSO-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](c2ccccc2)[C@H]1C	790880174	RFTANVCOBVRMAT-OCCSQVGLSA-N	310.488	3.585	50	20	DHGD	
C=C(CBr)CN(CCOC)[C@H](C)c1ccccc1	791452405	JSSFOQSYIZTIPF-CQSZACIVSA-N	312.251	3.647	50	20	DHGD	
C=C(CBr)CN(C)Cc1ccc(F)c(Cl)c1	791541240	QHDFJQKOBMFUDN-UHFFFAOYSA-N	306.606	3.862	50	20	DHGD	
CCSc1cccc(/C=C(/C#N)C(=O)C2CCOCC2)c1	794958238	JYLUCBJYTDCUAS-GDNBJRDFSA-N	301.411	3.701	50	20	DHGD	
CCCN(N=Cc1cc(C)ccc1OC)C(=O)OC(C)(C)C	794998149	JCYUROJMMOJQSC-UHFFFAOYSA-N	306.406	3.985	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1ccc(Cl)c(F)c1	798982863	QDZUERWWIKUPEP-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)N(C)CC(Cl)Cl	808247932	WRPRHKANAQMCFD-GFCCVEGCSA-N	302.245	3.908	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnnc(-c3ccccc3)c2)c1	810046763	WEXRETAFLYBZDI-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H](C)[C@H]1CCCOC1	813129590	DNCKDIPVZUXKMZ-CABCVRRESA-N	319.449	3.560	50	20	DHGD	
O=C(COCc1ccccc1)NN=C1CC[C@@H](c2ccccc2)C1	814855909	XZGRCBYQBYFLRA-GOSISDBHSA-N	322.408	3.643	50	20	DHGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1	816472779	RISPOGCKKRLWEC-TVQRCGJNSA-N	317.216	3.642	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2cccc(Cl)c2)cc1	817909171	WROBEKRVYDEKNV-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C(C)C)cc2)c(OC)c1	837057912	IBPAKBCKUANEQJ-UHFFFAOYSA-N	314.385	3.584	50	20	DHGD	
CC(C)(C)[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	840537161	APAQEXQDYQTZHD-RVSUXWIQSA-N	312.413	3.630	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2cn[nH]c2)CC1	852209275	OKPUEBLAEWWHRM-UHFFFAOYSA-N	309.530	3.644	50	20	DHGD	
Cn1nc(C(F)(F)F)cc1/C=C(\C#N)c1nc(C2CC2)cs1	853002174	IBNPKKTZYRCIIR-RUDMXATFSA-N	324.331	3.837	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2cccc(F)c2Cl)CCO1	862507092	UZOOJSWDEMLSEL-MNOVXSKESA-N	314.788	3.518	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cncn2C(C)C)cc1	901418502	IAFJNFYZQFYXMU-DHDCSXOGSA-N	308.385	3.572	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1sc2nc(C)nc(C)c2c1C	915970096	XNOOZIDAUIOEPQ-UHFFFAOYSA-N	318.446	3.503	50	20	DHGD	
COc1cc(C)ccc1C(C)=NNC(=O)Nc1ccccc1C	915971362	QUBBCDZRMFOQSC-UHFFFAOYSA-N	311.385	3.858	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cccc(F)c1	915977164	VUWPUBAYFSWIRQ-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
Cc1ccc(C=NNC(=O)CSc2ccc(Cl)cc2)s1	916273837	UPJCJQLNPHAOPV-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
C[C@H](C=NNC(=O)COc1ccc(Cl)cc1)c1ccccc1	916301749	BXVREXZYCUSTNN-CYBMUJFWSA-N	316.788	3.625	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1ccc(Cl)s1	917555143	CRWUQXYFZAJGDK-UHFFFAOYSA-N	308.790	3.570	50	20	DHGD	
C[C@@H](C[C@@H](O)c1cccs1)NC(=O)c1cccc(CCl)c1	1120710704	QGOQCGDVLBWDFW-SMDDNHRTSA-N	323.845	3.729	50	20	DHGD	
CC(F)(F)C1(C(=O)NNc2ccccc2C(F)(F)F)CC1	1330715699	OIHULSNUTBWRSW-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccccc2C)c1OC	7211022	YBGYHPRENAVHGE-RVDMUPIBSA-N	307.349	3.802	50	20	DHGD	
Cc1cc([C@H]2CCCN2C(=O)c2cccc(CCl)c2)on1	37833277	ADYNBFZVUNEKDP-CQSZACIVSA-N	304.777	3.699	50	20	DHGD	
N#Cc1cccc(CNC(=O)CCCC[C@H]2CCSS2)c1	45217213	DGOORHZQAFSSAA-HNNXBMFYSA-N	320.483	3.889	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(F)c(F)cc1Cl	45971708	POCVNBJTOHSXBA-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	73923837	ADXCPCJPUXWKHK-AYCSXLNKSA-N	318.417	3.563	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@@H](C)CC1CCCC1)c1ccccc1	114274488	ZMRUJXVVTWOAFC-YOEHRIQHSA-N	316.445	3.544	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	120876566	UPEQYJWWCMREDC-RYUDHWBXSA-N	300.324	3.807	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccccc1Oc1ccccc1	158689029	RYYKJCQRRXGMHW-YPKPFQOOSA-N	308.337	3.861	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	191764972	KMJCDOIVWXGHJT-GZTJUZNOSA-N	320.458	3.909	50	20	DHGD	
CC1=CC(=NNC(=O)COc2ccccc2-c2ccccc2)CC1	252512009	LJHKZMRNROUTSZ-UHFFFAOYSA-N	320.392	3.945	50	20	DHGD	
Cc1csc2nc([C@H]3CC[C@@H](Br)C3)nc(O)c12	277448490	HPONGNQWQJYRCB-JGVFFNPUSA-N	313.220	3.736	50	20	DHGD	
CO[C@@H]1CCC[C@@H](CC(=O)NNc2cccc3c2CCCC3)C1	281163214	KSNPUBHZVCROJY-GDBMZVCRSA-N	316.445	3.604	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ccc3c(O)nccc3c2)CC1	285658870	JRFJBKAWKAJQEH-UHFFFAOYSA-N	313.401	3.600	50	20	DHGD	
CCOCc1ccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)cc1	490845072	RPVRPNYPYRGUKT-LFIBNONCSA-N	324.355	3.908	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	728440651	QZMPGZUIBAOIIC-RMKNXTFCSA-N	300.189	3.639	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1cccc(C(F)(F)F)c1	732266855	NQASLTYOSLGUOC-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/C=C\c2ccccc2)cc1	734304207	FZGBNDJDEGNQDH-IPQOHRGYSA-N	302.377	3.775	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1	735616695	FIRBDVVUZQHIGL-GDNBJRDFSA-N	317.348	3.722	50	20	DHGD	
O=C(C[C@H]1CCOC1)NNc1c(Cl)cc(Cl)cc1Cl	739465607	GSOMTBKHERXLSK-SSDOTTSWSA-N	323.607	3.517	50	20	DHGD	
CSc1ccc(F)cc1CNC(=O)NNc1ccc(F)cc1	745928438	LLXBHWUBYMYCJM-UHFFFAOYSA-N	323.368	3.513	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Br)cc1)C1CCCC1	749521925	GHEKGOHARHFITC-JTQLQIEISA-N	311.223	3.719	50	20	DHGD	
O=C(NCC1(C2CC2)CC1)NNc1cc(Cl)ccc1Cl	752699222	MHFAPDDFOPLLLQ-UHFFFAOYSA-N	314.216	3.810	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cccnc1C1CC1	770191756	WIQIKJZWMZFPJF-UHFFFAOYSA-N	305.740	3.508	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1c(O)cccc1Cl	771672800	PCMLDFFIWJYGCA-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
Cc1cc(C)c(/C=C\C(=O)NNc2nccnc2C(C)C)cc1C	772817550	XNZMMJFKWUONIX-SREVYHEPSA-N	324.428	3.682	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)ccc1C	773137976	DAXRWJJZVXLALQ-ZSOIEALJSA-N	304.353	3.648	50	20	DHGD	
CC(C)c1cccc(NC(=O)NNc2cnc3ccccc3n2)c1	775453234	CDDPSVSCTHIMMN-UHFFFAOYSA-N	321.384	3.902	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNC(=O)C(C)(C)c1ccccc1	783964858	BAPIWOIKMSMQFH-HNNXBMFYSA-N	318.461	3.718	50	20	DHGD	
COc1cc(NNC(=O)c2c(C)noc2C(C)C)ccc1Cl	790187616	QSPNFOWODFKFTJ-UHFFFAOYSA-N	323.780	3.525	50	20	DHGD	
C=C(CBr)CN(CCc1cccc(F)c1)C1CC1	791460555	JTEYJBGDDWNQKW-UHFFFAOYSA-N	312.226	3.784	50	20	DHGD	
CC(C)n1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)n1	791726212	FPGBZEBIMBJKFP-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cccc(Cl)c1Cl	792205670	ZBMVFHGLWOEHGU-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(F)cc1	794781165	ILNVWLAEVBUKPU-UHFFFAOYSA-N	323.327	3.635	50	20	DHGD	
Cc1cccnc1[C@H]1CCCC(=NNC(=O)c2ccccc2)C1	799104819	GDZZRBQCJFERCK-INIZCTEOSA-N	307.397	3.834	50	20	DHGD	
CC(COC(C)C)=NNC(=O)c1ccc(OCCC(C)C)cc1	799869046	GXHMBZKIOLPVQR-UHFFFAOYSA-N	320.433	3.642	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2sccc2Cl)cc1Cl	803102358	HDEPXGRBZXTKHI-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Cc2cncc3ccccc23)cc1	806398333	FOAXRSZDTBYOSI-OAHLLOKOSA-N	319.408	3.865	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)N(C)CC(Cl)Cl	808247830	RHNZBKGVXJFXHF-JTQLQIEISA-N	306.208	3.657	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCCn1ccc2cc(Cl)ccc21	811203604	ZWIDEZKFLSDFAI-NTEUORMPSA-N	314.772	3.698	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(C3CCCC3)cc2)c1	812225683	MUCCLLFFFMXTAN-UHFFFAOYSA-N	317.392	3.980	50	20	DHGD	
CC(Cc1c(Cl)cccc1Cl)=NNC(=O)c1ccc[nH]1	814778567	LRQWVLXTMZYFHN-UHFFFAOYSA-N	310.184	3.670	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	816570160	LAGGSZDVAPDBCY-UHFFFAOYSA-N	311.307	3.622	50	20	DHGD	
Cc1sc(-c2ccco2)nc1C(=O)N(C)CC(Cl)Cl	816629291	GRRFDALAPWNARA-UHFFFAOYSA-N	319.213	3.587	50	20	DHGD	
CC/C(=C/C(=O)NNc1cccc(Cl)n1)c1ccc(C)cc1	817005310	NIUWGLUYNIYFFA-QBFSEMIESA-N	315.804	3.980	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@H]1CCCC[C@@H]1C	834932943	IFOUOPJBIMZVAS-GWCFXTLKSA-N	308.809	3.978	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2ncnc(Cl)c2C(C)C)c1C	840549302	ZCHOGCLTGBUWCE-UHFFFAOYSA-N	322.796	3.529	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1F	844547662	HHBQQHZWPDWMCI-ZTFCMROMSA-N	305.349	3.755	50	20	DHGD	
C#CC1CCC(=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CC1	853277047	KZZPVAWNBUFHBJ-UEWDXFNNSA-N	314.454	3.782	50	20	DHGD	
CCCCn1cc(C(=O)NNc2cc(Cl)ccc2F)c(C)n1	871271380	NOASJRFHDOELPY-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
O=C(CC(F)(F)C(F)(F)F)NNc1ccc(Cl)cc1F	885105221	XXIOJAMNCLPNBW-UHFFFAOYSA-N	320.620	3.510	50	20	DHGD	
CCNc1nc(C)c(C(=O)NNc2cc(Cl)ccc2C)s1	885128634	XTFXGPVDLPGZKQ-UHFFFAOYSA-N	324.837	3.602	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1c(F)cc(F)cc1F	885153474	JNLFLWDKISESQL-UHFFFAOYSA-N	312.291	3.886	50	20	DHGD	
CC(=O)N(c1ccc(NC[C@@H]2[C@H](C)[C@@H]2Cl)cc1)[C@H]1C[C@@H]1C	894645580	NZWXLKPUOUQFSE-FWVZSMNWSA-N	306.837	3.733	50	20	DHGD	
CCCCCCCOc1ccc(/C=C(\C#N)C(=O)NC)cc1	915271295	RSOKHWMPXSCJER-DTQAZKPQSA-N	300.402	3.689	50	20	DHGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCO2)C(=O)c1ccsc1	915989282	BTTZCXCCSHRUNC-JYOAFUTRSA-N	317.753	3.920	50	20	DHGD	
CCO[C@@H]1C[C@@H]1C(=O)NNc1c(Cl)cc(Cl)cc1Cl	916092682	ZSGGRKCKVKSYBC-OIBJUYFYSA-N	323.607	3.515	50	20	DHGD	
CNC(=O)CCNCc1cccc(S(F)(F)(F)(F)F)c1	921592253	LOIPFBJSVGBWOS-UHFFFAOYSA-N	318.311	3.570	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2ccc(F)c(F)c2)c1C	931074482	WVJKEDQGBOVAHS-VIFPVBQESA-N	323.347	3.589	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cc(Cl)ccn1	935274337	RTYLXLMGURJZTF-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
C[C@]1(CNC(=O)c2cccc(CCl)c2)CC1(Cl)Cl	1262627317	ONAVQJAOISVLIE-GFCCVEGCSA-N	306.620	3.739	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@@H]2C1	1319291365	HIJWBKXCEALVGW-FCVHUYCESA-N	311.385	3.971	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCCCC23CCCC3)cc1	1326227339	KDYOGTFICHEAHA-UHFFFAOYSA-N	300.402	3.915	50	20	DHGD	
C[C@H](c1cccc([N+](=O)[O-])c1)N(C)C(=O)C1CCC(Cl)CC1	1548618501	NNQBSDSLAPECOT-LKSINWNRSA-N	324.808	3.912	50	20	DHGD	
CCC(C)(C)C=NNC(=O)[C@H]1CCCO[C@H]1c1ccccc1	1549084664	UGROHCLSQLGCQR-HOTGVXAUSA-N	302.418	3.693	50	20	DHGD	
C[C@H](C=NNC(=O)Nc1ccc(C(=O)O)cc1)C1CCCCC1	1776045571	UPGJZPVRHPQMLI-GFCCVEGCSA-N	317.389	3.709	50	20	DHGD	
CCCCOc1ccccc1/C=C(/C#N)C(=O)NCc1ccco1	6853735	RWNSPWVJFCLOAW-VBKFSLOCSA-N	324.380	3.682	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)cc1Cl)C(=O)NC1CCCC1	14178332	CGKNSIMYFWLCLW-YRNVUSSQSA-N	309.196	3.959	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccc(-c2ccccc2)nn1	85655844	LQLGSFIKUBFRDX-UHFFFAOYSA-N	312.417	3.659	50	20	DHGD	
Cc1ccc(-c2csc(/C(C#N)=C\c3cnn(C)c3)n2)cc1	96884034	BKMISEDWAWRISL-CHHVJCJISA-N	306.394	3.916	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(OC(F)F)cc2)c1	102438052	MNZUBFGCXJIILH-UHFFFAOYSA-N	307.300	3.745	50	20	DHGD	
O=C(NNc1ccccc1)Nc1cccc(N2CCCCC2)c1	120222058	GQMSWJCFDDUMFL-UHFFFAOYSA-N	310.401	3.826	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cc2ccccc2[nH]1	120706553	AFKSUOJKGQMRFF-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc3c(c2)OCCO3)c1	124822385	NMPJCMFSCLSIMD-YVLHZVERSA-N	319.360	3.865	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1	125455714	YOPZJPUNBHJCHO-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1ccc(F)cc1	128672371	NKQNLRXJTCRMBS-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H](C)c1c(C)noc1C	131221833	AQVUEUXVKZGPIJ-JTQLQIEISA-N	318.329	3.526	50	20	DHGD	
CC(=O)c1c(C)[nH]c(C(=O)NNc2cccc(F)c2)c1C(C)C	151820721	KWQFSDQZCWQZJC-UHFFFAOYSA-N	317.364	3.545	50	20	DHGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1ccccc1F	153353784	NLOGEDOQJKGNGQ-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/C=C/c1ccc(F)cc1	158687168	WHUSJGHPYKOUOF-VCXFDYNHSA-N	322.339	3.936	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cccc(OCCOC)c1	171019376	SDWOINIEISIDTD-LFIBNONCSA-N	301.386	3.624	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Nc2ccc(Cl)cc2)c1	177694547	IMQGRXANOPCSCQ-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc([N+](=O)[O-])c1)c1ccccc1	178842016	JWTWSORZBPFHQJ-ZDUSSCGKSA-N	313.357	3.622	50	20	DHGD	
CSc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	188070901	XNMBMDDAHXTVBJ-LCYFTJDESA-N	310.378	3.660	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1cc2ccccc2s1	189603589	NTJRCTUIZIMFME-CDDSVFCYSA-N	300.383	3.522	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cn1	194533078	ATZQLBXBEKPWKD-CXUHLZMHSA-N	323.371	3.855	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1nccs1	213149153	WBIXTXPHIAFHIR-YFHOEESVSA-N	323.299	3.708	50	20	DHGD	
CC(C)(C)c1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1	215879695	AORSSQGBVSRDEW-RAXLEYEMSA-N	311.410	3.986	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cnc(C(C)C)s1	281684819	FOQUHPPYEDMYEC-UHFFFAOYSA-N	303.431	3.894	50	20	DHGD	
CN(CCc1ccncc1)C(=O)CCCC[C@@H]1CCSS1	299538939	UANCYIURAYKEBB-OAHLLOKOSA-N	324.515	3.797	50	20	DHGD	
CSSCCNc1ccc([N+](=O)[O-])cc1Br	309900095	HGEXUMPRVOMGAL-UHFFFAOYSA-N	323.237	3.780	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC(n2cc(Cl)cn2)CC1	378587513	JRJANNNUGHYCFS-UBKPWBPPSA-N	312.804	3.738	50	20	DHGD	
COc1cccc(C=NNC(=O)c2c(Cl)cccc2Cl)c1	727781726	VYELKJONSFMOQW-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=S)Nc1ccc(C)c(C)c1)C(C)C	729688519	IMGJJBAZXVZQDA-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
CC(C)COc1ccc(C=NNC(=O)c2ccccc2F)cc1	730141698	KTMNPTPVPXHCHO-UHFFFAOYSA-N	314.360	3.624	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)COCc1ccccc1	737434012	MTRRHRAGQOLOQW-XTUVWNMISA-N	314.429	3.998	50	20	DHGD	
C[C@@H](CC=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	755733925	KBRHFNIFBATZSZ-LBPRGKRZSA-N	316.788	3.955	50	20	DHGD	
CC(CC1CCOCC1)=NNC(=O)Cc1ccc2ccccc2c1	757575533	LNDLPAYKGANZHC-UHFFFAOYSA-N	324.424	3.691	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc(C#N)cc1)c1cccc(Cl)c1	763356513	RTROISNLLADSDQ-LBPRGKRZSA-N	311.772	3.731	50	20	DHGD	
C[C@@H](CC(=O)NNc1ncnc2ccsc12)C1CCCCC1	766678594	IBLZBPUGILQEKW-NSHDSACASA-N	318.446	3.741	50	20	DHGD	
N#CC1=CCN(C(=O)Cc2ccc(-c3ccccc3)cc2)CC1	767159951	LKUIWOZCHJSWDO-UHFFFAOYSA-N	302.377	3.578	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1cccc(C(F)(F)F)c1	769604476	BMBZTZIGTMXZJW-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
O=C(CCCCC(=O)c1ccc(F)cc1)NNc1ccccc1	779008097	DQUJJXXUYXMCRN-UHFFFAOYSA-N	314.360	3.712	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCC=CO1	781082469	RAXRUXWMNVWHNY-STQMWFEESA-N	301.477	3.509	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cc(Cl)cs1	782170209	YQYZRFGYYMXACA-UHFFFAOYSA-N	313.209	3.748	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CC[C@@H](Cc2ccccc2)C1	783022571	GJISSCQHJIEWDJ-FUHWJXTLSA-N	309.413	3.724	50	20	DHGD	
COc1cc(NNC(=O)/C=C/c2ccsc2)ccc1Cl	790179541	VGLCWWKANZAECZ-GORDUTHDSA-N	308.790	3.567	50	20	DHGD	
CSSCCNC(=O)N(C)C/C(C)=C/c1ccccc1	790879432	DOIHEPOMTLHIMQ-ACCUITESSA-N	310.488	3.743	50	20	DHGD	
C=C(CBr)COC(=O)Cc1c(C)oc2ccccc12	795594835	RDUIXVSHFMXEIV-UHFFFAOYSA-N	323.186	3.778	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1c(F)cccc1F	797947901	YRIVUKLRBNTSDX-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
O=C(NNc1ncccc1F)c1cccc(Nc2ccccc2)c1	804217528	BQYPWBRRNJBBFE-UHFFFAOYSA-N	322.343	3.721	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1c(C)noc1C	812932139	MPIKODZSNKSGAX-UHFFFAOYSA-N	302.378	3.872	50	20	DHGD	
CO[C@@H]1CCC[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1	816472777	RISPOGCKKRLWEC-NOZJJQNGSA-N	317.216	3.642	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(C)cc2Cl)CCO1	836935809	BMGWZRQBZZPSOG-CHWSQXEVSA-N	310.825	3.687	50	20	DHGD	
N#C/C(=C/c1cnn(CCCl)c1)c1nc(C2CC2)cs1	843274621	ZDGZJDBHCXDBGO-XGICHPGQSA-N	304.806	3.520	50	20	DHGD	
COc1ccc(NNC(=O)C[C@H](C)C2CC2)c(C(F)(F)F)c1	857265329	JKTSSJQELNEABU-VIFPVBQESA-N	316.323	3.593	50	20	DHGD	
N#C/C(=C/c1ccsc1C(F)(F)F)C(=O)[C@H]1CCCOC1	863190276	QKBSLEWHJYEWPO-OYUORYAFSA-N	315.316	3.670	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2cc(Cl)ccc2F)C1	871271524	QVMFQYMVSAVMLX-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cnn(C2CCC2)c1	899338748	MNNAXDVLUQICOI-CXUHLZMHSA-N	320.396	3.771	50	20	DHGD	
CCc1onc(C)c1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	899339082	UVOKAYKHXSUQRY-NTEUORMPSA-N	309.369	3.708	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c[nH]c2ccc(C(=O)O)cc12	899361941	ZRYDCZCICZRYIZ-HKMIMPICSA-N	310.353	3.778	50	20	DHGD	
C#CCCCCC(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912583339	VUPROVNNXRMIAN-HNNXBMFYSA-N	309.526	3.803	50	20	DHGD	
CC(C)CC(=NNC(=O)c1ccccc1O)c1cccs1	917532185	MSHTVCFRSRMUHX-UHFFFAOYSA-N	302.399	3.634	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCc1nccs1	917953365	JYRQIMAWAHAKFM-SNVBAGLBSA-N	303.474	3.900	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)CNc1ccccc1	920363100	QZRWARBLDWBBOP-UHFFFAOYSA-N	309.413	3.532	50	20	DHGD	
CC(C)(C)Oc1ccc(CNC(=O)CCl)c(C(F)(F)F)c1	1324706122	HQBXQAOIHYFEIF-UHFFFAOYSA-N	323.742	3.738	50	20	DHGD	
Cc1cnc([C@@H](NC(=O)C2CCC(Cl)CC2)C2CC2)s1	1349041042	KRVZNCYAKLXFNS-BPCQOVAHSA-N	312.866	3.816	50	20	DHGD	
CC(C)c1cccc(NC(=O)NNc2cccc(C(=O)O)c2)c1	1591992276	VJFMSQZPUABPQS-UHFFFAOYSA-N	313.357	3.657	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)Nc1nccs1	48625177	ZUBMRESERYAEMX-YCRREMRBSA-N	324.192	3.996	50	20	DHGD	
COCCCOc1cccc(/C=C(/C#N)C(=O)C(C)(C)C)c1	63866789	RTILUVJZNQOGPZ-PTNGSMBKSA-N	301.386	3.624	50	20	DHGD	
CSc1ccc(NC(=O)c2c(C)nn(CCCl)c2C)cc1	74042007	KSNLGHLGZLLPSB-UHFFFAOYSA-N	323.849	3.713	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1c(C)[nH]c2ccccc12	119113627	AUOOPSGODKYISJ-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
CCOC(=O)[C@H](Br)c1ccccc1C(F)(F)F	129772601	DOTSPEPTWFXRIP-SECBINFHSA-N	311.097	3.705	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)Nc1c(Cl)cccc1Cl	129914054	GPVOVDISBSUKMH-XBXARRHUSA-N	324.192	3.996	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc([N+](=O)[O-])cc1)c1ccccc1	134079445	WLSNQURJTWPLBB-CYBMUJFWSA-N	313.357	3.622	50	20	DHGD	
CSc1ccc(NC(=O)NNc2c(F)cccc2F)cc1	154325659	BYMZZNWMMOTDNB-UHFFFAOYSA-N	309.341	3.835	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc3cc(C)ccc3o2)c1	157106629	WVCIRFAEYUAWHP-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(F)cc2C(F)(F)F)cc1	158794205	RQQXCIZMSPKSSL-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCN(Cc1cccc(Cl)c1)S(=O)(=O)CCCCCl	163415225	DFWQZFWOUYCNCI-UHFFFAOYSA-N	324.273	3.511	50	20	DHGD	
O=C(/C=C/Sc1ccccc1)NNc1c(F)cccc1F	178959349	OCJAVWWDMMZUSE-MDZDMXLPSA-N	306.337	3.714	50	20	DHGD	
Cc1cc(O)c(C(C)C)cc1NS(=O)(=O)CCCCCl	190796537	QVQIPXRWPPVPQE-UHFFFAOYSA-N	319.854	3.585	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2OC)cc1	212890709	PCVYWOHQFWZTGJ-PTNGSMBKSA-N	322.364	3.558	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C\c1ccc(Cl)cc1	254397382	ARJRIODXTMVTTN-UMFRXALVSA-N	302.805	3.942	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccccn2)c1C	282640301	KYVAICUDYWXNLL-LFIBNONCSA-N	322.412	3.796	50	20	DHGD	
CSSCCNC(=O)Nc1ccccc1C(F)(F)F	285334978	UTVQUGKOITWDHT-UHFFFAOYSA-N	310.366	3.838	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc2c(O)nccc2c1	285788362	TXWOSSCMUNMWAT-CYBMUJFWSA-N	315.417	3.990	50	20	DHGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)NCc1ccccc1	491087308	WUWXCDAOHIMRHE-LICLKQGHSA-N	310.784	3.649	50	20	DHGD	
CCCc1cnc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)s1	588431655	VHGZWNSIULEQPX-XYOKQWHBSA-N	315.373	3.780	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(OC)c1	726429674	VHGALTIEXZOGEJ-UGMNDJHYSA-N	309.369	3.607	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)c1nccs1	732621587	BTQSZHSNOHYGHO-UHFFFAOYSA-N	319.455	3.628	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCCOc2ccccc2)c(C)c1	743763492	MAGLRHKAMRIVFZ-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
Cc1ccc(C(=O)NNc2nccc3sccc23)c(F)c1	749535710	BVTPHPGPVRTEDW-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)NC(C1CC1)C1CC1	752829513	HDCPEYXLLXWDME-UHFFFAOYSA-N	314.216	3.808	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C[C@H]2C[C@@H]2c2ccccc2)cc1	755743106	JOKGVVWLKHDYID-CRAIPNDOSA-N	322.412	3.664	50	20	DHGD	
Cc1cc(F)ccc1CCNC(=O)NNc1ccccc1Cl	756071603	WDJFCXFNUWTLMN-UHFFFAOYSA-N	321.783	3.656	50	20	DHGD	
C[C@H](C=NNC(=O)c1cc2c(s1)CCC2)c1ccc(F)cc1	756876149	HMRVPGJFYCTGHA-LLVKDONJSA-N	316.401	3.895	50	20	DHGD	
CCOc1ccc(O[C@H](C)C(=O)NN=C(C)CCC2CC2)cc1	768766520	BVIMTYLTCGQTKZ-CQSZACIVSA-N	318.417	3.535	50	20	DHGD	
C[C@H](NC(=O)NNc1c(F)cccc1Cl)c1ccccc1	771287940	VYMAKCDJRVHKCI-JTQLQIEISA-N	307.756	3.866	50	20	DHGD	
Cc1ccc(NNC(=O)c2ncoc2-c2ccc(F)cc2)cc1	771721448	FQZVKQRPAARJNS-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
C[C@@H]1C[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)CCC1=O	775463820	BSKLVPPNGQJGSN-CVEARBPZSA-N	322.408	3.861	50	20	DHGD	
Cc1cc(N(C)C)ccc1NC(=O)NNc1cccc(Cl)c1	775496178	GHEMFAUFBHYCLL-UHFFFAOYSA-N	318.808	3.863	50	20	DHGD	
C[C@H]1C[C@H](C)CCC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	783790498	HJQZXNTVYJDVPH-OLZOCXBDSA-N	310.401	3.619	50	20	DHGD	
C=C(C)CN(Cc1ccc(CO)o1)/C(=C\C#N)c1ccccc1	796383954	RXIGUSKMNZIUFQ-GRSHGNNSSA-N	308.381	3.715	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2F)o1	797334977	GVFCPKVMUQKTEQ-UKTHLTGXSA-N	312.344	3.765	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)c2nc3cc(F)ccc3s2)nn1	806571059	CJPCKXSLUMDVOK-YHYXMXQVSA-N	313.361	3.672	50	20	DHGD	
N#C/C(=C/c1cnc2ccccn12)c1cc(C(F)(F)F)ccn1	812246672	REFDPUSGQCHNEM-XFFZJAGNSA-N	314.270	3.812	50	20	DHGD	
CC[C@@H]1C[C@@H](C(=O)NNc2c(C)cccc2C(C)C)CCO1	812766573	RVKVCLISIOYHDD-LSDHHAIUSA-N	304.434	3.767	50	20	DHGD	
CO[C@H]1CCC[C@H](C(=O)NNc2cc(Cl)cc(Cl)c2)C1	816472780	RISPOGCKKRLWEC-ZANVPECISA-N	317.216	3.642	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)N(C)CC(Cl)Cl	816628238	MWTNITRRLRZTLD-JTQLQIEISA-N	306.258	3.570	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(Cl)cc2F)cc1	817915291	HMMPODXKVGMMIQ-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
CCC(=NNC(=O)c1cnn(-c2ccccc2)c1)C1CCCC1	834958194	GXNSZSDZELELST-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
C=C(CBr)CN(C)[C@H](C)Cc1cccc(F)c1	839196333	UVLUAHVUIAASQE-GFCCVEGCSA-N	300.215	3.640	50	20	DHGD	
CCc1cccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)c1	844547707	IPXNBCVMEIRWEW-NTEUORMPSA-N	322.330	3.709	50	20	DHGD	
CC[C@@H](COC(=O)/C(C#N)=C\c1cccc(OC)c1)CC(F)F	845768869	NSEKJOOPWXRITJ-AISSWFOISA-N	323.339	3.827	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1[C@@H]2CCC[C@@H]2C1(C)C	853286027	GTADWRFSNABDLE-YPMHNXCESA-N	320.820	3.891	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccncc2C#N)C1	853897361	DYARUVRPMHOEMQ-CQSZACIVSA-N	303.482	3.554	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)C1CCC(C(F)(F)F)CC1	856091234	HOPBTFCVGXYCSP-UHFFFAOYSA-N	321.730	3.547	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccc(Cl)c(C)c2)c1	857830997	OGYWINYURSRNQO-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
BrC[C@@H](CN1CCC[C@@H]1c1cccnc1)C1CC1	859210655	MJDNAIHQYCQTKJ-LSDHHAIUSA-N	309.251	3.640	50	20	DHGD	
CC(C)(C)OCCCC(=O)OC[C@@H](CBr)C1CC1	859689668	UMPQCOGTDFYGKB-GFCCVEGCSA-N	321.255	3.546	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1cnnc2ccccc12	894893388	RGFJDKJAFZRYBB-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)c2cccc(O)c2)C1	912584206	FYVJHQWZCLUYOY-HNNXBMFYSA-N	321.493	3.629	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccccc2C)c1C	915844909	AZHSKDKKZWUWEK-PDGQHHTCSA-N	319.408	3.612	50	20	DHGD	
CCC(=NNC(=O)c1cc2c(s1)CCC2)c1cccs1	916319274	ZRNZACOWVMASBC-UHFFFAOYSA-N	304.440	3.842	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc2ncccc2c1	916351027	XEZYRWCRPQLQET-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
COC(=O)/C(C#N)=C/c1ccc(Oc2cc(F)cc(F)c2)cc1	921261388	MYSYBPLTDBHVHT-WUXMJOGZSA-N	315.275	3.837	50	20	DHGD	
CC(C)(C)c1nc(COC(=O)/C(C#N)=C\c2ccccc2)co1	922655385	SWBVNHAFRVRQFK-ZROIWOOFSA-N	310.353	3.622	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(Cl)cc1C	928340585	VVCWBIPHEAMDST-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@@H](C)CC2CCCCC2)o1	1116067825	CXAVSBCKCJTVBP-LBPRGKRZSA-N	318.421	3.719	50	20	DHGD	
CN(C)CCN(C(=O)c1cccc(CCl)c1)c1ccccc1	1338815497	KYNSCIGJZDSAPW-UHFFFAOYSA-N	316.832	3.634	50	20	DHGD	
Cc1cc(NNC(=O)N[C@H](C)c2ncccc2C)ccc1Cl	1521280074	RSIXZDSUOXPPNO-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
O=C(NCCc1ccc(Cl)s1)C1CCC(Cl)CC1	1527462247	WAVBOGUKTPYNOU-UHFFFAOYSA-N	306.258	3.858	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc([N+](=O)[O-])cc2)cc1	7765555	BEZCAPQBDIZVRI-MHWRWJLKSA-N	322.320	3.554	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnn(C(C)(C)C)c2)c(C)c1	44023329	XHJAJPWVBCZKGX-CXUHLZMHSA-N	322.412	3.801	50	20	DHGD	
Cc1cc(NNC(=O)c2ccsc2)ccc1Br	114889755	UMBKFPPQMBOYDG-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
COc1ccc2oc(C(=O)NNc3ccccc3C)c(C)c2c1	120287171	UEZWOZGAHLLABS-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2ccc3ccccc3c2)c1	150860541	UGSXJOLATHJJRG-UHFFFAOYSA-N	308.356	3.973	50	20	DHGD	
CCC[C@H](NC(=O)NNc1ccccn1)c1ccc(F)cc1F	155524940	HKGKDRUEJAEDLZ-AWEZNQCLSA-N	320.343	3.527	50	20	DHGD	
Cc1c(N[C@H](C)C(C)C)cccc1C(=O)NNc1ccccn1	181189832	GQWVISJHRADICH-CQSZACIVSA-N	312.417	3.603	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1[C@H]2[C@H]3CC[C@@H](C3)[C@H]21	247620098	SZCXBZFOPAVYCH-SGMIIOHOSA-N	311.516	3.861	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c(C)n1CC(C)C	280959957	KLGCVCFEDNKOTH-ZJTXRKTBSA-N	314.429	3.664	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2CCC(=O)c3ccccc32)c1	285455410	ZRBAGADHRHHHRO-QGZVFWFLSA-N	308.381	3.507	50	20	DHGD	
O=C(/C=C\c1ccccc1)NNc1ncc(Cl)cc1Cl	492650315	QIFGQKCZHMNNRB-SREVYHEPSA-N	308.168	3.545	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1ccncc1	727781693	VLAKABJVTBAAMR-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CC[C@H](Cc1ccccc1)NC(=O)NNc1ccccc1Cl	727943444	FBMHEWBLAXAHCZ-CQSZACIVSA-N	317.820	3.987	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)C12CC3CC(CC(C3)C1)C2	728785133	WBADPBWAGOWBQQ-UHFFFAOYSA-N	321.424	3.880	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C(c2ccccc2C)C2CC2)cc1	731923649	WEBSCVYJZUZCON-UHFFFAOYSA-N	321.424	3.646	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)[C@H](CC)c1ccccc1	735249349	XYEHAKDKGPNWDZ-DOTOQJQBSA-N	318.461	3.934	50	20	DHGD	
Cc1c(NNC(=O)N[C@H](C)CCC(C)(C)C)cccc1[N+](=O)[O-]	737061482	ORRFCCZGOHKMLV-LLVKDONJSA-N	322.409	3.744	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ccc(Cl)nc3)cc2c1	743816145	LCDZSRGRYBJGDN-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(C)ccc2C)c(Cl)c1	748414033	CNGFPFOOVSHEBP-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CC1(O)CCC(NC(=O)CCCC[C@@H]2CCSS2)CC1	749463861	YTJXQVFLHGGETN-JVWICGRDSA-N	317.520	3.510	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2csc(-c3ccsc3)n2)o1	752175142	VXPUYLMUMFHUSH-UHFFFAOYSA-N	317.395	3.537	50	20	DHGD	
Cc1cccc(NNC(=O)C(F)(F)c2c(F)cccc2F)c1	757781438	AMSIPRVHADAYNZ-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1Cl)c1ccccn1	758070655	SNBBBMGCQBEXQN-ZDUSSCGKSA-N	313.788	3.789	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cc(F)cc(OC)c1	759310780	KNYHFKKCNFETFN-CYBMUJFWSA-N	308.397	3.884	50	20	DHGD	
CC(C)(C)C[C@H](NC(=O)NNc1ccc(F)cc1)C(F)(F)F	760051722	HKXQGNGLBZHCSL-NSHDSACASA-N	321.318	3.819	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1	760463079	MJIYTHSGVNAJJV-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1cccc2cnccc12	765016116	PITUKRNCHCDIQZ-UHFFFAOYSA-N	313.401	3.608	50	20	DHGD	
CCc1cccnc1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	766489652	AHCARGFDUWWCKD-UHFFFAOYSA-N	322.320	3.925	50	20	DHGD	
Cc1nc(COC(=O)[C@H](Br)C(C)(C)C)sc1C	766752184	OZCDBSPTJRYJCS-JTQLQIEISA-N	320.252	3.613	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1nc2ccc(OC)cc2cc1C	768392615	RNJNUPPXIQWKOS-UHFFFAOYSA-N	315.417	3.821	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2nc3ccccc3[nH]2)cc1	768501386	DPLLZHJVRJTASV-UHFFFAOYSA-N	322.412	3.727	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)CCc1ccccc1O	769585353	MDFGQPQIRYXSOD-UONOGXRCSA-N	302.418	3.643	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1cnc2ccccc2n1	774791747	OAFLOLMYOAVGCF-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
CC(C)C[C@H](C)n1nccc1NC(=O)NNc1ccccc1	775755569	QDLCPAAYTFNZKO-ZDUSSCGKSA-N	301.394	3.639	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(Cl)ccn1)c1cccc(Cl)c1	778450222	ZCMXHAHIRZLUPO-YFHOEESVSA-N	322.195	3.935	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccsc2)cc1	780817497	CJOPQQQRVJCXJZ-UHFFFAOYSA-N	303.431	3.872	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC(C)(C)C2)c(Cl)c1	781689111	JJPXXJAUGUVPAK-LLVKDONJSA-N	323.824	3.627	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1C=NNC(=O)CC(C)(C)C	785453116	BLKGIEXEBRTEOG-UHFFFAOYSA-N	300.324	3.900	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1cccc(-c2ccccc2C)c1	786045266	ZXJUKUGAIKUVFX-SFQUDFHCSA-N	311.406	3.961	50	20	DHGD	
C#CCN(CC(=C)CBr)[C@@H]1CCc2ccccc21	791444055	AJKRYEJABNCHQR-MRXNPFEDSA-N	304.231	3.560	50	20	DHGD	
CSc1cccc(NC(=O)NNc2ncccc2C)c1C	792358813	CHDFQENFFVGABA-UHFFFAOYSA-N	302.403	3.569	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2c(cc1OC)C[C@@H](C)O2	794874415	KYIDIBGTOFDDBU-AZZDOICSSA-N	313.397	3.931	50	20	DHGD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NNc1ccc(F)cc1	795021773	XNOGSGPFSBYWDN-ZDUSSCGKSA-N	311.360	3.560	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(Cl)c(F)c1)c1cccnc1	797949852	GLRPGZXCEVVCAI-HNNXBMFYSA-N	321.783	3.757	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@H]1CCCSC1	810658089	FUBRTEXTTLNPKI-ZETCQYMHSA-N	323.220	3.719	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cscc1C(F)(F)F	811635210	PAVJVLKWVWBEQH-UHFFFAOYSA-N	312.316	3.839	50	20	DHGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)NCCCSC#N	816539798	SYVFISLBDWYPMO-CQSZACIVSA-N	320.458	3.606	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NN[C@@H](C)C(F)(F)F)oc12	818032757	DJGVEUPPELMWEY-JTQLQIEISA-N	314.307	3.543	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CCCC[C@@H]1C	819576175	JKUXNZJXIVAINS-QWRGUYRKSA-N	310.829	3.523	50	20	DHGD	
CCS[C@@H](C(=O)NNc1cc(Cl)nc(Cl)c1)C(C)C	819744024	ZXXNQAOVAZZYGW-LLVKDONJSA-N	322.261	3.609	50	20	DHGD	
C[C@H]1CN(/C(=C\C#N)c2ccc(F)cc2)CC2(CCCC2)O1	830854206	OMZOMVZISSHESS-RHUPODBASA-N	300.377	3.724	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C12CC3CC(CC(C3)C1)C2	855365352	IXDQOJGCRHDLSA-UHFFFAOYSA-N	302.393	3.794	50	20	DHGD	
CC[C@@H](C)Oc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856092905	KGWXHDXUQYRORE-LLVKDONJSA-N	319.792	3.669	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2ccc(C)c(F)c2)cc1	856229758	WDJBWZZDQURCLM-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
CC/C=C(\C)C(=O)NNc1ccc(Cl)cc1Br	856232411	CDPFKTMJXPTSLC-XBXARRHUSA-N	317.614	3.902	50	20	DHGD	
C[C@@H](Nc1ccccc1S[C@@H](Cl)C(F)(F)F)C(=O)O	904199823	MSWQGUFICCLROS-LHLIQPBNSA-N	313.728	3.791	50	20	DHGD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@]1(C)C[C@H]1Br	906936531	GSOFDBBZMPOWDR-XKVFNRALSA-N	322.246	3.565	50	20	DHGD	
O=C(NN=C1CC[C@@H]2CCCC[C@@H]2C1)c1ccc(Cl)nc1	915973206	HJMGESKXIQHSJT-NWDGAFQWSA-N	305.809	3.811	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc2ccccc2n1)c1ccccc1	916242868	KHFAPBRGYUJLBJ-CQSZACIVSA-N	303.365	3.754	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1cc(F)ccc1F	916287433	CZVSHAOVPHULGB-UHFFFAOYSA-N	313.307	3.600	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)c1c[nH]c2ccccc12	916287904	PRGUDGSWCRJEQE-UHFFFAOYSA-N	321.380	3.719	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cc(C)oc1C	916310037	LTPRPVUWSGQRLV-UHFFFAOYSA-N	314.429	3.953	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](CC(C)(C)C)c1ccc(F)cc1	917605230	XESVECAONOIZQF-OBEJXRGXSA-N	318.392	3.863	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(C)CCc1cccc(C)c1	920373935	ROWGIIREFKXMPX-UHFFFAOYSA-N	324.424	3.671	50	20	DHGD	
Cc1cc(NNC(=O)c2cncc(OC(C)C)c2)ccc1Cl	928341291	VZHMRJDOBJXMFB-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
C[C@]1(CNCc2ccccc2N2CCCC2)C[C@@H]1Br	1118752944	VCZHLZPLZQTHJQ-JKSUJKDBSA-N	323.278	3.550	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1ccc(-c2ccccc2)s1	1322449287	LZIGVBJKMWCAJE-UHFFFAOYSA-N	316.426	3.612	50	20	DHGD	
C[C@@H](CNC(=O)C1CCC(Cl)CC1)c1nc2ccccc2o1	1528572855	VCDNGSIMTRWTMG-HIFPTAJRSA-N	320.820	3.845	50	20	DHGD	
C[C@@H](CC(C)(C)C)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1592439484	KQLPFTFQYXRHJW-VIFPVBQESA-N	312.797	3.554	50	20	DHGD	
Cc1ccc(C(=O)NN=C(c2ccccc2)c2ccccc2)o1	10129568	KEUYLCHGWOWQKN-UHFFFAOYSA-N	304.349	3.770	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(Br)cc2)c1	48425769	AEGYOTKODJAFMU-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2cccc(C(F)(F)F)c2)c1	103276473	YTEXOOAWCRAOBM-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
O=C(COc1ccc(Cl)cc1)NNc1ccccc1Cl	120788983	GZKKBAQXARQCMM-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
CC(C)CCOc1ccc(NC(=O)NNc2ccncc2)cc1	122138570	HWTACYWLCZSZBI-UHFFFAOYSA-N	314.389	3.655	50	20	DHGD	
CCCO[C@H]1CCCN(/C(=C/C#N)c2ccc(F)cc2)CC1	175440480	NFDHVEHIWDLPCL-WENWWWKYSA-N	302.393	3.971	50	20	DHGD	
COCCOc1ccccc1/C=C(\C#N)c1nc2ccccc2[nH]1	176674604	KFELZJNVUJSDSH-NTCAYCPXSA-N	319.364	3.652	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(F)cc1C(F)(F)F	178372888	ZENNBLKJRPVTIP-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)Nc1ccc(Cl)cc1	255383791	ISKCUCSOKMUBNC-ZROIWOOFSA-N	307.740	3.757	50	20	DHGD	
Cc1cccnc1CNC(=O)CCCC[C@H]1CCSS1	264097871	AMACVFWLVXANCY-ZDUSSCGKSA-N	310.488	3.720	50	20	DHGD	
C[C@H]1C[C@H](CC(=O)NNC(=O)CC2CCCC2)CC(C)(C)C1	727488856	ZRWYLMGQKLBIMA-DZGCQCFKSA-N	308.466	3.567	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)c1oc2ccccc2c1C	728784936	NUQHEHOORIIDRG-UHFFFAOYSA-N	317.348	3.767	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=S)Nc1cccc(C)c1C)C(C)C	729517677	XZVDYNLEUGQWEX-AWEZNQCLSA-N	321.490	3.693	50	20	DHGD	
CC1(c2ccccc2)CC(NC(=O)NNc2ccc(F)cc2)C1	730068105	DARQVOWUIGZZLC-UHFFFAOYSA-N	313.376	3.572	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(C)c(O)c(C)c1)c1ccccc1	731931838	RAQRGFADFPEYGB-QGZVFWFLSA-N	310.397	3.653	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CCC[C@@H]2c2ccccc2)c1	732527617	CPNRJOCJUZBNNS-GOSISDBHSA-N	321.424	3.806	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc2occc2s1	736676119	RMBVPAPAJYRPMZ-UHFFFAOYSA-N	312.272	3.669	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccc(F)cc1)c1ccc(O)cc1	741159603	AERGJNZNNYRXGB-MRXNPFEDSA-N	312.344	3.585	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C/C=C\c2ccccc2)cc1	741765423	ZFDNCCNRARERBR-GHXMFXPRSA-N	308.385	3.573	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@H]1CCSc2ccccc21	742042926	WVMKVYANCYBUAJ-AWEZNQCLSA-N	302.374	3.548	50	20	DHGD	
CC[C@H](Oc1ccccc1F)C(=O)NNc1ccccc1Cl	748303947	XJNXLXYWEAMVJL-AWEZNQCLSA-N	322.767	3.780	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	750892628	IVICIQIKXKTNRR-RAXLEYEMSA-N	314.385	3.987	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)o1	753931481	GVHDCMLMUNEWKH-UHFFFAOYSA-N	302.761	3.905	50	20	DHGD	
Cc1csc(C=NNC(=O)c2cc3c(s2)CCCCC3)n1	755589283	QIZSJEMFDBXRHC-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(F)c1)c1ccc(Cl)cc1F	755755711	OGQKJUVCHHPGCT-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2nc(Cl)cs2)c1	759075213	JYORRSQSLUSNMM-POHAHGRESA-N	304.758	3.595	50	20	DHGD	
Cc1ccc(CN(CCI)C(C)C)s1	759342126	LRFUQGYYQSNKJQ-UHFFFAOYSA-N	323.243	3.702	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cnc1Cl	760211684	OQVSCOKRTWMXLP-UQWTUQMWSA-N	317.820	3.645	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(C)sc2C)cc1	760232744	KODNVFQQYSUCKK-UHFFFAOYSA-N	318.467	3.916	50	20	DHGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)NC1CCCCC1	766006300	AQVPKNNMCQWEJA-UHFFFAOYSA-N	305.344	3.727	50	20	DHGD	
Cc1c(NNC(=O)C(C)(C)C2CCCCC2)cccc1[N+](=O)[O-]	767093608	KYCLGUAWIFXRFT-UHFFFAOYSA-N	319.405	3.953	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	767862779	RWZOCJGSGMFLRJ-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccc2C(F)(F)F)sn1	770062468	WVWNKLBYHQNBDL-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
CC[C@@H](NC(=O)CCCC[C@H]1CCSS1)c1ncc[nH]1	771580299	MHAFBFATAJTRFP-NWDGAFQWSA-N	313.492	3.691	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cnc2ccccc2c1	781070597	MJQBBOLTDCQVIY-CYBMUJFWSA-N	321.218	3.983	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c(C)c1	782017221	SRXJCFUDTOBLMG-SJORKVTESA-N	318.461	3.896	50	20	DHGD	
CC(C)[C@H](F)C(=O)NN(Cc1ccccc1)c1ccccc1	784008318	GXQQOLMTPLKPFK-KRWDZBQOSA-N	300.377	3.719	50	20	DHGD	
C[C@@H](OC(=O)[C@H](Br)C(C)(C)C)c1ccc(C#N)cc1	784733846	SQPYWBMFVLWWAQ-MFKMUULPSA-N	324.218	3.972	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCC#Cc1ccc(Cl)cc1	785378122	KUBQUVFUDOMZGT-GHRIWEEISA-N	321.763	3.842	50	20	DHGD	
Cc1ccc(-c2nc(COC(=O)/C(C#N)=C/C3CC3)cs2)o1	786668414	FVUJAGIEXAZUNT-WUXMJOGZSA-N	314.366	3.615	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CCCc1ccc(C)s1	788192931	LDMCJKVRJWTYSO-UHFFFAOYSA-N	322.405	3.670	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2cccc(F)c2[N+](=O)[O-])CC1	790585269	GRRWOFGQOOHWMY-HAQNSBGRSA-N	323.368	3.639	50	20	DHGD	
Cc1cccnc1NNC(=O)C(C)(C)c1ccc2ccccc2c1	791221238	QZONDXKNDSCRQS-UHFFFAOYSA-N	319.408	3.964	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc2c(c1)N(C)CC2	799410094	YOMQEOROEOERHY-UHFFFAOYSA-N	324.428	3.698	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2cccnc2)C1)c1ccccc1F	799866540	KHUSNQYWIFAQGO-CYBMUJFWSA-N	311.360	3.664	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc(Cl)cn2)cc1	803085487	QZRZLFHEFAXIRB-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
O=C(NNc1ncccc1F)[C@@H]1C[C@H]1c1ccc2ccccc2c1	804213804	QMWGRDOZRQNSCP-JKSUJKDBSA-N	321.355	3.621	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3c(C)cc(O)nc3c2)c1	809731159	PWFJOAJVVMJHCL-UHFFFAOYSA-N	321.380	3.623	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2c(C)cccc2C(C)C)o1	812767187	UZDYMJTUXAYZQU-UHFFFAOYSA-N	300.358	3.671	50	20	DHGD	
COCCC(C)=NNC(=O)c1cc2c(s1)CCCCCC2	814755562	FZMSUMATZYSIMU-UHFFFAOYSA-N	308.447	3.549	50	20	DHGD	
O=C(NN=C1CCCC12CCCCC2)c1cccc([N+](=O)[O-])c1	834914226	NDWOSCXBVKYCRT-UHFFFAOYSA-N	315.373	3.815	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccc2c(c1)CCCO2	843878726	XDJDYOPJKXXZKB-UHFFFAOYSA-N	324.424	3.568	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	844134121	ISKVEJLFYYTRET-VHSXEESVSA-N	315.339	3.616	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccccc2C(C)C)cc1	848401362	YZIMRUPZZPSITP-UHFFFAOYSA-N	309.413	3.681	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C1[C@@H]2CCCC[C@@H]12	856233873	DYUDTDMKWDFABO-NXEZZACHSA-N	321.833	3.829	50	20	DHGD	
C[C@H](C(=O)OC[C@H](CBr)C1CC1)c1ccsc1	859563582	QYXQZOGGUSZZJP-CABZTGNLSA-N	317.248	3.816	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)[C@@H](C)C(C)C)c1C	915166978	SPKWGFYBGFUQGN-LZNAANCOSA-N	315.461	3.925	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	915956445	TZWMCLCTIHRTHZ-LBPRGKRZSA-N	317.433	3.560	50	20	DHGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1cccs1	916345907	ICIGTWICYFBXRN-UHFFFAOYSA-N	322.430	3.910	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2cc(C)cc(C)c2)cc1	916616719	NBAUWUNQXLHURG-WQRHYEAKSA-N	321.376	3.962	50	20	DHGD	
C/C=C\COC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	923147125	NFKUDINEYLEFCO-CLAOVGSUSA-N	300.402	3.931	50	20	DHGD	
Cc1cc(NNC(=O)[C@H](C)c2c(C)noc2C)ccc1Cl	928341050	MEZBBYBKGSEFET-SECBINFHSA-N	307.781	3.500	50	20	DHGD	
CN(CCCCC1(C#N)CCC1)NC(=O)OCc1ccccc1	931153759	KRDOKUMJAMPUCE-UHFFFAOYSA-N	315.417	3.624	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C/C(=O)O)o1)c1nccc2ccccc12	1777566084	KPDUKJQYHBOPBV-UWWXTLEHSA-N	316.316	3.990	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CCSc2c(F)cccc21	114931754	QQYBWBJTHJMWFQ-AWEZNQCLSA-N	317.389	3.689	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2ccc(Cl)c(Cl)c2)cc1	120462418	SLEMGFXQCCXQJP-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
COc1cccc(-c2nc(/C=C(/C#N)C(=O)C(C)C)cs2)c1	128084633	WCVZONKWMKVMBE-QPEQYQDCSA-N	312.394	3.951	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(F)c(F)c1	130496704	DXIQTMJKMHTOAV-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCCCSCCC(=O)NNc1ncc(Cl)cc1Cl	133071264	ZSYMYWBZEKCFLL-UHFFFAOYSA-N	322.261	3.755	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(-c3ccccc3F)o2)c1	152449270	JDJMDVTZVYCDEA-UHFFFAOYSA-N	321.311	3.714	50	20	DHGD	
CC1(CC(=O)NNc2ccc(C(C)(C)C)nn2)CCCCC1	156818362	VJTOYPTVSCCEGP-UHFFFAOYSA-N	304.438	3.578	50	20	DHGD	
CCn1cc(CC(=O)NNc2ccc(C)cc2)c2ccccc21	158919130	OSXRDZAPZNUXIM-UHFFFAOYSA-N	307.397	3.655	50	20	DHGD	
CC(C)N(C)c1cccc(NC(=O)NNc2ccc(C#N)cc2)c1	160093241	FIQLAOHRJBCKQE-UHFFFAOYSA-N	323.400	3.551	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2ccccc2C(F)(F)F)c1	160180048	GNMYRKCAIWTNDA-WQLSENKSSA-N	319.286	3.590	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ccc(Br)cc2)c1	170725333	SQHZLXQGLGVJRI-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(-c2cccs2)on1	179006314	WDFMONAWVRQTIB-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1	194532177	BIBZXVVAFNSNIY-WJDWOHSUSA-N	305.308	3.628	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(Cl)cs2)cc1	195228472	ATNCRIWSEPXNCS-MLPAPPSSSA-N	316.813	3.933	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)CCCc2ccccc2)c1	727684301	HATKEGZOEGJZAF-UHFFFAOYSA-N	324.424	3.948	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cc2ccccc2o1	727689650	XVNOVGMWOFEOFI-UHFFFAOYSA-N	306.365	3.906	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)c1cccc(Cl)c1	735244832	JEAPGRBQQZWNES-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
C=CCOCCCC(=O)NN=C(c1ccccc1)c1ccccc1	742516687	GVWLCISLQRRUFD-UHFFFAOYSA-N	322.408	3.538	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)OC1CCCCC1	742575802	MSMDKMKMKCPMLU-XYOKQWHBSA-N	305.761	3.828	50	20	DHGD	
COc1cc(CC(=O)NNc2c(C)cc(C)cc2C)ccc1C	743762462	XAJJEMPLRIRHGH-UHFFFAOYSA-N	312.413	3.615	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)NNc2c(C)cc(C)cc2C)c1	743765093	XHZVTQUJXJHKEV-OAHLLOKOSA-N	312.413	3.867	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccccc1Cl	744773170	KAQKWKKJWPIHIG-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
COc1cc(C2(C(=O)NNc3ccccc3)CCC2)ccc1C	749523817	LMTWBVWUKKPSDZ-UHFFFAOYSA-N	310.397	3.569	50	20	DHGD	
O=C(NN=C1CCCOc2ccccc21)c1cc2ccccc2o1	749818213	SMYOOPQXPHJEKX-UHFFFAOYSA-N	320.348	3.740	50	20	DHGD	
CCc1ncc(C(=O)NNc2cc(Cl)ccc2Cl)s1	752813131	ROVWBRQTLNCHFP-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
O=C(/C=C\c1ccco1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421113	CXAIZMPFULRNQY-YFHOEESVSA-N	309.277	3.960	50	20	DHGD	
COc1ccc(C[C@@H](C)C=NNC(=O)CC2CCCC2)cc1F	758109820	RMYSOHOCLXEYSH-CYBMUJFWSA-N	320.408	3.695	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCCc2cc(C(C)(C)C)ccc21	766045331	SWGPYDPNNYQRBV-FYWRMAATSA-N	312.413	3.707	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1cccc(N(C)C)c1	769567515	AYHXZROQJMRIFQ-KBPBESRZSA-N	301.434	3.685	50	20	DHGD	
Cc1nc2ccc(NC(=O)NNc3cccc(C#N)c3)cc2s1	769926596	QMCMEOOSKQHNPR-UHFFFAOYSA-N	323.381	3.625	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)c1	773453596	DYWPYJOXQRSYDD-GFCCVEGCSA-N	300.324	3.975	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)O[C@H](C#N)C2CCCCC2)c1	782449595	VWJKEBZCSIAVND-CFINBHSISA-N	324.380	3.618	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1ccc(Cl)cc1Cl	786672955	CTCQQNOVTRDFMK-BJMVGYQFSA-N	324.163	3.579	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1ncccc1Cl	790719151	PBZZRQPBPXJJER-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
C=C(CBr)CN(CCC)Cc1ccc(OC)cc1	791452192	FOLXJDUXHFJYOM-UHFFFAOYSA-N	312.251	3.858	50	20	DHGD	
C=C(CBr)COC(=O)CC(C)(C)c1ccccc1	795463418	APCSUJRDSGDGNP-UHFFFAOYSA-N	311.219	3.849	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(F)c(C#N)c1	799396728	MSVFELTWQUFFHP-UHFFFAOYSA-N	312.348	3.717	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC([C@H]2CCOC2)CC1	808746905	ZMHMYDVFBDVNMV-INIZCTEOSA-N	313.558	3.757	50	20	DHGD	
O=C(NN=Cc1ccc(C2CCCC2)cc1)c1ccc(O)c(O)c1	812229850	JCRFFLZTOKEDTK-UHFFFAOYSA-N	324.380	3.519	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1cccc(Cl)n1)c1ccccc1	814274393	LIPGEDJRTNAUFX-CYBMUJFWSA-N	318.808	3.903	50	20	DHGD	
CC[C@@H](C=NNC(=O)NCCc1cccs1)c1ccccc1	814818388	PWBMCMSAQBNDRI-AWEZNQCLSA-N	315.442	3.769	50	20	DHGD	
COc1ccc(NC(=O)NN=C/C=C\c2ccc(F)cc2)cc1	814999706	LDAYTWJDDCZULE-TWWJHWNPSA-N	313.332	3.655	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@@H]2C[C@H]2c2ccccc2)cc1	815000110	RIFXAHGHYRANPB-YOEHRIQHSA-N	309.369	3.606	50	20	DHGD	
Cc1cc(Oc2ccccc2)ccc1NC(=O)NN(C)C1CC1	824178814	HLHQKVRPLNDFLR-UHFFFAOYSA-N	311.385	3.918	50	20	DHGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	828822222	FHVZZUDFZDYUOZ-ZYHUDNBSSA-N	315.339	3.760	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(F)(F)F)[nH]1	831243669	UKJGMOKRKOMAEU-UHFFFAOYSA-N	311.307	3.661	50	20	DHGD	
CCC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)C(C)(C)C	836819682	SBRJFDFNIFXTNQ-UKYUDJEDSA-N	300.402	3.630	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCC1CCC(F)(F)CC1	837677999	FUYYHDWAXMXXHW-XNTDXEJSSA-N	305.324	3.962	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC(C)C)c(OC)c1)[C@@H]1C[C@H]1C	841612281	HLLTXCOHOAYFQP-TZMCWYRMSA-N	318.417	3.634	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccc(CC(C)C)cc1	846643960	SJIVHBQLQQJIRF-UHFFFAOYSA-N	316.376	3.790	50	20	DHGD	
CC(C)(C)[C@H]1CCCC(=NNC(=O)c2cccc(F)n2)CC1	853442346	OAPUUVPIMUITSG-LBPRGKRZSA-N	305.397	3.933	50	20	DHGD	
C[C@@]1(CNC2CC(c3cccc(F)c3)C2)C[C@@H]1Br	857065341	MKEPPVAUCKJESW-MOQPVCNJSA-N	312.226	3.835	50	20	DHGD	
BrC[C@@H](CN1CCC[C@H](c2ccncc2)C1)C1CC1	859300687	DABPDPFDGOYDHQ-HOTGVXAUSA-N	323.278	3.682	50	20	DHGD	
Cc1cccc(NNC(=O)Nc2ccc(OC(C)C)c(C)c2)n1	860684808	RBSMYNMOEYDMQI-UHFFFAOYSA-N	314.389	3.634	50	20	DHGD	
Cc1sccc1NC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2	870689058	DVLZWGCCKNTXCE-XHVZSJERSA-N	314.248	3.949	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2ccc(F)cn2)cc1	874646952	JWHXJHJFPYVUCU-UHFFFAOYSA-N	317.364	3.545	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)CCc2ccco2)C1	912585381	TWPBSWBPVALCCU-HNNXBMFYSA-N	323.509	3.835	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc2ccccc2n1)c1ccccc1	916242867	KHFAPBRGYUJLBJ-AWEZNQCLSA-N	303.365	3.754	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)CC(F)(F)F)c1ccccc1	917553294	ZBBSVJHTCSEGJA-UHFFFAOYSA-N	300.324	3.896	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)cc(C)c2)c1	921261119	AWAFAOUQTFJFQU-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(C(C)(C)C)nn1)C1CCCCC1	1318597618	NNJONGWXWYLHEL-ZDUSSCGKSA-N	318.465	3.824	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cn(C)nc1C(C)(C)C	1319717932	ONPLVCQRCOBYMR-GXDHUFHOSA-N	307.397	3.816	50	20	DHGD	
O=C(NCCc1ccc2[nH]ccc2c1)C1CCC(Cl)CC1	1348601353	SIGAFFRJSRRMAZ-UHFFFAOYSA-N	304.821	3.624	50	20	DHGD	
CC1(CC(F)(F)F)CN(C(=O)c2cccc(CCl)c2)C1	1358285524	DLGHLNVBTPACDB-UHFFFAOYSA-N	305.727	3.840	50	20	DHGD	
C[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1)[C@@H](C)C(C)(C)C	1589552472	GAMMPTKFHYWTGJ-NXEZZACHSA-N	323.345	3.517	50	20	DHGD	
CC(C)(C(=O)O)c1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1589634080	QXTPAHGWKRENGZ-UHFFFAOYSA-N	323.820	3.785	50	20	DHGD	
O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccc[nH]1	7903486	HTCCYQZAWDGIIX-UHFFFAOYSA-N	317.392	3.586	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@@H]3C)o2)c1	16967983	NARCEVZHCGRXOX-BZSZFFDFSA-N	322.364	3.957	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc2ccccc2c1	91984110	QOFPLZAATMRQHZ-UHFFFAOYSA-N	322.324	3.897	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc3c(s2)CCCCC3)cc1	155662465	JZXDFPXHFQBIBY-UHFFFAOYSA-N	311.410	3.646	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2csc(-c3ccoc3)n2)c1	158974706	RRUGGTXJVYMSAY-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)c1cc2ccccc2s1	163620756	JYSQODXPMQTUPQ-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnn(C3CCCC3)c2C)c1	163785522	IZPKUKUEBZFSNI-UHFFFAOYSA-N	312.417	3.680	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCO[C@@H](Cc2ccccc2)C1	181541400	PWRAMBMIGTXIAT-LVWFPGDPSA-N	322.383	3.634	50	20	DHGD	
CCC1=C(C(=O)NNc2cccc(C(F)(F)F)c2)CCCO1	189659240	HMZQVKZOIUVQCA-UHFFFAOYSA-N	314.307	3.623	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2F)s1)C(=O)NC1CC1	215051979	VMVWHEAETUTTOZ-LUAWRHEFSA-N	312.369	3.740	50	20	DHGD	
C[C@H](O[C@H]1CCCC[C@H]1I)C(F)(F)F	253127842	MPNWWFLFGMQOMM-RNJXMRFFSA-N	322.108	3.700	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C)c1	255014493	VVOUDOLFLOEBNG-BOPFTXTBSA-N	306.365	3.687	50	20	DHGD	
CC(C)n1nccc1C(=O)NNc1ccc(C(C)(C)C)cc1	272772834	DGFPTUDWAZGXMD-UHFFFAOYSA-N	300.406	3.518	50	20	DHGD	
O=C(/C=C\c1cccc(O)c1)NNc1cc(Cl)ccc1Cl	492735343	MAQPQVIZSIXRDN-DAXSKMNVSA-N	323.179	3.856	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cn1	588578198	XVJGZRHFCVTLLF-WQRHYEAKSA-N	319.408	3.944	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)c3ccc(C#N)cc3)C2)cc1	729820149	YBOJBSVJPNRYLN-UHFFFAOYSA-N	303.365	3.530	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H](c1cccs1)C1CC1	735756331	SNHVRGOZOFAAPM-CYBMUJFWSA-N	323.368	3.804	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2cccc(Cl)c2)c(C)c1	743762591	CJHAXQJWBAWJRQ-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21)c1cc(Cl)ccc1O	744775963	KRVGDCDNNPVYIU-JHEVNIALSA-N	318.804	3.588	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1cc(F)c(F)c(F)c1	746704122	ULHKOKKBVUKQNJ-ZJUUUORDSA-N	300.324	3.763	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NNc2ccccc2F)cc1	748059084	HBIMOSALKPGGML-UHFFFAOYSA-N	323.371	3.990	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccccc1Br)C(C)C	748068337	OQONMWLOAKKHGQ-LLVKDONJSA-N	313.239	3.965	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(OC(C)C)cc1	752175130	VRGMIEWFEUBPIZ-UHFFFAOYSA-N	300.358	3.529	50	20	DHGD	
O=C(NCc1ccsc1)NNc1cc(Cl)ccc1Cl	752860352	CLEYEMSJBIHTQI-UHFFFAOYSA-N	316.213	3.881	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccccc2C(F)(F)F)C1	759129428	HAUWHHBRTGXADM-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccc(Br)c(C)c1	762805664	OBLYYDVNNXRTJK-NTMALXAHSA-N	311.223	3.947	50	20	DHGD	
CC1(C)CCCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)C1	767748231	BBXAGIWSPCJALR-UHFFFAOYSA-N	310.401	3.763	50	20	DHGD	
CCCCc1ccc(NC(=O)NNc2nc(C)cc(C)n2)cc1	769923161	RKSXSKUYWJIIIJ-UHFFFAOYSA-N	313.405	3.585	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H](c1ccccc1)C1CC1	770407338	KCHBPDYVWUALPC-BXUZGUMPSA-N	311.219	3.754	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NC1(Cc2ccccc2)CC1	775018975	CBUSCDJSORQKMO-ZDUSSCGKSA-N	324.262	3.688	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNC(=O)NC1CCCCC1	780157289	YMDVSZIXAHYQLJ-KRWDZBQOSA-N	311.470	3.646	50	20	DHGD	
Cc1ccc(CNC(=O)[C@H](Br)C(C)(C)C)cc1F	781071418	WWBFLYUFGALJFG-LBPRGKRZSA-N	316.214	3.560	50	20	DHGD	
CO[C@H](C(C)=NNC(=O)c1cc2ccccc2o1)c1ccccc1	782243440	UZSOHIUCXCZZAZ-GOSISDBHSA-N	322.364	3.926	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	783705170	AJPAZZJPDOLLLU-HAQNSBGRSA-N	305.809	3.871	50	20	DHGD	
COC1CCC(=NNC(=O)c2c(Cl)cccc2Cl)CC1	783847915	WOHRCCDLAVDPCB-UHFFFAOYSA-N	315.200	3.668	50	20	DHGD	
COc1cccc(NNC(=O)Nc2ccc(C3CCC3)cc2)n1	786222572	XDORIEFNEYHIGU-UHFFFAOYSA-N	312.373	3.506	50	20	DHGD	
COc1cc(NNC(=O)NCCC2=CCCCC2)ccc1Cl	788846276	SKGNMMRGMWKHBM-UHFFFAOYSA-N	323.824	3.865	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2ccc(F)cc2s1	791224061	NSZKSXOHFXMXLU-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
C=C(CBr)CN1CCO[C@@H](c2ccc(CC)cc2)C1	791542581	NLKVTMCXUAUKJL-MRXNPFEDSA-N	324.262	3.573	50	20	DHGD	
CSSCCNC(=O)Nc1ccc2nc(C3CC3)oc2c1	794223972	IQZJGAOUXHGGFO-UHFFFAOYSA-N	323.443	3.838	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)C(C)(C)CC)c1C	794882105	ZPCBKOSMXZOUPI-UKTHLTGXSA-N	316.401	3.721	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCCc2sccc21	798047223	PRZVGADXMVEIJK-KAMYIIQDSA-N	324.405	3.730	50	20	DHGD	
O=C(C[C@@H]1CCCC[C@H]1O)NN(c1ccccc1)c1ccccc1	798278913	SOCYEWCDTUYROW-QFBILLFUSA-N	324.424	3.797	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C)cc1-c1ccnn1C	801648087	NJVFALGRGCMMST-LUYJPIOASA-N	307.397	3.918	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2F)sc2ccc(F)cc12	804212322	PNMQKJNKPXHYKP-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
CCOc1cc(Cl)ccc1C(=O)N(C)CC(Cl)Cl	808245860	GRHQVSRBBRADHZ-UHFFFAOYSA-N	310.608	3.614	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccc(F)cc2)CCCC1	808249008	VODPMPMSMSCTHK-UHFFFAOYSA-N	318.219	3.900	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCCN2c3ccccc3C[C@@H]2C1	810051952	PRLGVOCXYRDUKG-GTBBCORBSA-N	315.420	3.688	50	20	DHGD	
OCC[C@@H](NCc1ccc(OCCCCl)cc1)c1ccco1	811491080	ZLQMBIVNICUKEC-MRXNPFEDSA-N	323.820	3.501	50	20	DHGD	
COc1ccc(Cl)cc1/C=C(/C#N)c1ccc([N+](=O)[O-])cn1	812244579	FKCYFZMTDUHZGT-WDZFZDKYSA-N	315.716	3.716	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)cc1O)c1ccc(F)cc1F	814811015	LCLVDQHYKXVSGD-UHFFFAOYSA-N	318.323	3.523	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cnc(CC(C)C)s1	824850655	SBRPJHAPTZBNJU-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CC[C@H]2CC2(Cl)Cl)c1	830792403	XTEJWEDDNHBNCL-NSHDSACASA-N	301.217	3.721	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2OCCc3ccccc32)cc1	837052504	GJJJCQLZOPPDAV-SFHVURJKSA-N	310.397	3.567	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1=CCCCCC1	840545072	AGRNHGOLPZAWFB-UHFFFAOYSA-N	308.813	3.587	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(F)c1	849245288	QEUBEADUJRGBKP-LFTLCWSBSA-N	303.333	3.525	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618590	LDUKWXITFKQSJL-IINYFYTJSA-N	314.788	3.518	50	20	DHGD	
Cc1csc(C(=O)NNC(=O)Nc2ccccc2C(C)C)c1	860240183	CCIGWKBSUMLQSR-UHFFFAOYSA-N	317.414	3.646	50	20	DHGD	
Cc1cc(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)no1	891542499	FYIFJOWLIOXJHO-CYBMUJFWSA-N	324.497	3.609	50	20	DHGD	
CN(C(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccsc1	892553979	ZRUZEGPFPFOWGS-XHVZSJERSA-N	314.248	3.665	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2c[nH]c3ccccc23)c(C)c1	916287472	GUTBNPIVOTXXKL-UHFFFAOYSA-N	305.381	3.857	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)cc1O)c1ccc(Cl)cc1	917555851	ICUISUUFXVZROM-UHFFFAOYSA-N	316.788	3.898	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc3c2CCOC3)cc1	935301872	JIIKKPZAPMFPPH-UHFFFAOYSA-N	324.424	3.814	50	20	DHGD	
Cc1cccc2nc(C(=O)NNc3ccc(C(C)(C)C)cc3)cn12	1320790713	XKVWTFIISCJHNG-UHFFFAOYSA-N	322.412	3.697	50	20	DHGD	
O=C(CCl)NC[C@H]1CC2c3ccccc3C1c1ccccc12	1336910704	YXYCYANDFUKKBS-BLJYYBPWSA-N	311.812	3.639	50	20	DHGD	
Cc1cc(NC(=O)NN(Cc2ccccc2)c2ccccc2)no1	53494458	WYFFVKMRPOCTLL-UHFFFAOYSA-N	322.368	3.726	50	20	DHGD	
CCCc1ccccc1NC(=O)c1c(C)nn(CCCl)c1C	114234936	DCOSRRNHNZUJDG-UHFFFAOYSA-N	319.836	3.944	50	20	DHGD	
COc1ccc(C(F)(F)C(=O)NNc2cc(C)cc(C)c2)cc1	161111167	ZRASUXNSWNHSDG-UHFFFAOYSA-N	320.339	3.547	50	20	DHGD	
COc1csc(C(=O)NNc2ccccc2C(F)(F)F)c1	176497756	YRXJUKNVIDKKBM-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
Cc1cccc(C(C)(C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	185691382	PFLVPHONMHYQHV-VBKFSLOCSA-N	320.392	3.659	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(Cl)cc(Cl)c1OC	194856457	BEKBPGYZBUCWIS-BJMVGYQFSA-N	312.152	3.638	50	20	DHGD	
COc1ccc(/C=C/C(=O)NNc2ccc(Cl)c(F)c2)cc1	492235195	UWRUKOFAANUBPP-RUDMXATFSA-N	320.751	3.644	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2cccc(F)c2)cc1[N+](=O)[O-]	588597247	CMXPRQBPQULNBF-AUWJEWJLSA-N	310.284	3.832	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2F)s1)C1CCC1	731935972	DJODQMHQLMFJQA-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1oc(C(C)C)nc1C#N	733953456	LIKDIRDSKZVYNJ-CYBMUJFWSA-N	318.421	3.719	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1ccccc1OC(F)F	734264500	CYLONUVDIARUPA-LLVKDONJSA-N	321.327	3.675	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)s1	734304397	IKNKZPFARKSJSH-GDNBJRDFSA-N	310.422	3.842	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)nc2)oc2c(C)cccc12	743817163	ZRXOMZPOQQWSFW-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CCCN(CC(C)C)C(=O)/C(C#N)=C\c1ccc(OCC)cc1	751596839	QFDMKWYULQMGHW-ATVHPVEESA-N	314.429	3.887	50	20	DHGD	
CC(C)CSCCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	751737228	GLHTUAYHXIVKKX-GDNBJRDFSA-N	319.426	3.622	50	20	DHGD	
CCC1(C)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1	751870357	CZJXILMBILDTAZ-QINSGFPZSA-N	300.377	3.771	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	752144486	YKRJESVSLBYMIB-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc(C(F)(F)F)cc1	752174627	QHPMWYVUQNGVKG-UHFFFAOYSA-N	310.275	3.761	50	20	DHGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccoc2)cc(OC)c1O	752887451	KOVDBRNBQGMROG-NVNXTCNLSA-N	309.321	3.512	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNC(=O)c1cccc2ccccc12	753238097	GYDVNJMOMSEQGN-UHFFFAOYSA-N	312.413	3.673	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1cncc(F)c1	759126245	ARTKWPWEZAFDNG-UHFFFAOYSA-N	307.328	3.704	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cccc(C#N)c2)ccc1[N+](=O)[O-]	766780197	VPVRPRIHJCQGPR-NVNXTCNLSA-N	305.293	3.539	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(F)cc(F)c1	767011982	IOQZAHURCMRAMK-JTQLQIEISA-N	306.150	3.713	50	20	DHGD	
CN(N=Cc1ccc(-c2ccc(Cl)c(Cl)c2)o1)C(N)=O	767909252	KRJBDSRYPWQMFR-UHFFFAOYSA-N	312.156	3.598	50	20	DHGD	
CC(C)(C)OCc1ccccc1C(=O)NNc1cccc(F)c1	773480977	HAOHDAHFOWXOCG-UHFFFAOYSA-N	316.376	3.898	50	20	DHGD	
C[C@H]1CC[C@@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1	776487729	LIZZLEVGDIDYID-WDEREUQCSA-N	316.323	3.507	50	20	DHGD	
COC[C@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	777878304	YZXRMMISJOCMEO-LBPRGKRZSA-N	322.474	3.795	50	20	DHGD	
O=C(NCCCCCc1ccc(F)cc1)NNc1ccccc1	779687669	LRINYXVECANMSO-UHFFFAOYSA-N	315.392	3.865	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@@H](C)[C@H]2C)cc1	781121713	DBTYRMAOAFLGSK-ZIAGYGMSSA-N	302.418	3.556	50	20	DHGD	
O=C(NN=C[C@@H]1CCSC1)c1cc2c(s1)CCCCCC2	782167329	RYXUWUKRLVJJTH-LBPRGKRZSA-N	322.499	3.876	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)cs1)C(=O)c1ccc(Cl)s1	782207821	RZCMKXYAFIYVCV-CLTKARDFSA-N	323.782	3.951	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)[C@@H]1CCCOC1	794881289	CBAYRBPOHWDWIX-GWHHBTOMSA-N	310.180	3.896	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)c1ccccc1F	799757236	ZVAUXTVOJJAGJH-ZDUSSCGKSA-N	300.377	3.943	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1ccc(Cl)cc1	806092736	CBWHCSOZWMQZLY-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3c2OCO3)cc1C	809145609	BFRMLYLMCPTBJH-SXGWCWSVSA-N	305.333	3.822	50	20	DHGD	
COCc1ccccc1/C=C(/C)C=NNC(=O)OC(C)(C)C	814213014	SZLKBWKSGBTWAR-UKQCQBALSA-N	304.390	3.747	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2cc(Cl)ccc2Cl)o1	815853403	IZQOXZFTBIVCPG-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1cc(C)n(C(C)C)n1	817360171	LHFVSZXWWPSGHE-UHFFFAOYSA-N	321.812	3.883	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1nccc2sccc12	825853972	CIIPARUYCGUMMT-QMMMGPOBSA-N	317.336	3.718	50	20	DHGD	
C[C@H]1CC[C@H](C)C(=NNC(=O)c2cccc(OC(F)F)c2)C1	834954546	ZIXTVBFKQYIIAE-QWRGUYRKSA-N	310.344	3.830	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCc1ccc(Cn2ccnn2)cc1	840206520	HCFXBMGIRDHFSU-UHFFFAOYSA-N	303.482	3.848	50	20	DHGD	
C[C@H]1C[C@@H](NC(=O)NNc2ccc(Cl)cc2Cl)CS1	840419789	YAXGEKXIUXCPJK-IONNQARKSA-N	320.245	3.514	50	20	DHGD	
C[C@@H]1C[C@@H](CNCc2ccc(OCCCCl)cc2)[C@@H](C)O1	840964610	SPLBVRAIVORFRA-FMKPAKJESA-N	311.853	3.597	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccnc(Cl)c1	852002704	CWTCOOHPGOQJRU-PEXQALLHSA-N	303.631	3.559	50	20	DHGD	
CC[C@@H](CNC(=O)NNc1ccc(C)c(F)c1)CC(F)(F)F	854171856	GIFRLWLTSQFSQR-SNVBAGLBSA-N	321.318	3.739	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3cccc(Cl)c3)CCC2)n1	862524438	KNHUZTDVEQLVSO-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCCC2)c1C	865247073	PEGPBSWZXLSGRH-AQTBWJFISA-N	313.445	3.825	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2c(F)cccc2F)cc1	916345956	QWJZIROFAUHSJV-UHFFFAOYSA-N	320.364	3.516	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OC/C=C/Cl)c1C	916618867	VYTOHTSLHXOORH-VSDXDJRBSA-N	306.793	3.718	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1ccc(C(C)C)cc1	920374684	IECGOVINDWYPEL-UHFFFAOYSA-N	310.397	3.511	50	20	DHGD	
O[C@H]1C[C@@H](NCc2cccc(S(F)(F)(F)(F)F)c2)C1	922165485	HNVQANMPXPCPGN-AOOOYVTPSA-N	303.296	3.957	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(C)c(Cl)c2)cc1C	1115831418	DYLKYFFZNVNRRL-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
Cc1cc([C@H](C)NC[C@H](CBr)C2CC2)c(C)o1	1118815270	GOVYWUCIGVWRCD-GWCFXTLKSA-N	300.240	3.968	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc(C(=O)O)cc1	1594390537	UMDCGTNMZYLWTQ-UHFFFAOYSA-N	312.369	3.574	50	20	DHGD	
CCCCC1CCC(C(=O)NNc2nc(C)cc(C)n2)CC1	22233459	VSPPUHFWQCXDAS-UHFFFAOYSA-N	304.438	3.533	50	20	DHGD	
N#C/C(=C/c1cc(-c2ccccc2)cs1)C(=O)N1CCCC1	54801996	XNMTZCRZLHBQMX-GDNBJRDFSA-N	308.406	3.944	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1cccc(CO)c1	102001868	NQCPJBBDWZRQFM-AWEZNQCLSA-N	311.472	3.832	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)cc1	132447940	IAMHVAFWLWZMOY-CCRNYGKSSA-N	320.392	3.617	50	20	DHGD	
C[C@@H](CBr)CNC(C)(C)c1ccc(F)c(F)c1	152795172	NJMJUXUZDWQKPY-VIFPVBQESA-N	306.194	3.821	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1F	153701948	VCOINTWGYHUPRD-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
COc1ccccc1-c1ccc(/C=C(\C#N)C(=O)NC(C)C)cc1	172691236	YMRLXIULNJXESZ-SFQUDFHCSA-N	320.392	3.794	50	20	DHGD	
Cc1ccccc1C=NNC(=O)c1cc2ccccc2cc1O	252461657	NGQQUJDEAANSKS-UHFFFAOYSA-N	304.349	3.618	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2ccc(C(C)(C)C)cc2)cc1	254351563	SZLXEDIOYGELNS-UHFFFAOYSA-N	310.397	3.757	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C(C)(C)C#N)cc2)cc1	294492148	WZDHVDVJGVHQRA-UHFFFAOYSA-N	323.396	3.643	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1	492317240	JMELGXCIAQBZPZ-GQCTYLIASA-N	305.381	3.941	50	20	DHGD	
CCCN(N=C(C)c1ccc(C#N)s1)C(=O)OC(C)(C)C	495807506	ASUKFGYOXNHXEW-UHFFFAOYSA-N	307.419	3.991	50	20	DHGD	
CCCN(N=Cc1ccc([N+](=O)[O-])s1)C(=O)OC(C)(C)C	496765053	CQEXZUKGXHXYFI-UHFFFAOYSA-N	313.379	3.637	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1cccc(Oc2ccccc2)c1	588555545	OQWLWFUOTHGYOO-ATVHPVEESA-N	313.378	3.778	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(F)cc3F)cc2c1	733363320	ZKGATXGBGJZUNM-UHFFFAOYSA-N	301.296	3.511	50	20	DHGD	
O=C(NCc1ccc(C(F)(F)F)cc1)NNc1ccccc1	734267160	XNSGOEXUZNEVQW-UHFFFAOYSA-N	309.291	3.532	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)n2cnc3ccccc32)c(C)c1	743763618	AVLKDMWPPCODGH-HNNXBMFYSA-N	322.412	3.666	50	20	DHGD	
Cc1cc(O[C@H](C)C(=O)NNc2cccc(F)c2)ccc1Cl	748088268	HMWONEFSBKRZIJ-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)nc1)c1cccc2ccccc12	748789597	VXMZUPLRUZNCRK-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756018275	TVLOZFPIIYRCLO-MGPQQGTHSA-N	317.389	3.644	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1cccc(F)c1F	766746170	DCRZIBURLYGOKA-LLVKDONJSA-N	321.161	3.818	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@@H](C)[C@H](C)C2)o1	767379611	KMNPTQYVRHDSFO-ZIAGYGMSSA-N	319.449	3.663	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)OC[C@H](C)CBr)cc1	770365080	KNLDVJRDKFIFKY-GFCCVEGCSA-N	313.235	3.847	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)o1	772654733	COBBGBPCANJXLG-UHFFFAOYSA-N	313.140	3.546	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)O[C@@H](C#N)C2CCCCC2)cc1	776360485	ALPPKIRHKXCGFW-QMJOVRGKSA-N	324.380	3.618	50	20	DHGD	
Cc1ccc(-n2c(C)ccc2C)c(C(=O)NNc2ccccn2)c1	777469195	CJRXEPLNGWGSLX-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
O=C(NN=Cc1ccc(Oc2ccccc2)o1)c1ccc(O)cc1	779753556	QXPGNTDVNKJLBL-UHFFFAOYSA-N	322.320	3.541	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(F)cc2O)cc1	780804804	KHWZDWZYSZUGQU-UHFFFAOYSA-N	302.349	3.586	50	20	DHGD	
CSSCCNC(=S)Nc1ccc(OC(C)C)cc1	789326219	WELCZKIWGNQRGT-UHFFFAOYSA-N	316.517	3.771	50	20	DHGD	
CSSCCNC(=O)c1cccc(Oc2ccncc2)c1	791155954	BARVTCRQGHKPRU-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3ccnn3C(C)C)n2)cc1	794871981	GRCBKIUVAJVWTM-GDNBJRDFSA-N	319.368	3.887	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(O)c1F)c1cnc2ccccc2n1	794942689	DNMCJOCGCMGDOU-JXMROGBWSA-N	309.275	3.678	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(Cl)nc(Cl)n1C	794954153	PWAOPMPROIDZHO-SOFGYWHQSA-N	300.189	3.639	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C(C)(C)c2c(C)noc2C)c(C)c1	797746297	TYLNJWVRZBHALR-UHFFFAOYSA-N	315.417	3.638	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1ccc(F)cc1C	797949164	IROSKFAMIDPIAP-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CCC1CCCC1	798143053	WUOKPICWZKZKJT-UHFFFAOYSA-N	310.829	3.667	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3nccc(C)c3c2)c1	802827314	UPZIRTMNAXQFJM-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
Cc1cc(O)nc(/C=C/c2ccc(OCCCCl)cc2)n1	811690553	DQYLIFRZSWKWMN-VMPITWQZSA-N	304.777	3.669	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1Cl	812244470	BQCOHOLUBQNWAV-WDZFZDKYSA-N	315.716	3.716	50	20	DHGD	
C/C(C=NNC(=O)Nc1ccc2c(c1)OCO2)=C\c1ccccc1	814992496	KSUGFOWDUQFLBR-XNZLLJBKSA-N	323.352	3.626	50	20	DHGD	
O=C(C[C@H]1C=CCCC1)NNc1cc(Cl)nc(Cl)c1	819747366	OMNIDCBQNIOHGB-VIFPVBQESA-N	300.189	3.578	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccccc2-c2nn[nH]n2)n1	824352837	PTBSQAFLLBEEMC-GHXNOFRVSA-N	322.397	3.511	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@H]1CCC[C@@H]1c1ccccc1	827516107	MFUKJAIPIOTHNO-CABCVRRESA-N	320.396	3.590	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1cn(C)nc1-c1ccc(F)cc1	834421694	SYRFKSXKAHAZPF-ZROIWOOFSA-N	311.360	3.748	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2nnc(C(C)C)s2)cc1	837059321	RPSWJBTZQLGJOL-UHFFFAOYSA-N	304.419	3.542	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H]2CCO[C@@H](C(C)C)C2)cc1	838533556	JKBDPWIORPKGPQ-IAGOWNOFSA-N	319.449	3.640	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(Cl)s1	839400191	MISZJTLMTOVFNM-UHFFFAOYSA-N	313.209	3.748	50	20	DHGD	
C[C@H]1C[C@@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)CS1	840413813	LBQRAXDLQOKLII-WRWORJQWSA-N	320.245	3.514	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2ccnn2CC(C)C)ccc1[N+](=O)[O-]	843268930	OLZYVJPBYMDIQX-OQLLNIDSSA-N	310.357	3.820	50	20	DHGD	
C[C@@H](OCC1CC1)C(=O)NNc1ccccc1Cc1ccccc1	846463847	HSMTYXABVIKJIS-OAHLLOKOSA-N	324.424	3.536	50	20	DHGD	
CN1Cc2cc(OCCO[Si](C)(C)C(C)(C)C)ccc2C1=O	853681912	IRVJIMOGWLVMGJ-UHFFFAOYSA-N	321.493	3.673	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCC[C@H](C(F)(F)F)C1	856094968	BUITVAZMHPXLGB-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
Cc1cccc(NNC(=O)C2CCC(c3ccccc3)CC2)n1	862522339	QPUDBYPRWGSHES-UHFFFAOYSA-N	309.413	3.807	50	20	DHGD	
C[C@H]1CCCCN1NC(=O)CCCC[C@@H]1CCSS1	912155840	ILRWFTYJHJWSAH-QWHCGFSZSA-N	302.509	3.606	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2ccc(Cl)c(C)c2)cs1	928341243	UEZGXHNLSKPKSW-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)c1n[nH]c2c1CCCC2	1318462719	JDBQZPBIQGTJKM-UHFFFAOYSA-N	316.449	3.755	50	20	DHGD	
CC(C)(C)[C@@H]1C[C@@H](NC(=O)c2cccc(CCl)c2)CCO1	1335836658	GSTOJTOKIDGUOE-GJZGRUSLSA-N	309.837	3.749	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1cccn1-c1ccc([N+](=O)[O-])cc1	7918757	JEEXOIFEXOZGPG-ACCUITESSA-N	323.352	3.908	50	20	DHGD	
CSC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	75363964	UJQBCYNHBMJWIG-NSHDSACASA-N	307.550	3.958	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1ccc(OC(F)(F)F)cc1	134251914	DQFCKGKYQDMXPX-UHFFFAOYSA-N	324.302	3.579	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2Cc3ccccc3C2)cc1	171713697	UQUVWNKGSLFIKC-WOJGMQOQSA-N	318.376	3.535	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	172692621	RMTFBVUXIJXGRD-HBZGRHIISA-N	301.777	3.900	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OCCC)cc1	206306984	GDRLJTPEISQFRQ-SSZFMOIBSA-N	300.402	3.689	50	20	DHGD	
CCCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	491130321	ILSAYFIOTPHJAZ-NTCAYCPXSA-N	322.364	3.727	50	20	DHGD	
COC(=O)N(C)N=C(C)c1sc(-c2ccccc2F)nc1C	495722545	VJYRDKWZXUXXBQ-UHFFFAOYSA-N	321.377	3.680	50	20	DHGD	
C/C=C\COc1ccc(CCC(C)=NN(C)C(=O)OC)cc1	495748758	USEFEFHIPHWMIN-YQHATTDKSA-N	304.390	3.648	50	20	DHGD	
O=C(NCCCCCc1ccccc1)NNc1ccc(F)cc1	727942994	SKWXFCZOECOVPD-UHFFFAOYSA-N	315.392	3.865	50	20	DHGD	
CC[C@H](CC(=O)NNC(=O)c1ccccc1C)c1ccc(C)cc1	737774037	SDMIJUJFFGKHEF-MRXNPFEDSA-N	324.424	3.648	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNC(=O)c1ccncc1	742462583	HHUPSGXEAZVYJD-SFHVURJKSA-N	319.449	3.619	50	20	DHGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	745887708	DEOCRSBWDYTBLJ-MNOVXSKESA-N	315.364	3.739	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCc2c(C)cccc2F)c(C)c1	745890794	LPSAWICZMQALLV-UHFFFAOYSA-N	315.392	3.886	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1ccc(OC(F)(F)F)cc1	749449810	LWKFHGRNMJVFCK-UHFFFAOYSA-N	314.307	3.616	50	20	DHGD	
CC(C)C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752489307	LCUYZYFNBYSFCJ-BMANGOCTSA-N	300.377	3.627	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C1(CC)COC1	755147659	DJNHTQFAIQIWBC-UHFFFAOYSA-N	318.442	3.750	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)CC1(C)C	760132657	DYBADWHFOQDGDT-NWFCWYBLSA-N	300.377	3.627	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc(-c3cccnc3)s2)c1	762003032	NKLYNUJDGSZPAI-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)c2ccccn2)c(Cl)c1	763338182	IRWYINDMGUIYEV-UHFFFAOYSA-N	319.817	3.611	50	20	DHGD	
C[C@H]1CCC[C@@H]1CC(=O)NNc1ccc([N+](=O)[O-])cc1Cl	769605138	IYHKTKXYGSVXHM-VHSXEESVSA-N	311.769	3.518	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNc1ncc(Cl)cc1Cl	775266390	QXDYWLCQCSCYDP-VIFPVBQESA-N	304.221	3.904	50	20	DHGD	
Cc1cc(COC(=O)[C@@H](Br)C(C)(C)C)ccc1C#N	784734041	YCNAWYLDOYBJGM-CYBMUJFWSA-N	324.218	3.720	50	20	DHGD	
CO[C@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)C1CC1	791442293	FQKIOLDSSMIIOR-NSHDSACASA-N	323.607	3.515	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](F)CC1CCCCC1	796206698	ROOKGGNWSQFTAK-CMPLNLGQSA-N	309.219	3.869	50	20	DHGD	
C=CC[C@@H](CC)NC(=O)NNc1ccccc1OC(F)(F)F	798497450	ODYZFHYYQXEPNL-SNVBAGLBSA-N	317.311	3.566	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)c1cccc(C2CCC2)c1	798994134	YKFUXYLHADFZFI-UHFFFAOYSA-N	318.380	3.654	50	20	DHGD	
N#C/C(=C\c1cccc(CCl)c1)C(=O)NC1CCCCC1	799888678	IKLATUQSEZEJKZ-XNTDXEJSSA-N	302.805	3.781	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@@H]32)c1	802832143	HHHVTKZVEHDIFG-AFAVFJNCSA-N	320.408	3.884	50	20	DHGD	
COCC1(CNC(=O)NNc2c(C)cccc2C(C)C)CCC1	813158185	PCGFTETWQOXYHY-UHFFFAOYSA-N	319.449	3.561	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(Br)cc1C	815856151	YKCJDTNQQYERGL-UHFFFAOYSA-N	311.223	3.803	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2cccc(Cl)n2)c1	817008761	GSYACXKRGTUFNS-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccccc1OC(F)(F)F	819501895	BVSLVMQXTWGMOV-UHFFFAOYSA-N	302.296	3.631	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747064	JSHZTGAAEONZEF-HXOPTJOXSA-N	300.189	3.578	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@]1(C)CC1(Cl)Cl	828765829	HXPJKGNXFQREQB-GFCCVEGCSA-N	305.180	3.551	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cc(OC)c2ccccc2c1	834400221	BFJVLIMQMPDBDF-LFIBNONCSA-N	308.381	3.672	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1cccc(Br)n1	837210362	LVVXLGCWCZHBHP-JTQLQIEISA-N	314.227	3.504	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)OCCO2)c1nc(C2CC2)cs1	843264834	KMYSFKDFAPTLLE-NTUHNPAUSA-N	310.378	3.856	50	20	DHGD	
O=C(NN=C1CCC(=C2CCC2)CC1)c1ccc2c(c1)OCO2	853261049	BWGBPMWQLJUGIY-UHFFFAOYSA-N	312.369	3.556	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NCC(Cl)Cl)c(F)c1	878504523	KZOOJMKPCFVPRS-UHFFFAOYSA-N	309.168	3.538	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2ccc(Cl)cc2F)C1	901194948	RUOSQQDLXRZBTQ-NSHDSACASA-N	314.813	3.871	50	20	DHGD	
C[C@H](NC(=O)[C@@]1(C)C[C@H]1Br)c1cc2ccccc2o1	907644091	KWHSBFMJWFXZHH-RJIBLYRGSA-N	322.202	3.784	50	20	DHGD	
Cc1ccc(NNC(=O)COc2ccc(C(C)C)c(C)c2)cc1	912593965	DBIVJBACLVOBPW-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
C[C@H]1CCC[C@@H](C)N1NC(=O)CCCC[C@@H]1CCSS1	920425694	SPIZBXMVTPWJRP-HZSPNIEDSA-N	316.536	3.995	50	20	DHGD	
CC(=O)CCCCCCC(=O)OC[C@@]1(C)C[C@H]1Br	1123142213	QFIUAGIIOUERTD-TZMCWYRMSA-N	319.239	3.633	50	20	DHGD	
C[C@@H](CN(C)C)[C@H]1CCCCN1C(=O)c1cccc(CCl)c1	1337298268	DTCWLBNZDKSSKX-WMLDXEAASA-N	322.880	3.618	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2F)ccc1F	1341112759	STABVHWKPNUFGZ-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(c2cccc(F)c2)CCC1	42678289	AYMOBHGFIANCCB-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1OC	44721039	PZQYATYFRPRREU-QPEQYQDCSA-N	300.383	3.923	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cccc(-c2ccoc2)c1	89828464	GLJDZMNCCOVHSL-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
CSc1ccsc1C(=O)NNc1ccnc2ccccc12	107353381	APAYLWYWURAVLG-UHFFFAOYSA-N	315.423	3.775	50	20	DHGD	
CSc1ccccc1NC(=O)c1c(C)nn(CCCl)c1C	114113184	UODWCDHPOWBKOX-UHFFFAOYSA-N	323.849	3.713	50	20	DHGD	
COc1cccc2cc(C(=O)NNc3ccc(Cl)cc3)oc12	120155574	FFMSJVALKQFMNL-UHFFFAOYSA-N	316.744	3.852	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1ccc(Cl)cc1	120261299	PUZKXLZAHBOQKL-CYBMUJFWSA-N	300.789	3.903	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2c(Cl)cccc2Cl)no1	121863576	IKUXGDJNICHKNJ-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
COc1ccc(C[C@@H](C)C(=O)NNc2cccc(Cl)c2)cc1	129228835	AJTYFBCUNFYARK-GFCCVEGCSA-N	318.804	3.671	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ccccc12)c1ccc(F)nc1	155259635	MJFMJTLTWXBPJX-UHFFFAOYSA-N	312.256	3.501	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1ccc2ccccc2n1	181142322	VJOCOCCMQXWFQZ-UHFFFAOYSA-N	305.381	3.701	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3ccc(F)cc3F)CCC2)cc1	181879537	LPRPBQFTGNFMPN-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2nccn2-c2ccccc2)cc1	191339314	RKPWRXJTQVPZIH-GHRIWEEISA-N	313.360	3.971	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccccc2)c2ccccc12	257354803	ZXLLWZJXDAKLKW-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1cccc(NC(C)=O)c1	293948499	ONHBYSGETUNCCK-OAHLLOKOSA-N	317.433	3.695	50	20	DHGD	
N#C[C@]1(C(=O)NNc2cccc(C(F)(F)F)c2)CC12CCCC2	295571053	ZYDIXKDGRDGENF-HNNXBMFYSA-N	323.318	3.623	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2csc(C3CC3)n2)c1	491135298	SVUYEBRHMPCBPU-OVCLIPMQSA-N	323.421	3.552	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cccc(C(=O)O)c2Cl)n1	588616463	DUXWODHJYNOBGM-YHYXMXQVSA-N	304.758	3.867	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)CCc1cccc(C)c1	731487737	AFHHNHIANALUHQ-UHFFFAOYSA-N	310.397	3.742	50	20	DHGD	
O=C(NN=Cc1c(OC(F)F)ccc2ccccc12)C1CCC1	731932919	HIPNSDMCYQJWGV-UHFFFAOYSA-N	318.323	3.691	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CSc2ccc(F)cc2)c(C)c1	743763738	RNMHFMVNDSYOBE-UHFFFAOYSA-N	318.417	3.986	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2cc(F)ccc2[nH]1	746695801	QQDRORZQXWKOLX-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
CCCCCCCOc1cccc(C=NNC(=O)N(C)C)c1	747614203	HMSCRGSOLYQOKO-UHFFFAOYSA-N	305.422	3.641	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2C[C@@H](C)C[C@H](C)C2)cc1OC	747741043	MASAZOMEYHZWCJ-STQMWFEESA-N	318.417	3.636	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccnc1C1CC1	752626028	FRIZNKZXIPJWMK-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756769242	TYNVUBXNRIMFRG-RRFJBIMHSA-N	324.428	3.679	50	20	DHGD	
O=C(NC[C@@H]1CCCS1)NNc1cc(Cl)ccc1Cl	757253090	BFDFBLHZWYAIEQ-VIFPVBQESA-N	320.245	3.515	50	20	DHGD	
COCCOC(=O)/C(C#N)=C\c1cccc(-c2ccc(C)cc2)c1	757528227	WGNSJCKCARSKSC-UYRXBGFRSA-N	321.376	3.759	50	20	DHGD	
CCCN(Cc1ccc(OC)cc1)C[C@@H](C)CBr	770648569	RXCDPSDICWESLK-ZDUSSCGKSA-N	314.267	3.938	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1c(Cl)cccc1Cl	773447121	GILQQXJUZVEPGG-MRVPVSSYSA-N	307.246	3.968	50	20	DHGD	
C=C(C)CNC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	779068815	DGBRODFPBYQFHX-VCHYOVAHSA-N	313.445	3.750	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2cc[nH]c2n1	779535278	AXDGTJTXCDZODY-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CSSCCNC(=O)N1CC(C)(C)[C@H]1c1ccccc1	790880034	GPFCLKWNDMPLDH-CYBMUJFWSA-N	310.488	3.790	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(C2CC2)on1	791719282	VBJSDPWAGCRHMT-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CCSCc1cccc(NC(=O)NNc2ncccc2C)c1	792313319	ITCWCWNMUWRNJF-UHFFFAOYSA-N	316.430	3.792	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cncc(F)c1	795388494	VKMNCUOCKFUAMH-CYBMUJFWSA-N	315.435	3.978	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	802822767	DIVDTKCMCLOIOK-VBNZEHGJSA-N	317.389	3.644	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3ccc(F)cc3)c2c1	814888687	LEUUYIPKMPULOZ-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
Cc1nc(-c2ccccc2)c(C(=O)NCC(Cl)Cl)s1	816604860	AHWXYFXPROULGV-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCC[C@@H](C(F)(F)F)C1	817011026	CJXWOTJRXRBLGV-DTWKUNHWSA-N	321.730	3.547	50	20	DHGD	
CCOc1ccc(NNC(=O)C(C)(C)c2ccccc2C)cc1	817886081	VSPRXUIWOOTGHY-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
O=C(C[C@@H]1CC[C@@H]2C[C@@H]12)NNc1ccnc2cc(Cl)ccc12	824012265	TUCTXWODXKQTLA-UHIISALHSA-N	315.804	3.768	50	20	DHGD	
CC1(C(=O)NNc2ccc(Cl)cc2Cl)CCC(=O)CC1	827506681	XQZFODXYTNUIJZ-UHFFFAOYSA-N	315.200	3.586	50	20	DHGD	
O=C(NNc1cccc2cnccc12)C1[C@H]2CCCCCC[C@H]12	830813893	UEIOSVAJQDLTAF-HOTGVXAUSA-N	309.413	3.894	50	20	DHGD	
Cc1cccnc1NNC(=O)C1(Cc2cccc(Cl)c2)CC1	830977344	RAJWBYOATWRPRO-UHFFFAOYSA-N	315.804	3.509	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@H](C)c1c(C)noc1C	836932581	BPCRXBCBMZYPIS-JTQLQIEISA-N	321.808	3.890	50	20	DHGD	
CCC[C@H](NC(=O)NNc1ncc(F)cc1F)c1ccccc1	837366030	SAQMDCLKQLFJAM-AWEZNQCLSA-N	320.343	3.527	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccc(C)o1)O[C@@H](C)C2	840723582	XWNKTTZNQOEYBP-CUTJPZLCSA-N	323.348	3.710	50	20	DHGD	
Cc1nccc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	844335201	CBYLOVDMIKQYEZ-INIZCTEOSA-N	321.541	3.771	50	20	DHGD	
Cc1ncc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cn1	844335620	GYOYZZGELYHTDL-MRXNPFEDSA-N	321.541	3.771	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	853277044	KWIDNOGKAUEQPN-NSHDSACASA-N	317.458	3.918	50	20	DHGD	
BrC[C@@H](CN1CCCc2sccc2C1)C1CC1	859130249	FALHNQWSZFFQLX-ZDUSSCGKSA-N	314.292	3.917	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)cc1F	885106718	GHGKQJKNLYAGFC-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
Cc1cccnc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912581545	HDKXEGVWFKISFJ-AWEZNQCLSA-N	320.509	3.626	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@H](C)c1ccncc1	928339415	GCMFDGUDJQBKBR-NSHDSACASA-N	303.793	3.680	50	20	DHGD	
CC(C)(C)c1ccc(C2(C(=O)N3CC=C(C#N)CC3)CC2)cc1	1116515761	QQTVCDIPLNWJAH-UHFFFAOYSA-N	308.425	3.698	50	20	DHGD	
COc1ccccc1C1(NC[C@@H](C)CBr)CCC1	1338204335	PYFIXGJBQXEBBE-LBPRGKRZSA-N	312.251	3.695	50	20	DHGD	
Cc1ccc(-n2cccn2)cc1NC(=O)C1CCC(Cl)CC1	1548690379	AFVVWPQZRLLGDO-UHFFFAOYSA-N	317.820	3.917	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1Cl	4814115	KWIDMFBACUZLTF-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1	7156187	JJANLZUPCYUSGJ-YRNVUSSQSA-N	302.255	3.650	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1OC	44028501	VVSGCYRXWVMYRW-JYRVWZFOSA-N	313.378	3.864	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2c[nH]nc2C(C)(C)C)c1	63275937	QHWPWNDSPMBSJZ-UKTHLTGXSA-N	308.385	3.561	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNc1cccnc1Cl	85684241	GENMZLUCKQAHNB-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccc(-c3ccccc3F)o2)c1	88423914	MEZNKURRCKERFP-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2ccccc2Cl)c1	120805197	ICGYCLWMUPUJPW-UHFFFAOYSA-N	304.777	3.561	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C1=CCCCC1	154650815	BFZGERJCZXIQBN-UHFFFAOYSA-N	317.458	3.628	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cnc(-c2ccco2)s1	178975973	HPOIXZWKPJPJCX-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1cc2cc(C)c(C)cc2o1	191755497	HLCHIKMWFXSRQD-DHDCSXOGSA-N	303.383	3.739	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1ccc(Cl)cc1Cl	191761413	LQLMFGIOLNBROF-IZZDOVSWSA-N	304.198	3.683	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc1F	212599684	ACBZZAAIUSMASG-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C2CCCC2)c1C	302865996	OZFKHEKCDFRGDB-ATVHPVEESA-N	313.445	3.823	50	20	DHGD	
CC(C)(C)n1cc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)nn1	588581167	PHGBVBDEMHNICK-JYRVWZFOSA-N	320.352	3.569	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)o1)c1ccc[nH]1	725854049	CISBPJMNSIGDMI-UHFFFAOYSA-N	313.744	3.692	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cccc(F)c2F)cc1	730732926	RMCSCBQBKGITEK-ZROIWOOFSA-N	319.332	3.612	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1ccc(OC)cc1	746882883	IMHBRXWFYXUBTE-UHFFFAOYSA-N	302.399	3.564	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H](c2ccco2)C1	750045628	UVBMCXZZVMYUDH-RABFGMAYSA-N	309.325	3.542	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2cccc(F)c2)s1	750892627	IVICIQIKXKTNRR-JLHYYAGUSA-N	314.385	3.987	50	20	DHGD	
CC(=O)c1cccc(COC(=O)/C(C#N)=C\c2ccc(C)cc2)c1	755109463	KBCAZYMLXKWQAD-GRSHGNNSSA-N	319.360	3.848	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C[C@H]1C[C@H]1c1ccccc1	755564268	SBWVEGDLDPWREX-QAPCUYQASA-N	317.392	3.616	50	20	DHGD	
Cc1ccnc(NNC(=O)CCc2ccc(C(C)(C)C)cc2)c1	755844063	ODQXTMRKWHSTMC-UHFFFAOYSA-N	311.429	3.763	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNC(=S)Nc1ccc(C)cc1C	761359112	AOGNWNATBQJIEW-ZDUSSCGKSA-N	321.490	3.693	50	20	DHGD	
N#C/C(=C/c1ccccc1OC(F)(F)F)C(=O)c1ccco1	767917095	NWPYHZSWUZJAFH-FLIBITNWSA-N	307.227	3.968	50	20	DHGD	
Cc1cc(Cl)ccc1NC(=O)NNc1nccnc1C(C)C	770076700	WDFYCLLYYRQQPI-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	772823422	NHDLABLOTIPHIJ-RBSFLKMASA-N	316.449	3.650	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C[C@H](C)c1ccncc1	777481642	NOZKTOMPXMUXKJ-ZDUSSCGKSA-N	320.396	3.575	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)[C@]1(C)CCCO1	782222355	WUFLLPFKDUKMJE-AWEZNQCLSA-N	315.200	3.668	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@H]2C1	786780941	PFMHLGNHMYEXNF-NOPTZHBWSA-N	324.424	3.774	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2scc(C)c2Cl)c1	790808100	FIWKJDJPQWDCFO-UHFFFAOYSA-N	314.769	3.615	50	20	DHGD	
CSSCCNC(=O)N[C@@H](c1ccccc1C)C1CC1	790880180	RMQRFGZHFFROIP-CQSZACIVSA-N	310.488	3.757	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/C=C/c1ccc(F)cc1F	792635314	FWIPNRRDSXKNBX-GQLYJEGOSA-N	311.353	3.600	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H](O)CC[C@H](C)CC	799759644	VCZKZLMRNKOTMQ-CZUORRHYSA-N	306.450	3.578	50	20	DHGD	
CCOC(=O)NN=C/C(C)=C/c1ccccc1C(F)(F)F	799864588	IJQPCHPYOOXGLI-VPBCOVHZSA-N	300.280	3.841	50	20	DHGD	
Cc1cc(C(F)(F)F)ncc1NC(=O)NNc1ccccc1	810266615	RMJSEJCBHSIMLF-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@@H]1CCCSC1	811448070	SIBZHORZWCZUDR-MRVPVSSYSA-N	305.230	3.580	50	20	DHGD	
CC(=NNC(=O)N(C)C)c1ccc(-c2c(F)cccc2F)cc1	811640611	WEEQDNFEFREPBS-UHFFFAOYSA-N	317.339	3.627	50	20	DHGD	
COC(=O)c1cc(NNC(=O)C2CCCCCCC2)ccc1C	816688981	OQDDHRKEXONFJT-UHFFFAOYSA-N	318.417	3.585	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3c(F)cccc3F)CCC2)c1	817708674	BIUVUVOSNVTYHS-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CCC[C@H]1c1ccccc1	830609332	DBBAWTYAUWHAJN-HOTGVXAUSA-N	324.428	3.627	50	20	DHGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNCc1ccc(OCCCCl)cc1	840964618	SPLBVRAIVORFRA-IJEWVQPXSA-N	311.853	3.597	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@@H]4C[C@H]34)n[nH]2)c1	841630772	SZQFMRBCFAXTEW-HIFRSBDPSA-N	322.412	3.599	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1cccc(C)c1)CCC2	848371471	WJDRHHUAJIMVNE-KRWDZBQOSA-N	310.397	3.567	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849177584	ACRFOCYNRPSFQO-QIPHDZALSA-N	313.397	3.767	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)C12CC3CC(CC(C3)C1)C2	853431661	HCHWETXMLLZMNR-UHFFFAOYSA-N	318.339	3.867	50	20	DHGD	
CCc1cnc(CN(C)C[C@@H](CBr)C2CC2)s1	859154311	BXPIWFGSHAWWIL-LLVKDONJSA-N	317.296	3.558	50	20	DHGD	
COc1ccc([C@H](C)NC[C@H](CBr)C2CC2)cc1	859225778	FBZKMUPSWLUBHB-FZMZJTMJSA-N	312.251	3.767	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@H](C)c1cnc(C)s1	876015301	XWAVIAIQNKCNRF-LLVKDONJSA-N	318.446	3.710	50	20	DHGD	
Cc1ccc(CCCNC(=O)NNc2ccc(F)cc2)c(C)c1	915932752	ZLLWXQOXHYPVLA-UHFFFAOYSA-N	315.392	3.701	50	20	DHGD	
CCCC1CCC(=NNC(=O)c2cccc(N(C)C)c2)CC1	916281127	RDRJZKBTWPLMLR-UHFFFAOYSA-N	301.434	3.829	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1ccccc1Cl	916351373	JKSIUHKOJSELPZ-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@@H]1CCC[C@H](F)C1	1261454358	GLIJETLCZKINBP-VHSXEESVSA-N	319.302	3.612	50	20	DHGD	
CC(C)C(=NNC(=O)c1n[nH]c2c1CCCC2)C1CCCCC1	1318501123	SRAQTCZXKOUQAX-UHFFFAOYSA-N	316.449	3.611	50	20	DHGD	
COc1ccc(NNC(=O)Nc2c(C)cc(Cl)cc2C)nc1	1325985540	NGUWTWLGWBQZOE-UHFFFAOYSA-N	320.780	3.509	50	20	DHGD	
COC1CCC(CCNC(=O)c2cccc(CCl)c2)CC1	1335860620	CRCBHIYUGCOFBK-UHFFFAOYSA-N	309.837	3.751	50	20	DHGD	
O=C(N[C@@H]1CCCc2cccnc21)c1cccc(CCl)c1	1339172324	WGWLXTPKWYXOIP-OAHLLOKOSA-N	300.789	3.628	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)NCc1ccc(C)cc1	114991832	UNGYMMNRYBMHDA-PDGQHHTCSA-N	320.392	3.617	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)SCc2ccccc2)cc1	120876163	ZYGBRSPBVQCWME-CQSZACIVSA-N	300.427	3.760	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(C(F)(F)F)nc1	122349088	FIKVIYIPCPPVNF-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)c(C)s1	123090032	PRFMZLCQZVYTAH-UHFFFAOYSA-N	312.341	3.723	50	20	DHGD	
Cc1cccc(C(=O)NNc2cc(C(F)(F)F)ccc2F)c1	128634502	MXQRQCADNWHUBK-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1ncccc1Cl	131775150	LOXSOBWBEACDQG-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccccc2)s1	151247651	IITWOFTUWPDEKJ-MDZDMXLPSA-N	301.415	3.597	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc(OCC2CC2)cc1	158367706	MMAKFOIQRRPHLX-UHFFFAOYSA-N	316.788	3.886	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)CSc2c(F)cccc21	171540101	SRYVMEBMGXUVIQ-WDZFZDKYSA-N	322.792	3.633	50	20	DHGD	
O=C(NNc1ccc(Br)cc1)Nc1ccc(F)cc1	178622410	VSZVTUUZVKMKMI-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2cc(C)cc(C)c2)cc1C	180364007	HFVZTSIANLTEEK-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1cccc(C#N)c1)c1ccccc1	188573701	XOHXZGIXYMJCCB-GQEMFKIVSA-N	315.376	3.733	50	20	DHGD	
CCC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	210883514	OIALNFXWTKGKCP-LYDJUCFBSA-N	320.392	3.957	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1	255500393	NJFQTIMUQXJHNI-RVDMUPIBSA-N	307.374	3.858	50	20	DHGD	
N#CC1=CCN(C(=O)C2(c3cccc(Cl)c3)CCCC2)CC1	270998863	YBHMKPWVHFVETF-UHFFFAOYSA-N	314.816	3.834	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(CC#N)cc1	272594478	JDFPZXYNELZLFT-LBPRGKRZSA-N	309.207	3.501	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)c(-c2cnn(C)c2)c1	295941459	OFNHZZACBGULAP-RIYZIHGNSA-N	311.360	3.620	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)/C=C/c1cnn(CCCl)c1	728699217	RWLCDEZBSUEFNK-VOTSOKGWSA-N	313.788	3.808	50	20	DHGD	
COc1ccccc1C[C@@H](C)CC(=O)NNc1ccc(F)cc1	730521801	KWARUIFAQHWVIC-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
N#C/C(=C/c1ccoc1C(=O)O)c1nc2cc(F)ccc2s1	739062500	QXSJITTVAITDDA-UITAMQMPSA-N	314.297	3.791	50	20	DHGD	
C#C[C@@H](C)OC(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	744181848	YMPUGISMWAUGBF-JQFNYASXSA-N	312.413	3.623	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CCNC(=O)NNc1ccc(Cl)nc1	745820203	MWKPCGAGAJKVAX-VXGBXAGGSA-N	310.829	3.578	50	20	DHGD	
CCc1ccccc1CNC(=O)/C(C#N)=C\c1ccc(F)cc1	752437248	DJWPYVORRMHCQY-BOPFTXTBSA-N	308.356	3.611	50	20	DHGD	
Cc1cccc(OCC(=O)NN=Cc2cc3ccccc3s2)c1	758368192	VHCSJSUOSQHAEF-UHFFFAOYSA-N	324.405	3.739	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@@H]1CCCOC1	766298689	MVMWVZIFHOHGRG-CHWSQXEVSA-N	304.477	3.670	50	20	DHGD	
C[C@@H](CBr)COC(=O)C(C)(C)c1cccc(F)c1	770377012	ZZTFFPINWDVNRX-JTQLQIEISA-N	317.198	3.678	50	20	DHGD	
CN(N=C1CCC[C@@H]1c1ccc(Cl)c(Cl)c1)C(N)=O	776187298	MLLHFTYAWWPPME-SECBINFHSA-N	300.189	3.627	50	20	DHGD	
Cn1c(/C(C#N)=C/c2ccc([N+](=O)[O-])cc2F)nc2ccccc21	777870756	WEOIQFGOKCEBBV-XYOKQWHBSA-N	322.299	3.685	50	20	DHGD	
Cc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)c(F)c1	781071067	QKWCEVJMUJODDE-LLVKDONJSA-N	302.187	3.882	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@H](C)C[C@H]2C)cc1	783831412	KQTKRPJWZPZHGF-UONOGXRCSA-N	302.418	3.556	50	20	DHGD	
CCOC[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)C(C)C	788878627	XYGQQKWBVTYPEK-INIZCTEOSA-N	321.465	3.671	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC2(C)C)cc1	788953961	GYDFUXRIVUYWHI-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
CC[C@@H](NC(=O)NCCSSC)c1cc(F)ccc1F	790881229	VQFPTFJQVGDTAB-GFCCVEGCSA-N	320.430	3.726	50	20	DHGD	
Cc1cccnc1NNC(=O)/C=C\c1ccc(C(C)(C)C)cc1	791225900	UKHGXDMYZJOMRF-XFXZXTDPSA-N	309.413	3.844	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc3oc(C)nc23)c(C)c1	792259489	PHMRNLWLHNMNKQ-UHFFFAOYSA-N	309.369	3.818	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3nccc4sccc34)ccc2o1	792639598	SEMQMCDGWGXCOE-UHFFFAOYSA-N	324.365	3.503	50	20	DHGD	
CCC(=NNC(=O)c1cccc(C)n1)c1ccc(Cl)s1	794566800	IBXHFTCJRVDEJX-UHFFFAOYSA-N	307.806	3.649	50	20	DHGD	
N#C/C(=C\c1cnc2ccccn12)C(=O)c1ccc2ncccc2c1	794965361	RCJILXVJRHTWLY-LFIBNONCSA-N	324.343	3.672	50	20	DHGD	
CC(C)c1occc1C(=O)NNC(=O)c1ccc2ccccc2c1	794974497	SWULYLQNSRDAEZ-UHFFFAOYSA-N	322.364	3.631	50	20	DHGD	
C=C(CBr)COC(=O)CCCc1ccsc1	795582653	LYUVNACXMRAWGI-UHFFFAOYSA-N	303.221	3.565	50	20	DHGD	
COC(=O)c1occc1/C=C(/C#N)c1ncc(C(C)(C)C)s1	797398130	DZQJQGFEWGAKEM-XFFZJAGNSA-N	316.382	3.884	50	20	DHGD	
Cc1cccc(NNC(=O)c2cscc2Br)c1	806398694	QAWFYIJPLGSEJP-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
CCC(C=NNC(=O)c1ccc(OC)c(OC)c1)(CC)CC	814699555	HRWVZSHTBGPZDF-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
C[C@@H](C=NNC(=O)CNc1ccccc1F)C1CCCCC1	814713641	SOBKYTGZYKCCFU-ZDUSSCGKSA-N	305.397	3.556	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccccc1C#N)c1ccccc1	814845765	VCBOWBWNXNGCKC-KRWDZBQOSA-N	305.381	3.592	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccc(F)cc2)CCC1	816629704	XYQYEJOJAKZUBU-UHFFFAOYSA-N	304.192	3.510	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816702520	QNXQODZIYCLTCL-JTQLQIEISA-N	318.339	3.983	50	20	DHGD	
Cc1cc(OC(=O)C[C@]2(C)CC2(Cl)Cl)ccc1[N+](=O)[O-]	835071441	YSCKZDKOHRJJNR-GFCCVEGCSA-N	318.156	3.783	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(F)c(C(=O)OC)c1	837035693	ADQOFCYSTHPIMJ-UHFFFAOYSA-N	324.396	3.662	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1cccc(Cl)c1Cl	838350806	ZNLUYGNJARXQKC-UHFFFAOYSA-N	301.095	3.779	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(C(F)(F)F)ccn2)c(C)s1	857514521	POZHNDKSAQBOLR-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NN[C@@H](C)C(F)(F)F)cc1	862313363	GAQMLXLAJWBODI-NEPJUHHUSA-N	316.367	3.875	50	20	DHGD	
CCCn1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)nn1	865219272	XPUKSPBCGPOSGI-RVDMUPIBSA-N	322.412	3.775	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	868373834	VSJJALXPOKQATD-SFYZADRCSA-N	306.155	3.617	50	20	DHGD	
CCC(=NNC(=O)C(C)(C)C)c1cc(Cl)cc(Cl)c1O	915966630	LEMZKNCCNISBCH-UHFFFAOYSA-N	317.216	3.975	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(F)cc1	915975330	AZJROJSWELMLAM-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
Cc1cc(NNC(=O)c2ccnc(C3CC3)c2)ccc1Cl	928340399	YEUVLHOEFHPBJQ-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
CSCC1CCC(NC(=O)C2CCC(Cl)CC2)CC1	1123897206	ZZKSAHTZFBUKSV-UHFFFAOYSA-N	303.899	3.822	50	20	DHGD	
Cc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)cc1C	1317903738	PDXXLPWKVZMGQD-GDNBJRDFSA-N	300.365	3.893	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1ccc(Br)cc1	1330304274	DMNAHXMKATVFJM-ZDUSSCGKSA-N	321.218	3.745	50	20	DHGD	
O=C(Nc1cnn([C@H]2CCCCO2)c1)c1cccc(CCl)c1	1347191135	PYDAYYSOLVCZTR-OAHLLOKOSA-N	319.792	3.573	50	20	DHGD	
Cc1ccnc([C@H]2CCN(C(=O)C3CCC(Cl)CC3)C2)c1	1548716699	ZKRMDAMXLAOVJL-SLTAFYQDSA-N	306.837	3.504	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1C[C@@H]1C1CC1	124499419	WPTWRBNSASYBRA-RKDXNWHRSA-N	303.164	3.622	50	20	DHGD	
CCO[C@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)C1	130419594	GQDFFPRVMWRPPN-UONOGXRCSA-N	317.520	3.728	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@@H]1c1cccc(F)c1	133648906	JCOPMFPHNWYUBX-SMDDNHRTSA-N	300.215	3.994	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2cccc(F)c2)c1	154753462	GHHIWQKYYWPWRX-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
CSC[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	155259527	SQYKFTVUIIBNHC-SNVBAGLBSA-N	305.355	3.653	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2ccccc2OC(C)C)c1	158919870	LBJHVEMGEVLGEV-UHFFFAOYSA-N	312.413	3.776	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cccc2[nH]ccc12	159053747	AYGSEZVMAUURAN-UHFFFAOYSA-N	302.284	3.595	50	20	DHGD	
CCn1cc(C(=O)NNc2c(F)cccc2F)c2ccccc21	172445675	KTDMTURUWKCITO-UHFFFAOYSA-N	315.323	3.696	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2C#N)cc1	179319909	UJLGFTBOFDUMJO-BOPFTXTBSA-N	301.349	3.666	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cccc3nccn23)c1C	180313536	IDJDNCVSPLJOTD-RVDMUPIBSA-N	301.349	3.741	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])s2)c1	180697630	BSDSFPPWYKDBDV-DHZHZOJOSA-N	313.338	3.510	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1F	182250611	LUNMDQTYEJRXKQ-WQLSENKSSA-N	314.291	3.519	50	20	DHGD	
CN(CCc1cccs1)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	255832440	AHSZWWSPSRCBQF-PXNMLYILSA-N	313.382	3.695	50	20	DHGD	
CSSCCNC(=O)N1CCC(c2ccsc2)CC1	283808559	BYRJWEOINRTIBY-UHFFFAOYSA-N	316.517	3.648	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2cccc(F)n2)cc1	286349469	CQYOCVNGOCYIQF-UHFFFAOYSA-N	317.364	3.547	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cn2c(C)cc3ccccc32)c1	728057344	CGUVUFOYQCLQKW-UHFFFAOYSA-N	307.397	3.710	50	20	DHGD	
Cc1nn(-c2ccccc2)c(C)c1/C=C(/C#N)C(=O)c1ccco1	732577635	PTXSMCCLIQPFJA-PTNGSMBKSA-N	317.348	3.872	50	20	DHGD	
Cc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)cc1F	732927029	FBVBSSDHGFJAQF-UHFFFAOYSA-N	319.767	3.621	50	20	DHGD	
Cc1cc(OC(=O)c2c(C)[nH]c3ccccc23)ccc1[N+](=O)[O-]	733406953	NGUSTMGZZRDXSU-UHFFFAOYSA-N	310.309	3.912	50	20	DHGD	
CC(C)CCC[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734652970	WVXCCUQITLNYMN-JTQLQIEISA-N	317.355	3.945	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCCc2ccc(C)cc2)cc1	735396467	CZCYCUJAROMVHL-QGOAFFKASA-N	321.376	3.697	50	20	DHGD	
C[C@@H](Oc1ccc(F)cc1)C(=O)NN=C1CCC(C)(C)CC1	735972630	LQMASAOCXQGHTB-GFCCVEGCSA-N	306.381	3.665	50	20	DHGD	
Cc1cc(C)cc(CCNC(=O)NNc2ccccc2Cl)c1	741092243	AOTWEIBGDWTICD-UHFFFAOYSA-N	317.820	3.826	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)cc1	741851871	HFDBYHAEXCHZIA-WOJGMQOQSA-N	320.392	3.996	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)c1	747695601	MRFHRPWTQOBZBN-NYNUMMRSSA-N	322.339	3.936	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Cl)cc1Cl)C(F)(F)F	748019139	XNSPAUVDZRQZBJ-RXMQYKEDSA-N	301.095	3.635	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)CSc1nc(C)cc(C)n1	748245064	VFGJQUKJMADPRN-NSHDSACASA-N	322.478	3.504	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@H]1C[C@H]1C1CC1	753175189	ZUNQZCOKSXGNHW-STQMWFEESA-N	323.234	3.501	50	20	DHGD	
CCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OC(F)F	758915664	MNBDZIUEHNFKRB-GHXNOFRVSA-N	317.295	3.541	50	20	DHGD	
CCC[C@H](C(=O)NNc1ncccc1C(F)(F)F)C(C)C	764323050	OTEYXUQJXXVSMG-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)[C@H]2CCCC[C@H]12	768426479	BNCJPHAFMRLWGI-NDBYEHHHSA-N	316.283	3.833	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cscc2Cl)c1	771870601	DUGFUAZACCIWTB-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CCCc1csc(NC(=O)NNc2ccccc2Cl)n1	776481341	AHKLALDVESYGRT-UHFFFAOYSA-N	310.810	3.898	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ccccc1OC(F)(F)F	779209078	HTKLUJBETUQGIB-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1F	780671850	YGCVZUHIZWZPDZ-BDAKNGLRSA-N	306.303	3.970	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@H](C)[C@H]2C)cc1	781121712	DBTYRMAOAFLGSK-UONOGXRCSA-N	302.418	3.556	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](c2ccccc2)[C@H](C)C1	790880115	HFIMRYULMUCYPL-HIFRSBDPSA-N	324.515	3.833	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3c(F)cccc3Cl)ccc2o1	791717214	XGHBYMZWHDFIOD-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
CC(C)n1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)cn1	791734736	WCGUCNKJEGQWLV-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCC[C@@H](C(C)C)C2)c1	794471768	UUEVGCOOLPSJKZ-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccnc(Cl)c1	799407871	IMIXFURZTULVRN-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
CCC(C)(C)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802087426	VLIBBHWNRNOSCH-UHFFFAOYSA-N	318.204	3.582	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1coc2ccccc12	803722749	BUEOGKZKCRWZEF-JTQLQIEISA-N	311.175	3.550	50	20	DHGD	
CSc1cccc(NC(=O)NNc2cccc(Cl)n2)c1	814479572	MZUVFKLELPHUPL-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
CCC(=NNC(=O)[C@H](CC)c1ccccc1)c1cccc(N)c1	814845318	JUZIMCMZKSPDCT-QGZVFWFLSA-N	309.413	3.693	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCCC[C@@H]2C2CCCCC2)n[nH]1	814876237	OLCPUGSEBRSHAJ-CQSZACIVSA-N	302.422	3.574	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC(Cl)Cl	816604616	QKWPHKOGMWHFCF-MRVPVSSYSA-N	302.292	3.620	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cn(CC)c3ccccc23)cc1	817882563	SXPAFKKYRSIBTH-UHFFFAOYSA-N	323.396	3.817	50	20	DHGD	
CN(Cc1ccc(C(=O)O)cc1)/C(=C\C#N)c1ccc(F)cc1	833695849	ALPHJQVATJIFHO-YVLHZVERSA-N	310.328	3.520	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(C)cc1OC)c1ccccc1	834956681	BSBKTAHMWSBWQX-QGZVFWFLSA-N	310.397	3.648	50	20	DHGD	
CCCCCCO[C@@H](C)C(=O)NNc1ccc(C#N)c(Cl)c1	839726462	PIPRPPVNIFWCIC-LBPRGKRZSA-N	323.824	3.640	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2ncc[nH]2)CC1	844347295	VAWFKXIOAIFKQB-UHFFFAOYSA-N	309.530	3.644	50	20	DHGD	
O=C(CC[C@@H]1CCCO1)NNc1ccccc1Cc1ccccc1	846464628	QGJZZZUREVNSCY-SFHVURJKSA-N	324.424	3.680	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	848081249	PETBOCZTFYVHLX-SFYZADRCSA-N	306.155	3.617	50	20	DHGD	
CCc1c(C(=O)N(C)CC(Cl)Cl)cnn1C(CC)CC	848084075	GHRLZIWJSFYHLO-UHFFFAOYSA-N	320.264	3.682	50	20	DHGD	
Cc1nc(C)c([C@H](C)NC[C@@]2(C)C[C@H]2Br)s1	851927732	DYNSXGITFGBQPE-HNBZJPLGSA-N	303.269	3.584	50	20	DHGD	
O=C(NN=CC1CCSCC1)c1ccc(Cl)cc1Cl	853279552	TVBKVTDPARNJJI-UHFFFAOYSA-N	317.241	3.852	50	20	DHGD	
Cc1nc2c(s1)[C@H](NC[C@]1(C)C[C@@H]1Br)CCC2	857082357	MVXUDKPSZCMZBG-CDMKHQONSA-N	315.280	3.592	50	20	DHGD	
CC(C)c1ccccc1C(=O)NC[C@]1(C)C[C@H]1Br	857686589	AXEATAPFUPEZNI-HIFRSBDPSA-N	310.235	3.713	50	20	DHGD	
Cc1cc([C@@H]2CCCN2C[C@@H](CBr)C2CC2)on1	859079746	WMXPQVWEZYCGRT-OLZOCXBDSA-N	313.239	3.541	50	20	DHGD	
CC(=O)N(c1ccc(NC[C@@H]2[C@H](C)[C@@H]2Cl)cc1)[C@H]1C[C@H]1C	894645583	NZWXLKPUOUQFSE-VVKPGGIYSA-N	306.837	3.733	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)c1cccc(Cl)c1	916279288	UCPAXMDEDSIBOQ-UHFFFAOYSA-N	316.788	3.891	50	20	DHGD	
O=C(NN=C[C@@H]1CC=CCC1)c1ccc(Br)s1	916355839	YIHIBNZLYVLFAA-SECBINFHSA-N	313.220	3.583	50	20	DHGD	
Cc1c[nH]cc1C(=O)NN(Cc1ccccc1)c1ccccc1	916727734	IHLCMICAWGLRJO-UHFFFAOYSA-N	305.381	3.675	50	20	DHGD	
COc1cccc(C2(CNC(=O)C3CCC(Cl)CC3)CC2)c1	1263826128	BGSDJMVBCGHPEK-UHFFFAOYSA-N	321.848	3.641	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2ccc(C)c(Cl)c2)c1	1326044100	VQJRKQJYVFTVMT-UHFFFAOYSA-N	302.805	3.951	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC(OC2CCCC2)CC1	1336326994	UWOBJPLBTXJTLM-UHFFFAOYSA-N	321.848	3.989	50	20	DHGD	
Cc1ccc(C(=O)NNC(=O)c2ccc(C(C)(C)C)cc2)cc1C	6455205	FZUQMUWPUSKDNN-UHFFFAOYSA-N	324.424	3.676	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)c2ccc(-c3ccccc3)cc2)n1	11333957	RNJBAGSIUHEMNR-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1cnc(-c2ccccc2)s1	66255798	ACOWPZARARHKPF-UVTDQMKNSA-N	311.410	3.633	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccc(F)cc2)cc1Cl	91986029	TVRYKYFUKKUOII-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
O=C(CC[C@@H]1CCCCO1)NNc1c(Cl)cccc1Cl	133516320	JARNCJAFBRZOEA-JTQLQIEISA-N	317.216	3.786	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(C#N)cc1)c1ccc(OC)cc1	152778740	BVASVUGZXYZGQR-OAHLLOKOSA-N	323.396	3.594	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)ccc1O	154292860	JPQCVWFZVJTDSA-YBEGLDIGSA-N	307.349	3.889	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2csc(-c3ccoc3)n2)c1	158657566	JEASANWJRGFRJH-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
CCCn1ncc(C(=O)NNc2cc(C)ccc2C)c1C1CC1	158937308	DSRFXNSBDNIAOC-UHFFFAOYSA-N	312.417	3.544	50	20	DHGD	
Cc1ccc(C)c(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)c1	171982489	OOHOUBLXWKJEIK-RIYZIHGNSA-N	322.330	3.764	50	20	DHGD	
Cc1cccc(C)c1NCC(=O)NNc1cccc(Cl)c1	173032887	JIHZKJGKSCOSOX-UHFFFAOYSA-N	303.793	3.512	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(Oc2ccccc2)ccn1	174214021	NUXBGXBYQIFNBW-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1Cc1ccccc1	178951664	NRVFYNGCLSOPAN-SAPNQHFASA-N	306.365	3.660	50	20	DHGD	
C/C(=C\C(=O)NNc1ccc(F)cc1C)c1ccc(F)cc1	179013013	HJZGGQQDPHIVOM-ZHACJKMWSA-N	302.324	3.820	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1sccc1-c1ccccc1	182508482	BEWMLVQNDBPPPL-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc2c1CCC2	194369533	MVYFMNOPIUIHLP-UHFFFAOYSA-N	320.314	3.951	50	20	DHGD	
Cn1c(/C(C#N)=C\c2csc([N+](=O)[O-])c2)nc2ccccc21	255674650	LVAUYPOOFHRIKC-WDZFZDKYSA-N	310.338	3.607	50	20	DHGD	
CC(C)c1nc(C2CCN(/C(=C/C#N)c3ccccc3)CC2)no1	267472472	CYRCALWPIMJEFT-CAOOACKPSA-N	322.412	3.937	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cccc(Br)n1	272115836	QHLYMOGFWVWMOS-DFYQSJSGSA-N	307.191	3.756	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccco2)s1)C(=O)Nc1ccccc1	491045334	DVFYDUJMOZUSAG-FMIVXFBMSA-N	321.361	3.949	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1	492317241	JMELGXCIAQBZPZ-XQRVVYSFSA-N	305.381	3.941	50	20	DHGD	
COc1cccc2cc(C(C)=NNC(=O)CC(C)(C)C)oc12	728428674	GMJQYXZTVPZRQD-UHFFFAOYSA-N	302.374	3.718	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cc(C)cc(C)c1	730433114	GLMQRIMJTWMWAX-UHFFFAOYSA-N	301.777	3.506	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(C)c(F)c2)cc1	731490110	QXCPFCSIZRVJSP-SXGWCWSVSA-N	315.369	3.781	50	20	DHGD	
CC(C)CO[C@H]1CC(=NNC(=O)c2cccc(Cl)c2)C1(C)C	737421031	OHEFSKNNXCLBSR-HNNXBMFYSA-N	322.836	3.897	50	20	DHGD	
O=C(NN=Cc1nccc2ccccc12)c1cccc(Cl)c1	740760943	DTNURZYSHHTSBE-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
C[C@@H](C(=O)NN(C)c1ccccc1)c1ccccc1C(F)(F)F	743291767	QPGCOOVYYXEXSA-GFCCVEGCSA-N	322.330	3.977	50	20	DHGD	
CCCCCOc1cc(C=NNC(=O)[C@H](C)CC)ccc1OC	747048128	RWKDGFIKSHLAGX-CQSZACIVSA-N	320.433	3.760	50	20	DHGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)C1CCCC1	748132640	DZISTKVIMKUJAW-UHFFFAOYSA-N	302.443	3.755	50	20	DHGD	
CCCc1c(C(=O)NNc2ccccc2)cnn1C1CCCC1	752626756	OSAIQDAFNAZUBQ-UHFFFAOYSA-N	312.417	3.708	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	753683751	WUUAZEKFJPVWNX-UXBLZVDNSA-N	314.694	3.568	50	20	DHGD	
CC1(CC(=O)NNc2ccc(-c3ccccc3)nn2)CCCCC1	753815868	WAAAXQNOXSVICR-UHFFFAOYSA-N	324.428	3.947	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C[C@H](C)CC)cc1OC	755566201	NWSDOHGUHIXRHE-CYBMUJFWSA-N	306.406	3.636	50	20	DHGD	
Cc1cccc(-c2nc(C)c(C(=O)NNc3cccc(F)c3)[nH]2)c1	757142568	ROZUYFMWEDOLOY-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
O=C(CCc1ccccc1)NN=C/C=C\c1ccc(F)cc1F	758108226	DVCVVQRFMXQINW-PRZHPYSASA-N	314.335	3.713	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(/C#N)c3ccncn3)cs2)cc1	758912272	LWUJEUBRQBOHHE-ZSOIEALJSA-N	304.378	3.973	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2c(Cl)oc3ccccc23)cc1	761261776	QFNWJSBFGVJYTH-UHFFFAOYSA-N	323.739	3.722	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1ccc2sccc2c1	761570656	DCEPIDOYLFKTQQ-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccccc2Oc2ccccc2)CC1	767160505	SADKCVHJOLUIEB-UHFFFAOYSA-N	304.349	3.775	50	20	DHGD	
CSc1ccccc1C(=O)OC[C@@H](C)CBr	770328044	XTYGSYDBVKKMBJ-VIFPVBQESA-N	303.221	3.596	50	20	DHGD	
Cc1c(C(=O)NNc2cc(Cl)ccn2)oc2c(F)cccc12	778446904	INNADDCRNJMOIE-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)c2ccccc2O)C1	780188578	NLZXGXNZJQOCDC-IBGZPJMESA-N	308.381	3.620	50	20	DHGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)N2CC=C(C#N)CC2)C1	780686796	YDIIYLUYIXNVNW-AEFFLSMTSA-N	318.461	3.824	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccc(C(F)(F)F)c2)o1)C1CC1	781575379	HMLDOUABFWGAHV-UHFFFAOYSA-N	322.286	3.826	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1Cc1ccccc1C	791460013	FJYXTQVBERXQMX-INIZCTEOSA-N	308.263	3.953	50	20	DHGD	
CC[C@@H]1C[C@H]1NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	798095392	SOBKNRREVPWSLJ-UKYKFNLQSA-N	313.445	3.583	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccc(C)c(OC)c1	799759739	VTORGNVTCGGFSB-UHFFFAOYSA-N	312.413	3.560	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2cccnc2)C1)NC1CCCCC1	799867600	FHIILWLTIMVDEL-AWEZNQCLSA-N	314.433	3.727	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cccc(CCl)c2)cc1	799892438	IBOCPQOVSCDRRO-ZDLGFXPLSA-N	324.811	3.957	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(c3cc(C)cc(C)c3)CC2)cc1	817882246	FWALLQPRSWUWBO-UHFFFAOYSA-N	324.424	3.877	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1cccc(C(F)(F)F)c1	824208543	CIIJFZVCPLOQHZ-UHFFFAOYSA-N	308.250	3.584	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	827521932	WPTNJWGUIVTZLK-OTYXRUKQSA-N	311.769	3.518	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@H]1c1cccc(O)c1	839758450	UWNNYXYNJJBSCY-DLBZAZTESA-N	310.397	3.510	50	20	DHGD	
O=C(/C=C/C1CCCC1)NNc1ccccc1OC(F)(F)F	843860113	VHCWGBBGAYAHLP-MDZDMXLPSA-N	314.307	3.775	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)N(C)CC(Cl)Cl)CC2)c1	848080858	FNNRRFKNAHAPEI-UHFFFAOYSA-N	300.229	3.597	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc(OC(F)F)c2)[C@H]2CCC[C@H]21	853301990	CPEUWLVZXQLXGF-QWHCGFSZSA-N	322.355	3.830	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)OCC(F)(F)F)cc1F	853430674	MHIMIPLRXBCJCG-UHFFFAOYSA-N	324.299	3.560	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NN(CCC)C(=O)OC(C)(C)C	854432078	KXCJNXIKDOSOJL-OAHLLOKOSA-N	304.406	3.583	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1cc(F)cc(Cl)c1	855619007	ZDQSJJIDAAFKMI-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(COC(C)C)cc2)cc1F	856231623	FIHUTASARLXKBQ-UHFFFAOYSA-N	316.376	3.816	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C1(F)CCCC1	856234868	KFQFMCXAZYFFLY-UHFFFAOYSA-N	313.785	3.675	50	20	DHGD	
C[C@]1(CNCc2ccccc2OC(F)F)C[C@H]1Br	856808097	USVIALOGKUDSLK-DGCLKSJQSA-N	320.177	3.551	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cc(CC#N)ccn2)cc1	871728422	NSRIGVHAYJDPFO-UHFFFAOYSA-N	323.400	3.594	50	20	DHGD	
C[C@]1(C(=O)Nc2cccc3ccc(O)cc23)C[C@@H]1Br	907088638	XEGAWXZTGJJDTG-ZFWWWQNUSA-N	320.186	3.657	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)cn1	912579951	KSKNWVKNCALMPB-OAHLLOKOSA-N	320.509	3.626	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccccc2Cl)cc1	912646446	AUFRWEDITCEIIF-UHFFFAOYSA-N	306.818	3.884	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	916618731	VRAVQUXLBNSUNB-LFIBNONCSA-N	324.355	3.869	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(Cl)c(C)c2)c1C	928341248	UGENMQKWOMMCGM-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)c1n[nH]c2c1CCCC2	1318190770	FVGAVIDMUUSJTQ-CYBMUJFWSA-N	316.449	3.611	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cccc(-n3ccc(C)n3)c2)c1	1340924520	BLOWRYSXMWHSEH-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cn1cncc1[C@@H]1CCCCN1C(=O)c1cccc(CCl)c1	1550783629	GZBVMKGVOUPHKI-HNNXBMFYSA-N	317.820	3.526	50	20	DHGD	
CCCCCCC(C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776044858	ZRLHXHUMBWPHMG-UHFFFAOYSA-N	305.378	3.853	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2cccc(Cl)c2)cc1	30609957	VUKFRWFFEFSNAK-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1cccc(Cl)c1F	91991013	HKVVYKBATZVQQT-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(/C=C/c1cccs1)NNc1ccc(OC(F)F)cc1	123020771	XFCFXBPJLFPMTI-BQYQJAHWSA-N	310.325	3.506	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)n(C3CC3)c2C)c1	127820696	NTIYXELUPJNOKY-UHFFFAOYSA-N	301.365	3.644	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2ncc(Cl)cc2Cl)c1C	132949885	NAYUANWREZWOPD-UHFFFAOYSA-N	314.172	3.664	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1	139609348	WQJSWWGDUGWICS-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1cnc([C@H](NC[C@H](C)CBr)C2CC2)s1	152825788	XRBBUEJVWPJFBH-LDYMZIIASA-N	303.269	3.523	50	20	DHGD	
CCc1[nH]nc(NC(=O)CCCC[C@H]2CCSS2)c1C	153730929	HPQRNQXRKLCILJ-NSHDSACASA-N	313.492	3.933	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1[C@H](CC)c1ccccc1	159767949	HYFCRHOKXZSXBB-MZLKKBAMSA-N	312.413	3.615	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Br)cc2)ccc1F	170892543	IXJPMIBNEFOHPO-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c([N+](=O)[O-])c1	172692290	VPDJRFJOZHFWHG-JYVXZMADSA-N	302.330	3.516	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)[C@H]1CCCOC1	175638781	LPJOXPLMYLDMMY-AWEZNQCLSA-N	318.442	3.750	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)cc(F)c1	179174145	LPOLCCZVNAOHQC-SDQBBNPISA-N	314.291	3.519	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccccc1CCC(F)(F)F	296964873	DENDJQJEIAVMTG-UHFFFAOYSA-N	314.134	3.715	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCCO2	727255107	CPCIRECXDBREAZ-ZDUSSCGKSA-N	316.401	3.534	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)c3ccc(C)cc3O)C2)cc1	729816020	CXPRNRYOKPBMAX-UHFFFAOYSA-N	308.381	3.672	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)Nc1ccc(OC(F)F)cc1	741771256	QMKRRVVIMWMDMZ-SNVBAGLBSA-N	311.332	3.998	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1)c1ccccc1C(F)(F)F	743298463	ZHWOLDRWWFBCQC-LLVKDONJSA-N	308.303	3.952	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc2c(c1)COC2	743439532	AEHIGTQGZRKJBL-UHFFFAOYSA-N	322.408	3.535	50	20	DHGD	
C[C@@H](C=NNC(=O)C1CCCC1)c1cccc(Br)c1	747633886	YPHNZEVTWCEWBC-NSHDSACASA-N	323.234	3.845	50	20	DHGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1ccsc1	749099851	UZTDCNTYKWTJMK-UHFFFAOYSA-N	322.430	3.910	50	20	DHGD	
CCc1ccc(C(=O)NN=C[C@H]2CCOc3ccccc32)cc1	752163306	AQCDVPKPFPQARQ-MRXNPFEDSA-N	308.381	3.531	50	20	DHGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)/C(C#N)=C\c1ccc(F)cc1	752468318	STHMZTJZBYBDAE-LGDHNJMOSA-N	320.367	3.579	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756018295	UUUBVSGCUZTJAP-MELADBBJSA-N	317.389	3.644	50	20	DHGD	
CC(C)c1ccc(CC=NNC(=O)CNc2ccccc2)cc1	760244918	YYIPGPPALCZPNW-UHFFFAOYSA-N	309.413	3.567	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1ccc(OC(C)(C)C)cc1	764904022	HSNDAXDHXBEDAB-UHFFFAOYSA-N	316.323	3.657	50	20	DHGD	
CC(C)(C)OCCCOC(=O)[C@@H](Br)C(C)(C)C	766746729	RDPZZUYSBRBIBG-SNVBAGLBSA-N	309.244	3.544	50	20	DHGD	
CC(C)(C)[C@@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	767958735	QIUICAAPOJYQOE-QWRGUYRKSA-N	304.272	3.833	50	20	DHGD	
CCC[C@H](C=NNC(=O)Cc1ccccc1OC)c1ccccc1	769570742	RLXWAZWZRGHIAL-GOSISDBHSA-N	324.424	3.924	50	20	DHGD	
O=C(/C=C\c1ccccc1F)NNc1ccc2ccccc2n1	777467124	USOWNUDJCMXUKK-BENRWUELSA-N	307.328	3.530	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)C1=CCCCCC1	779208651	CMWBCWUMPKLLAG-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)CC2CCC(C)(C)CC2)c1	780796518	DAZJESFEPGZZCM-UHFFFAOYSA-N	318.417	3.523	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](c2ccccc2)[C@@H]1C	790880173	RFTANVCOBVRMAT-JSGCOSHPSA-N	310.488	3.585	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H](Cc2ccccc2)C1	791460649	ORNUTWBFKNMGGF-INIZCTEOSA-N	308.263	3.892	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc(F)c(F)c1F	793706994	QZNXISGMGYXHEZ-ZJUUUORDSA-N	300.324	3.763	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)c1cccc(C2CCC2)c1	799100694	YJSFZHIXDGKJIZ-UHFFFAOYSA-N	318.380	3.654	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(CC(F)F)c2)cc1C	814182910	OJIRCSNGAHXORK-GIDUJCDVSA-N	315.323	3.555	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NN=C1CC[C@@H]1C1CCC1	814754048	IJGVAEUFNKOVIW-OAHLLOKOSA-N	320.433	3.990	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2ccc3ccccc3c2)cc1	817921049	GKKQZXSZELPPFM-UHFFFAOYSA-N	320.392	3.924	50	20	DHGD	
CC(C)(CCNC(=O)[C@H](Br)C(C)(C)C)C1CC1	819156913	YKMWIWDNLQYSHV-NSHDSACASA-N	304.272	3.739	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)c1	827170671	VGXZNACXPPRXIJ-RTBURBONSA-N	319.408	3.975	50	20	DHGD	
CCC[C@@H](C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387641	LRTPTJAEAMMSCP-SECBINFHSA-N	324.837	3.738	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cccc(F)c1OC(F)F	849180219	ZUBHZKRVLYNSCE-RMKNXTFCSA-N	301.239	3.651	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	853340730	GRMDUZMQEMNFNI-GFCCVEGCSA-N	321.808	3.539	50	20	DHGD	
C[C@H](CCC(=O)NNc1ccnc(Cl)c1)c1ccccc1	855465240	KWDVAHOYILKIMP-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)c2cccc(O)c2)C1	912584209	FYVJHQWZCLUYOY-OAHLLOKOSA-N	321.493	3.629	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1cccc(F)c1	916350796	JBPBOBOJTFPDIY-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
CSSCCNC(=O)C(F)(F)c1ccc(Cl)cc1	1322122477	QCVVNYKDWYDMOQ-UHFFFAOYSA-N	311.806	3.559	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(F)c(C(=O)O)c(F)c1	1776751342	RGJKSWQXJQCIFP-WUFUFFIZSA-N	307.296	3.575	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cc2c(s1)CCC2	8340982	FHKDTYKKRQFDAU-UHFFFAOYSA-N	314.454	3.779	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2)cc1	35681185	XWNBJXNBSKTWSO-ATVHPVEESA-N	307.349	3.736	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3ccc(O)cc3)c[nH]c2c1	63412926	LZHIPYXMNWFJQL-ZROIWOOFSA-N	302.333	3.972	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NNc2cccc(C#N)c2)c1	152440118	OQDZYKIDUAKGFZ-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(O)ccc2[N+](=O)[O-])c1C	157310090	LPQFLAFZHQRIBS-RIYZIHGNSA-N	322.320	3.707	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2cccnc2Cl)cc1	158633334	HIPFMWNMPQCTSA-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1OCC1CC1	160849915	OHKJQZPWRGWPOA-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
COCCC1(CNC(=O)CCCC[C@@H]2CCSS2)CC1	164210290	CYZMRSBKZPRJCM-CYBMUJFWSA-N	317.520	3.633	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)c2ccccn2)c1	171989287	IOANVDOYGGYVRJ-XYOKQWHBSA-N	302.280	3.756	50	20	DHGD	
CO[C@@H](C)CCC(=O)NN(Cc1ccccc1)c1ccccc1	180712175	PKDZLCRTAJPHHL-INIZCTEOSA-N	312.413	3.540	50	20	DHGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)c1cccc(F)c1	181147924	ITJGVDCQNAASPQ-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
CCc1ccc(C(=O)NNc2nc3ccccc3cc2C)cc1	181308554	VJMYIFJUWZRFPG-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1ccc(Cl)cc1Cl	191930672	AHWQPVPODQNKSS-UHFFFAOYSA-N	317.216	3.832	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H]1CCCC(F)(F)C1	282886981	YYSIVEFPDAAVOB-CYBMUJFWSA-N	319.355	3.812	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2c(C)cc(C)cc2C)cn1	490908765	LLMSOZNNUMTRDU-CXUHLZMHSA-N	321.380	3.561	50	20	DHGD	
COc1cccc(OC)c1/C=C(/C#N)C(=O)c1ccc(F)cc1	588386519	BGVMAURFBMKDNX-RAXLEYEMSA-N	311.312	3.633	50	20	DHGD	
CN(N=Cc1cccc(OC(F)(F)F)c1)C(=O)OC(C)(C)C	727971056	NBJCDQLVXUZEJP-UHFFFAOYSA-N	318.295	3.786	50	20	DHGD	
Cc1cccc2c1CCC2=NNC(=O)c1ccc2ccccc2n1	729140564	JHQXMTHCKIAIDZ-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)Nc1ccc(F)cc1	731836037	ZSJHCHAKXWEDCK-SDNWHVSQSA-N	317.323	3.920	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)C(C)(C)c1ccc(F)cc1	734979383	GMTDHMBFHIZJQM-UHFFFAOYSA-N	304.287	3.548	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)Cc2ccccc2F)ccc1[N+](=O)[O-]	737483383	JFTJBUYQZZDCTR-LBPRGKRZSA-N	317.316	3.827	50	20	DHGD	
COc1ccccc1CCC(=O)NNc1c(C)cc(C)cc1C	743763446	KBRJVFSMLIAXEY-UHFFFAOYSA-N	312.413	3.696	50	20	DHGD	
CO[C@@]1(C)CC(=NNC(=O)c2ccc3ccccc3c2)C1(C)C	746565941	RSBCFAJGPDBMAI-IBGZPJMESA-N	310.397	3.761	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748721649	FVBCWQUNGUFXGJ-VHSXEESVSA-N	311.769	3.518	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCc1ccc(Cl)cc1	750666875	UGMBFIJYETZYMU-ZROIWOOFSA-N	313.740	3.696	50	20	DHGD	
CC(C)c1ccsc1C(=O)NNc1nccnc1C(C)C	772860264	LFHKBUNHPOJMPD-UHFFFAOYSA-N	304.419	3.542	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(Cl)c2)ccc1N(C)C	775488450	ULRGUVCOKDSHLJ-UHFFFAOYSA-N	318.808	3.863	50	20	DHGD	
N#CC1=CCN(C(=O)c2occc2CSc2ccccc2)CC1	780688751	ABARRLFEKGVSGR-UHFFFAOYSA-N	324.405	3.868	50	20	DHGD	
CCSCc1cccc(NS(=O)(=O)CCCCCl)c1	788058408	MNJFYQHAQSLFKV-UHFFFAOYSA-N	321.895	3.700	50	20	DHGD	
CCC(C)(C)c1ccc(NC(=O)NNC(=O)CC(C)(C)C)cc1	790598545	OIPAHPJPMRVJFH-UHFFFAOYSA-N	319.449	3.963	50	20	DHGD	
CCCN(Cc1ccc(C)cc1)C(=O)NCCSSC	790879942	FBBSAJGPNSTGOR-UHFFFAOYSA-N	312.504	3.928	50	20	DHGD	
C[C@H](CBr)CN1CC[C@]2(C)[C@H](C1)C2(Cl)Cl	792908233	LOPLXXSJRYSASZ-KXUCPTDWSA-N	315.082	3.533	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)[C@@H]1CCC(F)(F)C1	794922896	JBUQUZXNXQACOQ-MRVPVSSYSA-N	308.250	3.584	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1c(C)nc2ccccn12	797400018	KJIPVBHXCLJARR-OCCSQVGLSA-N	312.417	3.575	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCCSC1	805292255	LABJYQZVVLDILX-STQMWFEESA-N	319.561	3.960	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C1(C(F)F)CCCC1	813510477	ZMBUPNSWEDPPIK-UHFFFAOYSA-N	319.355	3.812	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CC[C@@H](C)C2)cc1	814703493	DFLUBVHKKLUVLK-CYBMUJFWSA-N	309.413	4.000	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1nc(-c2ccccc2)cs1	814805728	MCCZXGGQLXQJMZ-UHFFFAOYSA-N	301.415	3.696	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(F)cc2Cl)cc1	814997852	IUIIKUPDSNWKDJ-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	817005418	SMVSFMNQIYDTHE-CYBMUJFWSA-N	303.793	3.762	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC[C@H](C3CCC3)C2)cc1	840574817	WWYOVVIKACYZGJ-KMTKGMGQSA-N	324.424	3.641	50	20	DHGD	
Cn1nc(C(F)(F)F)cc1/C=C(/C#N)c1nc(C2CC2)cs1	853002175	IBNPKKTZYRCIIR-WTKPLQERSA-N	324.331	3.837	50	20	DHGD	
CC(C)(C)Oc1cccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c1	864365984	HXZOWFJPEOHILU-BMANGOCTSA-N	313.397	3.767	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(Cl)c2)ccc1[N+](=O)[O-]	916970332	BZEKUBBJIVZFHT-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC[C@H](C)[C@@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1	920838258	KPVFQHQSQBKFMR-KBXCAEBGSA-N	324.424	3.586	50	20	DHGD	
Cc1ccc(NNC(=O)COc2ccccc2C(C)(C)C)cc1	921185335	OKRPMGJUBDMRSB-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc(CC(C)C)s2)c1	935021884	NPKCEGPBTYHWMT-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
Cc1ccc(NNC(=O)CCO[C@H](C)CC(C)C)cc1Cl	1319051395	XCSIQLPVLMJDIJ-CYBMUJFWSA-N	312.841	3.933	50	20	DHGD	
CC1(C)CCCC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC1	1776045759	JMDYYALELNJDPS-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1cc2[nH]c(C(=O)O)cc2o1	1777465072	BLIDOHNKYIDULL-WDZFZDKYSA-N	320.304	3.557	50	20	DHGD	
N#C/C(=C/c1ccccc1OC(F)F)C(=O)Nc1ccccc1	43079196	NZXXHLOICFAKHL-RAXLEYEMSA-N	314.291	3.834	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1csc2ccccc12	78351462	DIENZNXYLREHNC-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)NNc1ncccc1Cl	91987166	MTZUWORABOYLLE-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2cc(F)c(F)cc2F)CC1	115719485	PGGSEYNMYOSUGO-UHFFFAOYSA-N	320.314	3.587	50	20	DHGD	
C[C@@H](CC(=O)NNc1c(F)cccc1F)c1ccc(F)cc1	118509774	IUAPMAZMILUJAQ-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C12CC3CC(CC(C3)C1)C2	118513151	SIOPRFAQOVUUSW-UHFFFAOYSA-N	306.356	3.624	50	20	DHGD	
CC(C)c1cccc(N(C)S(=O)(=O)CCCCCl)c1	153699963	GIEJCDJJEGLGRY-UHFFFAOYSA-N	303.855	3.595	50	20	DHGD	
COc1csc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	153731549	KKZYMSVDTDVFCN-UHFFFAOYSA-N	316.304	3.532	50	20	DHGD	
Cc1cccc(OCCCCC(=O)NNc2cccc(F)c2)c1	154382585	ANTQNCQNRYGFKG-UHFFFAOYSA-N	316.376	3.827	50	20	DHGD	
CN(Cc1cccn1C)C(=O)CCCC[C@H]1CCSS1	158277168	YBJWHYHIWQKCRI-AWEZNQCLSA-N	312.504	3.698	50	20	DHGD	
CC(C)(C(=O)NNc1cccnc1Cl)c1ccccc1Cl	158634051	NLRJCNMUGRWLAP-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
CC(C)(C(=O)NNc1cccnc1Cl)c1ccc(Cl)cc1	158636866	IBEQWZWBQAVFRP-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H]2C[C@H]2c2cccc3ccccc23)c1	176759026	MMYLEABYZUXQJG-ROUUACIJSA-N	317.392	3.790	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc2ncccc2c1	179020812	IEOGTTZNVMWBKX-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
COc1csc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	181120412	JEQMMJRFHLIMKH-UHFFFAOYSA-N	304.415	3.811	50	20	DHGD	
Cc1ccc(CCCC(=O)NNc2c(C)cccc2F)s1	184350241	AUILMWQZVKTRKJ-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccncc2)c(Cl)c1	186333559	PORQKKJOKMLWDN-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
CCO[C@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	194322082	ABOPJHRSNNYCEW-HNNXBMFYSA-N	304.777	3.561	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1cc(Cl)cs1	195223744	KYKIHCVTBKYMIR-POHAHGRESA-N	318.785	3.956	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1ccc(Cl)cc1	196572944	DQJUNWANILVWLJ-NSHDSACASA-N	318.642	3.766	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccc(C(C)(C)C)cc2)cc1	252636131	XEVSSRHFYMFBMQ-UHFFFAOYSA-N	310.397	3.757	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C/c3ccnn3C)n2)cc1	255285930	JJCDABDEDCUOLS-UKTHLTGXSA-N	322.393	3.616	50	20	DHGD	
C=C(CBr)CN1CCC(N(C)c2ccccc2)CC1	279707179	KLAKAZYPLXLKLX-UHFFFAOYSA-N	323.278	3.538	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc2nc(C(F)F)sc2c1	490940415	IUGMTMNPUFTBJR-FPLPWBNLSA-N	323.324	3.616	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1	588597571	OMDTYSFPTSFHBG-UUASQNMZSA-N	313.303	3.901	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC[C@@H]2CCCO2)cc1	726430034	WZWALVJHHKMNDP-PPBDENSKSA-N	313.397	3.767	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc(Cl)s1)c1ccccc1	731151439	ZEIPOGBGRBNMPO-UHFFFAOYSA-N	306.818	3.829	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@@H](C)c2cccnc2)cc1	733417001	OCIRCLXUSMNZBC-FMNVXAMXSA-N	322.364	3.692	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1ccc(SC(F)F)cc1	734976972	XAFQQJYVGKQIRD-UHFFFAOYSA-N	321.352	3.550	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)C(C)(C)c1ccccc1	742656347	AHDKWRKFTHYTJZ-HNNXBMFYSA-N	318.461	3.718	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C[C@H](C)C1	747766816	YWTRYJPJBJCROG-GHMZBOCLSA-N	316.430	3.680	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2ccccn2)C[C@@H](c2ccccc2)C1	749853725	VDPYIKHZTNIOAJ-HOCLYGCPSA-N	307.397	3.771	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1c(O)cccc1Cl	755699280	XJLFVDCBZHQNPJ-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CC[C@H]2CCCC[C@H]2C1	756787156	GSXWFSMCPDZHKD-FRRDWIJNSA-N	307.825	3.785	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1cccc(Cl)c1F	759652507	IDCCSROLKOQNJT-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
COCCOc1ccc(/C=C(\C#N)C(=O)C2CCCCC2)cc1	767714494	QLRTWRUDOXUGGF-GHRIWEEISA-N	313.397	3.768	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)CCc1ccccc1F	771713975	RMCTWDAQPXKZQF-CYBMUJFWSA-N	318.367	3.985	50	20	DHGD	
Cc1cc(F)cc(NC(=O)NNc2ccc3ccccc3n2)c1	775683988	VHSQWGODAFMSPA-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
O=C(Cc1coc2ccc3ccccc3c12)NNc1ccccn1	777472388	FRXJSSZDPXMFQU-UHFFFAOYSA-N	317.348	3.667	50	20	DHGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)COCc2ccccc2)C1	783844852	FJEHDZWQXXHGEB-NVXWUHKLSA-N	302.418	3.522	50	20	DHGD	
CCCCNC(=O)NN=C[C@@H](C)c1ccc(C(F)(F)F)cc1	789000466	MMZCFPDNKQNXLP-LLVKDONJSA-N	315.339	3.894	50	20	DHGD	
C=C(CBr)CN(Cc1ccccc1)C[C@H]1CCCO1	791445855	TWARFQHBDVIQME-MRXNPFEDSA-N	324.262	3.619	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCCCCCF)cc1	791602583	NUBKITUOQABEJH-QINSGFPZSA-N	305.349	3.675	50	20	DHGD	
O=C(CC[C@H]1CCCCO1)NNc1cc(Cl)cc(Cl)c1	791721565	ZCERBTIHLYVDJZ-CYBMUJFWSA-N	317.216	3.786	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCC(F)(F)CC1	794293223	SRYXCDQEDPTPPZ-NSHDSACASA-N	309.447	3.958	50	20	DHGD	
CSc1cccc(F)c1C(=O)OC[C@H](C)CBr	798752681	DKMLQFABDVCSTB-MRVPVSSYSA-N	321.211	3.735	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc([N+](=O)[O-])cc1C	805383682	KXZRZGYXUNATGS-GXTWGEPZSA-N	305.378	3.563	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@H]1C[C@H]2CC[C@H]1C2	812020528	DMIIHLSDUQYZNR-MJVIPROJSA-N	315.804	3.768	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1cccc(Cl)c1	814732544	QKAZIABFBYOPAQ-ZDUSSCGKSA-N	303.793	3.776	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCCc3ccccc32)cc1	814999487	ZQKUKTSZIAPHBZ-UHFFFAOYSA-N	309.369	3.557	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC(C2CCCCC2)C1	819005946	JDLKCQOOIUGFTP-YBEGLDIGSA-N	312.388	3.771	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)OC1CCCC1	831130780	XOJDKPMMAVYTBW-UHFFFAOYSA-N	302.286	3.601	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2C[C@H](C)CC[C@@H]2C)cc1OC	834929612	QSMBZMGBFUFJDA-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
COC1(C(C)=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)CCC1	853276912	JFXBAAZICUCVKX-NSHDSACASA-N	320.458	3.548	50	20	DHGD	
CC(Cc1ccc(Cl)c(C(F)(F)F)c1)=NNC(=O)N(C)C	853296165	DRVRIJLJXIXNJN-UHFFFAOYSA-N	321.730	3.548	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H]1CCC[C@@H]1Cc1ccccc1	854451200	UTOITMNNTOTCCF-OLZOCXBDSA-N	300.229	3.565	50	20	DHGD	
CSCC1CCC(NC[C@]2(C)C[C@H]2Br)CC1	857064387	TUKMJOWHDMXTAR-TUUUFIMRSA-N	306.313	3.671	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(F)cc2Cl)CCC1	885137171	NYKCWUJTKWFMNB-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2c(C)noc2CC)cc1	899339301	QADOTBCVTBNNJO-UVTDQMKNSA-N	309.369	3.654	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	917214137	GQPVJOONGOHIQG-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
CCCC1CCC(NC(=O)NNc2cccc(C#N)c2)CC1	919913753	NSGFZKGOFMUSMD-UHFFFAOYSA-N	300.406	3.543	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)CCc1ccc(OC)cc1	920380110	OOOFGFYTWDTRTI-CQSZACIVSA-N	304.434	3.946	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cnc(F)c(Cl)c1	935022624	JDCIPUVYHSNBKX-UHFFFAOYSA-N	319.767	3.510	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc3c(c2)CCC3)n1	1318777959	GYOYNEDTVBNIRB-OQLLNIDSSA-N	324.405	3.873	50	20	DHGD	
CO[C@](C)(C(=O)NNc1ccc(C)c(Cl)c1)c1ccccc1	1320537155	DHOXNUFBCZUALP-KRWDZBQOSA-N	318.804	3.653	50	20	DHGD	
Cc1ccc([C@@H](O)[C@@H](C)NC(=O)c2cccc(CCl)c2)cc1	1335955160	CIUVPMPOUSSOEN-DYVFJYSZSA-N	317.816	3.586	50	20	DHGD	
CCO/C=C(\C#N)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1	1348930563	JIWMWZVKAZKPTM-SPQRFVMMSA-N	319.748	3.764	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)[C@H](C)CC(C)C	1776047185	ZDLSLGWEVGNNQK-LLVKDONJSA-N	305.378	3.564	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C\C(=O)O)cc1)c1ccc([N+](=O)[O-])cc1	1776131121	IFHYNEKLZSYHEU-YTDBMVDTSA-N	320.304	3.757	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(F)c(C(=O)O)c1	1777465157	OPQNNNLPZPZRGY-MDWZMJQESA-N	309.296	3.622	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)cc(C)c1O	7157262	KFVFVVBPUJKLPH-CLXYIWAZSA-N	320.392	3.793	50	20	DHGD	
COc1cc2c(cc1OC)CN(/C(=C/C#N)c1ccccc1)CC2	78685922	VSBYLOPYGUWEMW-QGMBQPNBSA-N	320.392	3.627	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(Cl)cc2C)c1	132703692	AFHIUDOVMIJLSO-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(C)nc(Cl)c2)c(C)c1	132706761	DILYJHMCRYGNSK-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
O=C(NNc1ccncc1)c1cc(-c2ccccn2)ccc1Cl	180523688	IBZKAOMJIFXLBW-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3cc2C)cc1	181283829	KKGYVUGGGZPUBL-UHFFFAOYSA-N	305.381	3.537	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1ccccc1OC(F)(F)F	190180289	UBCAIROVADJTAB-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccccc1Cl	193377409	GYFFCXRGBXWPPB-NTEUORMPSA-N	314.747	3.702	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2OC)c1	212890255	XQKMGLMTGWYTFX-GDNBJRDFSA-N	322.364	3.558	50	20	DHGD	
C=CCOc1ccc(/C=C(\C#N)C(=O)NCC(C)C)cc1Cl	255138123	OJIZHZIRZKWBRF-RIYZIHGNSA-N	318.804	3.584	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@H]1CCCC(F)(F)C1	281903514	AKYZNQVBIDUDER-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
O=C(/C=C\c1ccsc1)NNc1cccc(Br)c1	492221229	IUVANGHXKVDGCG-PLNGDYQASA-N	323.215	3.667	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1	588597335	HPFKXXWWBZNHNV-UUASQNMZSA-N	313.303	3.901	50	20	DHGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	728399519	LLXXFZXMWPVKRX-DOMZBBRYSA-N	320.393	3.580	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCC(F)(F)F	742929307	PGPYDUWHHHMTMR-VIFPVBQESA-N	301.399	3.769	50	20	DHGD	
Cc1cc(C=NNC(=O)CC(C)(C)C)c(OC(F)F)cc1C	743437727	GCSDPFKUALPHFU-UHFFFAOYSA-N	312.360	3.791	50	20	DHGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)nc1	745800329	ZMHGDDZJTURMHD-YPMHNXCESA-N	310.829	3.720	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccsc1	749099246	MRLVTESGSJVSMP-CQSZACIVSA-N	316.426	3.673	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@@H]2CCc3ccccc32)c1	755504862	MPDVAWIIWULGBS-KRWDZBQOSA-N	322.408	3.514	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C#N)c(C)c2)c1	766286787	BCGXNKLZDUHWHW-YVLHZVERSA-N	301.349	3.721	50	20	DHGD	
CC[C@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768167671	WDWZASULHAHNOC-RYUDHWBXSA-N	304.272	3.835	50	20	DHGD	
CC1(C)C[C@H](NC(=O)NNc2cccc(C#N)c2)c2ccccc21	770438720	QPIWITIIOWSRPY-KRWDZBQOSA-N	320.396	3.607	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)NNc2nccnc2C(C)C)c1	770598417	VRXLVYZLOWJKDW-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1ccc(Br)c(F)c1	771681167	PKNZFOWUURXNFR-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cscc2Cl)cc1	771840875	LUCDBOBDSMGIHR-POHAHGRESA-N	318.785	3.956	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2ccc(F)cc2C)cc1	780657324	PUOSOIDYNOCHSG-UHFFFAOYSA-N	308.303	3.678	50	20	DHGD	
COc1cc(F)ccc1NC(=O)[C@H](Br)C(C)(C)C	781073394	IFQZLLXCLRVOOL-NSHDSACASA-N	318.186	3.582	50	20	DHGD	
O=C(NN=C1COCc2ccccc21)c1cccc2ccccc12	782230069	CXAVNHPTSNMWNK-UHFFFAOYSA-N	316.360	3.504	50	20	DHGD	
COC(=O)/C(C#N)=C\c1ccc(Oc2ccc(OC)cc2)cc1	783684719	HZBSSYAFDAVVFJ-KAMYIIQDSA-N	309.321	3.567	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1OC(C)C	786034072	WJWPRZGFKPOCQH-UHFFFAOYSA-N	324.384	3.803	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1C1CCCCC1	790879092	BOJBMTOGPUANII-CYBMUJFWSA-N	302.509	3.752	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)s1)C(=O)[C@@H]1CCCOC1	794883380	LAJQJKXCHPNPCT-ZFZMKPAXSA-N	315.316	3.670	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc3nccc(C)c3c2)c1	802832065	XKKRPWDYVLWKIM-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccc2c(c1)CCC=C2	803040171	SQSYRRSQSVTJIC-UHFFFAOYSA-N	315.376	3.951	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1nc(C(F)(F)F)cs1	807037392	PAZUTQCPOUOHGJ-UHFFFAOYSA-N	319.308	3.635	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=Cc2ccc(F)cc2)c1	814991124	SZTMPWAXWMGBMJ-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)Nc2cc(F)cc(F)c2)s1	815005641	OPQXMOXZDXGUKW-UHFFFAOYSA-N	324.356	3.700	50	20	DHGD	
CSSCCNC(=O)C1(c2c(F)cccc2F)CCC1	817450317	WHIRAOGJLRFXLM-UHFFFAOYSA-N	317.426	3.514	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=O)C1CCCC1)c1ccc(Cl)cc1	821750369	FAGSDJVJPRCFHM-OAHLLOKOSA-N	322.836	3.561	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(C(C)C)cc2)CC1	837052911	MZVUDFQOLSXVLJ-UHFFFAOYSA-N	304.434	3.848	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1cc(F)ccc1Br	839879026	NKTNVZCDSZRISV-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)CC1	843896669	CCEPEOLJWWFLCD-NSHDSACASA-N	313.323	3.680	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cnc3n2[C@H](C)CCC3)cc1	846250286	XQRGGTIOVVBOQB-CYBMUJFWSA-N	312.417	3.661	50	20	DHGD	
C#CC1CCC(=NNC(=O)c2ccc(Cl)cc2Cl)CC1	853279847	ZFJOYCIBIYBDIR-UHFFFAOYSA-N	309.196	3.903	50	20	DHGD	
CC(C)c1cccc(C=NNC(=O)CCc2ccccc2O)c1	853304271	HAAFNKPKLFEWHP-UHFFFAOYSA-N	310.397	3.599	50	20	DHGD	
C#CCOc1ccc2ccccc2c1C=NNC(=O)OC(C)(C)C	916266921	NTVRORIOICNTPT-UHFFFAOYSA-N	324.380	3.710	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1cccc(C#N)c1	917544888	JZTDJFFVDWLZFX-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
CN(C)CCc1ccc(NC(=O)C2CCC(Cl)CC2)cc1	1123555100	XNJZTJZIXFMWBU-UHFFFAOYSA-N	308.853	3.527	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1Cl)c1ccc(C#N)cc1	1322093535	ZSXWCWSXWKEPRY-UHFFFAOYSA-N	311.772	3.756	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC(C)(N3CCCC3)CC2)c1	1330882824	KIYVILSUIPZDSO-UHFFFAOYSA-N	319.474	3.571	50	20	DHGD	
Cc1cc(C(=O)OC[C@@H](C)CBr)nc2ccccc12	1342806760	JIGSKYMFGOIJDF-JTQLQIEISA-N	322.202	3.731	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](N2CCCC2)CC1	1346835696	INQVOFHBFWAHGB-KRWDZBQOSA-N	320.864	3.516	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(C(=O)O)c(F)c2)CCCC1	1591191943	JDDKVDNAYQIJBU-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
Cc1c(Cl)cccc1NNC(=O)CC1(CC(=O)O)CCCC1	1600017093	MXWLSCQFKSCGTQ-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccnc1Cl)c1ccccc1	85682005	QACAIWNUAZCUEF-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
C=C[C@H](CC(=O)NNc1ccncc1Cl)c1ccccc1	89506077	MSOKPAUAFVYOLC-GFCCVEGCSA-N	301.777	3.538	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)c1	104115451	PKLTVZZVKTVLPK-HOTGVXAUSA-N	300.789	3.895	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Oc1ccc(Cl)cc1	114219735	JXOIMWGJYOPCGP-UHFFFAOYSA-N	313.184	3.611	50	20	DHGD	
CC(C)Cc1nc(C(=O)NNc2ccc(Cl)cc2)cs1	120185950	GPLASUPCKVABFC-UHFFFAOYSA-N	309.822	3.752	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(-c2ccccc2F)o1	154477993	SLQREXWOYMPNNX-UHFFFAOYSA-N	314.291	3.982	50	20	DHGD	
COc1ccc2cccc(CC(=O)NNc3ccccc3F)c2c1	161084901	PGNYLTNIFPVDCK-UHFFFAOYSA-N	324.355	3.673	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2SCCc3sccc32)c1	175231464	OSOOVRIJJBHDPF-CQSZACIVSA-N	304.440	3.530	50	20	DHGD	
O=C(CC[C@H]1CCOC1)NN(c1ccccc1)c1ccccc1	176422313	ZUSREEWZKYQASP-INIZCTEOSA-N	310.397	3.673	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)c1ccc(-c2ccccc2)cc1	254492464	WINZXOKASPUESU-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2sc(C(C)(C)C)nc2C)c1	268399295	IUBWNLBIMUDCLQ-UHFFFAOYSA-N	321.421	3.953	50	20	DHGD	
CC(C)c1nc(C(=O)/C=C/c2cnn(CCCl)c2)cs1	276158921	FHTBESLWNMLTHJ-ONEGZZNKSA-N	309.822	3.598	50	20	DHGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1ccc2c(O)nccc2c1	295999038	MAGOBVBCURKMBK-WFASDCNBSA-N	313.401	3.600	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=C1CCC[C@@H]1c1ccccc1	732528256	USTBPWKMEQGPLR-QGZVFWFLSA-N	310.372	3.808	50	20	DHGD	
CSc1ccc(C(=O)NNc2nccc3sccc23)cc1	734249546	ACNXCQWZDZAQIF-UHFFFAOYSA-N	315.423	3.775	50	20	DHGD	
CCc1nc(C)c(C(C)=NNC(=O)Nc2ccccc2C)s1	735227373	SAVWFJXVLTWPGJ-UHFFFAOYSA-N	316.430	3.868	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1	735620324	XGINYKGJFMETOQ-XNTDXEJSSA-N	316.364	3.894	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1ccc(C)o1	741772027	RDTZDNOKSACYPM-UHFFFAOYSA-N	323.299	3.735	50	20	DHGD	
O=Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)cs1	748018508	DBZQDXUZLANHPX-UHFFFAOYSA-N	315.181	3.624	50	20	DHGD	
O=C(Cc1coc2cc(F)ccc12)NNc1ccccc1Cl	748318409	RPLQIXZQPSPIHW-UHFFFAOYSA-N	318.735	3.911	50	20	DHGD	
CCC/C(C)=C/C(=O)NNc1ccc(OCC(F)(F)F)cc1	748701760	ZZLDDFLROPDZPB-PKNBQFBNSA-N	316.323	3.817	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)/C=C1\CC[C@H](C)C1	748754104	HCXLHLXLNRRLCO-LZAIMSLLSA-N	323.234	3.947	50	20	DHGD	
CCSc1ccc(C(C)=NNC(=O)c2ccc(O)cc2)cc1	755468643	XUVDZADWXDEWEL-UHFFFAOYSA-N	314.410	3.658	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CC[C@H]3CCCC[C@H]3C2)c1	756011536	APYGELHWELUJDG-HZSPNIEDSA-N	320.408	3.884	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(O)c(F)c2)cc1	768409879	KLOKIBYLPJVSQI-UHFFFAOYSA-N	302.349	3.586	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(Br)c(F)c1	785636069	VTMSVBPKGIYBMJ-ZDUSSCGKSA-N	315.186	3.634	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)[C@@H](C)c1ccc(Cl)cc1	794453520	QRIHEMKIKRCKHP-LLVKDONJSA-N	315.804	3.832	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	794457122	VJRCAEWEBDWOKQ-INIZCTEOSA-N	324.380	3.571	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccnn1-c1ccc(F)cc1	794875951	YPDCFTCRHSPDDY-KAMYIIQDSA-N	311.360	3.924	50	20	DHGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(/C#N)C(=O)NC1CC1	799889336	MRNDWPCPXBURLQ-PHRMNRNWSA-N	320.314	3.837	50	20	DHGD	
Cc1c(C(=O)NNc2ccccn2)sc2cc(F)ccc12	807195994	OXQIKUICCFCGNU-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
ClCCCOc1ccc(CNCC2CCSCC2)cc1	811480153	RDRZSTFLLDVATF-UHFFFAOYSA-N	313.894	3.927	50	20	DHGD	
C/C(C=NNC(=O)CC(C)C)=C/c1ccccc1OC(F)F	811634487	QGBLQFVVRCKEEA-MXLXCKMSSA-N	310.344	3.839	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc([N+](=O)[O-])cc1	812768645	ZUMHZYGEEYUDLZ-UHFFFAOYSA-N	313.357	3.784	50	20	DHGD	
CN(NC(=O)NC[C@H](c1ccccc1)C1CC1)c1ccccc1	814419975	GMPXIPXHZNIONQ-GOSISDBHSA-N	309.413	3.531	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cc2c(F)cccc2s1	817010414	AMPQGFPFKJEPBK-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CCc1cc(NC(=O)CCCC[C@H]2CCSS2)nn1C	817687855	NVYIFHDEDALAQE-LBPRGKRZSA-N	313.492	3.635	50	20	DHGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1ccc(OC(F)F)cc1	827181071	UVHVYXZRFCNTJY-BXUZGUMPSA-N	312.360	3.948	50	20	DHGD	
Cc1ccc(NNC(=O)NCc2nc(C)c(C)s2)c(Cl)c1	838502961	XRAZAJJRWHSJEQ-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
NCc1ccc(NCc2ccc(OCCCCl)cc2)cc1	841060397	YBHMDFHDMWXRNR-UHFFFAOYSA-N	304.821	3.765	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccnn2CC(C)C)c(C)c1	843263751	LGZJNJJKZTYRBD-MHWRWJLKSA-N	322.412	3.702	50	20	DHGD	
C[C@@]1(CNc2nc(C(F)(F)F)cs2)C[C@@H]1Br	856787475	NWZBNRUSCNZZTP-XNCJUZBTSA-N	315.158	3.747	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@]1(C)C[C@H]2CC[C@H]1C2	862000427	MIVVTXWIGFDPSM-MMPTUQATSA-N	322.840	3.523	50	20	DHGD	
CC(C)CC=NNC(=O)c1ccc(COc2ccccc2)o1	863967827	YMFWVRJJGBZESM-UHFFFAOYSA-N	300.358	3.620	50	20	DHGD	
Cc1cc[nH]c1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912582431	OGHWRPJELTYZNL-ZDUSSCGKSA-N	308.498	3.559	50	20	DHGD	
Cc1ccc(SCC(=O)NN=CCCc2ccccc2)cc1	916345823	NVMDXQUGXCQGHH-UHFFFAOYSA-N	312.438	3.822	50	20	DHGD	
COc1ccc2cc(C(C)=NNC(=O)CC(F)(F)F)ccc2c1	917551366	UOBNKTSEBYDYPD-UHFFFAOYSA-N	324.302	3.641	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(Cl)c1)c1ccc(F)c(F)c1	1319085245	ZIEWBLVSSUGDDF-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(Sc2ccccc2)CC1	1322930097	SVFAGFFBSTVASB-UHFFFAOYSA-N	320.364	3.733	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045315	STHORSULYPHEQS-NWDGAFQWSA-N	317.389	3.709	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)ccc1O	7157779	QCMTUTXTNIFQDU-OQLLNIDSSA-N	322.364	3.563	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	41672713	CWFCCCMUVIXNDL-QIPRVMPFSA-N	306.365	3.567	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3cccc(C#N)c3)n2)cc1	58246087	JVZNHTYMXXPLOI-YVLHZVERSA-N	312.332	3.981	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)c1sccc1-c1ccccc1	71016975	RIUFNGFUDJHADN-UHFFFAOYSA-N	318.398	3.585	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cccc(Oc2ccccc2)c1	101462750	VXAKKDNRAPADFA-OQLLNIDSSA-N	312.332	3.646	50	20	DHGD	
COc1ccc(-c2nc(C)c([C@H](C)NC=C(C#N)C#N)s2)cc1	113861867	XYUBXMSFPWZXIZ-NSHDSACASA-N	324.409	3.709	50	20	DHGD	
COc1ccc(-c2cncc(C(=O)NNc3ccccc3)c2)cc1	135857354	IDZUKMTVUUEJDT-UHFFFAOYSA-N	319.364	3.514	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc2c(cc1SC)OCCO2	265945524	KGNNOYCLOLXKQH-NUBYWOLOSA-N	317.410	3.702	50	20	DHGD	
Cn1cnc2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)ccc21	272788532	GYXFMDQNKMVQSR-UHFFFAOYSA-N	322.412	3.628	50	20	DHGD	
CC(C)c1nn(C)cc1C(=O)NNc1ccc(C(C)(C)C)cc1	272995596	NPMSIEUAMAKSGY-UHFFFAOYSA-N	314.433	3.598	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1ccc(OC(F)F)cc1	280461721	MDQUGPIZFFICSE-UHFFFAOYSA-N	310.300	3.761	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(N(C)C)cc2)cc1	729809456	LUYPPZQMAUPAIH-LDADJPATSA-N	320.392	3.711	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)c1cccc2ncccc12	730146058	CVJVIFKNQHBJLT-UHFFFAOYSA-N	315.442	3.872	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C[C@H](C)CC)c1C	731998278	SGSYESQJYYCXMH-JVVDOCDTSA-N	315.461	3.926	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C)cc1O)c1ccc(Cl)s1	733203333	DRMKTDVYDYGKBP-UHFFFAOYSA-N	322.817	3.960	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1ccc(O)c(Cl)c1	734093978	BXBCFDNKCFCCRY-UHFFFAOYSA-N	316.788	3.784	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2o1)c1ccc(O)c(Cl)c1	734095053	ZCKPKASSUSCACN-UHFFFAOYSA-N	314.728	3.556	50	20	DHGD	
O=C(NNc1nccc2sccc12)[C@@H]1CCCc2ccccc21	734248417	MJHYGICJLCNGTJ-CQSZACIVSA-N	323.421	3.860	50	20	DHGD	
Cc1ccccc1COc1c(C)cc(/C=C(/C#N)C(N)=O)cc1C	734833916	UFHDJNGXUIHRJT-ZDLGFXPLSA-N	320.392	3.583	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C1CCC1	747628585	PBYZFSNKWCAHRB-CQSZACIVSA-N	310.397	3.899	50	20	DHGD	
CC(C)[C@H]1CCCC1=NNC(=O)[C@H](C)Oc1ccccc1F	747742604	WWEPPYGDNKBJEK-QWHCGFSZSA-N	306.381	3.521	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(Br)cc2F)CCC1	748212958	CLQUKEMLINQMQO-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)OC1CCCCCC1	748571519	CDENMKCSZOIMFR-ZDUSSCGKSA-N	308.397	3.705	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc2ccccc2c1O	752173791	ASBFGHBZWLFIRM-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
CC1(c2ccccc2)CCC(=NNC(=O)CC(F)(F)F)CC1	766697040	ZPUBBYAERSNFSL-UHFFFAOYSA-N	312.335	3.943	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCc2cccc(F)c2C1	767773574	HQRQRVGJVLHFQG-WSVATBPTSA-N	323.327	3.657	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cnn(-c2ccccc2)c1	769583416	BVKRWMAZKLTPKE-CABCVRRESA-N	324.428	3.804	50	20	DHGD	
CCCc1ccccc1NC(=O)NNc1nccnc1C(C)C	770133484	HSIGDOAVGHTUFJ-UHFFFAOYSA-N	313.405	3.701	50	20	DHGD	
CC[C@@H](C)[C@H](NC(=O)NNc1ccccc1Cl)C(F)(F)F	772530752	IQTVEWLSCTYELW-KCJUWKMLSA-N	323.746	3.943	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCc3c(Cl)cccc32)cc1	776222782	VOWULYYMJUVPFW-OAHLLOKOSA-N	300.789	3.822	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2cc(Cl)cs2)cc1C	782136147	QCUMHQMKICSDCG-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCC2)[C@@]1(C)CCCO1	782171368	WVVMUBQMVQFIHG-QGZVFWFLSA-N	320.458	3.692	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CC[C@H](CC)CC1)c1ccccc1	782468267	CJWGXHSYIISCMQ-XIRDDKMYSA-N	316.445	3.544	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1ccccc1F	790216056	TZGXIOSGCPGOLG-OWBHPGMISA-N	317.323	3.801	50	20	DHGD	
CSSCCNC(=O)c1nc(C)sc1-c1ccccc1	791152817	PRENKOFKDSXXKX-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1cc(F)c(F)cc1F	793712109	BNKIQZIRWJRFON-VHSXEESVSA-N	300.324	3.763	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(Cl)nc(Cl)n1C	794954156	PWAOPMPROIDZHO-VURMDHGXSA-N	300.189	3.639	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(O)ccc2Cl)c(C)c1	810452576	RCACFGMQOFCQJI-UHFFFAOYSA-N	304.777	3.728	50	20	DHGD	
CC(C)[C@@H](Oc1ccc(Cl)cc1)C(=O)NNc1ccccc1	812458063	UDOJRIUKMLJKDV-MRXNPFEDSA-N	318.804	3.887	50	20	DHGD	
COc1cccnc1NC(=O)NNc1c(C)cccc1C(C)C	812960704	GVDYVCIPFDOVCR-UHFFFAOYSA-N	314.389	3.671	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)Cc1c[nH]c2ccccc12	814747271	NJSKPMHOHWKIOS-OAHLLOKOSA-N	322.412	3.532	50	20	DHGD	
CCCC(=NNC(=O)CCCc1ccccc1)c1cccnc1	814833310	GAWPAMUQVOWFRA-UHFFFAOYSA-N	309.413	3.725	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2C[C@@H](C)CC[C@H]2C)cc1OC	834929613	QSMBZMGBFUFJDA-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(C)cc1OC)c1ccccc1	834956677	BSBKTAHMWSBWQX-KRWDZBQOSA-N	310.397	3.648	50	20	DHGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1cccc(C2CC2)c1	838625094	BLRQYRPICHATNZ-CYBMUJFWSA-N	320.396	3.823	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C(F)(F)F)C1)c1cccc(Cl)n1	853410292	IUNHOQKMSARQOL-MRVPVSSYSA-N	319.714	3.573	50	20	DHGD	
C[C@H]1CC(=NNC(=O)OCC(F)(F)F)c2ccsc2S1	853430248	BACZYUUYQCUEII-LURJTMIESA-N	324.349	3.625	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cnc(Cc2ccccc2)n1	853731724	PECPAUIDDOUYQS-UHFFFAOYSA-N	317.509	3.891	50	20	DHGD	
CC(C)[C@@H](CC(F)(F)F)NC[C@@H](CBr)C1CC1	859269632	FALGHGYHPUWKTI-GHMZBOCLSA-N	316.205	3.974	50	20	DHGD	
COc1cc(F)cc(OC)c1/C=C(/C#N)C(=O)C1CCCC1	865222068	NSUMVXRBVDZDJA-GHXNOFRVSA-N	303.333	3.509	50	20	DHGD	
O=C(NN=C1CC2(CCCC2)C1)c1cccc(Br)c1	901194920	AUQWNKLBBWQURP-UHFFFAOYSA-N	321.218	3.889	50	20	DHGD	
CSC1(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)CC1	912581494	GIMXAVUCJNJEKP-LBPRGKRZSA-N	315.555	3.505	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=Cc1cc(C)c(C)cc1C	916303963	WPJPFDQPIDCNGY-UHFFFAOYSA-N	324.424	3.703	50	20	DHGD	
Cc1csc(CCCCNC(=O)c2cccc(CCl)c2)n1	1120598489	PQXBVJUQDMXAGD-UHFFFAOYSA-N	322.861	3.943	50	20	DHGD	
C[C@H](NC(=O)C1CCC(Cl)CC1)[C@H](c1ccccc1)N(C)C	1123691300	IUGJMPQOCQDXRJ-YJNKEBTESA-N	322.880	3.592	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNC(=O)c1cccc(Cl)c1	1339064360	BLKZRHWOOIEVTJ-GFCCVEGCSA-N	322.836	3.708	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2C)c1C	24737442	ODJYLOXBHUEPDI-LDADJPATSA-N	321.424	3.836	50	20	DHGD	
O=C(CCc1nc2ccccc2s1)NNc1ccc(F)cc1	66282094	JMIVKKVMKBINFX-UHFFFAOYSA-N	315.373	3.511	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1csc2c1CCCC2	106923502	HLWSXSYUAUGDPG-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
Cc1nc(CCC(=O)NNc2ccccc2)oc1-c1ccccc1	111550142	NIBDGJSHRUWOAD-UHFFFAOYSA-N	321.380	3.726	50	20	DHGD	
C[C@H](CCC(=O)NNc1ccncc1Cl)c1ccccc1	124092172	GXEGKBCRJCQVNM-GFCCVEGCSA-N	303.793	3.762	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	125504075	NSNOKCAZTILRLZ-YQYFLZKSSA-N	307.397	3.844	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@H]1c1c(F)cccc1F	160882049	YBXCGYVHHJMNJX-VXGBXAGGSA-N	320.314	3.659	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	173144145	CUUKVKBZGJSKET-INIZCTEOSA-N	304.340	3.848	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cccc(Cl)c1F	177816789	ZLVMDOOIIMFFMN-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(NNc1ccccc1F)c1scnc1C1CCCC1	184013988	LKAQWCPBUQTBJN-UHFFFAOYSA-N	305.378	3.697	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1C(F)(F)F	184374255	VUGDUAMKMJGOFL-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	194324214	LTTVBPMQJVMYLQ-PTNGSMBKSA-N	322.364	3.645	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccc(C)cc1	211455772	JTKCKIZAUNNDSE-LGMDPLHJSA-N	316.360	3.553	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc(OC)c2OC)c1	212137748	AKFHRKROGRTGJQ-GDNBJRDFSA-N	323.348	3.502	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccccc1F	212890194	PMZZQERRXXLXMK-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
CCC(=NNC(=O)c1cccnc1)c1ccc(Cl)c(Cl)c1	254746445	ASTDEMMOMRJDFB-UHFFFAOYSA-N	322.195	3.933	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2F)c1	490782546	JZSPJAHECWPJLQ-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
CSc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	490877046	LFCSGAMANLTPAM-JLHYYAGUSA-N	310.378	3.660	50	20	DHGD	
CC1CCC(=CC(=O)NNC(=O)c2cccc3ccccc23)CC1	741576870	SBAZCYFGZHQPMJ-UHFFFAOYSA-N	322.408	3.737	50	20	DHGD	
O=C(NN=Cc1cccc(Cl)c1Cl)NC1CCCC1	743531718	APNIDWXJVJRPMI-UHFFFAOYSA-N	300.189	3.569	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)c1ccccc1	748583815	IOEXDKHNTVZEPE-GDNBJRDFSA-N	322.320	3.783	50	20	DHGD	
CC1(CNC(=O)NNc2c(Cl)cc(F)cc2Cl)CC1	768087701	WZFUGGMPAGPWSS-UHFFFAOYSA-N	306.168	3.559	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)c1c[nH]c2ccccc12	776720897	UUXIGDMLQYCRKH-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)c1cc2ccc(F)cc2s1	778449838	IEULLKSKTYOYFH-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)C1CCCC1)O[C@@H](C)C2	781554316	MIRGFHCLZADNEA-WIJRQFRKSA-N	311.381	3.685	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1CCCCS1	783591970	SSAFUOPVSILFMY-LLVKDONJSA-N	322.327	3.573	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1c[nH]cc1-c1ccccc1F	786830539	UFQKWWLVSJCPQW-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2	794879577	SGNOHGDIMXXUBK-WZUFQYTHSA-N	305.761	3.981	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@H]1CCF	794889523	ZBOCUNXOCUPUEZ-JTQLQIEISA-N	312.772	3.594	50	20	DHGD	
CCCN(N=C(C)c1ccc2n[nH]cc2c1)C(=O)OC(C)(C)C	794997716	CXDOVGPLAFVBHK-UHFFFAOYSA-N	316.405	3.934	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2ccccc2n1	799757979	RDNXCECTSNFRSO-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCC[C@@H]3CCCC[C@H]32)c1	802832145	HHHVTKZVEHDIFG-JCURWCKSSA-N	320.408	3.884	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](C)C[C@H]1c1ccco1	807229305	ULRKTXSSMPUWII-RYUDHWBXSA-N	314.476	3.773	50	20	DHGD	
COc1ccc(NC(=O)NN=C/C=C/c2ccc(F)cc2)cc1	814999705	LDAYTWJDDCZULE-BJWACITRSA-N	313.332	3.655	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ncoc1C1CC1	816472823	SYWJAEPTCOXCNJ-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	826799331	CREZLJSQXKLDJK-DTWKUNHWSA-N	321.368	3.821	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2cccc(C(F)(F)F)n2)CC1	844133945	HGJBDOUSUNJXIO-NSHDSACASA-N	313.323	3.680	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)[C@@H](C)CO1	846435246	VWALBQLCJCVHHH-BFHYXJOUSA-N	317.520	3.726	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@@H]2C[C@H]3CC[C@H]2O3)C1	852524112	NSILJJREMCISTG-XUWVNRHRSA-N	311.542	3.650	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)c2nc(C)cs2)c(Cl)c1	854843071	IFOSTVGAFALOKT-JTQLQIEISA-N	309.822	3.660	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)C1CCC(F)(F)CC1	855618405	DTWYZYSOOSCNME-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2ccc([C@@H]3C[C@H]3C)o2)cc1F	856230905	HRDRDWSHVNTTLW-IUODEOHRSA-N	316.376	3.926	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@@H](C)C2)c(C(F)(F)F)c1	857265427	MXDQVKQXMFTIIR-NXEZZACHSA-N	316.323	3.593	50	20	DHGD	
C=CCC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCCCC1	857385659	KCQBXCPMGOWEIY-OCCSQVGLSA-N	314.267	3.803	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1[C@H](C)O[C@@H](C)[C@H]1C	861791144	BSLIRCFXLXMVCP-HOSILWTGSA-N	304.434	3.621	50	20	DHGD	
O=C(NNc1cccc(F)c1Cl)[C@@H]1CCCCC1(F)F	862507513	HBTMCWBUFHZLOR-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
CCOC(C)(C)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	869134534	BAWMKOFSUWNCPK-UHFFFAOYSA-N	324.730	3.617	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)CCc2ccc(F)cc2)cc1	878724951	LRDVRPJBFXFNAH-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
CO[C@H]1CCCCC1=NNC(=O)c1ccc(Cl)cc1Cl	915953019	NYURMMGCCXUQAZ-ZDUSSCGKSA-N	315.200	3.668	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccc2)cc(C)c1OC(F)F	916248983	WXTWQAMNAHYAAR-UHFFFAOYSA-N	318.323	3.669	50	20	DHGD	
CN(NC(=O)NCCC(C)(C)c1ccccc1)c1ccccc1	920058509	LCKLOHFSMXGDQC-UHFFFAOYSA-N	311.429	3.705	50	20	DHGD	
Cc1cc(OC(=O)c2cnc(C(C)(C)C)s2)ccc1[N+](=O)[O-]	920217968	NXBBSIWNSYNOPO-UHFFFAOYSA-N	320.370	3.876	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2n1)c1ccccc1Cl	1084079234	SBGYABDJKKGWST-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCS[C@@H]2CCCC[C@@H]21	1123657291	KDQYRXILBKBCCN-CLRIEMFWSA-N	301.883	3.671	50	20	DHGD	
O=C(Nc1ccccc1-c1cn[nH]c1)C1CCC(Cl)CC1	1123783044	MLSQBQKJKLGGLU-UHFFFAOYSA-N	303.793	3.813	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	1318370219	ADLQCYDZHKJMMG-LGMDPLHJSA-N	321.376	3.810	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2F)c(C)n1C1CC1	1342539122	GSYPQWMLQZEAQB-UHFFFAOYSA-N	321.783	3.989	50	20	DHGD	
Cc1c(NNC(=O)C2(CC(C)C)CCCC2)cccc1C(=O)O	1600051361	RUHFYBYYVKCHEH-UHFFFAOYSA-N	318.417	3.743	50	20	DHGD	
N#C/C(=C\c1cccnc1)C(=O)Nc1cc(Cl)cc(Cl)c1	5070136	RVKWEBPFMFFYJJ-NYYWCZLTSA-N	318.163	3.934	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	23218556	DZAWVWVOYSXFJP-NTEUORMPSA-N	316.357	3.968	50	20	DHGD	
O=C(c1cccc(CCl)c1)N(Cc1cccnc1)C1CC1	37829003	XUUSGSCLZSLASN-UHFFFAOYSA-N	300.789	3.625	50	20	DHGD	
Cc1c(C(C)(C)C)nn(-c2ccccc2)c1NC=C(C#N)C#N	107067238	YFCIYDKYPDNSJB-UHFFFAOYSA-N	305.385	3.821	50	20	DHGD	
O=C(CCSc1ccccc1Cl)NNc1ccccc1	120486380	RLBNJABDKINIJF-UHFFFAOYSA-N	306.818	3.966	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1ncc(Cl)cc1Cl	132430470	RWIWOKSDUUYNHF-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
CC[C@](C)(NC[C@H](C)CBr)c1nc(C)cs1	134001831	VJZKECUXYGLVMM-SKDRFNHKSA-N	305.285	3.697	50	20	DHGD	
C[C@@H](CBr)CN[C@H](C)c1cccc(-n2cccn2)c1	152789786	HBCHLKHENXNHGN-QWHCGFSZSA-N	322.250	3.554	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2ccccc2OC(C)C)c1	158613364	OIHOGYWPSHXMOB-UHFFFAOYSA-N	312.413	3.776	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	178865185	YQQCBGRGKVZYMD-YCRREMRBSA-N	322.677	3.526	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cn(C)nc1C(C)(C)C	180254475	GMCLFPSFHXTCLF-UVTDQMKNSA-N	322.412	3.572	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cn1	181127549	LYAFBHBTHMDMAJ-UHFFFAOYSA-N	313.401	3.535	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C(C)(C)c1ccccc1	181283595	CDRMQCYSNKKEFE-UHFFFAOYSA-N	319.408	3.964	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\C2=Cc3ccccc3OC2)c1	198301464	CEOKOVXVUOVUCO-YVLHZVERSA-N	317.344	3.804	50	20	DHGD	
Cc1cccc2cc(/C=C(/C#N)C(=O)NC(C)C)c(Cl)nc12	211616209	KAMZXZJGDPLMLI-ZSOIEALJSA-N	313.788	3.628	50	20	DHGD	
CCN(C[C@@H](C)CBr)[C@H](C)c1ccc(C#N)cc1	248725772	PFTAUUOWNKHVRW-QWHCGFSZSA-N	309.251	3.972	50	20	DHGD	
C=C(CBr)CN(CC)[C@@H](C)c1ccc(C#N)cc1	279522305	SVMGEOHEGHKFRG-ZDUSSCGKSA-N	307.235	3.892	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)C1CCCCC1	303098013	GLXJUEPEXXLQBI-GFCCVEGCSA-N	322.836	3.708	50	20	DHGD	
C[C@@H]1C[C@H](N2CCCC2)CN1CCO[Si](C)(C)C(C)(C)C	367362380	WXARMJYPTQEZIC-CVEARBPZSA-N	312.574	3.567	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccc(OC)cc2)o1	490692679	HMYWSBQKOXHZMZ-JMRXEAOASA-N	324.380	3.635	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2c(Cl)cccc2Cl)c1	490812497	LGAPDWDPTDIDBM-YRNVUSSQSA-N	320.179	3.878	50	20	DHGD	
CCCN(N=C1CC[C@H](CC(=O)O)[C@@H]1C)C(=O)OC(C)(C)C	495589486	AKYKJHPGMLBMAF-NWDGAFQWSA-N	312.410	3.510	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1F)C12CC3CC(CC(C3)C1)C2	607743780	OHZMDFQNSYHHNP-UHFFFAOYSA-N	318.367	3.631	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@H]21	729638195	FIDYZRNMUDXEHX-VQHPVUNQSA-N	321.424	3.570	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)cc(C)c2)cc1	734304938	BNCJEPPFTRBVHC-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CC[C@H]1CCCC(=NNC(=O)CCc2ccc(OC)cc2)C1	734981132	ZVJGJBNACSUHQZ-AWEZNQCLSA-N	302.418	3.700	50	20	DHGD	
N#C/C(=C/c1occc1Br)c1nc2ccccc2[nH]1	735305623	WJVPLSVSKFGFPW-CLFYSBASSA-N	314.142	3.983	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(F)cc1)c1ccc(F)cc1F	739044692	BBJJGYVUSSRGMJ-HNNXBMFYSA-N	323.318	3.881	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=C/C=C/c2ccccc2)cc1	741765425	ZFDNCCNRARERBR-QZAKLXLVSA-N	308.385	3.573	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(F)cc1OC(F)F	748075623	WJFGRVCLMLYBDY-UHFFFAOYSA-N	318.295	3.676	50	20	DHGD	
Cc1ccc(SCCC(=O)NNc2c(F)cccc2F)cc1	748171384	PLMZQGBWAXTVBG-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(OCC(F)(F)F)cc1)C1CC1	748704688	NISGJZFUYVCWQS-JTQLQIEISA-N	316.323	3.507	50	20	DHGD	
ICCN1CCCC[C@@H]1c1ccccc1	759438691	VHSLWTMKDRQRQF-CYBMUJFWSA-N	315.198	3.649	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=C1CC(C(F)F)C1	766017913	UXTNSFKMPWIJDM-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
CC1(c2ccccc2)CCC(=NNC(=O)Cc2ccncc2)CC1	766707167	UUGPSYAQABQWKH-UHFFFAOYSA-N	321.424	3.628	50	20	DHGD	
Cc1ccc(CC(=O)NNc2c(Cl)cc(F)cc2Cl)o1	767403165	XBKQBGCLLWZBLF-UHFFFAOYSA-N	317.147	3.720	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc(Cl)c1O	768324368	ZTINGXBQDMHBIN-SNVBAGLBSA-N	320.614	3.794	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	768339416	XOJVXGRLNKEYRG-GFCCVEGCSA-N	323.393	3.653	50	20	DHGD	
CCc1ccccc1OCC(=O)NNc1c(F)cccc1Cl	770198423	RWIBGCWYUORFCU-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCCN1CCCCC1	770321865	ATZFXGZMOCQAGG-AWEZNQCLSA-N	317.520	3.730	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2c(C)cc(C)cc2C)n1	771026449	BOTKJRRDCOWWBZ-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
CC/C(C)=C(\C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	780939957	LLOCNHFKLPVTOI-MDZDMXLPSA-N	320.780	3.580	50	20	DHGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)Cc2ccccc2OC)C1	783832788	UUJSJYBSLGYYAU-HUUCEWRRSA-N	302.418	3.556	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCCOC1CCCCCC1	785365293	LGTSGYRRWXUKTB-VKAVYKQESA-N	313.397	3.876	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cc(Cl)ccc1Cl	790596541	JALBXKRAUXPIHD-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CSSCCNC(=O)c1sc(-c2ccccc2)nc1C	791096846	IKEDYCKLAZZQFV-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1cc(C)ccc1C	798981747	QRFPRENGZNVNKN-UHFFFAOYSA-N	304.390	3.921	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=C1CCC[C@@H]1CCCF	800805914	IBRCYGPZQPFRDY-OAHLLOKOSA-N	320.408	3.650	50	20	DHGD	
CC(C)c1[nH]ccc1C(=O)NNc1ccc(Br)cc1	802825912	XMRBGVRTVLUTHE-UHFFFAOYSA-N	322.206	3.658	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NCC(Cl)Cl)s2)o1	808129367	QZYYCMQQNJTLLD-UHFFFAOYSA-N	304.198	3.850	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3c2OCO3)cc1C	809145608	BFRMLYLMCPTBJH-CXUHLZMHSA-N	305.333	3.822	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(C)nc1C)c1ccccc1	814845768	VERKQLHRLUAIPX-KRWDZBQOSA-N	309.413	3.732	50	20	DHGD	
CCc1ncc(C=NNC(=O)Nc2ccc(Cl)cc2)s1	815005576	XURRMCVYSNGLOD-UHFFFAOYSA-N	308.794	3.515	50	20	DHGD	
CCOc1ccc(NNC(=O)CCSc2ccccc2)cc1	817925907	WEKVTGJEDRANTD-UHFFFAOYSA-N	316.426	3.711	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(C(F)F)nc2)c(C)c1	847600059	ASQKLDWXSFANQX-UHFFFAOYSA-N	305.328	3.701	50	20	DHGD	
Cc1ccc2c(CC(=O)N(C)CC(Cl)Cl)coc2c1	848080260	GDHHRJSFZZOICX-UHFFFAOYSA-N	300.185	3.546	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)[C@@H]1C[C@H]1c1cccs1	853428660	PYNTWQPJVFRSFX-DTWKUNHWSA-N	306.309	3.516	50	20	DHGD	
Cc1ccc2c(c1)CN(C(=O)[C@@H](Br)C(C)(C)C)CC2	855379938	YSVZUJTZWPIPLD-CQSZACIVSA-N	324.262	3.689	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(C(C)(C)C)n2)cc1F	856229671	SKGADSBZCCGHTF-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1nccnc1C1CCC1)C(C)C	857258112	MFGKDNXSRZSDOL-CQSZACIVSA-N	304.438	3.650	50	20	DHGD	
COc1cc(CNC[C@@]2(C)C[C@@H]2Br)ccc1Cl	858196419	PQRGWAYFGZOMSD-QWHCGFSZSA-N	318.642	3.612	50	20	DHGD	
CCC[C@@H](OCC)C(=O)NNc1cccc(Cl)c1Cl	861957410	XUHTUPTUYFDKTJ-LLVKDONJSA-N	305.205	3.642	50	20	DHGD	
CCC[C@H](CC1CCCCC1)C(=O)NN[C@@H](C)C(F)(F)F	862313550	JIJNGZDADDWKHC-WCQYABFASA-N	308.388	3.945	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1cccc(F)c1Cl	862509645	NYICFTRGDAKYES-CYBMUJFWSA-N	314.788	3.660	50	20	DHGD	
O=C(CSCc1ccc(F)cc1)NNc1ccc(Cl)cc1	865976728	QZZBVTIZJPQQDK-UHFFFAOYSA-N	324.808	3.856	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3cc(C)cc(C)c3)[nH]c2c1	915259136	RYDWIKOZFZLTLG-UHFFFAOYSA-N	309.369	3.550	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(OC)cc1	916253951	VCDWDBUVRWQCIX-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)c1ccc(F)cc1Br	917553491	XSJHBCAHSYTCCT-MRVPVSSYSA-N	315.186	3.740	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2ccccc2n1	920975906	ZBKUEMGIZYODMN-RVDMUPIBSA-N	317.323	3.920	50	20	DHGD	
CCC(CCc1ccc(Br)cc1)=NNC(=O)C1CC1	921139087	HWFLTVVSYKSIOF-UHFFFAOYSA-N	323.234	3.674	50	20	DHGD	
Cc1cc(NNC(=O)N[C@@H](C)c2cnccc2C)ccc1Cl	921757050	DKZMCZWFAKSNBU-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
CC(C)(C)OCc1cccc(NC(=O)NNc2ccccn2)c1	933212777	IENIQAUBULUNMW-UHFFFAOYSA-N	314.389	3.545	50	20	DHGD	
CC(=O)c1ccc(CC(=O)NNc2ccc(C)c(Cl)c2)cc1	1115858454	RSDJQGKWRAKSBY-UHFFFAOYSA-N	316.788	3.537	50	20	DHGD	
C[C@H](C[C@H](O)c1ccccc1)NC(=O)c1cccc(CCl)c1	1120707870	PFODISHXUJSSGB-DYVFJYSZSA-N	317.816	3.667	50	20	DHGD	
Cc1c(C(=O)O)csc1NC(=O)c1cccc(CCl)c1	1600003133	GIKHSAWSELJVBV-UHFFFAOYSA-N	309.774	3.746	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)ccc1Cl)c1nc2ccccc2[nH]1	1610618664	KHUGMJFYKAVYAU-WQLSENKSSA-N	323.739	3.979	50	20	DHGD	
CCCCCCOc1ccc(/C=C(\C#N)C(=O)NC2CC2)cc1	6852371	WVLFWTZEEYUNHI-DTQAZKPQSA-N	312.413	3.831	50	20	DHGD	
Cc1nc(C)c(C(=O)NN(c2ccccc2)c2ccccc2)o1	72862154	HONBCAJGFGKVQN-UHFFFAOYSA-N	307.353	3.775	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@@H]1c1c(F)cccc1F	120096607	JOCVCIIJOZTCJT-RYUDHWBXSA-N	322.742	3.865	50	20	DHGD	
CC1(C(=O)NNc2cccc(C(F)(F)F)n2)CCCCC1	121651934	ITLLCONCIQKNCI-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)s1	121740712	AFQKXECNYDPRJW-LCYFTJDESA-N	312.394	3.919	50	20	DHGD	
Cc1cccc(NNC(=O)CCSc2ccccc2F)c1	174821498	PGAUXYCJNZGZCN-UHFFFAOYSA-N	304.390	3.760	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cccc(CC#N)c2)cc1	181139918	PATCTVVINYNSBE-UHFFFAOYSA-N	307.397	3.807	50	20	DHGD	
Cc1ncc(C(=O)NN(c2ccccc2)c2ccccc2)c(C)n1	182256286	XXZWPVBAPXABFA-UHFFFAOYSA-N	318.380	3.577	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc2scnc2c1	182587370	UCLCSPUTEWOIDU-KPKJPENVSA-N	323.352	3.981	50	20	DHGD	
CCOc1ccccc1C=NNC(=O)c1cccc(Cl)c1	252463211	ZQCSVSUWNPYHQZ-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	aggregator
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccccc2F)cc1	490701474	XCVUBBANWSSMDN-RERGGYADSA-N	324.355	3.619	50	20	DHGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	727945354	OQZHCDQAWDKTQO-SWLSCSKDSA-N	320.393	3.580	50	20	DHGD	
COc1ccc([C@@H]2CCCCC2=NNC(=O)C(C)C)cc1F	732711672	RMTKFZOMUAWYTF-ZDUSSCGKSA-N	306.381	3.620	50	20	DHGD	
CCCCC(CC)=NNC(=O)Cn1c(CC)nc2ccccc21	732924306	WLXIOCPHYSOHJD-UHFFFAOYSA-N	314.433	3.671	50	20	DHGD	
CC(=NNC(=O)COc1ccc2ccccc2c1)C1CCCC1	733076066	DKMSQCQBXZRSQG-UHFFFAOYSA-N	310.397	3.901	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC[C@H](C)C(C)(C)C)cc1	734444368	YEDIBZIRIGNKED-LUYJPIOASA-N	314.429	3.791	50	20	DHGD	
O=C(CCC1CCCC1)NNc1ncccc1C(F)(F)F	740093409	OBIYGLTWHDBJJK-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C/C3=Cc4ccccc4OC3)nc12	741473489	QSRQODBVBNRPAS-OQLLNIDSSA-N	314.348	3.649	50	20	DHGD	
O=C(NNC(=O)C1CCCCCC1)c1cccc2ccccc12	741576448	TZSUTBGNNPIDKZ-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](Cc2ccccc2)C(C)C)cc1	746886109	IRPNYMAKAGZSBX-SFHVURJKSA-N	312.413	3.653	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CC23CCCC3)ccc1Br	747519331	YQERMWBKXRAQLF-LBPRGKRZSA-N	323.234	3.781	50	20	DHGD	
Cc1oc(-c2cccs2)nc1C(=O)NNc1cccc(F)c1	748098909	JPGVLYJCLCBIGA-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCc1cccc(F)n1	748199987	DEOBPGVYCKOTET-LBPRGKRZSA-N	314.451	3.551	50	20	DHGD	
CC(C)(CNC(=O)NNc1ccc(F)cc1)c1ccccc1F	750336443	DEXXDPBXOTYUGU-UHFFFAOYSA-N	319.355	3.569	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(C)ccc1OC(F)F	756782653	FVWSRSTTXMGCGQ-UKTHLTGXSA-N	309.312	3.847	50	20	DHGD	
N#C/C(=C\c1ccc(OCc2ccncc2)cc1)c1ccncn1	758912600	OCAHWQTXFRPDRV-GZTJUZNOSA-N	314.348	3.515	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(Oc2ccccc2)o1	779708353	ULODRDLEEUGKHS-OWBHPGMISA-N	310.353	3.895	50	20	DHGD	
COc1cc(NNC(=O)c2cc3ccccc3[nH]2)ccc1Cl	790170711	NBQIGNDBOQCUBJ-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)[C@H]1CCCOC1	794881301	CBAYRBPOHWDWIX-OGGBREFQSA-N	310.180	3.896	50	20	DHGD	
CC1(C(=O)COC(=O)CCCC[C@H]2CCSS2)CC1	795388563	XIJJXPLNFPFEMV-NSHDSACASA-N	302.461	3.613	50	20	DHGD	
Cc1cc(OC(=O)c2oc(C(C)C)nc2C)ccc1[N+](=O)[O-]	796755694	GSANVCKLSZEUTN-UHFFFAOYSA-N	304.302	3.542	50	20	DHGD	
CCO[C@@H](CCNC(=O)NNc1c(C)cccc1CC)C(C)C	799598296	VRIQTDZEQIYUKF-INIZCTEOSA-N	321.465	3.635	50	20	DHGD	
CSc1ccccc1[C@@H](C)NC(=O)NNc1ccc(F)cc1	800735667	JCNFGGAWRHVMBA-LLVKDONJSA-N	319.405	3.935	50	20	DHGD	
CC(C)(C)C1CCC(=CC(=O)NNc2ncccc2F)CC1	804218880	JXFBYXAPAFRZHN-UHFFFAOYSA-N	305.397	3.827	50	20	DHGD	
CCCN(NC(=O)c1cc2ccccc2o1)C(=O)OC(C)(C)C	804594765	QJDNSSPYHMJFAQ-UHFFFAOYSA-N	318.373	3.725	50	20	DHGD	
CC(C)c1cccc(O[C@@H](C)C(=O)N(C)CC(Cl)Cl)c1	808246765	LHBOQXGXZFYOTL-NSHDSACASA-N	318.244	3.839	50	20	DHGD	
COc1ccc(NNC(=O)C2(c3ccc(C)cc3)CCC2)cc1	819876560	VETKQWSFRIPNGX-UHFFFAOYSA-N	310.397	3.569	50	20	DHGD	
CN(NC(=O)Nc1ccc2nc(C(C)(C)C)sc2c1)C1CC1	824211587	XHVHGCRQNFHTKG-UHFFFAOYSA-N	318.446	3.725	50	20	DHGD	
CC(C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-])=C1CCCC1	836823533	SWPAZBIZHAHNHJ-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2cccc(Cl)c2Cl)CC12CCCC2	838346596	VSZZRBPZMZCDFV-OAHLLOKOSA-N	324.211	3.911	50	20	DHGD	
CC(C)c1nnc(CN(C)CCO[Si](C)(C)C(C)(C)C)o1	844344273	VNQBDKKNBFZPFQ-UHFFFAOYSA-N	313.518	3.647	50	20	DHGD	
COC[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1	853000389	AMSICOPMMGZUQU-QQFZQELXSA-N	301.386	3.622	50	20	DHGD	
CC(C)(C)[C@@H]1CCCC(=NNC(=O)c2cccc(F)n2)CC1	853442345	OAPUUVPIMUITSG-GFCCVEGCSA-N	305.397	3.933	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1ccc2oc(=O)oc2c1	853698665	QWNQIPORDHWTLE-UHFFFAOYSA-N	310.422	3.787	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(Cl)cc1C(F)(F)F	854361037	LFYZKDPPGXQIOJ-UHFFFAOYSA-N	322.739	3.693	50	20	DHGD	
CC(C)c1cnc(CNC[C@@]2(C)C[C@H]2Br)s1	856808706	DFRMBVDHATYEAD-ZYHUDNBSSA-N	303.269	3.530	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2Cl)c(C2CC2)n1	885138721	INVLKGLLXUWVMG-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cc1cc2cc(NC(=O)[C@]3(C)C[C@H]3Br)ccc2[nH]1	906069603	YCRRLZNUUPKIRN-TZMCWYRMSA-N	307.191	3.588	50	20	DHGD	
Cc1cccc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	912580261	PNJBQOVZPHVIPO-AWEZNQCLSA-N	320.509	3.626	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CC[C@@H]2CCCC[C@H]2C1	915931051	DWLHGTJQDRUJLD-GJZGRUSLSA-N	324.428	3.719	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=CC2CCCCC2)c1C	916336993	VWFIUCBCHZYMPZ-OAHLLOKOSA-N	302.418	3.753	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC	917143403	JNQHQGSJJYAJMF-LCYFTJDESA-N	306.793	3.562	50	20	DHGD	
Cc1cc(NNC(=O)c2oc(C(C)C)nc2C)ccc1Cl	928339391	DPBLQAJHCGYGPW-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCCC(=O)OC(C)(C)C)cc1	1326427274	VAJRXWJNJXNQRS-UHFFFAOYSA-N	320.433	3.765	50	20	DHGD	
NCc1ccccc1NC(=O)CCCC[C@@H]1CCSS1	1341674931	HCTBHBHCZOIKNC-CYBMUJFWSA-N	310.488	3.798	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)CCCC(C)(C)C)c1ccccc1	110342560	KQJZQMZQXSBPOH-HNNXBMFYSA-N	304.434	3.544	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc2ccccc2[nH]1	120005562	JBWSZWWQLJZXDZ-UHFFFAOYSA-N	305.381	3.804	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2Br)c1	127618679	WCBPCTWOARJEQM-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
C[C@@H](CBr)CN1CCC(C(=O)c2ccccc2)CC1	133552583	UEWXRVOYSXXTTG-ZDUSSCGKSA-N	324.262	3.612	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2cc(F)c(F)cc2F)cc1	151940128	ULTVXFLAJXHMMK-UHFFFAOYSA-N	322.330	3.833	50	20	DHGD	
CC[C@@H](CC(=O)NNc1nc(C(F)(F)F)cs1)C(C)C	152925757	WEYZIIDIYDDBIA-QMMMGPOBSA-N	309.357	3.677	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(C(F)(F)F)c1)c1ccncc1	162116246	ADZLAZSNUMBPPR-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
N#C/C(=C/c1ccccc1C#N)C(=O)c1c[nH]c2cc(F)ccc12	179325228	DHJMYEKGDSKUNR-AUWJEWJLSA-N	315.307	3.969	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2ccc(C(C)(C)C)cc2)s1	181123878	AIUZBWBQYSHWKF-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(OC(F)(F)F)cc2)CCC1	189671894	ZUKDVOMPCGPDKB-UHFFFAOYSA-N	314.307	3.775	50	20	DHGD	
N#C/C(=C/c1cn2cc(Cl)ccc2n1)C(=O)Nc1ccccc1	255626170	MBAGUKSUARJUAP-WQLSENKSSA-N	322.755	3.533	50	20	DHGD	
N#C/C(=C\c1ccccc1C(F)(F)F)C(=O)[C@@H]1CCCOC1	281279899	XLBHHGNZYQVNNX-FMNNIJNLSA-N	309.287	3.608	50	20	DHGD	
COc1cccc(CCC(=O)NNc2cc(C)ccc2C)c1F	285889181	XJKYQRVYHNGPRN-UHFFFAOYSA-N	316.376	3.527	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2CC[C@H](C(C)C)CC2)c1	294047179	XWTWVZNXVLFYTL-SHTZXODSSA-N	317.433	3.551	50	20	DHGD	
Cc1ccc(-c2cccnc2)cc1NC(=O)NNc1ccccn1	376576761	UXQCYWUONITPEW-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)o1)C(=O)c1ccccc1OC(F)F	588384711	JBRSVAKCVTXUMX-YFHOEESVSA-N	314.247	3.543	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(N2CCCCCC2)cc1	725854464	JKWFJQYXBOXBOT-UHFFFAOYSA-N	324.428	3.549	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(OCC(C)C)cc1	730145025	OFUXZIADRARMSG-UHFFFAOYSA-N	310.397	3.794	50	20	DHGD	
O=C(NN=C/C=C/c1ccccc1)c1cccc2ncccc12	730146486	YDFWXJRRSQBIRH-LVRSFXBKSA-N	301.349	3.664	50	20	DHGD	
Cc1ccc(C(=O)NNc2nccc3sccc23)cc1F	734249652	GEOJXLFIJHTEPO-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3ccc4ncccc4c3)nc12	741470292	PRXOERIZFZZWDI-GDNBJRDFSA-N	311.348	3.879	50	20	DHGD	
COCc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)cc1	741848861	PHEPVMSHMGCHNU-GZTJUZNOSA-N	317.348	3.947	50	20	DHGD	
CC(C)NC(=O)NN=Cc1ccc(-c2ccc(Cl)cc2)o1	745009755	XIKLKSXAMNKHBS-UHFFFAOYSA-N	305.765	3.642	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ccc(C#N)cc2)cc1Cl	748106351	MISRUDQEYKWICQ-UHFFFAOYSA-N	313.788	3.596	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1Cc2ccccc21	754154317	XNFSXDZTTYUHAC-GFCCVEGCSA-N	324.277	3.628	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)c1cc(-c2ccccc2)on1	755628930	YKQMASKPORXURD-UHFFFAOYSA-N	319.364	3.722	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccoc1Cl	765566815	XNSMMGYORSSWQJ-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)OC[C@@H](C)CBr	770368777	YYURMWDXMCQCFI-NSHDSACASA-N	315.207	3.662	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(F)c(Cl)c1	775389032	HLKVZCGUIIEASP-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1nc2ccccc2cc1C	777477737	IXXLOEFKCAARNE-ZDUSSCGKSA-N	317.458	3.908	50	20	DHGD	
O=C(NC[C@@H]1CCCS1)NNc1cc(Cl)cc(Cl)c1	790425613	UPMOVVLVQYPSKP-NSHDSACASA-N	320.245	3.515	50	20	DHGD	
O=C(NN=CCc1cccc(Cl)c1)c1ccc(O)c(Cl)c1	794912533	HAILAAXHCGSNHJ-UHFFFAOYSA-N	323.179	3.657	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccnn1-c1ccccc1OC	797405807	INCBDHZFBMDKIN-FQZGENGWSA-N	323.396	3.793	50	20	DHGD	
COc1cnc2ccccc2c1C(=O)NNc1cc(C)ccc1C	801929808	VJQVZWVBFGBDCS-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3ncccc3Cl)c2c1	806860810	BWOVVPCQRKVWSV-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
CO[C@@H]1C[C@H](NCc2ccc(OCCCCl)cc2)C1(C)C	811483983	SVVMVBXMGRRXOA-JKSUJKDBSA-N	311.853	3.597	50	20	DHGD	
CC[C@@H](CSC)NCc1ccc(OCCCCl)cc1	811486182	KGDDKFNUECZSCM-AWEZNQCLSA-N	301.883	3.926	50	20	DHGD	
Cc1ccc(C(=O)C(=O)NNc2c(C)cccc2C(C)C)cc1	812766349	FPHVYPIUXWYRTL-UHFFFAOYSA-N	310.397	3.753	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1cc(F)ccc1Cl	814631622	IOEUINKYAMRYBG-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1ccccc1Br	827175814	IEMWBBZIXJJJOA-GHMZBOCLSA-N	311.223	3.574	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)C2CCCC2)c(-c2ccc(F)cc2)n1	834434894	WNYHTAMHWUCMDK-GDNBJRDFSA-N	323.371	3.892	50	20	DHGD	
CSC1(CNC(=O)NNc2cccc(Cl)c2Cl)CC1	838574012	YPBVCQFEIQYPRQ-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2cccc(Cl)c2)C1)[C@@H]1CCCCO1	841640591	NYBBORPSOFQIMJ-CJNGLKHVSA-N	320.820	3.649	50	20	DHGD	
Cc1oncc1CN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	844348568	ALQSDLKLLZVDQO-HNNXBMFYSA-N	310.514	3.969	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(C)(C)F)c1C	855746776	NPLYWXCFOKZACV-WJDWOHSUSA-N	319.424	3.676	50	20	DHGD	
CC(CCc1ccc(F)cc1)=NNC(=O)c1cc(C)cs1	863155205	BJFZOIRTQKQRBF-UHFFFAOYSA-N	304.390	3.934	50	20	DHGD	
O=C(CCc1ccccc1C(F)(F)F)NCC(Cl)Cl	868328361	ZMKFYXMBPHXKMR-UHFFFAOYSA-N	314.134	3.558	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2C)cc1	912594634	ZGAWAGHRTSMDAF-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
O=C(/C=C/c1nccs1)NNc1c(Cl)cccc1Cl	1263758495	BDWMLSLEUUFPIV-SNAWJCMRSA-N	314.197	3.606	50	20	DHGD	
N#C/C(=C\c1cccc(NC(=O)C(F)(F)F)c1)c1ccccn1	11286979	PZFWKDICMZYCDK-XYOKQWHBSA-N	317.270	3.647	50	20	DHGD	
CCOc1ccc([C@H](NC=C(C#N)C#N)c2ccccc2)cc1	32584964	GQEDTQMMNMQRAR-LJQANCHMSA-N	303.365	3.695	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	120387065	RDYAZOADZAUTMK-UHFFFAOYSA-N	317.820	3.943	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@H]1CCCCO1	121784336	VBHHOJCKJOQUTH-CHWSQXEVSA-N	304.477	3.813	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cnn(Cc2ccccc2)c1	124827041	AOFSHFJHIXJHHQ-MFOYZWKCSA-N	307.397	3.844	50	20	DHGD	
CN(CCC#N)c1ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1	125410539	PBZRXXKWFCJNIB-VBKFSLOCSA-N	309.413	3.949	50	20	DHGD	
O=C(Cc1ccccc1F)NNc1c(Cl)cccc1Cl	132809133	ZGYFYESLFLUCNS-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CC(=O)c1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	151442293	GXABDBGANRJECU-UHFFFAOYSA-N	322.286	3.665	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(CC(C)C)cc2)c1	156232340	GQDUVZJMFREDTL-UHFFFAOYSA-N	316.376	3.790	50	20	DHGD	
C/C=C(\C)C(=O)NNc1ccc(Br)cc1Cl	178530246	WFOHKLDGALQZKY-XVNBXDOJSA-N	303.587	3.512	50	20	DHGD	
CCSc1cccc(NS(=O)(=O)CCCCCl)c1	190773850	KOWNIQXGVUMZHW-UHFFFAOYSA-N	307.868	3.559	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(Br)s1	192575214	HRVIPDMNPYVKJU-VQHVLOKHSA-N	314.204	3.761	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C(F)(F)F)nc2C)c1	193187088	HIFWQQGCQUVQAD-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	194532008	FHLVBFFVYRSWEM-OQLLNIDSSA-N	308.312	3.574	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1	255897698	IVBHCJGZSZFGSY-SWEABUAFSA-N	308.356	3.919	50	20	DHGD	
Cc1cccnc1NNC(=O)CCCC[C@H]1CCSS1	276755143	QKFMIRLFNYVWAM-LBPRGKRZSA-N	311.476	3.547	50	20	DHGD	
CSSCCNC(=O)NCc1ccc(C(C)(F)F)cc1	292785230	RBNCQUWAXPVQOY-UHFFFAOYSA-N	320.430	3.609	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C\c2ccc(OC)c(C)c2)c1	490588637	ZFABEMQDAYHJON-GDNBJRDFSA-N	322.364	3.558	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	727257353	ZYLNLARSRKFTPS-UHFFFAOYSA-N	306.715	3.855	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	727777210	LJHOKYSERXTLOT-UKRRQHHQSA-N	318.417	3.557	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1cccc(F)c1F	730732174	DYXWFXPSTXYBJU-ZGVOAXKLSA-N	304.340	3.567	50	20	DHGD	
CCCCCCCOc1cccc(/C=C(\C#N)C(=O)NC)c1	747613085	RMBPPWXOKUITCO-FOWTUZBSSA-N	300.402	3.689	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccnc3cc(Cl)ccc23)o1	749524246	QSFBRXCRPYEELB-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
CC1CCN(C[C@@H]2CCCN(/C(=C\C#N)c3ccccc3)C2)CC1	750802069	UTDGOFXQIALUTQ-ZZYBNUKMSA-N	323.484	3.995	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1C	751446206	JTBLQKYKPNEIJL-OQLLNIDSSA-N	301.386	3.925	50	20	DHGD	
O=C(NC[C@H]1CCCS1)NNc1cc(Cl)ccc1Cl	757253088	BFDFBLHZWYAIEQ-SECBINFHSA-N	320.245	3.515	50	20	DHGD	
CCc1c(C(=O)NNc2ccc(C)cc2)cnn1CCC(C)C	757667289	YYRJJRGAFGXXES-UHFFFAOYSA-N	314.433	3.557	50	20	DHGD	
Cc1cccc([C@@H]2CCCN2CCI)c1	759341380	IEDLIHCPWILXIE-ZDUSSCGKSA-N	315.198	3.567	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CCC[C@H]3C)n[nH]2)cc1	764787989	SXMZAVOQIVHQQO-GFCCVEGCSA-N	310.401	3.545	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1csc(C(C)C)n1	768764919	XQCRHPIWNHDBBS-UHFFFAOYSA-N	305.378	3.560	50	20	DHGD	
CCC(=NNC(=O)c1cc2ccccc2o1)c1ccc(C#N)cc1	773057195	BCEDFIKOCMIXNK-UHFFFAOYSA-N	317.348	3.849	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2cc(Cl)ccn2)cc1	778447546	WTKTXABEBKNKCH-UHFFFAOYSA-N	317.820	3.763	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCc1ccsc1	783370344	CCXNAMUSGWNNTI-UHFFFAOYSA-N	321.354	3.593	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C[C@@H](CC#N)c2ccccc2)c1	793713597	RREOBQDVWUBASV-OAHLLOKOSA-N	311.360	3.665	50	20	DHGD	
N#C/C(=C\c1c(F)ccc(O)c1F)c1ccc([N+](=O)[O-])cc1	794926002	HDJGDPUHHFUEOE-JXMROGBWSA-N	302.236	3.643	50	20	DHGD	
CCCC[C@H](C)C(=O)NNC(=S)Nc1ccccc1C(C)C	800329252	GFFPKNBFDBOWFN-ZDUSSCGKSA-N	321.490	3.954	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C(C1CCC1)C1CCC1	802830495	ZUDDDLXPEKFHHA-UHFFFAOYSA-N	324.371	3.948	50	20	DHGD	
COc1ccc(NNC(=O)CCCCC(C)(C)C)c([N+](=O)[O-])c1	804459935	NCOSGOMWDKVAEB-UHFFFAOYSA-N	323.393	3.653	50	20	DHGD	
COc1ccc2cc(NC(=O)NCCSSC)ccc2c1	806611317	CDCJSPVFXBJVFR-UHFFFAOYSA-N	322.455	3.981	50	20	DHGD	
CN1CCC(CC(=O)NN(c2ccccc2)c2ccccc2)CC1	813404079	SQJCHEHZNQVKOA-UHFFFAOYSA-N	323.440	3.588	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccccc1C#N	814810167	ASOPWXCGKRKFSL-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
CCc1cnc(C=NNC(=O)Nc2ccc(C)cc2Cl)s1	814855999	XMMRJLOGXVBJRC-UHFFFAOYSA-N	322.821	3.823	50	20	DHGD	
CSc1cc(C(=O)NNc2c(C)cc(C)cc2C)c(C)o1	830791187	CIBVFQZNANQFLR-UHFFFAOYSA-N	304.415	3.992	50	20	DHGD	
CS[C@@H]1CC[C@H](NC(=O)NNc2ccc(C(C)C)cc2)C1	838495110	MMNMGSJDNAVTAZ-LSDHHAIUSA-N	307.463	3.720	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CCCC2(F)F)cc1	838674184	RWNBVXIOXBWGHY-ZDUSSCGKSA-N	311.376	3.872	50	20	DHGD	
CCOc1ccc(C[C@@H](C)C(=O)NNc2ccccc2F)cc1	839710454	RWSWLBHWCGLXIN-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
C[C@H](Cc1ccccn1)NC(=O)CCCC[C@@H]1CCSS1	848311847	RPENQGRQPGIESK-UKRRQHHQSA-N	324.515	3.843	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)c1	853302745	GSPYDUKCSYHVJS-GXTWGEPZSA-N	323.318	3.643	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc3ncccc23)[C@H]2CCC[C@H]21	853304390	LHJOWBWUNLTQGM-LSDHHAIUSA-N	307.397	3.777	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1ccc(Cl)cn1	856092790	GIEKTMAHMFWVTK-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
CCc1cccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)c1	856811929	PJQCGGQEKCGIMY-GXTWGEPZSA-N	311.223	3.544	50	20	DHGD	
CCc1ccccc1NC(=O)NC[C@@]1(C)C[C@H]1Br	856812682	ULXNZUNIUNTTSZ-TZMCWYRMSA-N	311.223	3.544	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccc(Cl)c(C)c2)c1	857502505	LHRQQYCOOCUXGW-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
Cc1cccc(NNC(=O)c2csc(C3CCCCC3)n2)n1	862517659	FGEGSZKHCQGVGU-UHFFFAOYSA-N	316.430	3.651	50	20	DHGD	
CCc1nc2ccc(C(=O)NNc3ccccc3)cc2nc1CC	868094814	NOUDYKNCPQARAZ-UHFFFAOYSA-N	320.396	3.512	50	20	DHGD	
CCCCOc1cc(C=NNC(=O)C2CCCC2)ccc1OC	914835245	FAFRCZAPHQYRSA-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CCCCCCCCCNC(=O)NNc1ccc(Cl)nn1	916194229	NAVNYPCDMQCSLG-UHFFFAOYSA-N	313.833	3.507	50	20	DHGD	
CCC(=NNC(=O)CC(C)C)c1ccc(Br)cc1	916342987	WTRUKUYCVQPOPX-UHFFFAOYSA-N	311.223	3.726	50	20	DHGD	
CC[C@H](C)[C@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1	920838262	KPVFQHQSQBKFMR-KSSFIOAISA-N	324.424	3.586	50	20	DHGD	
Cc1ccccc1[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	935454704	RNNBXVJDTXLIIU-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)cc1	1084433520	GPCUUWAEMFLTCF-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)OC2CCCCC2)cc1Cl	1318826336	MVZGYGZLKJWXPM-GFCCVEGCSA-N	310.825	3.829	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1ccc(N2CCCC2)nc1	1322511354	ZFZZRARTGUNXQL-SFQUDFHCSA-N	317.392	3.780	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2nc(C3CC3)cs2)cc1	1352273603	SRJWEFPXABPNNN-UHFFFAOYSA-N	301.415	3.901	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC2(CCSCC2)CC1	1520374309	SHAZSTHZWKMDEH-UHFFFAOYSA-N	315.910	3.920	50	20	DHGD	
CCCOc1cccc(/C=C(\C#N)C(=O)NCc2ccccc2)c1	6936048	NOUOEXYMTMKBTQ-LDADJPATSA-N	320.392	3.699	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(OCc2ccccc2)cc1	40889158	NILLDLHNGXRDER-AQTBWJFISA-N	320.392	3.699	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@H]1c1sccc1C	118988446	IADINDYTEQAYLU-OLZOCXBDSA-N	304.390	3.751	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(-c3ccccc3)n2)cc1	123129345	PPUPVQKPVYVZNS-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)c1	124928897	SFUDELPMRXICSM-UHFFFAOYSA-N	324.302	3.693	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)cc(C)n2)cc1	126337629	XDTFIRNEWMSXEE-WJDWOHSUSA-N	321.380	3.643	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2sccc2C(C)C)c1	157701566	LPWNXCABKMTKGR-UHFFFAOYSA-N	308.378	3.776	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2ccccc2Cl)cc1	158534469	RDZGMSFJHJCFJE-UHFFFAOYSA-N	318.804	3.815	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C(C)(C)c2cccc(F)c2)c1	161043440	LEXHLMPLVOUXIC-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
COC(=O)c1ccc(CN(C)/C(=C/C#N)c2ccc(F)cc2)cc1	161776598	LOVPJAQABVJYEJ-WOJGMQOQSA-N	324.355	3.609	50	20	DHGD	
CS[C@@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	172403963	VIPDACMGADJATL-CQSZACIVSA-N	308.353	3.512	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	188574598	CWFCCCMUVIXNDL-XOQYZJNISA-N	306.365	3.567	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)c(OC)c2)cc1	194520643	TUERZRXUDBBVFE-GDNBJRDFSA-N	322.364	3.558	50	20	DHGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)Nc1ccccc1	213315703	YHTNZYDKLXDIIZ-LFIBNONCSA-N	302.333	3.551	50	20	DHGD	
COc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)cc1	254750821	DSWXXIARUAXWII-UHFFFAOYSA-N	318.376	3.541	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	255095679	MIVSESRIIIJHRU-FOWTUZBSSA-N	305.308	3.628	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cnc3ccccn23)c1	255634350	RGXNPGQFEXVYLZ-YBEGLDIGSA-N	301.349	3.741	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)C1CCSCC1	267853593	QOSCLMDIZNDQBO-UHFFFAOYSA-N	305.230	3.580	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(Cl)c(F)c2)CCO1	272861550	SBTHYAJADGUIKL-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
CCC(=NN(C)C(=O)OC)c1ccc2cc(OC)ccc2c1	495609987	AXQWOKYNTPWGHI-UHFFFAOYSA-N	300.358	3.661	50	20	DHGD	
CS[C@@H]1CC[C@H](N(C)C[C@@H](CBr)C2CC2)C1	701863319	WSMZYESQXXGYKI-FRRDWIJNSA-N	306.313	3.623	50	20	DHGD	
CC(C)CC(=NNC(=O)N(C)C)c1cccc(C(F)(F)F)c1	726419731	GEJQWNGNUNOJJL-UHFFFAOYSA-N	315.339	3.727	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)C[C@@H](CC)c2ccccc2)cc1	728800691	CMKCEFAJEFWGBA-MRXNPFEDSA-N	324.424	3.594	50	20	DHGD	
N#C/C(=C/C=C\c1ccccc1)C(=O)c1ccc2c(c1)OCO2	746683967	IRDIWVFJIQKMFR-HASPRUBHSA-N	303.317	3.761	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2ccc(Cl)cc2)c1	748368676	ZZVVOVAMAQRAIK-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
N#C/C(=C/c1csc(Br)c1)C(=O)c1ccoc1	752890649	RAPZZHPKNYOQRL-KMKOMSMNSA-N	308.156	3.893	50	20	DHGD	
CC(C)n1ncc2cc(/C=C(\C#N)c3ccncn3)c(Cl)nc21	758913534	RUKQOVWTXHNHTD-LFYBBSHMSA-N	324.775	3.520	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cccc2ccsc12	768721261	LFTWGPBJRLKZNZ-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H]1C[C@H]1c1ccc(F)cc1	770319154	SZLFORILBVNARU-ICCXJUOJSA-N	315.182	3.503	50	20	DHGD	
Cc1ccsc1CCCC(=O)OC[C@@H](C)CBr	770405134	YHCKMHCJYNKWRB-JTQLQIEISA-N	319.264	3.953	50	20	DHGD	
COc1ccc([C@H](NC[C@H](C)CBr)C2CC2)cc1	770669154	SOHWVLPAGYLLBD-IAQYHMDHSA-N	312.251	3.767	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)COc1cccc2ccccc12	771707596	QROUMBASUNGVBX-UHFFFAOYSA-N	324.355	3.809	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cnc2ccccc2n1	774782906	FDUOCXUTQHBUGJ-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CC[C@@H](C)C2)ccc1Br	776475049	FVZNAAJHANAZLP-MWLCHTKSSA-N	311.223	3.637	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3cc(Cl)ccn3)cc2c1	778449329	ITOKTHSFLXJKGB-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)[C@@H](C)C1	783790500	HJQZXNTVYJDVPH-STQMWFEESA-N	310.401	3.619	50	20	DHGD	
CSSCCNC(=O)c1ccc(Oc2ccccc2)cn1	791100801	XLBKVJBADBLLFX-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
CCCn1c(C(=O)NNc2ncccc2C)cc2ccccc21	791219979	BUUWCZMHFRCLOS-UHFFFAOYSA-N	308.385	3.512	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)c1ccc(Cl)nc1)c1ccccc1	794493935	BNZILPQLTVSQCN-OAHLLOKOSA-N	315.804	3.890	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1c1ccccc1)c1ccc(O)c(O)c1	794558651	GVEXMEOXEJPJSB-HNNXBMFYSA-N	324.380	3.541	50	20	DHGD	
COC(=O)N(C)N=C(CC(C)C)c1cc(Cl)ccc1OC	794963963	PTTYXELLTIXPDO-UHFFFAOYSA-N	312.797	3.797	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNC(=O)Nc1ccccc1	801990291	DELXUSBZZXAPHF-CQSZACIVSA-N	305.422	3.836	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1)c1cccc(Br)c1	812457528	LQBOOTFOCSCXOQ-NSHDSACASA-N	319.202	3.696	50	20	DHGD	
CCC(C)(C)N[C@H](C)C(=O)NNc1c(C)cccc1C(C)C	812763055	NUMKEWSRSYLBLZ-CQSZACIVSA-N	305.466	3.728	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@@H]1CC[C@@H](C)O1	812766720	VSTKHKBGAXSWCX-CABCVRRESA-N	304.434	3.909	50	20	DHGD	
CSc1ccccc1NC(=O)NNc1cccc(Cl)n1	814485369	JDDZEAQSQDQPME-UHFFFAOYSA-N	308.794	3.606	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CC[C@H]1C1CC1	814747642	CHPYDYDNCDFTDB-UGSOOPFHSA-N	322.408	3.899	50	20	DHGD	
CN(c1ccccc1)c1ccccc1C(=O)NCC(Cl)Cl	816605801	MSTOZBUIRSHNOV-UHFFFAOYSA-N	323.223	3.988	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C(C)C)cc2)c(Cl)n1	821939411	QYKOJGCXYLWRIQ-UHFFFAOYSA-N	319.792	3.624	50	20	DHGD	
CC(C(=O)NNc1ccc(Br)cc1F)=C1CCC1	827510804	HQOMXXIACUUZIB-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1ccc(C(C)(C)C)cc1	828550996	WLGWCQHHLBUJJI-BXUZGUMPSA-N	307.463	3.504	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1cccc(Cl)n1	832804813	WEGSBZPOOJXXDN-UHFFFAOYSA-N	318.808	3.704	50	20	DHGD	
CCc1cc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)ncn1	853898021	YZUPSQBZTHBZCB-CQSZACIVSA-N	307.514	3.640	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCc2cc(F)ccc21	854334990	AZQTXEGXJYHZMR-KRWDZBQOSA-N	312.388	3.870	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2nc3ccc(Cl)cc3s2)C1	856235005	OXFNAWUMGCCYMF-BDAKNGLRSA-N	309.822	3.829	50	20	DHGD	
CSc1ccc(CNC[C@]2(C)C[C@@H]2Br)cc1	856806328	DMMBYFQSPNEMIP-STQMWFEESA-N	300.265	3.672	50	20	DHGD	
CC(C)CC=NNC(=O)NCc1cccc(C(F)(F)F)c1	921259992	MXXQFKXXGMFAAR-UHFFFAOYSA-N	301.312	3.537	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2c[nH]c(C(=O)O)c2)s1	1603545792	ODMBMSPGVLYUBP-WMZJFQQLSA-N	301.371	3.531	50	20	DHGD	
CCC[C@H](Cl)C(=O)NC1(c2ccc(NC(C)=O)cc2)CCC1	1787812773	SJDJUPUHCQGJLX-HNNXBMFYSA-N	322.836	3.548	50	20	DHGD	
N#C/C(=C\c1cccc(Cl)c1Cl)C(=O)NC1CCCC1	14178337	GYQOCXGGNQWGRZ-DHZHZOJOSA-N	309.196	3.959	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)Nc2ccccc2)ccc1OC	28495859	RIPQYQCWMVDOBF-RVDMUPIBSA-N	322.364	3.640	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2cccc(C#N)c2)c(C)s1	46601419	GQJMQSYJVUSZHT-NSHDSACASA-N	314.414	3.624	50	20	DHGD	
Cc1cccc(NNC(=O)c2csc(-c3ccccc3)n2)c1	72728231	ZNUFHLZEGUUWJN-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
N#CC(C#N)=CNc1ncc(Cc2ccccc2Cl)s1	78359085	QQRYEUJYCJWXNP-UHFFFAOYSA-N	300.774	3.730	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNC(=O)C1CCCCCC1	101810905	YUBZUXASFWGLRT-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Br)cs2)c1	109427818	GPIPBBAMVLJXQP-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
Cc1cccc(C(=O)NNc2nc(C(F)(F)F)cs2)c1C	152792939	ZKUQVXTVKLTYGU-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2cccc(F)c2)cc1	154744797	RSKBCBJCGIYVPY-UHFFFAOYSA-N	302.349	3.762	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2cccc(F)c2C1	157904565	SBHIMGSYRJRMKY-LSCVHKIXSA-N	323.327	3.657	50	20	DHGD	
O=C(CCn1ccc2ccccc21)NNc1ccccc1Cl	158521191	QYMGUHBRWXWABI-UHFFFAOYSA-N	313.788	3.828	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@H]2c2cccc(Cl)c2)cc1	158748029	VMDYHCVOGGYHFK-JKSUJKDBSA-N	300.789	3.895	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1ccc(OC[C@@H]2CCCO2)cc1	171019825	JPUUDYHCSUYQNH-QMJOVRGKSA-N	313.397	3.767	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1	172815230	JCUORROPVAOQDQ-RUDMXATFSA-N	321.764	3.790	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccccc2[N+](=O)[O-])cc1	213904182	BLSCFHZITZCGCV-PTNGSMBKSA-N	321.336	3.703	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(C)cc1C	252588695	ADTQQXGQRPCGPK-UHFFFAOYSA-N	305.381	3.939	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccccc1C(F)(F)F	254764155	JCICOBZKZVFCKB-UHFFFAOYSA-N	320.314	3.788	50	20	DHGD	
CC[C@@H](C)n1ncc(C(=O)NN(C)c2ccccc2)c1C1CC1	270428499	BZJCAUKRLHBVTR-CYBMUJFWSA-N	312.417	3.513	50	20	DHGD	
Cc1c(C(=O)N2CC=C(C#N)CC2)sc2ccc(F)cc12	271137761	RLGUMJQFSNONOE-UHFFFAOYSA-N	300.358	3.645	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(C(C)=O)cs1	281646978	BDDVSSHVNRTKPG-UHFFFAOYSA-N	302.399	3.578	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@H](C(F)(F)F)C1(C)C	309128426	BIJJBJICYGGJPR-RKDXNWHRSA-N	302.178	3.680	50	20	DHGD	
C[C@@H](Cc1cccs1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490872580	BZVGLCGTKFNWNA-LQELWAHVSA-N	314.385	3.542	50	20	DHGD	
CN(N=Cc1coc(-c2ccccc2)n1)C(=O)OC(C)(C)C	494108292	SZGGDINJJJROOY-UHFFFAOYSA-N	301.346	3.542	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)c2cnc3ccccc3n2)cc1	588581027	ZBUOEINGYKAOGR-PTNGSMBKSA-N	300.365	3.760	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2cc(Cl)cc(Cl)c2)c1	728781627	YUPANODKFAJHKX-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc2ccccc2n1	741453938	CHXPKLKWFPXUSN-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
CC(C)=C[C@@H]1[C@H](C(=O)NNc2cc(F)c(F)c(F)c2)C1(C)C	746706499	AAZVRKMSLIGJSQ-ZWNOBZJWSA-N	312.335	3.785	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1)c1ccc2ccccc2n1	747735699	IDRAYQQMKFITHZ-KIZKGPBRSA-N	319.339	3.803	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2ccccc2C2CC2)c1	751130577	DLPNWYDWKMZFQX-UHFFFAOYSA-N	322.408	3.710	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	753317920	ZWYAHERPKRUBBN-LLVKDONJSA-N	305.809	3.871	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1ccc([N+](=O)[O-])cc1F	758337140	WWIRVSIDBZNRLH-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)CC[C@H]1C	767357148	GFOTYUXYFZOMDW-OLZOCXBDSA-N	310.401	3.619	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)C1CCSCC1	767406869	KEHVSUBURVPDJX-UHFFFAOYSA-N	323.220	3.719	50	20	DHGD	
Cc1ccc(CN(C)C(=O)[C@@H](Br)C(C)(C)C)s1	767943202	KJVJZROIJGGZAD-LLVKDONJSA-N	318.280	3.825	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	769567672	TUVNMWIERUHSKL-NEPJUHHUSA-N	303.362	3.527	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2c(C)cccc2F)cc1C	771175665	UTVJWNGCEZPESI-LLVKDONJSA-N	319.384	3.759	50	20	DHGD	
CC(C)(C)[C@@H](NC(=O)NNc1cccc(Cl)c1)C(F)(F)F	775986221	PYZNSNFQVQRYTC-SNVBAGLBSA-N	323.746	3.943	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC[C@H](C)[C@H]1C	781126734	CYRZFJIDOLONHI-QWHCGFSZSA-N	320.458	3.716	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	784589271	QWUGBVZLYBBPGS-ZDUSSCGKSA-N	324.852	3.636	50	20	DHGD	
CSSCCNC(=O)C1(c2cccc(C)c2)CCCC1	791152867	QRQIPWRLLHMNTB-UHFFFAOYSA-N	309.500	3.934	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@H]1Cc2ccccc21	799554968	MMGLICZCBFYDTR-MRXNPFEDSA-N	309.413	3.523	50	20	DHGD	
CCC[C@@H](C)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802092061	ANHQMQRMHARPJS-MRVPVSSYSA-N	318.204	3.582	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1sccc1Cl	806861778	UORMEZZUQNJEJM-UHFFFAOYSA-N	309.803	3.768	50	20	DHGD	
COC[C@@H](NCc1ccc(OCCCCl)cc1)c1ccco1	811483934	RTITWZFOSLJMHH-MRXNPFEDSA-N	323.820	3.765	50	20	DHGD	
N#Cc1ccc(C(=O)NN(c2ccccc2)c2ccccc2)o1	814269672	ANDAQGSSRRPQLG-UHFFFAOYSA-N	303.321	3.634	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1ncccc1Cl	815818028	UNFVURRDHDNBAI-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1cc(O[C@H](C)C(=O)NCC(Cl)Cl)ccc1C(C)C	816604937	DCFNOWDFDWOMFA-LLVKDONJSA-N	318.244	3.806	50	20	DHGD	
COC[C@@]1(C)CCN(C(=O)CCCC[C@H]2CCSS2)C1	833544525	WXRGYRJNEIKJQY-ZFWWWQNUSA-N	317.520	3.586	50	20	DHGD	
CCCCCCO[C@@H](C)C(=O)NNc1nccc2sccc12	839682982	KIFXYNOQSUITSK-LBPRGKRZSA-N	321.446	3.725	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1csc(Cl)c1	857514270	XHTKGNYYTLXBFG-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1ccc(F)c(Cl)c1	863080972	UENJYKBNBCMHNC-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCC(C)CC2)c1C	916336861	QVCLZSFBIHTMLO-CVRLYYSRSA-N	302.418	3.753	50	20	DHGD	
C[C@H](c1ncccn1)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	931001092	UTPOEKSWKLGESW-KGLIPLIRSA-N	307.514	3.634	50	20	DHGD	
CCCc1n[nH]cc1C(=O)NNc1c(C)cccc1C(C)C	1117720217	IUJFMOHUSPGULV-UHFFFAOYSA-N	300.406	3.551	50	20	DHGD	
CCCCCCCCC(=O)NNC(=O)c1ccccc1Cl	1317788568	WUSFDXDWMYTPFH-UHFFFAOYSA-N	310.825	3.852	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)[C@@H](C)CC2CCCCC2)c1	1320209274	CQUOBGQDGPXLRJ-ZDUSSCGKSA-N	318.417	3.523	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc2ccccc2o1	11289645	OBDSCTDEYJOZGB-SDNWHVSQSA-N	318.332	3.987	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2ncccc2Cl)c1	114884706	HHTSBLJSLWNXGV-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CCCc2occc21	120737012	PIVQQGZOTRCGCI-GFCCVEGCSA-N	305.765	3.637	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Oc2ccccc2Cl)cc1	121100809	ADEUJOMJPJJPNC-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)CC1CCCC1	121270858	HKKVJFYCHVXAER-UHFFFAOYSA-N	319.474	3.708	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(Oc2ccccc2)o1	154582945	CAJGZHUHCVFXPC-UHFFFAOYSA-N	312.300	3.968	50	20	DHGD	
Cc1cc2occ(CC(=O)NNc3ccc(C#N)cc3)c2cc1C	155651404	NAIKOICOVNBKBJ-UHFFFAOYSA-N	319.364	3.607	50	20	DHGD	
CCCCN(C)c1ccc(C(=O)NNc2ccc(C)cc2)cc1	158746527	PODQEYCCXKDMLB-UHFFFAOYSA-N	311.429	3.988	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(F)cc2)cc1	175302706	JOIBNZHMPFEPKM-LBPRGKRZSA-N	302.349	3.760	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc(Cl)c(F)c2)CC1	175414201	PVCZNYVAQOIVAW-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)c2c[nH]c3cc(F)ccc23)cn1	255307095	CTJVBFMAUBJEPA-ACAGNQJTSA-N	322.343	3.874	50	20	DHGD	
Cc1sc2nc(SC/C=C/C#N)n(C(C)C)c(=O)c2c1C	268564722	AFUUMNWZHMBHHY-AATRIKPKSA-N	319.455	3.828	50	20	DHGD	
Cc1ccc(C(C)C)c(O[C@@H](C)C(=O)N2CC=C(C#N)CC2)c1	271169415	XFWLOMIKWPKFCG-HNNXBMFYSA-N	312.413	3.568	50	20	DHGD	
C=C(CBr)CN[C@@H](c1ccccc1)c1ccccn1	366176484	BLLGSQAGEJURNZ-INIZCTEOSA-N	317.230	3.712	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])s1	588421105	LKBBIHHEMVVRIN-TWGQIWQCSA-N	304.352	3.816	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)Cn2ccc3ccccc32)cc1	729638509	PFKBAXKUSGBOAU-UHFFFAOYSA-N	319.408	3.915	50	20	DHGD	
O=C(NNc1ccccc1)c1ccnc(Oc2ccccc2)c1	732265932	OVOLCCHYNPZWSH-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNc1ccc(F)cc1F	733362267	VAJVEULCNIDLHV-GFCCVEGCSA-N	316.351	3.603	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccccc1Cl	734248972	DTEJNIXLWIJUIT-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
O=C(CCc1ccc(F)cc1)NNc1nccc2sccc12	734249493	CQPSFYMCKGQWOX-UHFFFAOYSA-N	315.373	3.511	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1cnn(C)c1)=C\c1ccccc1	735411030	IBQWHYCQKMDQTR-AQBHWCKDSA-N	324.428	3.800	50	20	DHGD	
Cc1cccc(COc2c(C)cc(C=NNC(=O)O)cc2C)c1	738718213	ZBNKRMJIDOMRCO-UHFFFAOYSA-N	312.369	3.792	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)CCOc2ccccc2)cc1	747051588	PVMSXBQMGQWMOF-UHFFFAOYSA-N	310.397	3.729	50	20	DHGD	
O=C(C[C@@H]1CCCCO1)NN(Cc1ccccc1)c1ccccc1	755064378	PFYPLIRFRHATLI-IBGZPJMESA-N	324.424	3.684	50	20	DHGD	
Cc1cccc(-c2nc(C)c(C(=O)NNc3ccc(F)cc3)[nH]2)c1	756908684	GSCMSRBXOJJDJW-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(C)CC2CCC2)cc1OC	758369854	BIDZVIHZOGLTBD-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2c(Cl)oc3ccccc23)c1	761260001	ZIFINSWFDCWZAV-UHFFFAOYSA-N	323.739	3.722	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)c2ccccc2)c2ccccc21	769718357	KTUMWGYIHSUSNA-QINSGFPZSA-N	301.349	3.846	50	20	DHGD	
Cc1cccc2c1CC[C@@H]2NC(=O)NNc1c(C)cccc1F	771315373	GWZGBZYTTAYADY-INIZCTEOSA-N	313.376	3.756	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1cccc2cc[nH]c12	776063187	PQLPDGNKDHWECO-UHFFFAOYSA-N	323.381	3.926	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1ccccc1OC(F)(F)F	779200726	MCJSRUOYQGVPSI-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
CC[C@H]1CCCCC1=NNC(=O)c1cc(-c2cccs2)[nH]n1	779775793	BFCDMOMMBXJBHI-NSHDSACASA-N	316.430	3.824	50	20	DHGD	
CN(CC1CCCCC1)C(=O)/C(C#N)=C\c1ccc(F)cc1	785153465	AYTINELVQRZLMO-WJDWOHSUSA-N	300.377	3.771	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1c[nH]cc1-c1ccccc1F	787456650	XZDQIBXFNRESNZ-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)c3ccc([N+](=O)[O-])c(C)c3)cn2c1	789146731	BWLDNCCMBPQTKL-NVNXTCNLSA-N	318.336	3.924	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCF)c1cc2ccccc2cc1O	794858236	APBCWPXPRZLJAD-GFCCVEGCSA-N	314.360	3.791	50	20	DHGD	
C=C(CBr)COC(=O)c1cc(C)nc2ccccc12	795317369	CBFWOFRWEOVGLY-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2ccc(-c3cnn(C)c3)s2)n1	800791302	LDTKSKWGOLQINT-WZUFQYTHSA-N	312.423	3.978	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1(F)CCCCC1	810534910	BEEXAUOCUJBBTR-UHFFFAOYSA-N	320.286	3.701	50	20	DHGD	
Oc1cccc(CNCc2ccc(OCCCCl)cc2)c1	811476268	HSNZHQMRHJSBDP-UHFFFAOYSA-N	305.805	3.690	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cccc(F)c2C#N)ccc1[N+](=O)[O-]	811693788	MVUZGDGCEYKEGQ-RIYZIHGNSA-N	307.284	3.978	50	20	DHGD	
O=C(NN=C1CCC(c2ccc(O)cc2)CC1)c1ccccc1	814685396	HHCUPODIJMRDRK-UHFFFAOYSA-N	308.381	3.836	50	20	DHGD	
COc1cc(NC(=O)NN=CCC(C)C)c(OC)cc1Cl	814996064	SCZHXGIIOSIHKW-UHFFFAOYSA-N	313.785	3.511	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1sc(C)nc1C	815005599	YZTZNRPBZDTXTD-UHFFFAOYSA-N	322.821	3.959	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1Cc2ccccc2S1	821699950	XHVOHTVCKAYESZ-AWEZNQCLSA-N	304.802	3.500	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)c2c(C)noc2C)c(Cl)c1	836935323	DTXAEDQDNJLFOK-VIFPVBQESA-N	307.781	3.500	50	20	DHGD	
C[C@@H](CNC(=O)NNc1ccccc1Cl)CC(F)(F)F	840438218	ZOEOKOJWJVQTER-MRVPVSSYSA-N	309.719	3.555	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1CCC[C@@H]1C	840547012	HNPKYCRZFIVUOL-WDEREUQCSA-N	310.829	3.523	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(OC)c(OC)c1)[C@H]1CC1(C)C	841602821	COMBOXTZBXWSIA-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)[C@@H]1C[C@H]1c1cccs1	841604967	OCZVQGSXSMBOPJ-QWHCGFSZSA-N	302.374	3.797	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cc(Cl)ccc2O)[C@H]2CCC[C@H]21	853283675	ZELWKLCZYGXLDE-CMPLNLGQSA-N	306.793	3.588	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccc(Cl)cn2)o1	856095936	WOWZLHFSKMHFSV-GXFFZTMASA-N	319.792	3.527	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1cc(Cl)ccc1O	857082926	RYCKRCSVYFBLDF-AQUOVQTQSA-N	318.642	3.870	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NC[C@]1(C)C[C@@H]1Br	857689628	LYSVKNGPIUEBFM-BBRMVZONSA-N	324.262	3.545	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccc(SC(F)F)cc1	877892332	SUZJYGYOVWKOSG-UHFFFAOYSA-N	315.172	3.927	50	20	DHGD	
CC(C)/C=C\c1cn([C@]2(Cl)C[C@@H]2CCBr)nn1	881382278	LCVQSRAZOZQUTR-OIFMLDNNSA-N	318.646	3.644	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2ccc(Cl)cc2F)CCO1	885107508	HJUYELRUZQBUHB-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
CNC(=O)CN(C)Cc1cccc(S(F)(F)(F)(F)F)c1	895473773	PLCXDGQTXRXTNM-UHFFFAOYSA-N	318.311	3.522	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)C12CC3CC(CC(C3)C1)C2	916265257	CLZCHEFXWWRZIP-UHFFFAOYSA-N	312.413	3.714	50	20	DHGD	
CC(C)c1cc(NC(=O)[C@]2(C)C[C@H]2Br)ccc1O	922379772	KNPAUHCXHMGZPJ-TZMCWYRMSA-N	312.207	3.628	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccc2c(c1)oc1ccccc12	1117509380	PTQQDVWSJKAHQZ-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
CCCN(Cc1ccccc1O)C(=O)C1CCC(Cl)CC1	1263766887	GUODOHDLZNOPES-UHFFFAOYSA-N	309.837	3.928	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1cncn1-c1ccccc1	1322629468	PFDHFBQDWAPKQL-MRXNPFEDSA-N	324.428	3.804	50	20	DHGD	
CCCc1ccc(C(=O)NNc2ccc(C(C)(C)C)nn2)s1	1331791868	PGJVNGWZJYEXNV-UHFFFAOYSA-N	318.446	3.545	50	20	DHGD	
COc1cccc([C@H](NC(=O)CCl)c2ccccc2Cl)c1	1336910396	TXYOKEPPIUVKTH-INIZCTEOSA-N	324.207	3.793	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@]2(CCSC2)C1	1358288624	UTTBSIQAHGMGLX-INIZCTEOSA-N	309.862	3.785	50	20	DHGD	
CC[C@H]1CCCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046268	IMRQHNCQHGVSHA-LBPRGKRZSA-N	317.389	3.853	50	20	DHGD	
C#Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(OCC)cc2)c1	44226300	ASFMRAFYQSKHTI-SFQUDFHCSA-N	316.360	3.612	50	20	DHGD	
CC[C@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	88304236	ZWYRNHJPFTUGCG-QWHCGFSZSA-N	317.882	3.571	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc(Cl)cc(Cl)c1	114885698	FCMCJISFUVJCOF-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(Cc1c(F)cccc1Cl)NNc1ccc(Cl)cc1	120386024	ZPMYZNTXMKZNRL-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(-c3ccccc3)nn2)cc1C	127997893	LWQSCAJHXXKYLO-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)c3ccccc3n2)c1	150849332	PAJYYOFEIOTNTF-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1ccc([C@@H](C)NC[C@@H](C)CBr)cc1[N+](=O)[O-]	152800459	HIGBNXVFQFOAPL-GXSJLCMTSA-N	315.211	3.585	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2c[nH]c3ccc(Cl)cc23)c1	154953867	HPDVRQNSRMMHSQ-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)cc1	190184201	TWNZIPRVYWHWGJ-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
O=C(/C=C\c1ccccc1)NNc1ccccc1Br	255322338	YSZRIPPMEOYIJD-KHPPLWFESA-N	317.186	3.606	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2c(F)cccc2Cl)C1	281560402	LBYQYPHDFYHNKT-MNOVXSKESA-N	314.788	3.518	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1cccc2c1CCCC2	285900566	YFSFTDVKOUMSLJ-UHFFFAOYSA-N	313.401	3.742	50	20	DHGD	
CC(C)(C)c1ncc(/C=C(\C#N)c2ccc([N+](=O)[O-])cn2)s1	291690200	XKEMCGRDTSWWHX-UXBLZVDNSA-N	314.370	3.808	50	20	DHGD	
O=C(NC[C@@H]1CCCCC1(F)F)c1cccc(CCl)c1	390580210	XQVMMGLHWJKAPE-ZDUSSCGKSA-N	301.764	3.981	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H](C)c1ccccc1	490910525	RIWHZPNFGMUHCP-NLGCMCFESA-N	320.392	3.608	50	20	DHGD	
O=C(/C=C/c1ccsc1)NNc1ccccc1Br	492204098	IHQRVNLFVJMZPD-AATRIKPKSA-N	323.215	3.667	50	20	DHGD	
CCCN(N=C(C)CC1(C(=O)O)CCC1)C(=O)OC(C)(C)C	495652239	OTPQIXYUNSMWBF-UHFFFAOYSA-N	312.410	3.654	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)n2c1	588598134	BHXJVHRAPIVRCV-MLPAPPSSSA-N	323.302	3.711	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)CNc1ccccc1OC	727254292	PDSRHSRLRZXFFL-AWEZNQCLSA-N	317.433	3.570	50	20	DHGD	
COc1cc(C(=O)NN=C2C=C(C)CCC2)ccc1OC(C)C	727257205	WJJABZHVWHPXLN-UHFFFAOYSA-N	316.401	3.698	50	20	DHGD	
CSc1ccc(C(=O)/C=C\c2cnn(CCCl)c2)cc1	728698918	BNZVTNNLCHGHAK-UQCOIBPSSA-N	306.818	3.740	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cccc3ncccc23)cc1C	730147624	YNGGEEHIBNVDON-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
C[C@@H](CC(=O)NNc1cnnc2ccccc12)CC(C)(C)C	733808601	AHFAZFPVJBTTEU-LBPRGKRZSA-N	300.406	3.535	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC[C@H](CC)C2)cc1OC	734977709	DWSDGCZAJPMGHR-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
CC/C(=C\C(=O)NNC(=O)c1ccccc1C)c1ccc(C)cc1	741661845	AERUJQYQTAGEJW-DTQAZKPQSA-N	322.408	3.558	50	20	DHGD	
C=C(C)CCOC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	744303446	BFUFJTMIOTZHMY-GZTJUZNOSA-N	300.402	3.931	50	20	DHGD	
COc1ccc(C)cc1C(C)=NNC(=O)c1c[nH]c2ccccc12	744596146	FXCJPVNLGLEBIF-UHFFFAOYSA-N	321.380	3.639	50	20	DHGD	
O=C(CC1(O)CCCCC1)NN(c1ccccc1)c1ccccc1	746112078	RXCDGVWRLYDPHG-UHFFFAOYSA-N	324.424	3.941	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H](C)c1ccccc1	746372130	KMBNJMFJJMQGIF-LLVKDONJSA-N	316.788	3.955	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)c1ccc(F)c(Cl)c1	747052940	PMZSGUQRTQLBPI-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
CCOC(=O)NN=C(C)[C@@H](C)Oc1ccc(Cl)cc1Cl	749853546	OONQYMFOKWCOAW-SECBINFHSA-N	319.188	3.883	50	20	DHGD	
COc1ccc(NNC(=O)CCCc2ccc(C)s2)cc1	751060283	ARTRAAMBHNBDHM-UHFFFAOYSA-N	304.415	3.531	50	20	DHGD	
CCc1ccc(COC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	754544383	XKJLGVVFRYNPST-BOPFTXTBSA-N	307.349	3.605	50	20	DHGD	
Cc1ccc(OC(F)F)c(C=NNC(=O)CC2CCCC2)c1	756834775	OMRYCUFWOZBTHK-UHFFFAOYSA-N	310.344	3.627	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cc3ccccc3o2)cnc1Cl	760259405	GRBSKKTUZOPNMY-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1csc2ccccc12	768504948	UUGYHPGJEZYSNE-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
C[C@H](CBr)COC(=O)C12CC3CC(CC(C3)C1)C2	770321365	BGLRYZPHXAGTLQ-QFGHMXTESA-N	315.251	3.777	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)ccc1C	773137972	DAXRWJJZVXLALQ-RIYZIHGNSA-N	304.353	3.648	50	20	DHGD	
Cc1ccc(C(C)C)c(O[C@H](C)C(=O)NCCCSC#N)c1	774296693	IIFGKUBEATUBQO-CQSZACIVSA-N	320.458	3.606	50	20	DHGD	
COc1cccc(NC(=O)NNc2cccc(Cl)c2)c1F	775801938	XPFPMDLGMKAGJI-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
O=C(C=C1CCCC1)NNc1ccccc1OC(F)(F)F	779201842	YADRHFWVSLFIBU-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(F)c(C)c2)c1	786055777	JWGYRHLJVMVJHU-YVLHZVERSA-N	308.356	3.666	50	20	DHGD	
CC(=NNC(=O)CNc1ccc(C)cc1)C1CCC(F)(F)CC1	788699557	ZJMBYJQGTYBFFV-UHFFFAOYSA-N	323.387	3.725	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1)Nc1cccc(F)c1Cl	806771556	CTXQYNYVTBTPTM-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
COc1cc(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)ccc1O	812246913	WOLDELRPSCDSFK-WDZFZDKYSA-N	320.270	3.879	50	20	DHGD	
CSc1ccc(C=NNC(=O)CCCc2ccccc2)s1	814833695	PQDCPNOBEZWYCL-UHFFFAOYSA-N	318.467	3.943	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3ccc(F)cc3F)c2c1	815853129	XRNGKMZLQFTLHQ-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
C=CCC1(CNC(=O)/C(C#N)=C/c2ccc(O)cc2)CCCC1	836990353	DPIVYJVSGYRELN-FOWTUZBSSA-N	310.397	3.552	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(N(C)C(C)C)nc2)o1	840723581	XWJRSJXYCHLIFE-OQLLNIDSSA-N	309.369	3.618	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2cc(Cl)ccc2[nH]1	848080939	HKGPXAZNQZSMJE-UHFFFAOYSA-N	305.592	3.697	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cc(C2CC2)cnc1Cl	855370438	YPMGXNWATROTLV-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2cc(F)cc(Cl)c2)CCO1	855618589	LDUKWXITFKQSJL-HZMBPMFUSA-N	314.788	3.518	50	20	DHGD	
CSc1ccc(CNC[C@]2(C)C[C@H]2Br)cc1	856806326	DMMBYFQSPNEMIP-OLZOCXBDSA-N	300.265	3.672	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NN[C@H](C)C(F)(F)F)cc1	862313364	GAQMLXLAJWBODI-NWDGAFQWSA-N	316.367	3.875	50	20	DHGD	
COc1cccc(C(C)(C)C(=O)NNc2cc(C)ccc2C)c1	866872030	FQXUIJXLZXKMEC-UHFFFAOYSA-N	312.413	3.733	50	20	DHGD	
O=C(CCCOc1ccc(F)cc1)NNc1ccc(Cl)cc1	873970083	CHJYAFCVQDUGMX-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cn1	912579950	KSKNWVKNCALMPB-HNNXBMFYSA-N	320.509	3.626	50	20	DHGD	
CCCCCC1=CCCC1=NNC(=O)Cc1csc(C)n1	916320006	CAUAEJOLYRIBCC-UHFFFAOYSA-N	305.447	3.767	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)c3cc4c(s3)CCC4)c[nH]c2c1	917536864	XGVCVRIXDRLJGK-UHFFFAOYSA-N	323.421	3.790	50	20	DHGD	
CCCn1cccc1/C=C(\C#N)C(=O)N[C@H](C)c1ccccc1	918184851	UCBFXFSZHUWYFN-OVGFGYAMSA-N	307.397	3.682	50	20	DHGD	
CCCCCCCOC(=O)/C(C#N)=C\c1cc(C#N)n(C)c1C	918493454	VRONYFKJMYQQRX-YBEGLDIGSA-N	313.401	3.626	50	20	DHGD	
C[C@@H](CNC(=O)NNc1ccccc1Cl)c1ccc(F)cc1	920055986	XHACBGPZKVSYTE-NSHDSACASA-N	321.783	3.909	50	20	DHGD	
O=C(N[C@@H]1CCOc2ccc(F)cc21)C1CCC(Cl)CC1	1351611544	DLXCRSQCQAPGDN-QIMFLAQGSA-N	311.784	3.563	50	20	DHGD	
Cc1ccc(NNC(=O)CC2(CC(=O)O)CCCC2)c(Cl)c1	1600461874	BIOSXZFHYIJHPY-UHFFFAOYSA-N	324.808	3.517	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc(SC)cc1	33905476	PGIOUYJAOUQRMX-KAMYIIQDSA-N	324.405	3.963	50	20	DHGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)C(C)C	44027244	JNDNFFZSAJMLJX-WDZFZDKYSA-N	308.175	3.590	50	20	DHGD	
CCC(CC)CN(CC)C(=O)c1c(C)nn(CCCl)c1C	74218919	YROOMCIWBYTSJE-UHFFFAOYSA-N	313.873	3.637	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2cccnc2Cl)cc1	85684988	WNAZRRBDAOIOKJ-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cc(C#N)cc(Cl)n1	93546867	PMXPUFZUTFQUSU-LLVKDONJSA-N	320.824	3.656	50	20	DHGD	
CSc1cc(C(=O)NNc2ccc(C)c(Cl)c2)ccn1	97024747	ZAHAFYHTGBRTAA-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccc(C)s2)c1OC	105571038	RYJPUGNJKAUPGX-LCYFTJDESA-N	313.378	3.864	50	20	DHGD	
CC(C)[C@H](C)N(C)S(=O)(=O)c1ccc(CCCCl)cc1	112478511	UTEVKXKDCJMLBX-ZDUSSCGKSA-N	317.882	3.523	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccnc1Cl)c1ccccc1F	128290530	HKKTZVUMPJPMJR-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
Cc1cccc(NNC(=O)c2cncc(-c3ccccc3)c2)c1	135878788	GLPPCOSOZFQHTA-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
O=C(/C=C/c1ccccc1)NNc1ccccc1Br	153601334	YSZRIPPMEOYIJD-ZHACJKMWSA-N	317.186	3.606	50	20	DHGD	
Cc1cc2cc(C(=O)NNc3ccncc3Cl)oc2cc1C	154830327	BQHROCOMSXZRLN-UHFFFAOYSA-N	315.760	3.855	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc(F)c1F	170666258	WUMKNSAHYKDBPT-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)o1)C(=O)c1c[nH]c2cc(F)ccc12	174060448	LCZPRRMTUHCURH-BJMVGYQFSA-N	305.268	3.562	50	20	DHGD	
COc1ccsc1C(=O)NNc1ccc(C(C)(C)C)cc1	181159417	JKSQOFNNBQPOCT-UHFFFAOYSA-N	304.415	3.811	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)Nc1ccccc1OC	212890522	AMLRLAONJHVTMF-PTNGSMBKSA-N	322.364	3.558	50	20	DHGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)N1CC=C(C#N)CC1	270929604	DWWPLLKXSKYZEL-UHFFFAOYSA-N	311.429	3.749	50	20	DHGD	
CCC1(C(=O)NNc2c(Cl)cccc2Cl)CCOCC1	272304270	JMFJANXPQFWEAQ-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
C[C@@H](C(=O)N1CC=C(C#N)CC1)c1ccc(Cl)c(Cl)c1	272666101	IXLCCQIKIIJZAQ-SNVBAGLBSA-N	309.196	3.779	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C1CCCCCC1	295415465	SQGJKJSSQVFTSF-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cnc(C2CCC2)cc1=O	298269407	LIZLYVNFBMROPK-UHFFFAOYSA-N	308.498	3.533	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2scnc2C2CC2)c1	491176538	QDMVOVBAVIHZNM-NVNXTCNLSA-N	323.421	3.552	50	20	DHGD	
CCCN(N=Cc1ccc(C#N)c(F)c1)C(=O)OC(C)(C)C	495896587	KDEIJGKFKPKFBP-UHFFFAOYSA-N	305.353	3.678	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1O	727650671	QCFAOQWHYBIKAL-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CCc1oc2ccccc2c1C=NNC(=O)c1ccccc1OC	731487968	LWCYCZGHFRLEFP-UHFFFAOYSA-N	322.364	3.768	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cccc(O)c1	741463065	WWXPUTOBLOXKCQ-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc2c(cc1OC(F)F)OCO2	741840341	PVXJMXPQBLRWCN-WMZJFQQLSA-N	323.295	3.539	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1c2c(nc3ccccc13)CCC2	748089082	NXXIDFVFSZZQHJ-UHFFFAOYSA-N	321.355	3.620	50	20	DHGD	
Cc1ccc(NNC(=O)CCCOc2ccc(C)c(C)c2)cc1	749193750	MXWIYNXGGBQXPM-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
O=C(NN=CCCCCOc1ccccc1)NC1CCCCC1	753955417	NBNZYGPEQXJPIE-UHFFFAOYSA-N	317.433	3.853	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccc(C(C)C)cc1	755360841	HKXYFNMVURUQIT-UHFFFAOYSA-N	311.385	3.585	50	20	DHGD	
CC(Cc1cccc(F)c1)=NNC(=O)c1ccc(O)c(Cl)c1	759195327	FMZNSBQEZCLFDT-UHFFFAOYSA-N	320.751	3.533	50	20	DHGD	
N#Cc1ccc(NNC(=O)C=C2CCCC2)cc1C(F)(F)F	762818052	LJIWIXPMCAWJSE-UHFFFAOYSA-N	309.291	3.521	50	20	DHGD	
CCOc1ccc(OC(=O)[C@@H](Br)C(C)(C)C)cc1	767003276	RHPKJAVZPGLETL-GFCCVEGCSA-N	315.207	3.800	50	20	DHGD	
C[C@H](CBr)CN(CCc1cccc(F)c1)C1CC1	770651725	DBKKBSKXWUIEMG-GFCCVEGCSA-N	314.242	3.864	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@H](c2ccccc2F)C1	770655080	WEUAUSWKHGZBLA-RYUDHWBXSA-N	300.215	3.646	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2c(C)cccc2F)cc1C	771175671	UTVJWNGCEZPESI-NSHDSACASA-N	319.384	3.759	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	775273593	LXBIBNBRGULSDT-QMMMGPOBSA-N	302.205	3.658	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cccc([N+](=O)[O-])c2C)cc1	775388029	NPDLJMMRHIUZQO-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cc(Cl)ccc1F	775454384	QQYUEUJEDCKDIQ-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@H]1CC[C@H](C)C1	776489417	ZERXZSGFDBDKSY-ONGXEEELSA-N	311.223	3.637	50	20	DHGD	
O=C(NNc1ccccc1)c1c[nH]nc1-c1ccc(Cl)s1	779008693	YSCATHXPJWJDFB-UHFFFAOYSA-N	318.789	3.549	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1cc2c(s1)CCC2	782152421	PSJRMZKJIDARFI-UHFFFAOYSA-N	310.831	3.716	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cc(F)c(OC(C)(C)C)c(F)c1	782180029	ULAATAPYGXFXNE-KTKRTIGZSA-N	324.327	3.525	50	20	DHGD	
COc1cc(NNC(=O)NC[C@@H](C)C(C)(C)C)ccc1Cl	789023096	SFVVPUOXJGXNRE-SNVBAGLBSA-N	313.829	3.657	50	20	DHGD	
C=C(CBr)CN1c2ccccc2N(C)CC[C@@H]1C	791478513	VMDZYXGYZXSFJL-ZDUSSCGKSA-N	309.251	3.673	50	20	DHGD	
C=C(CBr)CN(C)Cc1cccc(OC(C)C)c1	791485212	XHJBELVSWYBRDM-UHFFFAOYSA-N	312.251	3.857	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(OC)cc1Cl	799760730	OXVNMQKGHMRQBO-UHFFFAOYSA-N	318.804	3.976	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Cn2ccc3ccccc32)c1	806399644	WAUMBOZKKVXBCC-HNNXBMFYSA-N	307.397	3.729	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccc(O)c(C(=O)O)c2)n1	809153665	BDWCMEYZVKHZFJ-WZUFQYTHSA-N	314.366	3.734	50	20	DHGD	
CN(C)c1cc(Cl)cc(Cl)c1C=NNC(=O)C(C)(C)C	811637664	HGLXLWOCFLFLOU-UHFFFAOYSA-N	316.232	3.556	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cnc2c(F)cccc2c1	816163990	KGJCUELMFMZGJS-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1ccc(CCC(=O)NNc2ccc(C(C)C)cc2)cc1	837058737	SZZXKVARWNMSOV-UHFFFAOYSA-N	312.413	3.895	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)CCc1cc(Cl)cs1	848082051	WHTXUHACEARPMB-UHFFFAOYSA-N	300.638	3.596	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1ccc2c(c1)C(C)(C)CO2	855370389	XBHCYYGSCFJFTB-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1ccnc(Cl)c1	855466698	UGBXAMUNLDQLBE-UHFFFAOYSA-N	315.804	3.762	50	20	DHGD	
Cc1csc(C(=O)NN=C[C@H](OC(C)C)c2ccccc2)c1	863156550	FESDTIPFFQKQTK-HNNXBMFYSA-N	316.426	3.938	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc(C(F)(F)F)ccn2)cc1	880230471	KPHXLQFEZOZLTG-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
Cc1cnc2c(c1)N(C(=O)CCCC[C@@H]1CCSS1)CC2	888142236	RBORWBHVYDKAGV-CYBMUJFWSA-N	322.499	3.993	50	20	DHGD	
COc1cc(/C(C#N)=C\c2cnn(C3CCC3)c2)ccc1[N+](=O)[O-]	899366534	MWSIDHCVFZPDHJ-AUWJEWJLSA-N	324.340	3.589	50	20	DHGD	
CCc1onc(C)c1/C=C(\C#N)C(=O)N[C@H](CC)c1ccccc1	899368281	HMQUTDLRXHATLG-GSPCDJLXSA-N	323.396	3.720	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1cc(C)ccc1OC(F)F	916249661	DSUBREKIYPWQLL-UHFFFAOYSA-N	318.323	3.750	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](F)Cc2ccccc2)cc1Cl	1319895210	SDBHGTWIJXHAFJ-HNNXBMFYSA-N	306.768	3.672	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3cccc(Cl)c3s2)CC1	1466141248	PRWOIWJXSUPXQM-UHFFFAOYSA-N	302.786	3.851	50	20	DHGD	
CC[C@H](CC(C)C)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1604982276	AXNRXZKXICSRHJ-SNVBAGLBSA-N	312.797	3.554	50	20	DHGD	
N#C/C(=C\c1cnn(-c2ccccc2)c1)C(=O)OC1CCCCC1	14178896	SBZQJHQGNRPNFR-LFIBNONCSA-N	321.380	3.655	50	20	DHGD	
O=C(Cc1cccc(F)c1)NNc1ccccc1C(F)(F)F	45480549	XRRMISVLEJVOGX-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cccc(C(F)(F)F)n2)c1C	122233165	GWKFGLITZVJUGO-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
O=C(/C=C/c1ccccc1)NNc1cccc(Br)c1	152180461	HLTUUCUEHVKDBK-MDZDMXLPSA-N	317.186	3.606	50	20	DHGD	
O=C(NNc1ccc(F)cc1Br)C1CCCCC1	153710728	VMKZHIOVDWEIGD-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CC(C)(C(=O)NNc1cccc(F)c1)c1cccc(Cl)c1	155086846	MGTOIAKPVOYTQP-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
Cc1nc(NC(=O)NNc2nc3ccccc3s2)sc1C	170697265	DTURMKHEXCWMDJ-UHFFFAOYSA-N	319.415	3.518	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(O)c(C)c2)cc1	178962476	RDKQEFDJOKSHLI-RVDMUPIBSA-N	322.364	3.645	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)c(F)c2)CCO1	184110033	BYWPKPJHCOCLQM-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1ccc(F)c(F)c1	193377472	UEHAJYXJKHOZAJ-YRNVUSSQSA-N	302.255	3.650	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)cc1F	212594928	IPVPTSYLKYLAHQ-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
N#CC1=CCN(CCCc2ccccc2Br)CC1	273015964	BKSOCUQIKRBWDN-UHFFFAOYSA-N	305.219	3.537	50	20	DHGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)NC1CCCC1	491086782	VEMZDMXREUSUDJ-UITAMQMPSA-N	314.332	3.733	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)c3cnc4ccccc4n3)n2c1	588580887	UASAMKFYGPDUQV-ZSOIEALJSA-N	311.348	3.650	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1	732761657	LMRUCMNQFIOVID-SMDDNHRTSA-N	307.353	3.648	50	20	DHGD	
CC(C)OCCCN(C)C(=O)CCCC[C@H]1CCSS1	740838452	MOLQZKHHPZWARR-AWEZNQCLSA-N	319.536	3.974	50	20	DHGD	
CCn1c(C(C)=NNC(=O)c2ccccc2C)nc2ccccc21	741453976	CSVXBIVUXUSPQZ-UHFFFAOYSA-N	320.396	3.519	50	20	DHGD	
COc1ccc(C)cc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@H]1C	747015073	QHHATQWHVFQMRF-VKMDTLBDSA-N	312.413	3.606	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)C1CCCCCC1	748732289	DVPUEKIZZWCZIG-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1cccc(C)c1Cl	754281473	MZJLQOPVKMDWFN-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
CC(C)(C)C=NNC(=O)COc1ccc(Cl)cc1Cl	755465264	HDLRVBOAUNYVPZ-UHFFFAOYSA-N	303.189	3.520	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2c(C)cccc2C)cc1	755576500	NNFVVRJWPOAKDV-RVDMUPIBSA-N	306.365	3.858	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)Cc1nc(-c2ccccc2)cs1	755626121	YCVXAUFYZOYOAG-GFCCVEGCSA-N	301.415	3.501	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccccc1Cl)c1cccnc1	758070745	VUXYGTAMKQULIB-AWEZNQCLSA-N	313.788	3.789	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(C)(C)CC)cc1	760556378	QLQXEANVVKFPPN-RVDMUPIBSA-N	300.402	3.545	50	20	DHGD	
C[C@@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)c1ccco1	767405849	VRJQIOJVDXTIES-SSDOTTSWSA-N	317.147	3.972	50	20	DHGD	
COc1ccc(NC(=O)[C@H](Br)C(C)(C)C)c(C)c1	767945812	COOIVQRCHQETJQ-LBPRGKRZSA-N	314.223	3.752	50	20	DHGD	
Cc1cc(NC(=O)[C@@H](Br)C(C)(C)C)cc2n[nH]cc12	768369476	QTWLPERNRISKQX-GFCCVEGCSA-N	324.222	3.619	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2cscc2Cl)cc1	771878659	KWIXJNHRMGRXFH-UHFFFAOYSA-N	322.821	3.623	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(Cl)c2)c2[nH]ncc12	775616048	OVLQIWMLHTWDOR-UHFFFAOYSA-N	315.764	3.673	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCc3c(Cl)cccc32)c1	775781985	QGTUEZKKBHVSTO-CYBMUJFWSA-N	318.779	3.961	50	20	DHGD	
N#C/C(=C\c1cccc(Br)n1)C(=O)c1ccccc1	777913542	WIYSKZRLNIDGEA-FMIVXFBMSA-N	313.154	3.634	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCC=C(F)C2)c1C	783659346	RNCMTIXZPVEHTD-MHWRWJLKSA-N	315.392	3.508	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1c1cccc(C)c1	790877769	IGGBUVXPNBVBEM-CQSZACIVSA-N	310.488	3.853	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cccc(OCCOC)c1	794876045	AUQJAKNXPWXCOJ-PTNGSMBKSA-N	301.386	3.624	50	20	DHGD	
CO[C@@H]1CCN(C(=O)CCCC[C@H]2CCSS2)[C@@H](C)C1	799760006	BAVLIXDMGUOMGW-MJBXVCDLSA-N	317.520	3.726	50	20	DHGD	
C=CCCCC(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802039423	HSIHLBISMMYASU-UHFFFAOYSA-N	323.396	3.863	50	20	DHGD	
CC(C)c1scnc1C(=O)NNc1ccc(Cl)c(F)c1	810465596	NFUAKIQTGDXPFE-UHFFFAOYSA-N	313.785	3.816	50	20	DHGD	
Cc1ccc(CCNCc2ccc(OCCCCl)cc2)cn1	811479173	AHQPBZDVDXBMTI-UHFFFAOYSA-N	318.848	3.730	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccnc1S	812766603	KTPUBRORTPTILG-UHFFFAOYSA-N	301.415	3.559	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(Cl)cc1)c1ccccn1	814688118	KONSCOMCVIHWTD-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
O=C(NN=C1CC(c2ccccc2)C1)c1cc(Cl)ccc1O	814777183	QAIRJPDVWYDTSN-UHFFFAOYSA-N	314.772	3.709	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccnn2CCC(C)C)cc1F	822763492	SGMMDCSFNPBSEH-UHFFFAOYSA-N	319.384	3.525	50	20	DHGD	
CN(NC(=O)Nc1cccc(COC2CCCCC2)c1)C1CC1	824138970	LGMIYDJAFUBTSP-UHFFFAOYSA-N	317.433	3.667	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C(CC)C2CCC2)cc1OC	834928680	BQZYGBXYJLWELD-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CCCC(=NNC(=O)c1cnn(-c2ccccc2)c1)C1CCCC1	834958646	WPIHGEGLTJKKIZ-UHFFFAOYSA-N	324.428	3.948	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1cn(C(C)(C)C)nc1C	836934434	XYMSBYCODBODRC-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
CCCC(=CC(=O)NNc1cccc(C(=O)OC)c1F)CCC	837060448	CVMZPQBZYZRLLX-UHFFFAOYSA-N	322.380	3.582	50	20	DHGD	
COCCC1(C(=O)NNc2cccc(Cl)c2Cl)CCC1	838345998	FFPSOTZTHSTEFK-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
N#CCCCCCC(=O)NNc1nc2ccc(Cl)cc2s1	856234545	CFBNTIDZZFICOB-UHFFFAOYSA-N	322.821	3.867	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	865216500	CVLQHEXDWWZGFZ-WZUFQYTHSA-N	307.296	3.575	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCc3ccccc32)cc1	887547650	SHNFUGGCKDTTPT-LGMDPLHJSA-N	318.376	3.582	50	20	DHGD	
C[C@@H]1[C@H](c2ccccc2)CCN1C(=O)[C@@]1(C)C[C@H]1Br	906936528	GSOFDBBZMPOWDR-MEWXFMAXSA-N	322.246	3.565	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(CC)CC)c1C	912722385	DRORQQLXPLMWRQ-LFIBNONCSA-N	301.434	3.727	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)c1ccc(C)s1	917027226	ZBBKDDUPPSNJOK-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	1317743753	LJDOJCWBOVDRJQ-JYRVWZFOSA-N	318.332	3.672	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(-c3ccccc3)no2)ccc1F	1319686753	OSXKVZHVSGABQZ-NTEUORMPSA-N	321.311	3.948	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc(/C=C\C(=O)O)cc2)sc1C	1777489490	YLSNFUGDVRSLLR-USTJKHOZSA-N	310.378	3.922	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1	6956460	KYSNEIDCGYLEFY-XDHOZWIPSA-N	304.393	3.781	50	20	DHGD	
O=C(CCc1ccc(Cl)s1)NNc1ccc(F)cc1F	113431855	HJPRGUXPBGZMHE-UHFFFAOYSA-N	316.760	3.756	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1CSc2ccccc21	120139561	RKRNIJFQNXLXNK-CYBMUJFWSA-N	304.802	3.673	50	20	DHGD	
O=C(/C=C/c1ccccc1F)NNc1ccc(OC(F)F)cc1	121922474	KHVCHCBHTKNQHO-BJMVGYQFSA-N	322.286	3.584	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(OCCOC)c1	125469100	SOXKVZRBSCHAKE-VQCBNXJZSA-N	301.386	3.624	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-n3cccc3)cc2)c1	125745412	GWOYUBFNWSUATE-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1CC=CCC1	128915956	CUECJJMQLVRTSW-VIFPVBQESA-N	302.271	3.644	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2Cl)o1	130294877	XYCJOIFOLUQZIN-FLIBITNWSA-N	316.744	3.625	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1c(Cl)cccc1Cl	135871359	MUWWDUYTISSXPE-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCN(c1ccc(C(=O)NNc2cccc(C#N)c2)cc1)C(C)C	152409833	FYWKLEVIGBLTAI-UHFFFAOYSA-N	322.412	3.550	50	20	DHGD	
CCCOc1ccc(CCC(=O)NNc2cccc(F)c2)cc1	154413060	WWMPSXAXFMUQRO-UHFFFAOYSA-N	316.376	3.690	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2CCCc3sccc32)c1	158155991	QOAAWAISTSWHAE-GFCCVEGCSA-N	304.390	3.759	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	188205402	QSUBKVNHBPVWHI-PTNGSMBKSA-N	322.364	3.725	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(F)c(F)c(F)c1)c1ccccc1	255505174	LCHUOBKGFDISAA-YFHOEESVSA-N	306.287	3.651	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(CCC(F)(F)F)cc1	288124832	DFFXZVOIDNMBTM-UHFFFAOYSA-N	314.134	3.715	50	20	DHGD	
CCC[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	302981454	UBRCKFHUAITOBC-GFCCVEGCSA-N	322.474	3.604	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(OC)c1	726119497	ZPJOQLNMWPVYGY-OQLLNIDSSA-N	323.396	3.998	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@@H](C)CC(C)C)c1C	727848238	JXRWKDQEYMAQJG-LBPRGKRZSA-N	321.490	3.693	50	20	DHGD	
C/C(=C\C(=O)NNC(=O)c1ccc2ccccc2c1)C(C)(C)C	742554228	VXCDUQSLPUOSNP-ACCUITESSA-N	310.397	3.593	50	20	DHGD	
CCSc1ccc(C(=O)NNc2c(C)cc(C)cc2C)cn1	743765090	ZENAYLMPIFVFEO-UHFFFAOYSA-N	315.442	3.876	50	20	DHGD	
C[C@H]1CC[C@H](CC(=O)NNc2ccccc2Br)C1	748065958	JSDGHISYZDKAST-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1cccc2c1CCCC2	748589563	ZOOUQJFZMNWAIZ-GOSISDBHSA-N	316.445	3.746	50	20	DHGD	
CC(C)(C)C=NNC(=O)NCc1cccc(C(F)(F)F)c1	755672963	KEQSNZBJPRLNGJ-UHFFFAOYSA-N	301.312	3.537	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@@H]1CCc2ccccc21	755697311	IOGRRJNBPAPKKE-SFHVURJKSA-N	306.409	3.841	50	20	DHGD	
CC[C@]1(C)COCCN1C(=O)CCCC[C@@H]1CCSS1	771375656	SBMAVOMPJOWHTN-UKRRQHHQSA-N	317.520	3.728	50	20	DHGD	
CCCc1ccc(NC(=O)NNc2cnc3ccccc3n2)cc1	775454449	SUUNQWFHJDGSGF-UHFFFAOYSA-N	321.384	3.731	50	20	DHGD	
O=S(=O)(CCCCCl)Oc1cc(Cl)cc(Cl)c1	780668588	CAEKJCZITZUKNK-UHFFFAOYSA-N	317.621	3.721	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1cccnc1Cl	799101125	HDDUDZFGAAJLDD-UHFFFAOYSA-N	315.804	3.762	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H](C)C(=O)c1ccccc1	799755978	WRJLGVMAQPATEJ-HNNXBMFYSA-N	324.424	3.910	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)Cc1cscn1	811457654	FNSSQOTZBXLAIX-UHFFFAOYSA-N	310.850	3.783	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cn(C)nc3C(F)F)[nH]c12	812243774	USGNYSNWXZPUNV-POHAHGRESA-N	313.311	3.607	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1csc([N+](=O)[O-])c1	812767222	GKVIYCPYCIWGLF-UHFFFAOYSA-N	319.386	3.845	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1nc(-c2ccccc2)cs1	814686222	YKIRYPYXVWFXPT-UHFFFAOYSA-N	321.405	3.964	50	20	DHGD	
Cc1nc(-c2ccco2)ccc1C(=O)N(C)CC(Cl)Cl	816628259	NNWBXIBLNUQMRJ-UHFFFAOYSA-N	313.184	3.526	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](F)CC2CCCCC2)cc1	817911172	LIVZSXYDKWDOFS-MRXNPFEDSA-N	308.397	3.837	50	20	DHGD	
CN(NC(=O)Nc1cc(Cl)ccc1OCC1CCC1)C1CC1	824298921	SFBZZOIINGILRM-UHFFFAOYSA-N	323.824	3.650	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2CC23CCSCC3)cc1	828101496	NAPZXUIWMFEWJJ-OAHLLOKOSA-N	318.486	3.961	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1scnc1C(C)C	831243462	OGSMVRWAEDVPDW-UHFFFAOYSA-N	303.431	3.894	50	20	DHGD	
C=CCC1(C(=O)Oc2ccc([N+](=O)[O-])cc2OC)CCCC1	839272225	MKPBPWURDZQMAH-UHFFFAOYSA-N	305.330	3.645	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCCC(F)(F)C1	846358947	FXCKJXYALXJQHJ-LLVKDONJSA-N	309.447	3.958	50	20	DHGD	
CC(C)c1n[nH]c(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	852523464	GIBWXQOIRVIJPT-ZDUSSCGKSA-N	324.545	3.524	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	856094971	BUITVAZMHPXLGB-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
Cc1cc([C@@H]2CCCN2C[C@H](CBr)C2CC2)no1	859060365	QCWSNKXDCULJIA-JSGCOSHPSA-N	313.239	3.541	50	20	DHGD	
CC(CCc1cncc2ccccc12)=NNC(=O)C1CCCC1	872342633	SYIAZRXQUFCANU-UHFFFAOYSA-N	309.413	3.850	50	20	DHGD	
CCC(=NNC(=O)CNc1ccc(C)cc1)c1ccc(C)cc1	915918150	ZMXWYSAIAXWWHG-UHFFFAOYSA-N	309.413	3.646	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)nc1)c1ccc(C)cc1	915973528	PYFMDAHJXQZAKW-UHFFFAOYSA-N	301.777	3.588	50	20	DHGD	
CCNc1ccc(C#N)cc1NC(=O)C1CCC(Cl)CC1	1123756786	XIOUXAROLDELOX-UHFFFAOYSA-N	305.809	3.726	50	20	DHGD	
Cc1nc(COC(=O)[C@@H](Br)C(C)(C)C)c(C)s1	1321209323	XWIORKQDAYJIRS-SNVBAGLBSA-N	320.252	3.613	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(N)cc1	1346738347	GNKUPFMWHLSGPE-UHFFFAOYSA-N	312.417	3.527	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045100	PFJNVIRENPFMDO-NWDGAFQWSA-N	317.389	3.709	50	20	DHGD	
CC(C)[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc(C(=O)O)cc1	1776098937	HLEMOIJJKVLDPJ-DOMZBBRYSA-N	316.401	3.563	50	20	DHGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)o1	2088595982	CBZFFLLEHQALDW-LUYJPIOASA-N	324.380	3.851	50	20	DHGD	
CC(C)(C)CC(C)(C)NC(=O)/C(C#N)=C\c1ccc(O)cc1	6823668	YRWGQYYWUWFLEP-UVTDQMKNSA-N	300.402	3.630	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2c(C)cccc2C)c1	7157804	HTYXDOOIOKETOM-MHWRWJLKSA-N	306.365	3.858	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cc1	23217978	SCDWZYALKZZCIW-GXDHUFHOSA-N	302.333	3.966	50	20	DHGD	
CC(C)(C)OC(=O)NCc1ccccc1CCBr	95930287	QLQAUUXQGNTTLI-UHFFFAOYSA-N	314.223	3.649	50	20	DHGD	
O=C(NNc1ccccc1)c1cc(-c2cccc(Cl)c2)on1	111552860	CXABKYPTSFZTER-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OC[C@H]1CCCCO1	121784664	VBHHOJCKJOQUTH-OLZOCXBDSA-N	304.477	3.813	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1Cl)c1nnc2n1CCCCC2	128697631	VZPKNPARHOUKNV-WQLSENKSSA-N	316.767	3.861	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(Cl)s1	131717848	LBRDHTRIFZDTTF-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cccc(Cl)c2Cl)cc1	155543247	JYFGGEYGTHHJBI-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2ccc(F)cc2C)cc1	160799388	PNLRJOMZDGSIQO-GFCCVEGCSA-N	316.376	3.780	50	20	DHGD	
O=C(/C=C/Sc1ccccc1)NNc1cc(F)c(F)c(F)c1	178548247	RICVBYGNUFBRRV-VOTSOKGWSA-N	324.327	3.853	50	20	DHGD	
C/C(C=NNC(=O)COc1cccc(C)c1)=C/c1ccccc1	252629654	UKWONKDWNFHSPZ-NDSJGCQISA-N	308.381	3.579	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)CCc2ccccc2F)cc1	266972972	AIZDUZBBMXEVIL-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
Cc1ccnc(NNC(=O)CCCc2ccc(Cl)cc2)c1	268023728	LEIHDZAFGVRRPG-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1	303848527	JRAVTFGYUSKSRY-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
FC(F)(F)c1ccc([C@@H]2CO[C@H](CBr)C2)cc1	536958346	ZJBXBTCZRFNBFS-ONGXEEELSA-N	309.125	3.973	50	20	DHGD	
CCOc1cccc(C=NNC(=O)CCCc2ccccc2)c1	727685016	VPMQNMSSSKCBQF-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCc2cc(O)ccc21)c1ccccc1	731931658	MWNUKXFBISBJLF-QGZVFWFLSA-N	322.408	3.743	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccccc2F)C12CCCCC2	741453483	QMIFELCNVCFRTF-MRXNPFEDSA-N	318.392	3.671	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1Br	743438574	NPMGOIVIBPKMHF-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
O=C(CCCc1ccc(Cl)cc1)NNc1ccc(Cl)nc1	743816697	TYDGGZSDRDGKPP-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
CC(=NNC(=O)COc1ccccc1F)[C@H](C)c1ccccc1	746370076	FGSQWTKCRDZZOM-ZDUSSCGKSA-N	314.360	3.500	50	20	DHGD	
COc1ccc(NNC(=O)c2cccc3c(C)c(C)[nH]c23)cc1	746883204	MCOIKFMXRKFHOP-UHFFFAOYSA-N	309.369	3.550	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2ccccc2F)CCCC1	748089783	QNINMFNATFRSBD-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
Cc1cc(OCC(=O)NNc2ccc(C#N)cc2)ccc1C(C)C	748126411	OBHZDRHQQJCZMY-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2nc3ccccc3[nH]2)cc1	768495677	NPQCKMRDCIUMCT-ZDUSSCGKSA-N	322.412	3.762	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CC4(CCC4)C3)cc2C1	772838717	LTGDCXKBURXYTC-LLVKDONJSA-N	302.443	3.923	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1cccc(C#N)c1	775781400	LFCBWGFAPFQBCZ-HNNXBMFYSA-N	307.397	3.660	50	20	DHGD	
N#C/C(=C\c1cccc(Br)n1)C(=O)c1ccsc1	777915741	QWHQEXQUYHBZBB-UXBLZVDNSA-N	319.183	3.695	50	20	DHGD	
N#CC1=CCN(C(=O)c2cccc(Nc3ccccc3)c2)CC1	780685761	RTJFOFLXQWKVCZ-UHFFFAOYSA-N	303.365	3.726	50	20	DHGD	
C[C@H](NC(=O)NN(C)c1ccccc1)c1cc2ccccc2o1	786144451	HSPBVBACFYWFHH-ZDUSSCGKSA-N	309.369	3.844	50	20	DHGD	
C[C@H](CC(=O)NN(C)c1ccccc1)c1c[nH]c2ccccc12	787865030	QEOARHZOGCJFAE-CQSZACIVSA-N	307.397	3.829	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(F)cc1OC)c1ccccc1	788188043	FRXRWJWFUCGFKS-ZDUSSCGKSA-N	316.376	3.861	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1ccc2ccccc2n1	790136571	LYKIMUBCQRBWNN-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
Cc1ccc2c(c1)CCN(C(=O)[C@@H](Br)C(C)(C)C)C2	790988446	QLAOKBVRAPLUAA-CQSZACIVSA-N	324.262	3.689	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cncnc1C(C)C	794949030	NLSDFIOJHUQQHK-UHFFFAOYSA-N	312.417	3.789	50	20	DHGD	
CSSCCNC(=O)c1c[nH]cc1-c1ccccc1F	803472340	ZWAOMDWKQQBUJX-UHFFFAOYSA-N	310.419	3.562	50	20	DHGD	
CC(C)(C)C[C@H](O)CNCc1ccc(OCCCCl)cc1	811479491	ICTYWGMENDPVAF-HNNXBMFYSA-N	313.869	3.581	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CC(c3ccccc3)C2)cc1C	814721634	NGWHKHYBYMXGMY-UHFFFAOYSA-N	322.408	3.732	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1nc(-c2ccccc2)cs1	814801837	SOIRQCIDAOACQW-UHFFFAOYSA-N	313.426	3.841	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc([C@@H]3C[C@H]3C)o2)cc1	814999025	IFWQBEPTBJHWFZ-IAQYHMDHSA-N	313.357	3.567	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(C(F)(F)F)cc1)C1CC1	815853421	JWKBJLWGJLMYLL-UHFFFAOYSA-N	300.324	3.975	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1ccn(CCC(C)C)n1	821954365	SIRBZCUBNSGLKW-UHFFFAOYSA-N	319.384	3.525	50	20	DHGD	
CCCC[C@](C)(F)C(=O)NNc1ncc(Cl)cc1Cl	832395598	OUBDMQHVGBEADR-LBPRGKRZSA-N	308.184	3.750	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cccnc2N2CCCC2)cc1	837056713	SBZCDYGDOTWPHU-UHFFFAOYSA-N	324.428	3.562	50	20	DHGD	
CC(C)O[C@H]1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)C1	837722603	RAZXQJQVATUAAW-MJBXVCDLSA-N	317.520	3.773	50	20	DHGD	
Cc1cc(CNC[C@@]2(C)C[C@H]2Br)cc2cccnc12	856808694	DDURXJBQJXTMEM-GDBMZVCRSA-N	319.246	3.806	50	20	DHGD	
Cc1cc([C@H]2CCCN2C[C@H](CBr)C2CC2)on1	859079748	WMXPQVWEZYCGRT-QWHCGFSZSA-N	313.239	3.541	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=Cc2ccsc2)c1	915906667	DTQMZCVICLYBNL-UHFFFAOYSA-N	316.426	3.709	50	20	DHGD	
Cc1ccc(CN(C)/C(=C/C#N)c2cccc([N+](=O)[O-])c2)cc1	916148307	VGOOVCHOKCXKMM-VCHYOVAHSA-N	307.353	3.900	50	20	DHGD	
CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1ccccn1	916278828	XRWCGVSJDLCJSR-UHFFFAOYSA-N	311.429	3.528	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1nc2ccccc2s1	916828144	SJIISEREJLMANX-GXDHUFHOSA-N	320.373	3.947	50	20	DHGD	
CCOC(=O)/C(C#N)=C\NCc1cccc(Oc2ccccc2)c1	917601025	GRKPEKPCOYIJBE-PEZBUJJGSA-N	322.364	3.539	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2ccc(F)cc2Cl)cc1	1317729199	BRCBAAVKBOSGEC-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C[C@H](C#N)C(C)C)cc1	1322872989	XNQDLXRPVBFRDH-KRWDZBQOSA-N	322.412	3.606	50	20	DHGD	
CC1(C)CN(C(=O)C2CCC(Cl)CC2)[C@@H]1c1cccnc1	1349866968	FLXWXDFNPZNIIT-PESDSKBTSA-N	306.837	3.789	50	20	DHGD	
Cc1cncc([C@H]2CCCN2C(=O)C2CCC(Cl)CC2)c1	1352587421	YKMSHJJPRQXJDP-AVVWSFFYSA-N	306.837	3.851	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc(C(=O)O)c(F)c2)sc1C	1777489459	TVYOTKRPFYTUBV-VZUCSPMQSA-N	302.330	3.661	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C\C(=O)O)o1)c1nc2ccccc2o1	1777566117	OVSLKRSPAACNFJ-JCBKOVKPSA-N	306.277	3.583	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)Nc1nccs1	42755360	KPKQUYBVPDMKSK-UHFFFAOYSA-N	303.174	3.599	50	20	DHGD	
N#CCc1cccc(C(=O)NNc2ccccc2C(F)(F)F)c1	45080359	NWRMVHOICVKQAW-UHFFFAOYSA-N	319.286	3.528	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	98002999	JQZYEIJWRXNLKA-RAXLEYEMSA-N	312.369	3.763	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(Br)ccc2F)cc1	120439084	YARDEEKMRIBSCW-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(Cc1ccc(F)cc1Cl)NNc1cccc(Cl)c1	134725872	OFTGLUYYMKMVEO-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cn2)c(C)c1	153139242	RLDZVNIABDZMOK-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc(F)cc2C)cc1	161056669	PZYIDAAJYMSYNL-UHFFFAOYSA-N	304.390	3.678	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1SCCc2ccccc21	173282521	HVQLCZVNEKEBPN-HNNXBMFYSA-N	318.829	3.814	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cccc2c1CCC2	175415786	OPEOFAFDNWVXOW-UHFFFAOYSA-N	304.752	3.725	50	20	DHGD	
COc1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1C	175431116	NADGBSOGLSHZHW-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCC(=CC(=O)NNc1ccccc1OC(F)(F)F)CC	190179081	BFZDZVIIXVVAEN-UHFFFAOYSA-N	302.296	3.775	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])Nc1ccc(F)cc1Cl	193515755	KZIABBLFUBRUKB-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1cccc(NNC(=O)COc2ccccc2C(C)(C)C)c1	216803086	TUWIMTYZPNSTCS-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1cc(F)cc(F)c1	254986955	RJLOJBOXNCBGBD-WZUFQYTHSA-N	302.255	3.650	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(OC)c(OC(F)F)c1	263676985	NTGIEJKIURMYQA-BZPKPHBRSA-N	309.312	3.819	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(Cl)nc2)c(C)c1	490725706	JMTSUAXRGLQOFX-ZSOIEALJSA-N	311.772	3.898	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2c(F)cccc2F)o1	588554930	FEUQPLDBOUBDNP-FLIBITNWSA-N	323.320	3.524	50	20	DHGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNc1ccccc1Cl	729621422	JAISIZAZXRIUEN-OAHLLOKOSA-N	315.804	3.962	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)c2cccc3ncccc23)c1	730146352	RZPYDGWTHYPDBW-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)Cc2c[nH]c3ccccc23)o1	732767192	VGQQNAAMMJUDJJ-BLLLJJGKSA-N	321.380	3.577	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1ccccc1OC(F)F	734264502	CYLONUVDIARUPA-NSHDSACASA-N	321.327	3.675	50	20	DHGD	
O=C(CC(F)(F)F)NN=C1CCC[C@@H]1c1ccc(F)cc1	741162469	DYVVLTJPBGOVMT-LLVKDONJSA-N	302.271	3.518	50	20	DHGD	
O=C(NN=Cc1cccc(F)c1F)c1cccc2ccccc12	741463032	UYXSISXSOUYNMX-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)COc2ccc(C)cc2)s1	744743604	COVOHIWQNLTBLP-UHFFFAOYSA-N	316.426	3.538	50	20	DHGD	
CCc1ccc(CCNC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	752425561	ILEGAKCRTNEWGM-AQTBWJFISA-N	322.383	3.654	50	20	DHGD	
Cc1ccc(Cl)cc1C(=O)NNc1cc(F)c(F)cc1F	753657114	WZZYYCWAMHOUBP-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
COc1cc(Cl)c(C=NNC(=O)OC(C)(C)C)cc1Cl	753922517	SRSKTQJHDIAFCM-UHFFFAOYSA-N	319.188	3.861	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ncccc1C(F)(F)F	762247976	RDOGKZKPYVWLSY-SECBINFHSA-N	303.328	3.616	50	20	DHGD	
C#CC[C@H](NC(=O)NNc1c(C)cccc1F)c1ccccc1	771345924	WVBBTUIBMHDRRB-INIZCTEOSA-N	311.360	3.525	50	20	DHGD	
CCSc1cc(Cl)ccc1C(=O)NCCCSC#N	773594352	RMPONIOTARDDCL-UHFFFAOYSA-N	314.863	3.786	50	20	DHGD	
CC(C)c1ccccc1NC(=O)NNc1cnc2ccccc2n1	775387399	AFLBUBOYQFFWKD-UHFFFAOYSA-N	321.384	3.902	50	20	DHGD	
Cc1ccc(NC(=O)NN=CCC2CCOCC2)c(Cl)c1	788717414	YSTZSRSMMDLCPN-UHFFFAOYSA-N	309.797	3.572	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cc(Cl)cc(Cl)c1	790596902	QBONJKUOGCHPNO-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(/C#N)C(=O)[C@@H]1CCCOC1	794881454	CVSMBYPYHWMIPY-CKXDQPNJSA-N	319.788	3.641	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNc1cccc(F)n1	804771573	DMSVZUZBXZLQAN-OLZOCXBDSA-N	313.376	3.653	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1CCCSC1	810679278	PAYUOMBRBHYLGR-QMMMGPOBSA-N	305.230	3.580	50	20	DHGD	
Cc1cc(OC(=O)c2cc(F)ccc2Cl)ccc1[N+](=O)[O-]	815912404	LHBKZKBSHMSGDC-UHFFFAOYSA-N	309.680	3.915	50	20	DHGD	
O=C(CCc1ccc(Cl)s1)NNc1cccc(Cl)n1	817006194	AIJNYVGHQMWNMH-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@]1(C)CCC[C@H]1C	840544494	AIWPDLWWGLJKLT-BMIGLBTASA-N	310.829	3.523	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)o1	843271442	BZZMMKNSFZTTCA-XFFZJAGNSA-N	314.366	3.854	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc2cnccc2o1)C1CCCCC1	844275250	VBCLCOICYYBKAT-LCYFTJDESA-N	309.369	3.526	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)N[C@@H]1CCCc2occc21	853398471	DXEZEEAGLPHNOC-CYBMUJFWSA-N	323.755	3.776	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCCc2sccc21	855367208	QOBODGUMOOLPPR-CYBMUJFWSA-N	304.390	3.759	50	20	DHGD	
BrC[C@@H](CN1CCC[C@@]2(CCSC2)C1)C1CC1	859327248	LUDQSRMRTZTAFL-UONOGXRCSA-N	318.324	3.627	50	20	DHGD	
Cn1cnc2cccc(C(=O)NNc3ccc(C(C)(C)C)cc3)c21	863904467	RTBNSBGKEJFOPG-UHFFFAOYSA-N	322.412	3.628	50	20	DHGD	
Cc1ccccc1NNC(=O)Cc1csc(-c2ccccc2)n1	865487452	OXADTTHREDMRMS-UHFFFAOYSA-N	323.421	3.804	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)CNc1ccc(C)cc1	915921985	SXTCNRUEROGZGK-UHFFFAOYSA-N	309.413	3.532	50	20	DHGD	
Cc1cnc([C@H](C)NC(=O)NNc2ccc(Cl)c(C)c2)s1	921347762	ZGJJYKCVPYUCFU-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1noc2c1CCCCC2	928337160	LVIVHUMPTUWGMC-UHFFFAOYSA-N	319.792	3.662	50	20	DHGD	
CCc1ccc2nc([C@H]3CC[C@@H](Br)C3)nc(O)c2c1	1116796989	LMONHOXTMIORKP-WDEREUQCSA-N	321.218	3.929	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776708272	BHBPKMYWHBZWLM-WZUFQYTHSA-N	307.296	3.575	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2OC)cc1	5712936	SNHDOWDNDVZTCO-NTCAYCPXSA-N	322.364	3.640	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)c1	7211405	BPKVUFUDKQNCHS-CXUHLZMHSA-N	307.349	3.808	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@@H](c2ccccc2F)C1	79319892	PEXCWFPMHLAYPF-SZVPOVDMSA-N	308.356	3.764	50	20	DHGD	
O=C(NNc1ccc(Br)cc1Cl)C1CCCC1	104122775	CISINGQPSNVSFH-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)N(C)C1CCCCC1	112224648	BBJLTQYLXZALQW-SSZFMOIBSA-N	312.413	3.783	50	20	DHGD	
O=C(COc1ccccc1Cl)NNc1ccc(Cl)cc1	120399880	SRYZHGIDWJSSDK-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
CCCc1ccc(C(=O)CCC(=O)NNc2ccccc2)cc1	120447487	UCAICARWGKADKA-UHFFFAOYSA-N	310.397	3.745	50	20	DHGD	
O=C(C[C@H]1CCCCO1)NNc1c(Cl)cc(F)cc1Cl	124272789	OYJWTUKEKYKGFN-SECBINFHSA-N	321.179	3.535	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@H]1c1ccc(F)cc1	124477842	NVTJJEAZTQVZDA-STQMWFEESA-N	304.752	3.726	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1C[C@H]1c1cccc(Cl)c1	128646549	WXSYDHIOZNZKED-NWDGAFQWSA-N	322.195	3.635	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccccc2[N+](=O)[O-])ccc1[N+](=O)[O-]	180571970	NDMPVQFOFMOGKQ-ZROIWOOFSA-N	309.281	3.876	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cccc2[nH]ccc12	181276958	PQAPGZSANQMKKR-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(F)ccc2C)cc1	182055099	RJSMHNCFNDAZCF-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)C(C)C)c1C	193535408	BTUDQUWBLNGYLF-GZTJUZNOSA-N	301.434	3.679	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2cccc(Cl)c2)ccc1C	193758576	SRFJUXBCUOFMCB-UHFFFAOYSA-N	302.761	3.608	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)ccc1C	194526174	XJXYFKARFYREIT-LFIBNONCSA-N	312.413	3.702	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCO[C@H](c2ccccc2)C1	255344907	YWLPOZNTPPATJW-VBIXMBBUSA-N	308.356	3.764	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2cc(C)ccc2C)c1CC	277459534	YDGBABMVCYRJIM-UHFFFAOYSA-N	314.433	3.619	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)c1cccc2ccccc12	303808957	BOBDAYPFZHEZIA-UHFFFAOYSA-N	312.413	3.961	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(C)c(OC)c2)cc1	490977426	TUERZRXUDBBVFE-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccnc(N(C)C)c1	731561703	SKGVRFOHYZOTPC-XBVMLKOGSA-N	314.433	3.556	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)NC(C)C)s2)cc1	745006433	WBTFTGJBXJNMGO-UHFFFAOYSA-N	301.415	3.765	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2cc(F)c(F)c(F)c2)C1	746701044	GCXAFEXWYABQBC-NXEZZACHSA-N	300.324	3.763	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCCc2ccccc21	750033905	ZDTVPRPQVMRWQF-WQRHYEAKSA-N	305.337	3.912	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@@H]2CCCCC2(C)C)c1	752147213	KZBHSWMLKJSVOW-LBPRGKRZSA-N	308.397	3.884	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(F)c1)c1ccc2ccccc2c1	755654762	KXNFPFKKJCWRGL-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
O=C(C=C(C1CC1)C1CC1)NNc1cccc(C(F)(F)F)c1	762796808	QXISUGYAYCKDCC-UHFFFAOYSA-N	310.319	3.895	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1ncnc2ccsc12	766677071	WTCIQPQPDNDHMJ-NSHDSACASA-N	306.435	3.741	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(O)c(F)c1	768312407	ZMAXYDJYLOIBKH-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
COc1cc(C)ccc1NC(=O)NNc1c(F)cccc1Cl	771133286	LORKXDSLLKPNBN-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
C=CCC[C@@H](NC(=O)NNc1cccc(C#N)c1)c1ccccc1	772622107	BOJIYAZXAZAXIK-GOSISDBHSA-N	320.396	3.892	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	780513116	WMCSNFKGKDECHR-VHSXEESVSA-N	322.796	3.515	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)cs1)c1nc(-c2ccccc2)no1	782199581	HVAJDVOQNLNZIT-IZZDOVSWSA-N	323.333	3.560	50	20	DHGD	
CC[C@H]1CCC[C@H](C=NNC(=O)CCc2ccccc2O)C1	783841681	JYCRXTSZYAIRCO-GJZGRUSLSA-N	302.418	3.643	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1cccc(C(F)F)c1	790706840	DSMCVAFONJEEEH-VIFPVBQESA-N	321.161	3.741	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(-c2cccs2)nc1C	791216198	KKBBVNQFVYWAEF-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)c1c[nH]c2ccccc12	794858253	BHECVQPTNGWWBY-CQSZACIVSA-N	318.380	3.616	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cscc1Br	794880161	PZOYVLLYYIFTHE-UHFFFAOYSA-N	323.215	3.583	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1/C=C(/C#N)C(=O)[C@H]1CCCOC1	794881843	DTEFKAMLAZHJJU-IAOKNECISA-N	323.314	3.917	50	20	DHGD	
CCCN(N=Cc1cc(OCC)ccc1O)C(=O)OC(C)(C)C	794997657	ZUHSTJUXYSOBFM-UHFFFAOYSA-N	322.405	3.772	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)c1ccoc1	798230075	KNDUKXXBBLSYCA-VZUCSPMQSA-N	320.117	3.971	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCC[C@H]1CCCCO1	799622019	CVAKGYAQWJJGBF-MRXNPFEDSA-N	319.449	3.533	50	20	DHGD	
CCOC1CC(C(=O)NN(c2ccccc2)c2ccccc2)C1	807922802	XLFKWAQJNWEWGE-UHFFFAOYSA-N	310.397	3.671	50	20	DHGD	
Cc1ccc(OCCCC(=O)N(C)CC(Cl)Cl)cc1C	808247940	XCQUXFUXBYPNIR-UHFFFAOYSA-N	318.244	3.725	50	20	DHGD	
Cc1nc(CNCc2ccc(OCCCCl)cc2)cs1	811472392	DMXVUWPHTBRARA-UHFFFAOYSA-N	310.850	3.749	50	20	DHGD	
C[C@@H](Oc1cccc(C(C)(C)C)c1)C(=O)NCC(Cl)Cl	816605595	FPRGIZXEDZNNGO-SNVBAGLBSA-N	318.244	3.671	50	20	DHGD	
CCOc1ccc(NNC(=O)CO[C@H]2CCCC[C@@H]2CC)cc1	817885673	JAJDMYLBQFEWIS-YOEHRIQHSA-N	320.433	3.514	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@]2(C)CCc3ccccc3C2)cc1	817925908	WJHCIRSPWXRCEK-FQEVSTJZSA-N	324.424	3.724	50	20	DHGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747946	ORCQVGFODRXNTR-WPRPVWTQSA-N	302.205	3.658	50	20	DHGD	
Cc1cccc2sc(NNC(=O)C[C@H](C)c3ccco3)nc12	828352018	JENCPQLQEDWGDH-NSHDSACASA-N	315.398	3.835	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cnn(-c2ccc(OC)cc2)c1	834430622	UIAHLXMNMPPAHU-KNGSKEOJSA-N	323.396	3.793	50	20	DHGD	
Cc1c(C(=O)N(C)CC(Cl)Cl)oc2c(F)cccc12	848080068	BPPVXZGGGCLUBP-UHFFFAOYSA-N	304.148	3.756	50	20	DHGD	
C[C@@H](C(=O)NCCCSC#N)c1ccc(Cl)c(Cl)c1	854361405	CLYJUVHABCXMLB-SECBINFHSA-N	317.241	3.817	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NC[C@@]1(C)C[C@H]1Br	857393112	IXGILNGZZPHPQU-CZUORRHYSA-N	324.262	3.562	50	20	DHGD	
Cc1c(C(=O)NC[C@]2(C)C[C@@H]2Br)oc2ccccc12	857403943	KLRJHVMPXVMEQU-WFASDCNBSA-N	322.202	3.645	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1[C@H]2Cc3ccccc3[C@@H]21	860322633	LXNABNYORJKIFO-YSIASYRMSA-N	318.420	3.594	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NCC2CC=CC2)c1C	862628049	RVZNMMSQZNHRDS-WQRHYEAKSA-N	311.429	3.504	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1	916132174	WQQDDTYTXJJHKF-GDNBJRDFSA-N	303.321	3.809	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1[N+](=O)[O-]	1116001855	PODCWDSIHLIIAN-ZROIWOOFSA-N	322.320	3.702	50	20	DHGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)c2ccccc2Cl)CS1	1327798360	VFRXYDRKTJQUFN-ZDUSSCGKSA-N	310.850	3.977	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccc2Cl)c(C)n1C1CC1	1328384423	KBVVKQCCSCVMCA-UHFFFAOYSA-N	315.804	3.857	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@](O)(c2ccccc2)C1	1328957276	NEQGNRAOWRQOKE-DEWISIQVSA-N	322.383	3.674	50	20	DHGD	
COc1ccc(C(=O)NN=C[C@@H](C)c2cccc(Cl)c2)cc1	1341342564	ORUBURNJYUDHML-GFCCVEGCSA-N	316.788	3.868	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1ccc(C(=O)O)c(F)c1	1608302041	ANNBOZSTXFWQIK-UHFFFAOYSA-N	322.380	3.718	50	20	DHGD	
N#C/C(=C/c1ccc(C(=O)O)o1)c1nc(-c2ccncc2)cs1	1610619176	RNGWKZPCAWJDOQ-XFFZJAGNSA-N	323.333	3.560	50	20	DHGD	
N#C/C(=C\c1cccc2ccccc12)C(=O)Nc1nccs1	3590781	XJZBPYZWOBGHIU-GXDHUFHOSA-N	305.362	3.842	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cnn(C)c3)n2)cc1	66407891	HMNRYCQRXXFODG-AUWJEWJLSA-N	322.393	3.616	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Oc2cccnc2)c(C)c1	67182364	QOBDQTFKHGJYAH-KAMYIIQDSA-N	323.352	3.565	50	20	DHGD	
COc1ccccc1[C@H](C)CC(=O)NNc1c(F)cccc1F	118512446	IOIPXCRPBDINNE-LLVKDONJSA-N	320.339	3.610	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2ccc(F)cc2)CCC1	154881572	XYNCMKFVNKXVRW-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
ClC[C@@H](Br)[C@@H](CCl)OCc1ccccc1	158132784	LDLUQWSHLINSBI-GHMZBOCLSA-N	312.034	3.813	50	20	DHGD	
O=C(Cc1c[nH]c2cc(F)ccc12)NNc1ccccc1Cl	158419060	LVYOTPQONCOWGO-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(Br)cc1	160813214	DHQNUCJBMLWJTL-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(-n2cccc2)cc1	160832046	KPMGATPWNZNCJB-UHFFFAOYSA-N	309.344	3.682	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H](C)Oc1ccccc1Cl	160902232	PVNWAHKNQNRXJZ-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc2[nH]cnc2c1	178839164	PGYRPEGPZQBSLO-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
C[C@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccc(C#N)cc1	196698393	RONYJTUWKCCHRJ-GWCFXTLKSA-N	323.234	3.545	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2cccc3ccccc23)s1	254825905	UQANRNMEXYNLGZ-UHFFFAOYSA-N	308.406	3.903	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1ccc(-c2cccc(Cl)c2)s1	255375419	VKOQYISAHBEKAK-JYRVWZFOSA-N	323.826	3.978	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)OCC	270234509	OXLJGFXHLFWPDJ-ZDUSSCGKSA-N	316.323	3.520	50	20	DHGD	
C[C@@H]1C[C@@H](C(=O)NN(Cc2ccccc2)c2ccccc2)CCO1	271876376	LLWSDCOTSQRFTO-AEFFLSMTSA-N	324.424	3.540	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)OCC(F)F)c(C)n1CCC(C)C	729074705	HEFNUBXBNUJKDR-OVCLIPMQSA-N	324.371	3.866	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cc(C)c(F)c(C)c1	741461612	MJMOVHIHURPQQQ-UHFFFAOYSA-N	319.767	3.645	50	20	DHGD	
C=CC[C@H](C)C(C)=NNC(=O)c1cccc(Br)c1	741767834	NRQYLIBNWJCINI-JTQLQIEISA-N	309.207	3.767	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)n2cnc3ccccc32)c(C)c1	743763619	AVLKDMWPPCODGH-OAHLLOKOSA-N	322.412	3.666	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccccc2Br)c1F	748066547	YNKWQQAPOOFUDO-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccc(Br)cc1C	748740902	QYGUAWMOTCTLSU-NTMALXAHSA-N	311.223	3.947	50	20	DHGD	
Cc1oc2ccccc2c1C=NNC(=O)c1c[nH]c2ccccc12	758095638	XWSMDILAJBBAGX-UHFFFAOYSA-N	317.348	3.986	50	20	DHGD	
CCCCOc1cc(/C=C(/C#N)c2ccncn2)ccc1OC	758914673	IILDZNVNYPGULJ-GDNBJRDFSA-N	309.369	3.728	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CCC[C@@H]3C)n[nH]2)cc1	764787993	SXMZAVOQIVHQQO-LBPRGKRZSA-N	310.401	3.545	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)c1ccc(O)c(Cl)c1	764908846	DYRDPBZOVNZNAN-UHFFFAOYSA-N	322.817	3.846	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CC[C@H](C)[C@@H](C)C1	767355152	CXFRXMADAIBFBZ-QWRGUYRKSA-N	308.809	3.891	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccccc2)cc1Br	767894321	ZDJIRPMVIXTZHC-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)cc1	768495461	IYMKYCZCPPFJEQ-LBPRGKRZSA-N	308.385	3.833	50	20	DHGD	
CC1(C)CCC(C(=O)NNc2ccc(-c3ccccc3)nn2)CC1	769180363	QVMXNIPVALBPNP-UHFFFAOYSA-N	324.428	3.803	50	20	DHGD	
COC1CCC(CC(=O)NNc2c(F)cccc2Cl)CC1	770197722	JXMIOHJAAWKNOE-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
Cc1c(C(=O)NCCCSC#N)oc2ccc(Cl)cc12	773588988	RFLZCVXGXIOUEQ-UHFFFAOYSA-N	308.790	3.729	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)Nc1ccc(F)c(Cl)c1	775394172	LALXXNYKUIUTPS-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(O)nc(C(C)C)c2)c(C)c1	775544188	BBGCNXBRFMSCHP-UHFFFAOYSA-N	313.401	3.593	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2c(F)cccc2F)cc1	775702436	KVCGEZFEXGADHS-UHFFFAOYSA-N	321.327	3.902	50	20	DHGD	
Cc1ccc2c(c1)CCCN2C(=O)/C(C#N)=C/c1ccc(O)cc1	776615096	LSZJNALITAQKDG-SFQUDFHCSA-N	318.376	3.587	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)C1CCC(F)(F)CC1	788715022	UQOWBEMNYUBDGK-UHFFFAOYSA-N	310.344	3.632	50	20	DHGD	
CSSCCNC(=O)C1(Cc2ccc(Cl)cc2)CC1	791150883	WLSPONZKZNWHLG-UHFFFAOYSA-N	315.891	3.790	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	792807808	UMCCJIIIQDFUCZ-DKENDCILSA-N	320.477	3.567	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccccc1Br	797339735	VEKMPWJQZVOXJM-RAXLEYEMSA-N	321.218	3.662	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1ccc(O)c(Cl)c1	797402533	FVKVYZOAFXWMGU-WDEREUQCSA-N	308.809	3.978	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@@H]1C[C@H]1c1ccc2ccccc2c1	804767364	JKBNFOTWWBXVMO-JKSUJKDBSA-N	321.355	3.621	50	20	DHGD	
CC1(C)CCN(S(=O)(=O)CCCCCl)c2ccccc21	808127711	QSIKPGQNISFVAT-UHFFFAOYSA-N	315.866	3.523	50	20	DHGD	
CCCOc1ccc(Cl)cc1C(=O)NCC(Cl)Cl	808129092	KDQWTJOCKLIOAO-UHFFFAOYSA-N	310.608	3.662	50	20	DHGD	
Cc1ccc(F)cc1C(=O)NNc1ccccc1C(F)(F)F	809707619	JNEDDOKOCAQULQ-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(F)c3C#N)[nH]c12	811691819	SDDDBCRHLIODQE-JYRVWZFOSA-N	302.312	3.946	50	20	DHGD	
Cn1c(NNC(=O)c2ccc(C3CCC3)cc2)nc2ccccc21	816576885	MYJPJPGIFGWDDJ-UHFFFAOYSA-N	320.396	3.598	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N(C1CCC1)C1CCC1	817049450	ZDHORODWQACMGP-GFCCVEGCSA-N	302.256	3.730	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCC[C@@H]1CC1(Cl)Cl	820571220	HHDFSJJAZHYRGR-LLBKUYECSA-N	310.180	3.721	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCCOc2ccc(F)cc2)c1	821868745	VSLLODKYPXWIDA-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
O=C(NNc1ccnc(F)c1)[C@@H]1CCCC[C@@H]1c1ccccc1	828123322	RUJYGXJUJXPGRW-HZPDHXFCSA-N	313.376	3.638	50	20	DHGD	
Cc1ccc(NNC(=O)c2oc(C(C)C)nc2C)c(Cl)c1	836935006	MMLBOTOXZWHIHV-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)nc2)cc1	840720974	QNNOLZAYCBQBOH-CXUHLZMHSA-N	305.381	3.872	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@H](OC(C)C)c1ccccc1	855370314	UWAKTNDHLAQXPX-QGZVFWFLSA-N	316.376	3.744	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)OC[C@H](CBr)C2CC2)o1	859577653	YXGCRMHORPCEFV-JQWIXIFHSA-N	315.207	3.656	50	20	DHGD	
C[C@]1(C(=O)NNc2ccc(Br)cc2)C[C@H]2CC[C@H]1C2	860317085	OVVHZHSBYQAVOT-PGUXBMHVSA-N	323.234	3.719	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C[C@H](C#N)C(C)C)cc1	1319381989	WYUOFKQTPLMDDE-INIZCTEOSA-N	315.417	3.623	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCC(F)F)c1C	1337865001	PFANRGHLCLXNOS-XNTDXEJSSA-N	323.387	3.583	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1ccc(F)c(F)c1F	106285262	VVEZZFQNAIDOFX-UHFFFAOYSA-N	324.302	3.648	50	20	DHGD	
Cc1c(CNC(=O)NNc2ccccc2)oc2ccc(F)cc12	114944787	WUQFTHUTCLXXTA-UHFFFAOYSA-N	313.332	3.707	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNc1ccc(C(F)(F)F)nn1	123961398	ANXZMYQYOGUTGC-JTQLQIEISA-N	318.343	3.545	50	20	DHGD	
Cc1ccsc1C(=O)NNc1ccc(C(F)(F)F)cc1	153819065	WBFNXFAESMZBPL-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1csc(-c2cccs2)n1	154342249	NTMXULDKZXNHDP-UHFFFAOYSA-N	319.386	3.768	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@@H]2SCCc3ccccc32)c1	158660744	ZHIBOPKVMQSEJE-QGZVFWFLSA-N	312.438	3.777	50	20	DHGD	
CCN(CC)[C@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	158902853	QPGHMNACSTXGDU-SFHVURJKSA-N	311.429	3.521	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)Nc2cccc3ccccc23)c1	160147853	FCKBJBZBCXZYMY-WJDWOHSUSA-N	301.349	3.724	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)s2)cc1	176401460	COCCDHCWJXLDAK-FMIVXFBMSA-N	323.377	3.564	50	20	DHGD	
N#C/C(=C/c1cc2ccccc2s1)C(=O)Nc1ccncc1	180565562	CHJLWELEOWLZCP-RAXLEYEMSA-N	305.362	3.842	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C[C@@H]1c1c(F)cccc1Cl	289079479	OAWOLJBZRMQEQR-NKWVEPMBSA-N	310.583	3.503	50	20	DHGD	
ClCCCOc1ccc(CN[C@H]2CCO[C@@H](C3CC3)C2)cc1	367945151	UZBQVNIAEUQXPC-FUHWJXTLSA-N	323.864	3.742	50	20	DHGD	
N#C/C(=C\c1ccc2ncccc2c1)C(=O)Nc1ccc(F)cc1	490562763	DJAALCQGOJGYRY-RVDMUPIBSA-N	317.323	3.920	50	20	DHGD	
CCCN(N=Cc1ccc(C#N)c(OC)c1)C(=O)OC(C)(C)C	495613620	RSTYJEZVFCPTAU-UHFFFAOYSA-N	317.389	3.548	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H](c2ccccc2)C1	588429979	DDYTUNIDOONHCO-ZCWPUFOUSA-N	320.367	3.749	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(c2cn[nH]c2)CC1	616619511	KNEDCQLIWOMHBC-UHFFFAOYSA-N	309.530	3.611	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=O)c1ccc2ccccc2c1)C(C)C	729321709	MDSYKUHEZAFDHJ-AWEZNQCLSA-N	312.413	3.673	50	20	DHGD	
O=C(CCOc1ccccc1)NN=C1CC[C@H]2CCCC[C@@H]2C1	747051694	RMCGGYOVAVRQPL-HZPDHXFCSA-N	314.429	3.918	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(F)c(C(F)(F)F)c1	755698522	RNNNZQGLVVJYAN-UHFFFAOYSA-N	304.287	3.731	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ccccc2C(F)(F)F)n1	761865075	NODQULIQIDKRCW-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CCC[C@H](CC)NC(=O)NNc1ccccc1OC(F)(F)F	779546493	XHIOMGMKSBTGFY-JTQLQIEISA-N	319.327	3.790	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2ccc(C(C)(C)C)cc2)cc1	780805871	GBRCHXDVFOHYEJ-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
CN(CC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccccc1	780808702	LHUHUGKPRJFLSF-UHFFFAOYSA-N	311.429	3.564	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)[C@@H]1CCCCS1	783646506	XFDLZVRLCGUPRD-AWEZNQCLSA-N	321.833	3.617	50	20	DHGD	
CC(C)CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	787262965	MLVPOJKYJGIXEB-ATVHPVEESA-N	320.392	3.988	50	20	DHGD	
CC(=NNC(=O)Cc1ccncc1)[C@@H](C)c1ccc(Cl)cc1	794515459	ZMICWCCJUXPIJY-GFCCVEGCSA-N	315.804	3.573	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)C2CCOCC2)cc1	794958800	OXBUHKGEKPRFSC-GHRIWEEISA-N	313.397	3.768	50	20	DHGD	
CC[C@@H]1C[C@H]1NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	798095393	SOBKNRREVPWSLJ-ZYGBGUMDSA-N	313.445	3.583	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1occc1Br	799758241	CONLRBMXEOJLNU-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(F)c(F)c(F)c1	799760678	MOQNOSSPDWJWEO-UHFFFAOYSA-N	308.303	3.732	50	20	DHGD	
CCc1ccccc1OCCC(=O)NNc1cc(C)cc(C)c1	802826546	HHRVLVAISHXSQB-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1cc2ccccc2s1	805472699	MWCCSIXRRWTEPH-UHFFFAOYSA-N	324.409	3.716	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc2[nH]ccc2c1	811635070	LANLHTVWDVUWPB-UHFFFAOYSA-N	311.772	3.514	50	20	DHGD	
CN(NC(=O)CCCc1ccc2c(c1)-c1ccccc1C2)C1CC1	819646142	KZKVDMLZVLEYMS-UHFFFAOYSA-N	320.436	3.706	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1C[C@@]12CCCc1ccccc12	819843465	MDTHXVXCDXJCAJ-XJKSGUPXSA-N	312.240	3.543	50	20	DHGD	
C[C@H]1CC2(CCOCC2)CN1CCO[Si](C)(C)C(C)(C)C	830603082	GLIOZKADQLXLKQ-HNNXBMFYSA-N	313.558	3.899	50	20	DHGD	
C[C@H](C(=O)NCC(Cl)Cl)c1ccc(C(F)(F)F)cc1	837646096	NTTJXYHSYUJFFD-ZETCQYMHSA-N	314.134	3.729	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cc(C3CC3)no2)cc1	849636861	HBOVBGOGEBEPDP-OVCLIPMQSA-N	308.337	3.511	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(O)cc1Cl	855136912	JNXOACFNARIHKR-SNVBAGLBSA-N	320.614	3.794	50	20	DHGD	
CC(C)[C@H](C(=O)NC[C@]1(C)C[C@@H]1Br)c1ccccc1	857396343	BERGPGHGZDTXOK-DZKIICNBSA-N	324.262	3.716	50	20	DHGD	
Cc1cccc(Cl)c1C(=O)NC[C@]1(C)C[C@@H]1Br	857688949	RUKGTSOMBDSKEX-GWCFXTLKSA-N	316.626	3.552	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC(=O)C1CCCC1	863061798	ZEYLPXWNAKVCOL-ZDUSSCGKSA-N	315.504	3.576	50	20	DHGD	
CC(=NNC(=O)COc1ccccc1-c1ccccc1)C(C)C	916294762	HFQIIHBFTULKPC-UHFFFAOYSA-N	310.397	3.881	50	20	DHGD	
CC(C)Cc1cc(NC(=O)c2cccc(CCl)c2)n(C)n1	1335741748	NSHQVRDHHAWKDH-UHFFFAOYSA-N	305.809	3.610	50	20	DHGD	
Cc1ccc(NNC(=O)[C@]2(C#N)CC23CCCC3)cc1Cl	1347781443	DFXRWZVMOXHULT-MRXNPFEDSA-N	303.793	3.566	50	20	DHGD	
CCC[C@H](CC(C)C)C(=O)NNc1cccc(C(=O)O)c1C	1605207761	ISCRIJIXEGVPMX-CYBMUJFWSA-N	306.406	3.599	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	12697996	KMCJNAUFSQLKJT-UHFFFAOYSA-N	322.474	3.604	50	20	DHGD	
COC[C@H](C)O[C@H](CBr)c1ccc(Cl)cc1	69735668	ZPPSXIUCFIYFLL-JOYOIKCWSA-N	307.615	3.828	50	20	DHGD	
N#CCc1ccc(NC(=O)NNc2ccccc2Cl)cc1	92224577	FYOUSIIGLKHJRO-UHFFFAOYSA-N	300.749	3.555	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(F)c(F)cc1F	120413223	ZQSHREWWWURBNZ-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
N#CC(C#N)=CNc1ccc(N2CCc3sccc3C2)cc1	125528479	HGMVZWMUWDZPAO-UHFFFAOYSA-N	306.394	3.654	50	20	DHGD	
Cc1[nH]ccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	126184830	ZIDCTMUHTZYFBF-UHFFFAOYSA-N	302.136	3.526	50	20	DHGD	
O=C(NNc1ccccc1)[C@H](Oc1ccccc1)c1ccccc1	151264054	PUIQZAPOPWVKML-LJQANCHMSA-N	318.376	3.950	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1cccc2[nH]ccc12	159053590	VFLSXLJPYRXHRE-UHFFFAOYSA-N	317.352	3.865	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1coc2ccccc12	181147896	KRNYRGWKTMAYNN-UHFFFAOYSA-N	303.321	3.738	50	20	DHGD	
C/C(=C\C(=O)NNc1ccccn1)c1ccc(C(F)(F)F)cc1	181259579	SKAWXLKRPGNOJK-ZHACJKMWSA-N	321.302	3.647	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@H]1c1ccccc1	185759247	LYIOXJBNCFRQML-RBEFULJKSA-N	318.376	3.519	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)cc1	207833767	OFKZHCSLWOCAFD-RULJAHQOSA-N	312.413	3.687	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccc(F)cc2)cc1	255154270	PDZUEAIWZIDVPT-YDRQLGOLSA-N	320.323	3.906	50	20	DHGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	255373942	CHYIVLCBVZDVEW-LFIBNONCSA-N	307.374	3.940	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)o1)C(=O)c1c[nH]c2cc(F)ccc12	255546887	LCZPRRMTUHCURH-YHYXMXQVSA-N	305.268	3.562	50	20	DHGD	
CC(C)(C)Nc1ccccc1NS(=O)(=O)CCCCCl	276532332	HUQGSEDJBMWGJI-UHFFFAOYSA-N	318.870	3.658	50	20	DHGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)[C@@H]1CCCOC1	280959945	KKZYHQAINQDPAA-OYGDSYQHSA-N	315.756	3.989	50	20	DHGD	
Cn1ccnc1[C@@H]1CCCN(CCO[Si](C)(C)C(C)(C)C)C1	367378076	OKWMNUPSZFRXCJ-OAHLLOKOSA-N	323.557	3.621	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2ncsc2c1	588429647	SVXGHYWLOISZSG-GHXNOFRVSA-N	323.352	3.981	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cc(C)on2)c1C	726595108	UTWNZFUEGIVECY-LKBVRNOZSA-N	311.385	3.913	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C(Cc2ccccc2)C2CC2)cc1	729140834	NVDQCMGBDUKYEG-UHFFFAOYSA-N	321.424	3.532	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(C)c(C)c1O	731153619	VMIRJSCZSFINJM-UHFFFAOYSA-N	324.424	3.827	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1C	732714654	BNSPNGQZHLBFNL-VBKFSLOCSA-N	312.413	3.702	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3c(F)cccc3F)CC2)c1	735698149	NUJVHEDFKQOXGM-UHFFFAOYSA-N	316.351	3.757	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2c(F)cccc2F)o1	735701596	YAIOPURPIVMJGY-ZYHUDNBSSA-N	320.339	3.757	50	20	DHGD	
C[C@H](CN1CCCCCC1)C(=O)NN=C1CCC[C@H](C2CC2)C1	737426825	DSGJMBTWMILONR-WBVHZDCISA-N	319.493	3.571	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2cccc(C(F)(F)F)n2)C1	740140017	HCAFACMUZJSJQG-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
C[C@]1(c2ccccc2)C[C@H]1NC(=O)NNc1ccccc1Cl	745858291	ZWGICLTVXSMFOJ-NVXWUHKLSA-N	315.804	3.696	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(C)[C@H](C)c1ccccc1	746369626	YESSFMUEMIVSCV-AWEZNQCLSA-N	310.397	3.534	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cccnc2Cl)cc1Cl	754475809	WYVUZCQBXKQXRN-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)CC(C)(C)C)c(-c2ccccc2)n1	771519169	BJNLZXJOQBXWNW-XNTDXEJSSA-N	307.397	3.999	50	20	DHGD	
COc1ccc(NNC(=O)c2coc3cc(C)c(C)cc23)cc1	771741261	KWYVPWGEUFLZIM-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
C[C@@H]1CC/C(=C\C(=O)NNc2ccccc2OC(F)(F)F)C1	779201343	GEOFTHVZDHYXGV-OYVNLZQHSA-N	314.307	3.775	50	20	DHGD	
C[C@@H](C1CCCCC1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	787587037	RDSNEIFCDJLKNS-VMOJBDSFSA-N	312.413	3.726	50	20	DHGD	
Cc1cccc(NNC(=O)c2c[nH]cc2-c2ccccc2F)c1	787866843	BSCWLOXKSRTMGE-UHFFFAOYSA-N	309.344	3.886	50	20	DHGD	
C[C@H](CBr)CN1CCC(CC(F)(F)F)CC1	792933731	LWIQHIYKRRXKKH-SECBINFHSA-N	302.178	3.682	50	20	DHGD	
Cc1cc(NNC(=O)C(C)(C)C2CC2)ccc1Br	806863873	VAJDKRWXFXQBIS-UHFFFAOYSA-N	311.223	3.637	50	20	DHGD	
O=C(Cc1ccc(-c2ccccc2)cc1)NCC(Cl)Cl	808131264	RTJCANXLCXRQDK-UHFFFAOYSA-N	308.208	3.816	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)C1CCSCC1	815007321	TWDYSKKUNCVTKA-UHFFFAOYSA-N	313.373	3.605	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ncoc1C1CC1	815850556	QVRBTKQUZYSPID-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
O=C(CCCc1ccccc1Cl)NNc1cccc(Cl)n1	817011255	LXJBDBXVSSVMTK-UHFFFAOYSA-N	324.211	3.854	50	20	DHGD	
CCC1(O)CCC(NC(=O)NNc2ccc(C(C)C)cc2)CC1	838536435	ZZBFHPDCHKVDKJ-UHFFFAOYSA-N	319.449	3.520	50	20	DHGD	
C[C@@H]1C[C@H](CNC(=O)CCCC[C@@H]2CCSS2)[C@@H](C)O1	839852729	YJEGTRCUQGOIAF-AAVRWANBSA-N	317.520	3.630	50	20	DHGD	
C[C@H](C(=O)NCCCSC#N)c1ccc(C(F)(F)F)cc1	854359574	PDYVWUFSQYAWBM-JTQLQIEISA-N	316.348	3.529	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C	857653960	LHZVLHSAFCQDFC-PDGQHHTCSA-N	321.424	3.836	50	20	DHGD	
C[C@H]1CN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C[C@@H](C)C1(F)F	859410618	CVQSCFJAUBLLEM-DTZGKALRSA-N	321.327	3.682	50	20	DHGD	
Cc1ccc(C(=O)N(C)CC(Cl)Cl)cc1C(F)(F)F	861734651	ICFCKNUTKOPKOG-UHFFFAOYSA-N	314.134	3.890	50	20	DHGD	
CC(C)CC[C@@H](CO)NC(=O)CCCC[C@H]1CCSS1	862777518	KBIVFLIWEMCXRL-KBPBESRZSA-N	319.536	3.614	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1csc(C(F)(F)F)c1	863180070	YATXGYSZYQALQZ-IZZDOVSWSA-N	316.348	3.980	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)cc1F	901471777	SXCQAUSIRXFJGQ-ZSOIEALJSA-N	303.333	3.525	50	20	DHGD	
CCOc1cc(C=NNC(=O)[C@H](C)CC)ccc1OCC(C)C	915974064	IQPKBIHLKZDDLL-CQSZACIVSA-N	320.433	3.616	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2cccs2)cc1	916285665	YWNOGGZIRYNDSS-UHFFFAOYSA-N	316.426	3.937	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc2c(c1)c1ccccc1n2CC	920989878	YJVYCRKDVHRZCM-UHFFFAOYSA-N	322.412	3.858	50	20	DHGD	
CC(C)[C@@H]1C[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	935302478	KQIGLIZCVULKLN-YOEHRIQHSA-N	318.461	3.878	50	20	DHGD	
Cc1ccc(O)c2c1[C@@H](C)/C(=C\c1cnn(CCCl)c1)C2=O	1318245756	JXXJTJBCURZYEJ-DELQEKLWSA-N	316.788	3.519	50	20	DHGD	
CC(C)CCC[C@H](C)NC(=O)NNc1ccc(C(C)(C)C)nn1	1318580442	CAHCHAUORQQQLH-ZDUSSCGKSA-N	321.469	3.615	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)cc1)[C@@H]1C[C@@H]1C	1325298777	PLHYWOCPXMGPBA-JOYOIKCWSA-N	309.207	3.601	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	1337212452	RCEPHSJCYJCICH-ZDUSSCGKSA-N	304.434	3.632	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@H](C[C@H]2CCOC2)C1	1358100165	ANEACBMHNJQILR-HZPDHXFCSA-N	321.848	3.704	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)NCCc2ccccc2)s1	6958756	FYRDRPJNCIJZHE-NTCAYCPXSA-N	310.422	3.576	50	20	DHGD	
N#C/C(=C\c1ccc(F)c(Br)c1)C(=O)c1ccco1	8200851	OKYBPQFJNFOPBI-UXBLZVDNSA-N	320.117	3.971	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1[N+](=O)[O-]	28699918	YOURQKOXZCMLIF-MDWZMJQESA-N	304.309	3.844	50	20	DHGD	
O=C(Nc1cccnc1)NN(Cc1ccccc1)c1ccccc1	53494460	AIPWBHOMLZOGPX-UHFFFAOYSA-N	318.380	3.825	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(O)c([N+](=O)[O-])c2)c1C	67735325	YYDIJTRJTFSPHL-ZSOIEALJSA-N	322.320	3.707	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cc(F)ccc1Cl	92757595	VYJBUZBVMQMJMO-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(/C=C\c1cccnc1)NN(c1ccccc1)c1ccccc1	96988870	WKETYGBQDWMOGB-YPKPFQOOSA-N	315.376	3.964	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1csc(C2CC2)n1	141382403	FPXAIYBHEVOCBG-FAJIVVBTSA-N	315.442	3.622	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1cc(C)cc(C)c1	158611822	VPJWAZIQKRNMFG-HNNXBMFYSA-N	312.413	3.949	50	20	DHGD	
CCSc1ccc(C(=O)NNc2cc(C)cc(C)c2)cn1	158791839	NOSQZWGQIJINEA-UHFFFAOYSA-N	301.415	3.567	50	20	DHGD	
CCOCc1ccc(NC(=O)NNc2c(F)cccc2F)cc1	161471438	KKJRBEYDOUREEB-UHFFFAOYSA-N	321.327	3.650	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@H]1C[C@@]12CCCc1ccccc12	174636848	CPVLMQILVPIENA-IEBWSBKVSA-N	310.372	3.563	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)NNc2ccc(Cl)c(F)c2)c1	175415623	ZTFJZINRDAHYGS-SNVBAGLBSA-N	322.767	3.735	50	20	DHGD	
COc1cccc(CCC(=O)NNc2ccc(Cl)c(F)c2)c1	175443954	SWWLXYFEICJCGW-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)C(=O)c1ccc(C)cc1	184888202	IQUFQXZVBNVZIJ-RVDMUPIBSA-N	307.349	3.802	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NNc2ccc(F)cc2)s1	187816187	LJZJOTDHZBZITO-UHFFFAOYSA-N	315.373	3.948	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1ccc(C(F)(F)F)cc1	191932370	WACAAHQULOBMFY-UHFFFAOYSA-N	316.323	3.544	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1	194992804	PTZLEFLKTDKOAP-SSZFMOIBSA-N	313.360	3.649	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@H]2c2cc(Cl)cc(Cl)c2)CC1	270936547	LUDNSNHZOQTJLY-LSDHHAIUSA-N	321.207	3.779	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)[C@@H]1CCCC(F)(F)C1	282598963	WEKDYDYSHSZQHX-SECBINFHSA-N	322.277	3.974	50	20	DHGD	
CC(C)C[C@H](C)OC(=O)Oc1ccc([N+](=O)[O-])c(F)c1F	295196484	BHJAVSUKBRCQHB-QMMMGPOBSA-N	303.261	3.823	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1ccc(Cl)nc1)c1ccccc1	490726976	WOIYMGAEAQNYNV-CDCQXCROSA-N	311.772	3.519	50	20	DHGD	
CCCN(N=CCCc1ccc(C)nc1)C(=O)OC(C)(C)C	495743219	CBVZWJIDJUIFDY-UHFFFAOYSA-N	305.422	3.956	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)C(C)(C)c2ccccc2)o1	731151394	YOWIOZHCTMEBGZ-CJNGLKHVSA-N	310.397	3.831	50	20	DHGD	
CSc1ccsc1C(=O)NNc1nccc2sccc12	734247980	BROAADHKCGRCNL-UHFFFAOYSA-N	321.452	3.837	50	20	DHGD	
Cc1ccoc1C=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1	743428066	JROHGNLUFBODGC-AWEZNQCLSA-N	322.364	3.659	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H](c1cccs1)C1CC1	745406844	HWKFLEAJXWAUGB-CYBMUJFWSA-N	322.821	3.574	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2ccc(Cl)c(F)c2)cc1	746741112	GEJCVTZLMPOENN-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
CC(C)CCSCC(=O)NNc1ccc(C(F)(F)F)cc1	747605101	QKSKHNIMVKCFAB-UHFFFAOYSA-N	320.380	3.928	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2ccc(C#N)cc2)cc1	748117182	QOQHTVRWOXMCFV-UHFFFAOYSA-N	307.397	3.587	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H](C)C(C)(C)C	748748886	VFDOFNUCVIDIFE-SNVBAGLBSA-N	313.239	3.883	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2C[C@H]2c2sccc2C)ccc1[N+](=O)[O-]	748834903	UBZDJOIGYMVEGE-OLZOCXBDSA-N	317.366	3.982	50	20	DHGD	
CCCCOc1cc(/C=C(\C#N)c2ccncn2)ccc1OC	758914674	IILDZNVNYPGULJ-XNTDXEJSSA-N	309.369	3.728	50	20	DHGD	
CCc1ccc(CNC(=O)NNc2c(C)cccc2F)s1	771293094	YKOIPZBUOPQARY-UHFFFAOYSA-N	307.394	3.584	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc2ccccc2c1O	771708030	YKKMEIGXJJKTDD-UHFFFAOYSA-N	310.328	3.750	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cccc2cccnc12	777462528	UYONSMBNLWOOQG-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
COc1ccc(C)cc1NC(=O)[C@@H](Br)C(C)(C)C	781067216	SOWUWDHYWDOFFS-GFCCVEGCSA-N	314.223	3.752	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(F)c(C)c2)c1	786055776	JWGYRHLJVMVJHU-LICLKQGHSA-N	308.356	3.666	50	20	DHGD	
CSSCCNC(=O)C(F)(F)c1cccc(Cl)c1	791150656	RHQMGQYQZQPLOB-UHFFFAOYSA-N	311.806	3.559	50	20	DHGD	
CC[C@@H](C)CC(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802088398	NPOIVOMJTZFJAS-MRVPVSSYSA-N	318.204	3.582	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@@H](C)c1ccc(F)c2ccccc12	806554029	IAOWIPIQKBPUNM-KLDSGFLGSA-N	312.344	3.600	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(Cl)cc(Cl)c1	808246583	FXMJWIZGRBIWBD-UHFFFAOYSA-N	301.000	3.869	50	20	DHGD	
C[C@@H](CNCc1ccc(OCCCCl)cc1)CN1CCCC1	811473992	BCAOPUIZDYNKRE-INIZCTEOSA-N	324.896	3.516	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1)c1cc(C(F)(F)F)ccn1	812247051	YNPZGVNRKPHGTQ-GHXNOFRVSA-N	318.254	3.863	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCCc1ccccn1	812765361	FQXYQUQTTRCJHD-UHFFFAOYSA-N	311.429	3.979	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cnn(CC(F)F)c2)c1	814182707	KRUSQRNHMIUGBB-GIDUJCDVSA-N	315.323	3.555	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)NNc2cccc(Cl)n2)c1	814670461	UCCGFCMAGJWTMB-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
O=C(Cc1ccncc1)NN=C1CCCC[C@H]1C1=CCCCC1	814864116	PMPIRDJVFRRCSW-KRWDZBQOSA-N	311.429	3.787	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc(C(=O)O)c2)s1	833450353	QCMPOYCREDEQII-UHFFFAOYSA-N	318.398	3.501	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCCCN2CCCC2)cc1	837057396	YGKYNQPVHXHJRX-UHFFFAOYSA-N	303.450	3.519	50	20	DHGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)sc2cccc(F)c12	862304420	BHUMEXRLZPVAAU-SSDOTTSWSA-N	320.311	3.534	50	20	DHGD	
CC[C@H](C)N(C)C(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	914527584	IVSNLPZJTZLSED-KPYNCUPYSA-N	315.461	3.925	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	917516156	LKKJAYCZOFVPKK-FOWTUZBSSA-N	312.413	3.831	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cnn(C3CCC3)c2)cc1	935303123	PHDGZSHEWACBNJ-UHFFFAOYSA-N	312.417	3.663	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC)cc1)c1ccc(Cl)cc1	1115812897	FCHVYLOXHYGTLD-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)CC(C1CC1)C1CC1	1117759580	UADPMGUHZIXRRG-UHFFFAOYSA-N	322.840	3.523	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)ccc1F	1319574035	VDUJQIWDSMSZLR-XYOKQWHBSA-N	314.291	3.519	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccn(C2CCCCC2)n1	1320984879	RQFTZYKKKSPINV-UHFFFAOYSA-N	317.368	3.676	50	20	DHGD	
Cc1ccc(NC(=O)C2CCC(Cl)CC2)c(CN(C)C)c1	1519456181	PZUHMFBOAJERKA-UHFFFAOYSA-N	308.853	3.793	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1c(-c2ccccc2)nc2sccn12	7900752	CZNIOKDXLSYDQD-JLHYYAGUSA-N	323.377	3.533	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)OC2CCCCC2)ccc1O	14178755	XIEAOVWXWFTBAQ-GXDHUFHOSA-N	315.369	3.574	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2c(C)nn(C)c2Cl)c1	60421995	KLRTXABJVREZFZ-ZSOIEALJSA-N	313.788	3.789	50	20	DHGD	
Cc1ccc(-c2nc(NC=C(C#N)C#N)sc2CN(C)C)cc1	78608576	RSDXGZFIMRYWDA-UHFFFAOYSA-N	323.425	3.523	50	20	DHGD	
IC1CCC(NCc2ccccc2)CC1	79436751	CHFXXOADFMKKLA-UHFFFAOYSA-N	315.198	3.522	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccccc1OCC1CC1	120358629	QKSKPYPZKZWMHI-UHFFFAOYSA-N	316.788	3.886	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@@H]2C)s1	123354821	DXEWXEPPRLECHZ-KDUJCLPVSA-N	317.458	3.868	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1O	124820072	VXJDOXYBCASJCN-SXGWCWSVSA-N	307.349	3.808	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(OC(F)(F)F)cc2)o1	134265441	WITSQGSCHLFAAQ-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCCOc1cccc(F)c1	160815904	GUTDECCRSNCJFV-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CC(C)=CCSc1ccccc1C(=O)NNc1ccncc1	180447795	FXWPVFHZKVELFQ-UHFFFAOYSA-N	313.426	3.897	50	20	DHGD	
COCc1ccccc1C(=O)NNc1ccc(C(C)(C)C)cc1	181122395	OVSULNBKWIOEQC-UHFFFAOYSA-N	312.413	3.887	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@]2(Cc3ccccc3)C[C@H]3CC[C@H]2C3)CC1	270879518	ACKGJCRMDFJSJF-ZJOUEHCJSA-N	320.436	3.718	50	20	DHGD	
COc1ccccc1[C@@H]1CCN(C[C@@H](C)CBr)C1	274438291	AXGQJMJBVFHHDL-QWHCGFSZSA-N	312.251	3.516	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1sc(C)cc1OC	281772677	MJFPLYAMJZTCMP-UHFFFAOYSA-N	304.415	3.693	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2ncc(C(C)(C)C)o2)c1	282458272	MMAZUNICTIFBEQ-UHFFFAOYSA-N	315.417	3.665	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(COCCOC)cc1	288812515	BQIFSFCQKFOQEO-ATVHPVEESA-N	315.413	3.762	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(c2)CCCCC3=O)c1	289901865	SLJUQQRGPZUZPJ-UHFFFAOYSA-N	322.408	3.969	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2F)cc1C	490588175	RWLJFPFBODPNRO-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)c1cccc2ncccc12	730146537	ACCKIBIEUJJBEB-UHFFFAOYSA-N	309.394	3.645	50	20	DHGD	
CSc1ccsc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	730451913	DWSLKUZHVHRWTD-UHFFFAOYSA-N	309.368	3.906	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NC[C@@H]2CCc3ccccc32)c(C)c1	732469049	WHXNXSDSNFNSEL-KRWDZBQOSA-N	323.440	3.968	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(C(F)F)cc1	734552291	RBZCHVYJPQEMEE-UHFFFAOYSA-N	316.229	3.798	50	20	DHGD	
CCN(CC)c1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1F	739427219	RIHUTPHZXUDYRO-NTEUORMPSA-N	304.365	3.530	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1cc(F)c(F)c(F)c1	746704121	ULHKOKKBVUKQNJ-VHSXEESVSA-N	300.324	3.763	50	20	DHGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)c1ccccc1	748132684	YOJDMKHLCCYCOM-UHFFFAOYSA-N	310.422	3.879	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Br)cc1F)C(C)(C)C	748202234	VLRBQVFSPZOINZ-MRVPVSSYSA-N	317.202	3.714	50	20	DHGD	
COc1ccccc1C(=O)NN=C[C@@H](C)CCc1ccccc1	749164910	QUJWRDPOSVTSHH-HNNXBMFYSA-N	310.397	3.680	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NOCC(C)C)c1C	750234344	XUVMFACWHYJVLA-YVLHZVERSA-N	317.433	3.516	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OC/C=C/c1ccccc1	750666641	QCQCNKXJOKHCMY-UCWDFHMRSA-N	305.333	3.556	50	20	DHGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1c(Cl)cccc1Cl	751525068	CQEOQPIHSJWWLM-SNVBAGLBSA-N	315.200	3.526	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2cc(Cl)ccc2Cl)s1	752809437	BVZRDSMVHBIBMQ-UHFFFAOYSA-N	312.181	3.683	50	20	DHGD	
O=C(NN=Cc1ccc(Oc2cccc(F)c2)cc1)c1ccc[nH]1	766429825	FTZDXMNFGYSGIW-UHFFFAOYSA-N	323.327	3.710	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCc2cccc(F)c21	768295079	RVNUCADHZVXLEV-LBPRGKRZSA-N	314.198	3.524	50	20	DHGD	
CCC(CC)CC(=O)NNc1ccc(Br)c(F)c1	771690312	DYVKLOSRLNNQPX-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2c(C)cccc2F)cc1	771692512	DARYLPZLZRYJJN-UHFFFAOYSA-N	318.417	3.932	50	20	DHGD	
Cc1ccc(C)c(OCCC(=O)NNc2c(C)cccc2F)c1	771692724	JRBNPUVFGPXHOT-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C1CC2(CCC2)C1	773105759	WOVGGAIWFXPKTH-LLVKDONJSA-N	306.793	3.544	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	775404635	ZOJPPCGKLMRBEO-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1ccc(OC(F)(F)F)cc1	775884163	JOHMLKLPSOVPHZ-OCCSQVGLSA-N	316.323	3.711	50	20	DHGD	
Nc1ccc(C(=O)NN=C2CC=C(c3ccc(F)cc3)CC2)cc1	776758150	HOOBFUQFFWFQFS-UHFFFAOYSA-N	323.371	3.761	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc21)NNc1ccc2ccccc2n1	777462309	MMLOXKQOSHJGQA-MRXNPFEDSA-N	317.392	3.798	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)c1coc(C)c1	781017439	YAWKXLOIZZACCS-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C[C@H]1CCCC[C@@H]1C	783813227	JZWWNYAQHSDELF-MELADBBJSA-N	306.381	3.521	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(Cl)cc2)c1	786049012	CWBQRIDHDBKXGP-MHWRWJLKSA-N	310.784	3.872	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)Nc1ccc(C2CC2)cc1	787495183	ULRDCGJSPDSKQK-LFIBNONCSA-N	304.349	3.815	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791715217	PPHCYLUXRWKBRQ-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2ccnn2C(C)C)c1C	794869861	OGDGAACZCSESGY-GDNBJRDFSA-N	308.385	3.627	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc(C2CCC2)c1	798823532	PHSLDNIHZICWOT-UHFFFAOYSA-N	311.341	3.619	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1csc(CC(C)C)n1	799758275	FKLUQWVQYJLOEN-UHFFFAOYSA-N	317.458	3.969	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc2c(c1)CCC=C2	802826716	LMPHTWHEWDWHBJ-UHFFFAOYSA-N	300.308	3.681	50	20	DHGD	
CCc1ccc2occ(C(=O)NNc3nc4ccccc4[nH]3)c2c1	807173318	AAUMXIMBOFACEO-UHFFFAOYSA-N	320.352	3.628	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)Nc2ccc(OC)cc2)s1	814998716	VFVVCPPMFLFPNH-UHFFFAOYSA-N	317.414	3.865	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2cccc(Cl)n2)cc1	817004419	AZRBKIZKOWSADH-UHFFFAOYSA-N	317.820	3.763	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(Cl)n2)oc2ccccc12	817011976	RODYBVLGGVXOIN-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(F)c2SC)cc1	817904506	IYVXCJSJCBYUTG-UHFFFAOYSA-N	320.389	3.703	50	20	DHGD	
CCOc1ccc(NNC(=O)C2(c3ccc(C)cc3)CCC2)cc1	819542428	IDDRZZOJLRLWIU-UHFFFAOYSA-N	324.424	3.959	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)C2(C#N)CCC2)C1	826684396	NXMLQFGMAZRBAN-CQSZACIVSA-N	322.525	3.693	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1nc2c(C)cccc2s1	828362773	PXBFAMHHRFFVIY-SNVBAGLBSA-N	309.460	3.580	50	20	DHGD	
CN(C)Cc1cnc(/C=C(/C#N)c2nc(C3CC3)cs2)s1	843273115	PNOHNZVXIVVZRO-WZUFQYTHSA-N	316.455	3.603	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCCCC[C@@H]2C)cc1OC	844572568	OWXQLJPAIWHGSZ-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2ccc(Br)cc2)CC1	845855166	IRIUORVAEDHLKY-XYPYZODXSA-N	311.223	3.719	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849179716	VYECTICYESGCJT-OBHPCNEJSA-N	313.397	3.767	50	20	DHGD	
C[C@@H](c1csnn1)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852524249	PLASATHWJINAOC-RYUDHWBXSA-N	313.543	3.695	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	853307428	PBBZETRWVLZGEW-HNNXBMFYSA-N	322.412	3.724	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ncccc2C#N)C1	853897709	PSKJSIKBCSJHHX-CQSZACIVSA-N	303.482	3.554	50	20	DHGD	
COCCC1(CNC[C@]2(C)C[C@H]2Br)CCCCC1	856810501	YLEHQRGAOSFELA-KGLIPLIRSA-N	318.299	3.737	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)NC[C@]1(C)C[C@H]1Br	857062461	AKPCAFNTJOFMJX-HONMWMINSA-N	300.215	3.520	50	20	DHGD	
CC(C)[C@H](C(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccccc1	857396345	BERGPGHGZDTXOK-OFQRWUPVSA-N	324.262	3.716	50	20	DHGD	
C[C@@H](CC(=O)OC[C@H](CBr)C1CC1)c1ccco1	859814299	FJTSAOQVDCSKEU-JQWIXIFHSA-N	315.207	3.738	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cc(Cl)ccc1F)c1cccnc1	871271319	LKAKDMKZTUMOAJ-OAHLLOKOSA-N	321.783	3.757	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nc1	912579335	WEGYMZYMAWJLKS-CQSZACIVSA-N	320.509	3.626	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1	912585336	RWJTXPFBKCKUNZ-CQSZACIVSA-N	322.525	3.693	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cnc(C(C)(C)C)s2)cc1	920368722	POVIQOBHVGXFDQ-UHFFFAOYSA-N	315.442	3.767	50	20	DHGD	
O=C(NCc1ccco1)NN=Cc1ccc(-c2ccccc2)cc1	920826276	UMPDFESDYXELSA-UHFFFAOYSA-N	319.364	3.780	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(Cl)cc2C)c1C	928336328	KHUIOGUNWMYZMD-UHFFFAOYSA-N	305.809	3.844	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1nnc(C(C)(C)C)s1	928337870	WBQXGFRWLALZKD-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1nc(C2CC2)cs1	1348141386	WJQHSQGGNVZASH-UHFFFAOYSA-N	313.426	3.656	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNc1cccc(F)c1C(=O)O	1595698307	QZJSQTBSZHKNCW-LBPRGKRZSA-N	324.396	3.964	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cccc(F)c1C(=O)O	1609817382	GDQJOFLLHANEPK-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
C[C@@H](NC(=O)c1ccc(S(F)(F)(F)(F)F)cc1)C(=O)O	1610389901	SYHKPZOMRIEZJA-ZCFIWIBFSA-N	319.251	3.547	50	20	DHGD	
O=C(CCC1CCCC1)NNC(=O)Cc1cccc2ccccc12	9894012	XNAYDQZHLLQTGK-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(C)c1C(=O)/C(C#N)=C/c1ccccc1	23739350	YAOAYSCBRQEZDO-XNTDXEJSSA-N	322.364	3.598	50	20	DHGD	
CSCc1ccc(NC(=O)NNc2ncccc2Cl)cc1	92603296	MGLKOSBLQQWDOF-UHFFFAOYSA-N	322.821	3.747	50	20	DHGD	
CC(C)COc1ccc(CC(=O)NNc2ccc(F)cc2)cc1	106736534	JSMAYDWGVBNTJW-UHFFFAOYSA-N	316.376	3.546	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)cc1F)c1cccc(F)c1	116446895	KMSBEYNGOKHEHX-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
C[C@@H](CCC(=O)NNc1cccnc1Cl)c1ccccc1	124073044	JRBDXSWYKRNMAD-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
Cc1cccn2c(/C=C(/C#N)c3nc4ccccc4n3C)cnc12	125264426	DKTVKMWEQYICIN-UVTDQMKNSA-N	313.364	3.594	50	20	DHGD	
COc1ccc(SCC(=O)NNc2cc(C)ccc2C)cc1	127478690	YSISAHSUNNFCSU-UHFFFAOYSA-N	316.426	3.547	50	20	DHGD	
CC[C@@H](CC(=O)NNC(=O)CC1CCCC1)c1ccc(C)cc1	130744585	LAGZCBSALYGMSN-INIZCTEOSA-N	316.445	3.606	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2cccc(F)c2)c1	154473068	ZMACYPIPNSSHDK-UHFFFAOYSA-N	304.390	3.511	50	20	DHGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1cccc(F)c1	154796296	FNUPTFFRAWWEDZ-CMDGGOBGSA-N	313.357	3.592	50	20	DHGD	
N#C/C(=C/c1cccc(C(=O)O)c1)C(=O)c1c[nH]c2ccccc12	158296426	YCBVSJRERYEXLO-ZROIWOOFSA-N	316.316	3.656	50	20	DHGD	
C[C@H]1CSCCN1C(=O)CCCC[C@H]1CCSS1	172453485	DVJBBTCGKXQIES-RYUDHWBXSA-N	305.534	3.664	50	20	DHGD	
O=C(CCCc1ccccc1)NNC(=O)C1CCCCCCC1	172829006	VNXATGHCOPJOCU-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
Cc1cc(Cl)cc(C(=O)NNc2cccc3cnccc23)c1	178501097	RTKDMRAQRQOTPU-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
COc1cc(C=O)ccc1OCCO[Si](C)(C)C(C)(C)C	216631885	PLOUOMSFVXHXOC-UHFFFAOYSA-N	310.466	3.908	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccnn2C(C)C)cc1	490700298	UWQLHIZIHAMIKX-RVDMUPIBSA-N	308.385	3.572	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2scnc2C2CC2)cc1	491011629	PJYUGTRYOINHED-OVCLIPMQSA-N	323.421	3.552	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C/c1cncc(F)c1	493411293	BDTNGRNEPMJZSZ-BQYQJAHWSA-N	313.376	3.809	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(C)cc2)o1	588555720	UWRQCFADSMLHON-WJDWOHSUSA-N	315.394	3.944	50	20	DHGD	
O=C(O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	690188129	PZZHNKTYDJEIGP-UHFFFAOYSA-N	320.239	3.550	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC[C@@H]2CCC(C)C)cs1	727253596	JFXCXFYCHONTRJ-CYBMUJFWSA-N	307.463	3.703	50	20	DHGD	
COc1ccc(NNC(=O)CCc2ccc(C(C)C)cc2)cc1	729272373	QSQHUPIYYOLHGL-UHFFFAOYSA-N	312.413	3.895	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2(C)CCCC2)cc1	731200125	AWKMARUBFCFWKS-VBKFSLOCSA-N	312.413	3.689	50	20	DHGD	
CCn1c(C)cc(/C=C(/C#N)C(=O)NCc2ccc(C)cc2)c1C	734482863	FTFAVCGMUOAOHE-ODLFYWEKSA-N	321.424	3.657	50	20	DHGD	
CCc1ccc(COC(=O)/C(C#N)=C/c2cccc(OC)c2)cc1	735339262	OSVTVQRIWNBUFF-WOJGMQOQSA-N	321.376	3.908	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CCC[C@@H](C3CC3)C2)c(C)c1	737423096	OEJVHIVRCQHMEG-MRXNPFEDSA-N	313.445	3.788	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccccc2F)c2ccsc2S1	743423517	RWZGWFMELBAZSW-VIFPVBQESA-N	320.414	3.906	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NNc2c(C)cc(C)cc2C)c1	743762061	UWLXEOJFKIFXSD-MRXNPFEDSA-N	312.413	3.831	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NNc1ccc(Cl)c(F)c1	746700836	PLLIRUTYQWWEMV-UHFFFAOYSA-N	317.751	3.577	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccccc2F)C1(CC)CC	748245081	VJJFZJNDNFJAPJ-HNNXBMFYSA-N	306.381	3.527	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)C(C)(C)c1ccc(F)cc1	752173358	ZDVGYCUUVJOQGT-UHFFFAOYSA-N	302.349	3.811	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2cc(Cl)ccc2Cl)cc1	752812549	GSWYYDGHMDDBRY-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
COc1ccc(C=NNC(=O)Cc2cccc3ccccc23)s1	763162455	BZLCAEKQTXBQIU-UHFFFAOYSA-N	324.405	3.603	50	20	DHGD	
N#CCCCn1cc(C(=O)NNc2ccccc2)c2ccccc21	768088296	OKGJJVHWFAUAEA-UHFFFAOYSA-N	318.380	3.702	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1OCC(=O)NNc1cc(C)ccc1F	768308311	XAGZIGSZEHNIGB-CJNGLKHVSA-N	308.397	3.563	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1c(F)cccc1Cl	770196699	DSJBXQSZJZDPNX-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cc(Cl)c(Cl)[nH]1	770337158	PMYGSJJGKUSESS-RXMQYKEDSA-N	314.994	3.509	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@H]1CCCc2sccc21	770404115	OURVQHCIOVOTSY-KOLCDFICSA-N	317.248	3.742	50	20	DHGD	
C=C[C@@H](CC(=O)OC[C@@H](C)CBr)c1ccccc1	770413601	VEFPBKUVLOZUCT-STQMWFEESA-N	311.219	3.921	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1cscc1Cl	771883925	DRLTXSXSANKQBA-UHFFFAOYSA-N	317.801	3.576	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2coc(-c3ccccc3)n2)ncn1	773173644	STEYMKJQXBEWLG-NTUHNPAUSA-N	320.377	3.918	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)Nc1ccc(F)c(Cl)c1	775373028	CNMKMNWXTFTHDL-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CCc1ccc(NC(=O)NNc2cc(F)c(F)c(F)c2)cc1	775394794	QAJDZDZYKNBQLP-UHFFFAOYSA-N	309.291	3.815	50	20	DHGD	
CC(C)(C)C(=O)NN=CCCOc1ccc(Cl)c(Cl)c1	777431565	SUCUAYGWHGQOJY-UHFFFAOYSA-N	317.216	3.910	50	20	DHGD	
Cc1cc(C)c(/C=C/C(=O)NNc2cc(Cl)ccn2)cc1C	778453811	SBKGNHCXMZMYLL-SNAWJCMRSA-N	315.804	3.817	50	20	DHGD	
Cc1ncsc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	780831278	KMVMGDMIZGHDSC-UHFFFAOYSA-N	318.446	3.575	50	20	DHGD	
O=C(NN=c1cc[nH]cc1)Nc1ccc2oc3ccccc3c2c1	782006797	PMQYEXMLKYUCMU-UHFFFAOYSA-N	318.336	3.552	50	20	DHGD	
O=C1CC[C@@H](C(=O)NNc2ccccc2Cl)c2ccccc21	786426832	JZMKQAHMZGNGIZ-CYBMUJFWSA-N	314.772	3.543	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCCOc1ccc2ccccc2c1	786680208	WDALWVGFXUHTAO-GZTJUZNOSA-N	307.349	3.622	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccc(F)cc2)ccc1Cl	788541623	XPEJYMMGXOXNFY-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
COC1(C=NNC(=O)c2c(Cl)cccc2Cl)CCCC1	790162892	YLZLJUWKJYURRI-UHFFFAOYSA-N	315.200	3.668	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1cccc([N+](=O)[O-])c1C	793710270	KHOVPAARKDIAOG-CHWSQXEVSA-N	305.378	3.563	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(C)c(Cl)c1	795490931	JOZOLWPTVBEWQT-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
CO[C@@](C)(CNCc1ccc(OCCCCl)cc1)C1CC1	812772903	RVYDYNPPMCOEKN-KRWDZBQOSA-N	311.853	3.599	50	20	DHGD	
Cc1cc(CCNC(=O)NNc2ccccc2)ccc1Cl	813178546	RKWTWLUKELULJK-UHFFFAOYSA-N	303.793	3.517	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2ccc(Cl)cc2F)cc1	814998404	IGVWKNHKTWJLFX-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3cccc(Cl)n3)oc12	817008733	FRRLERKLZWGIQZ-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CCCCCN(CCCCC)C(=O)/C(C#N)=C\c1cnn(C)c1	822555413	FJRRXWIPUNWGBQ-ATVHPVEESA-N	316.449	3.536	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(F)c(F)c1F	825699807	IYMSUHWUPAODHO-ZCFIWIBFSA-N	314.229	3.526	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc2c([nH]1)CCCC2	827180545	IYRRDFFTRPNZGE-UHFFFAOYSA-N	309.413	3.529	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1	830301948	FBJCPOBLXJGJEZ-IAGOWNOFSA-N	309.413	3.807	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC(OC3CCCC3)CC2)o1	834963127	BBTJVANVOFGEBX-UHFFFAOYSA-N	304.390	3.576	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCC(=O)c2cccs2)cc1	837058813	VMQLLSKMPLUXBL-UHFFFAOYSA-N	316.426	3.978	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)c2c(C)noc2C)c(Cl)c1	838471021	HAKMEPSFHHOWHV-SECBINFHSA-N	322.796	3.641	50	20	DHGD	
N#Cc1ccc(NNC(=O)/C=C/C2CCCC2)cc1C(F)(F)F	843833409	PPTINWVYAAHEEQ-VMPITWQZSA-N	323.318	3.767	50	20	DHGD	
CCc1c(C(=O)N(C)CC(Cl)Cl)oc2ccccc12	848084220	YDLIPNILAKRIRR-UHFFFAOYSA-N	300.185	3.871	50	20	DHGD	
N#C/C(=C\c1cc2ccncc2s1)c1nnc2n1CCCCC2	849177694	PZWLJAHEEXKDSH-UKTHLTGXSA-N	321.409	3.678	50	20	DHGD	
C[C@@H](CCNC(=O)NNc1ccc(Cl)cn1)c1ccccc1	852033880	GZCYSQMWUOAERZ-LBPRGKRZSA-N	318.808	3.555	50	20	DHGD	
Cc1cccc2[nH]c(CNC[C@]3(C)C[C@@H]3Br)cc12	856809834	QVFOLFYHEUTXCI-GJZGRUSLSA-N	307.235	3.739	50	20	DHGD	
C[C@H](NNC(=O)c1cc2cc(Cl)ccc2s1)C(F)(F)F	862323019	RKKUFPYVDHSLLG-LURJTMIESA-N	322.739	3.740	50	20	DHGD	
N#C/C(=C\c1csc(C(F)(F)F)c1)C(=O)C1CCOCC1	863189566	BRPFAIIWYSMSSN-VZUCSPMQSA-N	315.316	3.670	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)N2CCCC2)cc1	865220845	ROSJISWSYDUGQK-LUJRCDHRSA-N	324.424	3.835	50	20	DHGD	
C[C@H](CO)NN=Cc1cccc(S(F)(F)(F)(F)F)c1	905448588	HMMUWJOWXXFKPX-MRVPVSSYSA-N	304.284	3.648	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)c(O)c1	917556541	ZNXUBODXUATVML-KBPBESRZSA-N	300.402	3.777	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=C/C=C\c1ccco1	920375618	XBCMEJSMJKIZMA-MIULGLIOSA-N	304.349	3.791	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccncc3)s2)cc1	920478759	KZVYZYUUJZXKKL-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1cc(Cl)ccc1O	1318442838	WRNLIBMGCBPSCW-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCc2ccc([N+](=O)[O-])cc2C1	1319995054	LZGXWLOVOGLDHV-WSVATBPTSA-N	323.327	3.657	50	20	DHGD	
CC1(C)CC2(CO1)CC(NC(=O)c1cccc(CCl)c1)C2	1336140889	HODSIQPLZVBKEI-UHFFFAOYSA-N	307.821	3.503	50	20	DHGD	
COc1ccccc1C[C@H](C)N(C)C(=O)C1CCC(Cl)CC1	1351443310	AVUZHLPUKABXLL-HLIUYOAVSA-N	323.864	3.882	50	20	DHGD	
O=C(Nc1cccc(N2CCCC2=O)c1)C1CCC(Cl)CC1	1518790470	WTALATLYKLTWED-UHFFFAOYSA-N	320.820	3.550	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609737498	ZVIQGBJBFSNOEW-JTQLQIEISA-N	324.808	3.698	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cc3ccccc3o2)ccc1O	48417548	WNKWNVACUVXYKD-RIYZIHGNSA-N	319.316	3.937	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)N(C)c2ccccc2)c1	112224473	NXSCHQJCKBZNKI-VBKFSLOCSA-N	306.365	3.655	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2F)nc2ccccc12	113430099	NVDIAWBVOPAPRI-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2O)cc1	122560320	SBOSMTFBELPPBP-PTNGSMBKSA-N	322.364	3.645	50	20	DHGD	
COc1ccccc1CN(C[C@@H](C)CBr)C1CC1	133645015	HIEHQVXDDWCWEW-LBPRGKRZSA-N	312.251	3.691	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1nc2ccccc2s1	153271027	HWMDFUCSNOAAFD-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1sccc1OC(F)F	158195654	DAISSYYWMYDHKQ-UHFFFAOYSA-N	318.732	3.760	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(Cl)c(Br)c1	183386449	FYZSDTIGDPLEGR-UITAMQMPSA-N	314.566	3.573	50	20	DHGD	
O=C(/C=C/c1ccc[nH]1)NN(Cc1ccccc1)c1ccccc1	189629173	JKMRKONMFHXEAA-BUHFOSPRSA-N	317.392	3.766	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	191753548	XLPJICZKFPORBQ-YRNVUSSQSA-N	324.452	3.561	50	20	DHGD	
N#C/C(=C\c1sccc1Cl)C(=O)c1ccc2c(c1)OCO2	195228162	JYQGCBCPVWMCDA-UXBLZVDNSA-N	317.753	3.920	50	20	DHGD	
CC[C@@H](C)N(Cc1ccccc1)S(=O)(=O)CCCCCl	228325123	WTAZODPPDHJMLZ-CQSZACIVSA-N	317.882	3.636	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2c1)c1cccc([N+](=O)[O-])c1	252461930	OHVYRDPFLMGQGH-UHFFFAOYSA-N	319.320	3.512	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	280101038	UPGLBVNJPCNQEA-GXDHUFHOSA-N	323.396	3.998	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1c(F)cccc1Cl	281495807	WITVRYBQPWDINF-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC2(CCCC2)C1	368367599	SMRYABDXWAVVPG-LLVKDONJSA-N	302.256	3.589	50	20	DHGD	
Cc1c(Cl)cccc1NC(=O)/C(C#N)=C/c1ccc(F)nc1	588523763	UROGLJLIGUBUNG-KPKJPENVSA-N	315.735	3.728	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(O)c(Cl)c1	727684737	LPIZGOJXHNYUDX-UHFFFAOYSA-N	316.788	3.519	50	20	DHGD	
Cc1ccc(C[C@@H](C)NC(=O)NNc2ccc(F)cc2)c(C)c1	731285683	KJWYZPQAAGOTJJ-CQSZACIVSA-N	315.392	3.700	50	20	DHGD	
O=C(NN=C(c1ccccc1)c1ccccc1)C1CCSCC1	732932060	MXQZTGQLZDDEIN-UHFFFAOYSA-N	324.449	3.698	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)c2ccc(N)cc2)C(C)C)cc1	741451726	NKTPWYPNBSPKRO-UHFFFAOYSA-N	309.413	3.562	50	20	DHGD	
O=C(NN=C1CCc2ccccc2C1)c1cccc2cccnc12	747356477	RDOGMPWFEBEQIZ-UHFFFAOYSA-N	315.376	3.510	50	20	DHGD	
CCCN(CC(C)(C)O)C(=O)CCCC[C@@H]1CCSS1	747414935	LGZIJXMTKZXPNV-CYBMUJFWSA-N	319.536	3.710	50	20	DHGD	
CCS[C@H]1CCC[C@@H](NC(=O)NNc2ccc(F)cc2)C1	748967952	LNOCYFFRSOUMMZ-KGLIPLIRSA-N	311.426	3.516	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OC)c(O[C@H](C)CC)c1	749451912	LKBBQVHBRKXCGJ-QQFZQELXSA-N	315.369	3.509	50	20	DHGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1cccc(Cl)c1	760336755	HSUUXDMMAHYAMM-LBPRGKRZSA-N	310.825	3.911	50	20	DHGD	
CN(CCOC(C)(C)C)C(=O)CCCC[C@@H]1CCSS1	768350453	DAZHVZOVUBWSOI-CYBMUJFWSA-N	319.536	3.974	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)OC[C@H](C)CBr	770363209	SWTNBETWFGLVME-LLVKDONJSA-N	313.235	3.847	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1cc2ccccc2s1	772833782	MGSULVOKNAXLLN-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1ccc(OC)cc1[N+](=O)[O-]	775781125	YGIOUSQUSFKJSR-GFCCVEGCSA-N	323.393	3.653	50	20	DHGD	
COc1cc(NNC(=O)[C@H](C)c2cccc(F)c2)ccc1Cl	790186755	ICPYGRQJCURVHH-SNVBAGLBSA-N	322.767	3.735	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1Cc1ccccc1C	790881113	URLFWRUFSRSUQZ-HNNXBMFYSA-N	324.515	3.723	50	20	DHGD	
CC(C)(C(=O)NNc1c(Cl)cc(F)cc1Cl)C(F)F	791687153	ZBGCXNJJMRDBFC-UHFFFAOYSA-N	315.122	3.867	50	20	DHGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)c1ccc2ncccc2c1	794886115	ZTJATWSAOGUIDJ-OVCLIPMQSA-N	303.296	3.559	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc2ccccc2c1	795341778	MGRNGXYTWNIDDG-UHFFFAOYSA-N	305.171	3.948	50	20	DHGD	
CCC(C=NNC(=O)CSc1nc(C)cc(C)n1)(CC)CC	814708682	KMZOLEBLITZQMW-UHFFFAOYSA-N	322.478	3.504	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ncsc2C(C)C)cc1F	823430314	IYNQNKPMMZXBQN-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
C=CC(C)(C)C(=O)NNc1ccc(Br)cc1Cl	825731233	CHZRSDLXNLZOAO-UHFFFAOYSA-N	317.614	3.758	50	20	DHGD	
Cc1cc(Br)c(C=NNC(=O)C(C)C)cc1Cl	834928771	YMVDRGCEULMXIT-UHFFFAOYSA-N	317.614	3.517	50	20	DHGD	
CO[C@H]1CCC[C@@H](C(=O)NNc2cccc(Cl)c2Cl)C1	838344377	FSBWASLBRSNGNL-ZJUUUORDSA-N	317.216	3.642	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccc3c(c2)CNC3)cc1	841330599	RNFCATFEHNVXEE-UHFFFAOYSA-N	324.428	3.736	50	20	DHGD	
CC[C@H](COC(=O)/C(C#N)=C/c1ccc(OC)cc1)CC(F)F	845769509	PUDUWPBOMPEMBO-ACLQVGRQSA-N	323.339	3.827	50	20	DHGD	
CN(C(=O)NC[C@]1(C)C[C@@H]1Br)C1CCCCCC1	856951091	PAXFGMITMRKBSF-JSGCOSHPSA-N	317.271	3.524	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCNc3ccccc32)C[C@@H]1Br	857062953	GTGFYBNTEYPRMF-QLFBSQMISA-N	309.251	3.697	50	20	DHGD	
CC1(C(=O)NC[C@]2(C)C[C@H]2Br)CCCCCC1	857396013	WYUNXJYSAASZJC-RISCZKNCSA-N	302.256	3.637	50	20	DHGD	
CC[C@](C)(NC[C@@H](CBr)C1CC1)c1nccs1	859194462	GSHALJCJNZISQI-YPMHNXCESA-N	317.296	3.779	50	20	DHGD	
Cc1cnc([C@@H](C)NC[C@@H](CBr)C2CC2)s1	859249668	ITWMXWNKXHQBIE-MWLCHTKSSA-N	303.269	3.523	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCCC(F)(F)CC1	859537260	XBJKQKJXQAZRDJ-NSIKDUERSA-N	307.300	3.580	50	20	DHGD	
O=C(CCC1CC1)NNc1ccc(OCc2ccccc2)cc1	862519045	PUCORNZMGNUGTN-UHFFFAOYSA-N	310.397	3.899	50	20	DHGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)CC(C)C)cc1OC	864366126	KWOKNGGNKBFMFQ-SDQBBNPISA-N	307.777	3.879	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccc(F)c(F)c1	885113384	YRILPFUPPKSEDC-GHMZBOCLSA-N	308.353	3.582	50	20	DHGD	
COc1ccc(CN(C)/C(=C\C#N)c2cccc([N+](=O)[O-])c2)cc1	916144992	DZGUOFJZJWRBDU-ZDLGFXPLSA-N	323.352	3.600	50	20	DHGD	
Cc1cc(OC(=O)COc2cccc(Cl)c2)ccc1[N+](=O)[O-]	917368333	OENCGAMLJCSCFH-UHFFFAOYSA-N	321.716	3.541	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)CCc2ccccc2)cc1	920377969	RQHCMAFWDONWTO-UHFFFAOYSA-N	324.424	3.753	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](F)Cc2ccccc2)cc1Cl	1319895212	SDBHGTWIJXHAFJ-OAHLLOKOSA-N	306.768	3.672	50	20	DHGD	
COc1cc(F)c(F)cc1NC(=O)C1CCC(Cl)CC1	1521596319	MJGSPVFYIVBJNA-UHFFFAOYSA-N	303.736	3.710	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)o1	8117470	HBOIHLIGMAEEOM-RYGRJTBMSA-N	308.385	3.785	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2ccnc3ccccc23)cc1	106925096	OITPBHIEOMPXHN-UHFFFAOYSA-N	319.364	3.557	50	20	DHGD	
O=C(CSc1ccccc1)NNc1ccc(OC(F)F)cc1	121784995	ZHKILZBEQXKXCG-UHFFFAOYSA-N	324.352	3.523	50	20	DHGD	
O=C(NNc1ccccc1)c1ccccc1NCc1ccco1	133097429	BZXXJRQDGRZRFG-UHFFFAOYSA-N	307.353	3.649	50	20	DHGD	
O=C(NNc1ccccc1)Nc1nc2c(s1)CCCCC2	146168437	LCVJVFASFGTTEI-UHFFFAOYSA-N	302.403	3.561	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2c(F)cccc2C1	152660384	XVQIBBIYDKKOGO-LSCVHKIXSA-N	323.327	3.657	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1C[C@@H]1c1c(F)cccc1F	160881772	YBXCGYVHHJMNJX-NWDGAFQWSA-N	320.314	3.659	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNc1ccc(Cl)nn1	175389543	JNKFMHHPICFNMQ-GFCCVEGCSA-N	310.829	3.570	50	20	DHGD	
C[C@@H]1CCC[C@H](OCCCCCC(=O)NNc2ccccn2)C1	181178465	FWXOXMGDGHYHJI-CVEARBPZSA-N	319.449	3.680	50	20	DHGD	
C[C@@H]1CC(=O)CC[C@H]1C(=O)NN(c1ccccc1)c1ccccc1	182873359	FAEZRZDOVQKTFB-DNVCBOLYSA-N	322.408	3.861	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1sccc1OC(F)F	184346354	YRNXQYNWOGCLSI-UHFFFAOYSA-N	316.304	3.554	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1ccccc1C#N)c1ccccc1	188823632	QJSAKDFDMNGDDR-XLXASQRYSA-N	315.376	3.733	50	20	DHGD	
COCc1cccc(/C=C(\C#N)c2cnc3ccccc3n2)c1	191349914	LJHGPITZFAIEOX-MHWRWJLKSA-N	301.349	3.840	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	221848847	WJTMTZFGBPHLNX-ZROIWOOFSA-N	314.385	3.987	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)C1CCSCC1	268764508	XUZIZMXTJIOQGX-UHFFFAOYSA-N	305.230	3.580	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(C(F)(F)F)CCC1	296357296	RYEKZKGHBCMRJX-UHFFFAOYSA-N	300.324	3.733	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(Br)c(Cl)c1	379866400	MXTLFPQRFFHASU-WEVVVXLNSA-N	314.566	3.573	50	20	DHGD	
CCCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	490876721	KTIXEJCMNVDLOH-NTCAYCPXSA-N	322.364	3.727	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cc(Cl)cc(Cl)c1O	728431531	WTHIXHJIKNSFKM-UHFFFAOYSA-N	303.189	3.585	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(F)c(C)c2)cc1	729150975	SGWXGAICTHXMOV-MHWRWJLKSA-N	315.369	3.781	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C1CCCC1	733076318	LKJGXCOKWNMNMT-UHFFFAOYSA-N	310.401	3.681	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1coc2ccccc12	734248279	OKSQTWJYYTXPCH-UHFFFAOYSA-N	309.350	3.799	50	20	DHGD	
CCCCCCCC(=O)NNc1cccc(C(F)(F)F)n1	740132444	HHIYTYPGHZIRMB-UHFFFAOYSA-N	303.328	3.904	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1cccc(C)c1	743301537	JJOHDWIPHNQWEJ-UAGQMJEPSA-N	304.434	3.812	50	20	DHGD	
O=C(NCC(C1CC1)C1CC1)NNc1ccc(Cl)c(F)c1	746772118	KARUKDKAWLBHIW-UHFFFAOYSA-N	311.788	3.541	50	20	DHGD	
CC(=NNC(=O)c1cc(C)n(-c2ccccc2)c1C)C1CCC1	747625182	GFMZORAOAFJCQF-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(Cl)cc2Cl)on1	748011822	CIVDPBWHSAKERW-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)c(C)n1C	748018498	WZQAPEXGJITHOS-UHFFFAOYSA-N	312.200	3.706	50	20	DHGD	
CCCC(=NNC(=O)CC1CCCC1)c1cccc([N+](=O)[O-])c1	749449797	LDRZGOOETQGUTQ-UHFFFAOYSA-N	317.389	3.796	50	20	DHGD	
CN(CCOc1ccccc1F)/C(=C/C#N)c1ccc(F)cc1	750599562	BPLPIVUQIDNJOD-LICLKQGHSA-N	314.335	3.840	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@@H]1C[C@H](C)c2c(C)cccc21	754312647	XPNREVHJXNBVGD-GJZGRUSLSA-N	309.413	3.823	50	20	DHGD	
O=C(NNc1ccc(-c2ccccc2)nn1)C1CCCCCCC1	754471197	VUAHLBMHDHDITD-UHFFFAOYSA-N	324.428	3.947	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)c1cc2ccccc2o1	765580029	FZAQGCUXSYMXRJ-UHFFFAOYSA-N	307.353	3.544	50	20	DHGD	
C[C@@H](CBr)CN(C)CCCOc1ccc(F)cc1	770648274	QXWZOSRYUAAPGR-LBPRGKRZSA-N	318.230	3.557	50	20	DHGD	
C[C@H](CBr)CN1CC[C@H](c2c(F)cccc2F)C1	770668718	PDTBEJBQKJGCEG-MNOVXSKESA-N	318.205	3.785	50	20	DHGD	
C[C@@H]1CCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	771460696	DTARVHXLJQHMQI-BYNSURFDSA-N	311.385	3.971	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1ccc(O)c(Cl)c1	771884783	QFKNKIKFMOJDRW-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2ccc(F)cc2C)c(C)c1	773492928	QOTNAAWSFVWVIJ-UHFFFAOYSA-N	300.377	3.745	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)n(C3CCCCC3)n2)c1	776464242	UNUIACBCJCMTEE-UHFFFAOYSA-N	312.417	3.762	50	20	DHGD	
O=C(Cc1ccncc1)NN=C1CC=C(c2ccc(F)cc2)CC1	776771380	GTXJAOOBQKEIQO-UHFFFAOYSA-N	323.371	3.503	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2cccc(Cl)c2)cc1	780332698	FSWDUOKPIAUGEV-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CCc1ccc(Cl)cc1	788185394	WRIUWQVIHWQTJA-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791076422	PKZPLFMQGYHGNM-LBPRGKRZSA-N	323.368	3.784	50	20	DHGD	
CC1CCC(OCC(=O)NNc2ccc(Cl)c(F)c2)CC1	793713559	RHWOYLDIXMKAIH-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc(OC)c(OC)c1	797397957	MQYUEVBMXBKNSC-CHWSQXEVSA-N	318.417	3.636	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cc(Br)c[nH]1	807959635	WWBWICIVLBQITL-VIFPVBQESA-N	314.227	3.709	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CC1)Nc1ccc(OC(F)F)cc1	814856429	GUDCQHIQPPTYRG-LBPRGKRZSA-N	309.316	3.586	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@H]2C[C@@H]2c2ccccc2)cc1	815000107	RIFXAHGHYRANPB-RHSMWYFYSA-N	309.369	3.606	50	20	DHGD	
C=CC[C@@H](C(=O)NNc1cccc(Cl)n1)c1ccccc1	817009022	RKBCRWLQNYTBQM-CYBMUJFWSA-N	301.777	3.538	50	20	DHGD	
Cc1nc(CCC(=O)NNc2ccc(C(C)C)cc2)cs1	837054269	NWBXEDKTTAQPIN-UHFFFAOYSA-N	303.431	3.651	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCCC[C@@H]2CCCCO2)cc1	838553638	JLCPGOPRNQUZRE-KRWDZBQOSA-N	319.449	3.785	50	20	DHGD	
Cc1ccccc1NNC(=O)[C@H]1CC(C)(C)Oc2ccccc21	839485031	JOJBBPCLEOCYQO-HNNXBMFYSA-N	310.397	3.783	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@H](C#N)CCC#N)C1	852522865	RAZWMNYREGPJGC-GJZGRUSLSA-N	307.514	3.526	50	20	DHGD	
COc1cc(CNC[C@]2(C)C[C@H]2Br)ccc1Cl	858196417	PQRGWAYFGZOMSD-OLZOCXBDSA-N	318.642	3.612	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)c2nc(C(C)C)cs2)nc1	899344831	ZTANEPZDDSQOPF-SDQBBNPISA-N	313.382	3.512	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2ccc(Cl)cc2)cc1C	915952097	SWWOJPQCOGFAND-UHFFFAOYSA-N	300.789	3.650	50	20	DHGD	
COc1cccc2cc(C(C)=NNC(=O)OC(C)(C)C)oc12	916266665	ALURWAFBUTUYBV-UHFFFAOYSA-N	304.346	3.690	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)c1	921259292	MHHVWHVFDNZPEC-MHWRWJLKSA-N	320.348	3.547	50	20	DHGD	
O=C(NN=C1CCc2cc(F)ccc21)c1ccccc1Cl	1116074389	HAADWOAGMKLSDU-UHFFFAOYSA-N	302.736	3.559	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(C3CC3)n2)cc1Cl	1318063879	CCAANSYORVMLLG-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(C)c(C)c1O	1318288846	LBBXBRKBPMVCHQ-UHFFFAOYSA-N	316.788	3.816	50	20	DHGD	
CN(C)c1ncccc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	1322818179	APGQKWJMSHFCQQ-UKTHLTGXSA-N	312.442	3.966	50	20	DHGD	
Cc1ccc([C@@H]2COCCN2C(=O)c2cccc(CCl)c2)o1	1337144224	YWCQGSHIRAKOAA-HNNXBMFYSA-N	319.788	3.541	50	20	DHGD	
C[C@@H](c1cccc(C#N)c1)N(C)C(=O)C1CCC(Cl)CC1	1520259110	YXZAYGZFXKHFRI-YGONEPDPSA-N	304.821	3.875	50	20	DHGD	
Cc1ccnc(NNC(=O)c2csc(-c3ccccc3C)n2)c1	88424797	IIBMEFYXKJLWNX-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
O=C(O)C1=C(P(=O)(c2ccccc2)c2ccccc2)CCC1	100427470	IQUQXSDAEMNCGQ-UHFFFAOYSA-N	312.305	3.523	50	20	DHGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)C1CCCCC1	128921985	HZUADGCSNKFGAV-YBFXNURJSA-N	319.408	3.988	50	20	DHGD	
N#C/C(=C/c1cc(C(F)(F)F)ccc1Cl)C(=O)NC1CC1	152143774	ONCRVNDWBXIZBZ-UITAMQMPSA-N	314.694	3.544	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@H]1c1c(F)cccc1F	160882184	YBXCGYVHHJMNJX-NEPJUHHUSA-N	320.314	3.659	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCc2cccc(O)c2)cc1	181501146	XDXZYIRMHYMQLL-UHFFFAOYSA-N	313.401	3.516	50	20	DHGD	
CC(C)OCCCC(=O)NNc1c(Cl)cccc1Cl	183598353	IQSJXMMMUKTIET-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
COc1ccc(C=NNC(=O)c2cccc3ccccc23)cc1	254763004	HYLTZDUBCOLQBC-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
N#C/C(=C/c1cccc2nccn12)C(=O)Nc1ccccc1Cl	254955871	JCRUCSUJYJEBRG-BENRWUELSA-N	322.755	3.533	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1CCC(C(F)(F)F)CC1	278478565	UTJWLLDYZGRUSZ-UHFFFAOYSA-N	322.277	3.777	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2ccc3c(O)nccc3c2)C1	285739545	PLBYHZPFDVQGET-ZDUSSCGKSA-N	313.401	3.600	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC2(CCC2)[C@@H]1C1CC1	292146592	UULWIQALQMRMFK-OBHPCNEJSA-N	310.372	3.524	50	20	DHGD	
O=C(/C=C\c1cccc(O)c1)NNc1ccccc1C(F)(F)F	492521771	NDRNJLYIZFPXLV-HJWRWDBZSA-N	322.286	3.568	50	20	DHGD	
CCCN(N=C1CCCC[C@@H]1CCCO)C(=O)OC(C)(C)C	496434251	GWLHRIINFWKYOD-CQSZACIVSA-N	312.454	3.952	50	20	DHGD	
O=C(/C=C\c1ccc[nH]1)NN(Cc1ccccc1)c1ccccc1	588547157	JKMRKONMFHXEAA-YPKPFQOOSA-N	317.392	3.766	50	20	DHGD	
CC(C)C[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	588606337	JIJFVBXGELAMLD-KTZOAPACSA-N	312.413	3.584	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2ccccc2)cc1C(F)(F)F	726868379	YSMOQUKAGQNWAV-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
O=C(NN=C1CCCC1)c1ccc(Br)cc1Cl	728782652	OTKAFGQQVGEASL-UHFFFAOYSA-N	315.598	3.762	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=Cc1ccc(C)c(F)c1	731486301	ICWGKNLNNJYJKW-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
COc1ccc(CCC(=O)NN=C(C)c2sccc2C)cc1	733747271	NTQAPRZFDAUJRB-UHFFFAOYSA-N	316.426	3.538	50	20	DHGD	
O=C(NN=C1CCC[C@H]1c1ccc(Cl)cc1)c1ccncc1	741450949	HMJAWFJPLFZAKN-HNNXBMFYSA-N	313.788	3.789	50	20	DHGD	
C[C@H]1CC[C@@H](C)N1CC(=O)NN(c1ccccc1)c1ccccc1	746111683	DZPBYIARQOWRMJ-CALCHBBNSA-N	323.440	3.729	50	20	DHGD	
CC1(C(=O)NNc2ccc(OCC(F)(F)F)cc2)CCCC1	748694964	XNEJSLAEHCDWOU-UHFFFAOYSA-N	316.323	3.651	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccnc2)C[C@@H](c2ccccc2)C1	749853576	PCDCJAKODRWHPM-YOEHRIQHSA-N	307.397	3.771	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC2CCC2)c1C	755503920	MTLSIVFCYIKAHD-LDADJPATSA-N	313.445	3.728	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2C)o1	764411912	OTSBPSGLUDNRQO-NTEUORMPSA-N	310.353	3.589	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(Cl)nc1)c1ccc(F)cc1	764458528	NECQTZKHDHZPIJ-CYBMUJFWSA-N	307.756	3.511	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3ccc(C)nc3)n2)cc1	764887332	LVQAODNQGOBIFE-CXUHLZMHSA-N	302.337	3.813	50	20	DHGD	
COc1cccc(COC(=O)[C@H](Br)C(C)(C)C)c1	766748043	WGBLPWYVFQUEJE-LBPRGKRZSA-N	315.207	3.548	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@H]1CCc2ccccc21	770373885	HVKXGWQBROJPGV-WCQYABFASA-N	311.219	3.681	50	20	DHGD	
C[C@@H](CBr)CN(Cc1cccc(F)c1)C1CC1	770647240	AKWAZSJURZRBEN-NSHDSACASA-N	300.215	3.821	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C[C@H]1CCc2ccccc2C1	771693136	RKEMZUKVCRXIFG-AWEZNQCLSA-N	312.388	3.772	50	20	DHGD	
N#C/C(=C/c1c[nH]nc1-c1ccccc1F)C(=O)C1CCCC1	781554215	INYKGXGJKBZNJG-LCYFTJDESA-N	309.344	3.882	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC(C)(C)C3)n[nH]2)c1	783855069	CUZJMJUAVRMHMA-UHFFFAOYSA-N	324.428	3.989	50	20	DHGD	
CCCc1cccc(C(C)C)c1NC(=O)NNC(=O)C(C)C	788311635	JIGVGDMIHGMWHQ-UHFFFAOYSA-N	305.422	3.571	50	20	DHGD	
CC(C)c1occc1C(=O)NNc1nc(C(F)(F)F)cs1	795162912	BSAYXWCLOKOENZ-UHFFFAOYSA-N	319.308	3.635	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)c3ccccc3)s2)cn1	800790393	KDQLCHQDAYFBFT-ZROIWOOFSA-N	319.389	3.938	50	20	DHGD	
CC(C)Cc1cccc([C@@H](C)C(=O)NNc2cccc(F)n2)c1	804769998	PUCQCQZRIJTCHK-CYBMUJFWSA-N	315.392	3.666	50	20	DHGD	
CC[C@H](C)Oc1ccc(NC(=O)NNc2ncccc2F)cc1	806229137	VIHPOIOOSPDGOU-NSHDSACASA-N	318.352	3.547	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(C)c(Cc2ccc(F)c(F)c2F)s1	806553769	YICDVPIHLMHKNY-JXMROGBWSA-N	323.343	3.673	50	20	DHGD	
CC(C)[C@@H](C(=O)NCC(Cl)Cl)c1cccc(Cl)c1	808129663	VZTGLSXPPODLIG-GFCCVEGCSA-N	308.636	4.000	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(OC(C)(C)C)cc1	808247153	RSKOGBCQFZQGRV-UHFFFAOYSA-N	304.217	3.740	50	20	DHGD	
C[C@H](CO)N(CCO[Si](C)(C)C(C)(C)C)C1CCCC1	808749208	OCZDIJYMLVQTTQ-CQSZACIVSA-N	301.547	3.634	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cncnc1-c1ccccc1	810022065	YKTZAGUJKRBVOK-UHFFFAOYSA-N	324.771	3.554	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)Nc1ccc(Cl)cc1	815004997	PMGJGKJMJWMCNR-UHFFFAOYSA-N	316.792	3.843	50	20	DHGD	
CN(NC(=O)Nc1ccc(OC2CCCC2)c(Cl)c1)C1CC1	824131191	LICVLGMYTGUDCX-UHFFFAOYSA-N	323.824	3.792	50	20	DHGD	
C=CCC1(C(=O)NNC(=O)Nc2ccc(Cl)cc2)CCCC1	831936849	IQHYXYTXWDIRBX-UHFFFAOYSA-N	321.808	3.629	50	20	DHGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)[C@H]1CCCC[C@@H]1C	834923109	XXCOPCMKEUFCTB-WFASDCNBSA-N	312.417	3.575	50	20	DHGD	
O=C(C#CC1CC1)NNc1c(Cl)cc(Cl)cc1Cl	837307330	IUYSORNNRROZIJ-UHFFFAOYSA-N	303.576	3.503	50	20	DHGD	
CC[C@H](C)Sc1ccc(NC(=O)NN)c(C(F)(F)F)c1	841094333	XSDKNHSSHOBTBR-ZETCQYMHSA-N	307.341	3.591	50	20	DHGD	
Cc1nc(C)c([C@H](C)NC[C@]2(C)C[C@H]2Br)s1	851927735	DYNSXGITFGBQPE-KOLSJAJHSA-N	303.269	3.584	50	20	DHGD	
Cc1ccnc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1C#N	853897644	NXNJEZSUKZINBX-CQSZACIVSA-N	317.509	3.862	50	20	DHGD	
CC(=O)c1c(F)cccc1NC[C@@]1(C)C[C@@H]1Br	856785272	HZPYFVVZPFCKOO-WCQYABFASA-N	300.171	3.614	50	20	DHGD	
COc1ccc(C2(NC[C@@H](CBr)C3CC3)CC2)cc1	859232158	FWLJGFUUYNLRSW-CYBMUJFWSA-N	324.262	3.695	50	20	DHGD	
C[C@@H]1[C@@H](C(F)(F)F)CCN1C[C@@H](CBr)C1CC1	859284953	SGONFZUTHJAMBA-IEBDPFPHSA-N	314.189	3.680	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1ccoc1Cl	859658060	WDCWPNQBWHUFFE-MRVPVSSYSA-N	307.571	3.511	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1ccco1	860319950	NJXJSYLRGSZSGO-SNVBAGLBSA-N	312.291	3.935	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cncn2C(C)C)c(C)c1	901418556	JOOHFAAGLNXWNM-LZYBPNLTSA-N	322.412	3.935	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1nc(C)c(-c2ccccc2)s1	914746154	CCCUYMAKDFVPHW-RAXLEYEMSA-N	313.382	3.501	50	20	DHGD	
CCC(=NNC(=O)CNc1ccccc1)c1ccc(CC)cc1	915937115	JJGYBTRGQYMDCG-UHFFFAOYSA-N	309.413	3.591	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2CCCc3occc32)c(C)c1	916577120	KABBWYBWXJJDME-OAHLLOKOSA-N	313.401	3.909	50	20	DHGD	
CCCn1cccc1/C=C(\C#N)C(=O)Nc1ccc(OCC)cc1	918183945	DZGQMKMPIAQKIQ-FYWRMAATSA-N	323.396	3.842	50	20	DHGD	
O=C(NCc1cc2c(s1)CCCC2)NNc1ccc(F)cc1	918230842	SLSYTHYNZVWBTF-UHFFFAOYSA-N	319.405	3.592	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](C[C@@H]2CCOC2)C1	1358100164	ANEACBMHNJQILR-HOTGVXAUSA-N	321.848	3.704	50	20	DHGD	
Cc1cc(CN(C)C)cc(NC(=O)C2CCC(Cl)CC2)c1	1521287866	WQNXLKDFAIKDGY-UHFFFAOYSA-N	308.853	3.793	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc(OC)c2)cc1	33776076	KTKQXMHPUMMRQE-WJDWOHSUSA-N	306.365	3.803	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1csc(-c2cccs2)n1	61195451	ZYUHTXQOBFCJJW-UHFFFAOYSA-N	319.386	3.768	50	20	DHGD	
CN(C[C@H]1CCCOC1)C(=O)CCCC[C@H]1CCSS1	107650552	RBSXTBWRYPQDOV-KGLIPLIRSA-N	317.520	3.586	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)s1	121954228	JRXGOCPCSOHAJF-UHFFFAOYSA-N	312.341	3.669	50	20	DHGD	
Cc1cccc(NC(=O)NNc2c(Cl)cccc2Cl)n1	122159542	SJOWBZIIOKFSRB-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(C)CC1(C(=O)NNc2cc(F)c(F)c(F)c2)CCC1	128650586	RCRDZXOICYHXJP-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
Cc1ccsc1C(=O)NNc1ccc(OC(F)(F)F)cc1	134293877	QFMOOMGHZDHYOS-UHFFFAOYSA-N	316.304	3.712	50	20	DHGD	
Cc1ccc(Cl)c(O[C@H](C)C(=O)NNc2ccccc2F)c1	152804298	GRWUIIGWOOJPLE-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCCC[C@H]1C(F)(F)F	158114213	LPHXKBXIBAHJJY-VHSXEESVSA-N	322.277	3.777	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C[C@H](C)c1ccc(F)cc1	160850462	QHIFUFRCFWEZTD-NSHDSACASA-N	304.340	3.910	50	20	DHGD	
CC(C)(C)C[C@H](O)CNC(=O)CCCC[C@@H]1CCSS1	172308062	AYPQJRBDAPOAAH-QWHCGFSZSA-N	319.536	3.614	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1ccc2ncsc2c1	192746493	FFOILFYQVRBAIM-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@@H](C)CC2CCCCC2)c1	293938419	NQKSTGSPIQWFSS-ZDUSSCGKSA-N	317.433	3.695	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C/c1cc(-c2ccccc2)cs1	588555572	PQJPPKVJYGSXPL-OQLLNIDSSA-N	303.408	3.714	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cccc(OC(F)(F)F)c1	727970976	JPOJYNQEVMUJQH-UHFFFAOYSA-N	314.307	3.616	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(F)c(F)c3F)cc2c1	728715501	KIQAQFLHYJMXGF-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
COc1ccc(NNC(=O)Cc2ccc3ccccc3c2)cc1	729273552	WUABPOWXJPYPON-UHFFFAOYSA-N	306.365	3.534	50	20	DHGD	
N#CCN(C(=O)CCCC[C@@H]1CCSS1)C1CCCC1	737922971	HTNMGQDALSIAAK-CQSZACIVSA-N	312.504	3.995	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc(-c2ccccc2)nn1	754473202	FHEAMHFEZDXYCR-UHFFFAOYSA-N	312.417	3.803	50	20	DHGD	
C[C@@H](CC=NNC(=O)COc1ccccc1F)c1ccccc1	755510210	DVJSLXOYNMMIDJ-AWEZNQCLSA-N	314.360	3.500	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2cc(F)c(F)cc2F)C1	756014012	QXVRZONBPMJZLP-VIFPVBQESA-N	300.324	3.763	50	20	DHGD	
Cc1ccc([C@H](C)N(C)CCI)c(C)c1	759340934	DXVCVQNWELIAJG-LBPRGKRZSA-N	317.214	3.731	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cccc(F)c2F)cc1	760139849	ZBDQNAVCNYZPMI-DHDCSXOGSA-N	313.303	3.924	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1cc(Cl)ccc1O	764669520	UGXIWEAWASEKGI-GFCCVEGCSA-N	308.809	3.978	50	20	DHGD	
CCC1(C)CCN(C(=O)[C@@H](Br)C(C)(C)C)CC1	767933761	AQBSRLSDKKFMHO-LLVKDONJSA-N	304.272	3.835	50	20	DHGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2c(F)cccc2Cl)C1	770198472	TVNLARYEKPVDNP-GHMZBOCLSA-N	314.788	3.518	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(Br)c(F)c1)C(C)(C)C	771674725	LFKXPZHGBSPIOS-MRVPVSSYSA-N	317.202	3.714	50	20	DHGD	
O=C(NN=Cc1cscc1Cl)c1ccc2ccccc2n1	771871398	FDTMXNHVDIEROK-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cccc(F)c1C(=O)OC	773619844	MFDIINAJJMSSHW-GFCCVEGCSA-N	324.396	3.662	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1ncc(Cl)cc1Cl	775264722	SFMDSUCBJHURIE-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
CC(C)CC[C@H]1CCCCN1S(=O)(=O)CCCCCl	780810186	WYDWFSGMFDCWPQ-CQSZACIVSA-N	309.903	3.626	50	20	DHGD	
CN(Cc1cccc(F)c1)C(=O)[C@H](Br)C(C)(C)C	781071734	YSRHOZXVHKTACP-LBPRGKRZSA-N	316.214	3.594	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCCCOc1ccccc1	785343748	HIHZDYWDGWENGW-SAPNQHFASA-N	307.349	3.606	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)c1	786055209	CYKAGAVSVWBOTC-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1)C(=O)NCc1cccc(Cl)c1	786055357	DTIRDCZXODBHGJ-AUWJEWJLSA-N	314.747	3.702	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)c2ccccc2)cn1	790101696	REQJMGZUGLDOPQ-BOPFTXTBSA-N	305.381	3.716	50	20	DHGD	
CSSCCNC(=O)c1ccc(Oc2ccccc2)nc1	791100167	OWFIWODSJONFKL-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
CSSCCNC(=O)CCCC[C@H]1CCSS1	791100555	RKELNWPDBFQDBS-JTQLQIEISA-N	311.563	3.828	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccnn2-c2ccccc2)c(C)c1	792258686	HWUAWRLOCYUIGX-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
C[C@H](Br)c1nc(=O)c2cc(Cl)c(Cl)cc2[nH]1	797400143	OWVORODBGIIWFG-BYPYZUCNSA-N	321.989	3.686	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccoc1Br	799758488	NOWSDECUGWWYGR-UHFFFAOYSA-N	323.190	3.670	50	20	DHGD	
CC(C)(C(=O)NNC(=O)Nc1ccc(Cl)cc1)C1CCCC1	802015288	IDXNKLZUTDVNEX-UHFFFAOYSA-N	323.824	3.709	50	20	DHGD	
Cc1cc(OC(F)F)c(C(=O)N(C)CC(Cl)Cl)s1	808246944	OUPZMPMLUDSZJA-UHFFFAOYSA-N	318.172	3.534	50	20	DHGD	
C[C@@H](Cc1ccncc1)NCc1ccc(OCCCCl)cc1	811482830	UFIDRRZEAAXFNW-HNNXBMFYSA-N	318.848	3.810	50	20	DHGD	
CC1(C)Cc2cccc(/C=C(\C#N)c3ccc([N+](=O)[O-])cn3)c2O1	812242432	QHMJJGUDUFQYAE-RIYZIHGNSA-N	321.336	3.767	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=Cc1cc2ccccc2o1	812391647	MTPYACQEYWOOIK-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
O=C(NN=C1CC[C@H]1C1CCC1)c1cccc(OC(F)F)c1	814835413	QEMBWKYUJJEDEA-ZDUSSCGKSA-N	308.328	3.584	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ncoc1C1CC1	815854245	UMOPJDSAZPVKNI-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
Cc1ccccc1NNC(=O)c1ccc(C)c(-n2cccc2)c1	821693377	NVGNUXCHWSDYOP-UHFFFAOYSA-N	305.381	3.851	50	20	DHGD	
CC(C)C[C@@H]1C[C@H]1C(=O)NNc1cccc(Br)c1	824208475	BGLZOEUCYHBZDQ-ZWNOBZJWSA-N	311.223	3.574	50	20	DHGD	
CCc1c(C(=O)NNc2nccnc2C(C)C)oc2ccccc12	830609284	BGLPMNKKWPSYSZ-UHFFFAOYSA-N	324.384	3.666	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1[C@H]2CCCCCC[C@H]21	830806549	PCCDORDGSDIOLK-FICVDOATSA-N	324.371	3.948	50	20	DHGD	
CO[C@](C)(C(=O)NNc1ccc(C(C)C)cc1)c1ccccc1	837055453	FXWGBWGUTZBIQE-IBGZPJMESA-N	312.413	3.815	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCCC2CCOCC2)cc1	837057660	GVILMEIMENFHAP-UHFFFAOYSA-N	304.434	3.850	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccnn2CC(C)C)cc1C	843265879	QFRHABVDLJJQDB-YVLHZVERSA-N	307.397	3.946	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2Cc2ccccc2)CCCCO1	846461726	NJLLGJHZBYNRDT-FQEVSTJZSA-N	324.424	3.680	50	20	DHGD	
COC[C@H](C)CC(=O)NNc1ccccc1Oc1ccccc1	846464484	ZRKSKGHSQMNTBO-CQSZACIVSA-N	314.385	3.595	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(Cc2cccc(Cl)c2)CC1	848084025	TWOZXDXXFXDSHM-UHFFFAOYSA-N	320.647	3.925	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(O[C@H](C)COC)cc1	853006934	YWIYYVMHSXPJNC-IYFMVNHVSA-N	301.386	3.622	50	20	DHGD	
CC(=O)NOCc1ccc(CO[Si](C)(C)C(C)(C)C)cc1	853662062	XNCIGTYUYOCDGY-UHFFFAOYSA-N	309.482	3.776	50	20	DHGD	
Cc1cc(N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)ncn1	853896663	HINXCPCFMHALRH-AWEZNQCLSA-N	307.514	3.776	50	20	DHGD	
CC(C)[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(F)cn1	857081088	CCGMKQPGASGRTI-RDBSUJKOSA-N	315.230	3.681	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3cc(C#N)ccc32)C[C@H]1Br	857082689	QCWDQSVVSSVCQK-BZUAXINKSA-N	319.246	3.699	50	20	DHGD	
CO[C@H](C(=O)NNc1c(C)cc(C)cc1C)c1ccc(F)cc1	860318114	NXIGDZVTJURNBP-KRWDZBQOSA-N	316.376	3.582	50	20	DHGD	
Cc1cc(Cl)cc(C)c1O[C@H](C)C(=O)NN=CCC(C)C	863966468	BACNTXIHCHURBE-CYBMUJFWSA-N	310.825	3.872	50	20	DHGD	
CC[C@@H](C)C(=O)NNc1ccc(Cl)c(Br)c1	887211274	FLEAQTOKMMHVRQ-SSDOTTSWSA-N	305.603	3.592	50	20	DHGD	
CN(C)C(=O)c1cccc(/C=C(/C#N)c2nc(C3CC3)cs2)c1	899345416	LYNCNPWRDLONPI-DHDCSXOGSA-N	323.421	3.786	50	20	DHGD	
CC(C)c1nn(C)c(Cl)c1/C=C(/C#N)C(=O)c1ccccc1	915981144	JWXMOBPIIWKHHU-LCYFTJDESA-N	313.788	3.987	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCCC(F)F)c1C	1121202668	SLXCNFPPDFDNCL-GDNBJRDFSA-N	323.387	3.583	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C[C@H]1C[C@H]1Cc1ccccc1	1553143044	BJVFHGHKDYKSEV-CHWSQXEVSA-N	300.229	3.517	50	20	DHGD	
CC(C)CC[C@H]1CCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	1776095810	VOEBMYAQLZDCIF-ZDUSSCGKSA-N	316.401	3.707	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC(C)C)c(OC)c1	7208243	GMNDZIDYFRLPEN-XNTDXEJSSA-N	317.385	3.733	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2ncccc2Cl)cc1	92425513	OMXDUBIHYRIXRP-UHFFFAOYSA-N	320.780	3.671	50	20	DHGD	
C[C@@H](OCc1ccccc1)C(=O)NNc1cccc2c1CCCC2	120122272	WFTJSVPLMLMARY-OAHLLOKOSA-N	324.424	3.614	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCOc2ccccc2Cl)c1	127821663	XTVBYKMAUBUZQQ-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2cccc(F)c2F)c1	158862146	DDVMPOVORVCVHI-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	171114067	YFCBKTDKWUDQHM-QQFZQELXSA-N	314.348	3.918	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1cccc2cccnc12	172419992	RUKQTIFWRLZKSJ-UHFFFAOYSA-N	314.295	3.662	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1scnc1C(C)(C)C	184327484	MCWAZWATKJRKIC-UHFFFAOYSA-N	307.394	3.645	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)cc1	184837731	OCRSPFUEBBGXCR-GZTJUZNOSA-N	305.333	3.572	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc2cc(OC)ccc2c1	191754012	POGYIPLJEAZAOT-YVLHZVERSA-N	315.394	3.538	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(OC(F)F)cc1	192754996	LKPVWCWAACNUIX-WQLSENKSSA-N	303.264	3.979	50	20	DHGD	
N#C/C(=C/c1ccc(OC[C@@H]2CCCO2)cc1)c1ccccn1	192924347	XVMXJGKIMKNIJF-XOQYZJNISA-N	306.365	3.704	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)c2cccc(F)c2)c1C	193163490	RCRQZVJZVDXFKD-XNTDXEJSSA-N	311.360	3.839	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(C)nc3ccccc23)c1	193253328	VEJQAFSQBMUEHR-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)C(=O)c3cccc(F)c3)ccc21	194531106	DFUNTYCFIRTJSO-MHWRWJLKSA-N	306.340	3.608	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc3nccn23)c1	255495763	NHMLIXPPEKFTNL-WJDWOHSUSA-N	301.349	3.741	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccnn2C(C)C)c(C)c1	281294412	YGPLJKYJXHMHSY-XNTDXEJSSA-N	308.385	3.627	50	20	DHGD	
CCCc1cc(C(=O)NNc2cccc(Cl)n2)sc1C	293702599	NLJBYSMLZBBEOI-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
COc1ccccc1CC(=O)NN=C1CCC(C(C)C)CC1	729636835	BAYRUVLBLAHFSB-UHFFFAOYSA-N	302.418	3.556	50	20	DHGD	
Cc1ccc(C(=O)NN=C(c2ccccc2C)C2CC2)c(O)c1	731925730	SXHHXEGLFYBSKF-UHFFFAOYSA-N	308.381	3.553	50	20	DHGD	
C[C@H](CC(=O)NNc1nccc2sccc12)c1ccccc1	734249072	ISJWVNHDDCMGPP-GFCCVEGCSA-N	311.410	3.933	50	20	DHGD	
CCCCC1CCC(C(=O)NNc2nccnc2Cl)CC1	734261178	AAIZRBOQJHUVIZ-UHFFFAOYSA-N	310.829	3.570	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cncs1	741765580	HHHVOJRZLDCWQU-UHFFFAOYSA-N	308.794	3.651	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2ccc(Cl)nc2)c(C)s1	745502607	DIXNNMXORMEAJQ-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
CC(C)c1ccc2cc(C(=O)NNc3cccc(C#N)c3)[nH]c2c1	748034137	JLRJXOUAAGRVQZ-UHFFFAOYSA-N	318.380	3.920	50	20	DHGD	
CCO[C@H](C)c1ncc(C(=O)NNc2cc(C)ccc2C)s1	748414866	XSNXJNBKUJCWPS-GFCCVEGCSA-N	319.430	3.614	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccc(Cl)cc3)CC2)c1	749276215	LNMVZDMRTHGHQN-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
Cc1ccccc1CN(C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	750033762	UVISQHRCKNMUEY-WOJGMQOQSA-N	307.353	3.900	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@H](c2ccco2)C1	750045465	QZPISAGLYJKNKI-WBNYAZSOSA-N	309.325	3.542	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1ccc(C(F)(F)F)nn1	752659780	DNWGVVNHVXZQHV-SNVBAGLBSA-N	318.343	3.545	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	759152096	YBBNTRNMVQZAIK-NXEZZACHSA-N	311.769	3.518	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)Cc2ccccc21	766974546	CYEGKMVDSFJYAG-RISCZKNCSA-N	324.262	3.942	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc(Cl)c1)c1ccccn1	773750689	GPSRAAJPBNELSF-CQSZACIVSA-N	303.793	3.762	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)C1CCC1	790436411	AJTUJLYAJSOCKK-QMMMGPOBSA-N	302.205	3.808	50	20	DHGD	
C=C(CBr)COC(=O)c1c(C)[nH]c2ccccc12	795368752	JMDCUIYXRSTAQZ-UHFFFAOYSA-N	308.175	3.584	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCC=C(c2ccco2)C1	796121535	CJQMOKSHGYKDNX-IUXPMGMMSA-N	321.336	3.842	50	20	DHGD	
Cc1ccc2c(c1)CN(/C(=C\C#N)c1ccc(F)cc1)CCO2	796427791	AJSXIAFJCAEACC-LSCVHKIXSA-N	308.356	3.893	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(F)(F)F)cn1	799760916	TUNQFKBUMYAHRD-UHFFFAOYSA-N	323.318	3.728	50	20	DHGD	
CSSCCNC(=O)N(C1CCC(C)CC1)C1CC1	807229203	QPCKHBAUYFIYFX-UHFFFAOYSA-N	302.509	3.750	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NC(=O)NCCSSC)c1	807232272	ZZNFGZAWRWNKCB-LLVKDONJSA-N	314.476	3.997	50	20	DHGD	
CCN(CCO[Si](C)(C)C(C)(C)C)CCc1ccccn1	808735509	ZDISWWYIBUZCBC-UHFFFAOYSA-N	308.542	3.968	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)c1cccc2cccnc12	814824441	WBTHESVAFKPFDJ-UHFFFAOYSA-N	321.405	3.767	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C[C@@H]1c1cccc2ccccc12	816605099	LAKJKAWEXSFRMX-ZIAGYGMSSA-N	308.208	3.863	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC(C2CCCCC2)C1	819009938	SISUBJHKQJWGBH-CYBMUJFWSA-N	316.283	3.835	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H]1CCCC[C@@H]1C	819576176	JKUXNZJXIVAINS-WDEREUQCSA-N	310.829	3.523	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCCC(F)(F)C1	836936628	POGOOLFAGWBXFY-SNVBAGLBSA-N	302.752	3.917	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](c2ccccc2)N(C)C)cc1	837052455	FKTVYRVFLNCFIW-GOSISDBHSA-N	311.429	3.556	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CSC[C@H]2CCCCO2)cc1	837055797	LVMSPXKHEGKTPT-MRXNPFEDSA-N	322.474	3.555	50	20	DHGD	
CC(C)CCCCC(=O)NNc1ccc(OC(F)F)cc1	837490636	VPQHBNHLZDKVHH-UHFFFAOYSA-N	300.349	3.948	50	20	DHGD	
O=C(NNc1cc(F)ccc1Br)C1=CCCCC1	839878528	BAODIBQEGNDTDT-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)C1SCCCS1	841408577	MJMVBICDXJDOIT-UHFFFAOYSA-N	323.270	3.633	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCN1CCCC1	844348407	XVFUCNDBVKFFIC-INIZCTEOSA-N	312.574	3.568	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(O[C@H]2CCOC2)cc1	849177961	APLXDUAKIZBGIX-JMPLCFMRSA-N	313.397	3.767	50	20	DHGD	
COc1cccc(C2(NC[C@@H](C)CBr)CCC2)c1	852692989	FHGUJIUMLUJASL-LBPRGKRZSA-N	312.251	3.695	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1ccc(O)c(Cl)c1	853307208	CWYDKKKTEIPTHF-LLVKDONJSA-N	306.793	3.898	50	20	DHGD	
CC1(C)C(=NNC(=O)OCC(F)(F)F)C[C@H]1c1ccccc1	853429080	CVFDJQKNFOOVKT-NSHDSACASA-N	314.307	3.845	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc(F)n2)C[C@H]1c1ccccc1	853442126	JYVUOHSGDWWHFG-ZDUSSCGKSA-N	311.360	3.520	50	20	DHGD	
N#CSCCCNC(=O)C1=C(c2ccccc2)CCCC1	854367639	VZJXTEIJUVUOIC-UHFFFAOYSA-N	300.427	3.735	50	20	DHGD	
O=C(OCC1CC(F)(F)C1)[C@@]12CC[C@@H](C[C@@H]1Br)C2	869459186	AYMVPPVHQZZHLK-PTOFAABTSA-N	323.177	3.529	50	20	DHGD	
CCc1ccc(C(=O)NN=C/C=C\c2ccccc2[N+](=O)[O-])cc1	916329613	QBCNOMQZOXZGFQ-UOHSBKRPSA-N	323.352	3.586	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC=NNC(=O)c1n[nH]c2c1CCCC2	1321482940	NIHOONRZLMUWAL-CQSZACIVSA-N	316.449	3.777	50	20	DHGD	
CCC1(N2CCC2)CCN(C(=O)c2cccc(CCl)c2)CC1	1514581653	UWSJTVUSVVUMKO-UHFFFAOYSA-N	320.864	3.516	50	20	DHGD	
O=C(O)c1cccc(NNC(=O)c2cccc(C3CCCC3)c2)c1	1602450113	JWQLGWOIRVTRFE-UHFFFAOYSA-N	324.380	3.799	50	20	DHGD	
CCCOc1cccc(NC(=O)NNc2ncccc2Cl)c1	92228021	OVBKNODNNMIDNN-UHFFFAOYSA-N	320.780	3.672	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccc(OC(F)F)cc2)cc1	122346906	BPAGSKNIWQTKIH-UHFFFAOYSA-N	306.312	3.607	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCC[C@H]2CCSS2)cc1	155402962	BARWMWDYJBBNDD-AWEZNQCLSA-N	321.471	3.715	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	172127771	CUFQGDJTINEKJE-DHZHZOJOSA-N	316.307	3.656	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1	255331088	FKVLHZXSABVSKW-HAAVITCDSA-N	307.777	3.966	50	20	DHGD	
Cc1ccc(Nc2nc(CN3CC=C(C#N)CC3)cs2)cc1	272357840	BBDRCNIVGYESSO-UHFFFAOYSA-N	310.426	3.851	50	20	DHGD	
Cc1ccc(-c2nc(C=NN(C)C(=O)OC(C)(C)C)co2)cc1	494003168	XPGOSHLSKXWKES-UHFFFAOYSA-N	315.373	3.851	50	20	DHGD	
C[C@H](CCC(C)(C)C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	588607713	IUTBOWHWBSVLMD-WDGDVPDHSA-N	300.402	3.630	50	20	DHGD	
CC(C)CC[C@H]1CCCC1=NNC(=O)CNc1ccccc1	727253732	HIYMXRWTRNHSRY-OAHLLOKOSA-N	301.434	3.807	50	20	DHGD	
C[C@@H]1C[C@@H](CC(=O)NNC(=O)NC2CCCCC2)CC(C)(C)C1	727364340	SNNUXPAJCHWHRS-KGLIPLIRSA-N	323.481	3.502	50	20	DHGD	
CC[C@H](C)CN(C)c1ccc(F)cc1C=NNC(=O)C1CCC1	734748569	RLMPGSDDMDMKSS-ZDUSSCGKSA-N	319.424	3.558	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2c(C)cccc2C)c1	738594800	KHXVZEBYMKSAKR-YVLHZVERSA-N	321.376	3.962	50	20	DHGD	
O=C(NN=C1CCc2c(O)cccc21)c1cccc2ccccc12	741465119	DEHGPVHTWWWQEK-UHFFFAOYSA-N	316.360	3.626	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)[C@H]1CCCS1	743285298	KSSOXMXBAWUJJI-QGZVFWFLSA-N	312.438	3.620	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@H](c1ccccc1)C1CC1	745406369	CZFHNTLYIHJEEX-OAHLLOKOSA-N	316.792	3.512	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ccc(Br)cc1C	748736863	IZQHZPCTRPVFEY-UHFFFAOYSA-N	323.234	3.969	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	753459741	CQCMOGZOPWYFAF-UHFFFAOYSA-N	313.785	3.908	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)C[C@H](C)COC	755149003	JMKHFZIVDMXVTD-LBPRGKRZSA-N	320.458	3.996	50	20	DHGD	
CC[C@H](CC(F)(F)F)NC(=O)NNc1c(C)cc(C)cc1C	761035376	CHEGUMVMLUKASP-GFCCVEGCSA-N	317.355	3.969	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1cc(F)ccc1F	766745459	DSDGXLJIHPLPEU-NSHDSACASA-N	321.161	3.818	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1nc(C2CC2)cs1	767323581	USZVMUXJFRBGDN-SECBINFHSA-N	317.252	3.769	50	20	DHGD	
Cc1c(F)cccc1NC(=O)NNc1nc2ccccc2s1	770053705	VFEXIKNDIMXZRU-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1cc(C(=O)OC[C@@H](C)CBr)c2ccccc2n1	770305322	NBBUZPIMNGOFAX-JTQLQIEISA-N	322.202	3.731	50	20	DHGD	
CC1(C)CCC[C@@H]1C(=O)NNc1cccc(Br)c1	773456659	XLOFFBYPVRURJP-GFCCVEGCSA-N	311.223	3.719	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	786040955	SAVRGXOIUHQCPK-CSKARUKUSA-N	309.774	3.775	50	20	DHGD	
CC1(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCCCCC1	788148513	LTCHXQWHTHDTDQ-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccnn1C(CC)CC	799756689	HFRRCWIBALWVRT-UHFFFAOYSA-N	314.433	3.872	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3ncccc3F)s2)o1	804220403	XMHWBUWDSQBGCM-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@H]1C[C@H]1c1ccc2ccccc2c1	804767362	JKBNFOTWWBXVMO-HOTGVXAUSA-N	321.355	3.621	50	20	DHGD	
CC[C@H]1CO[C@@H](C)CN1Cc1ccc(OCCCCl)cc1	811453395	LMUCXWTYBQLVSI-HOCLYGCPSA-N	311.853	3.694	50	20	DHGD	
C[C@H]1COC(C)(C)CN1Cc1ccc(OCCCCl)cc1	811495732	QDVKCNQCJJAUMC-AWEZNQCLSA-N	311.853	3.694	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(F)c3C#N)[nH]c12	811691820	SDDDBCRHLIODQE-MDWZMJQESA-N	302.312	3.946	50	20	DHGD	
CC1(C)CCCCC1=NNC(=O)CSc1ccccc1O	814969714	SIOYBHJUMUCECT-UHFFFAOYSA-N	306.431	3.557	50	20	DHGD	
CCC[C@H](C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834933423	PGHDNQJIJOYWQH-SNVBAGLBSA-N	303.189	3.524	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cc(-c3ccccc3)on2)[C@H]2CCC[C@H]21	853286814	VHMMSXSUVPRZFH-UONOGXRCSA-N	323.396	3.884	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cncn2C(C)C)c(C)c1	901418786	DNUBSUYKUCNTAK-OVCLIPMQSA-N	308.385	3.627	50	20	DHGD	
CCc1nc2cc(NC(=O)[C@@]3(C)C[C@@H]3Br)ccc2o1	906328506	BSIUVQJJBVQARM-FZMZJTMJSA-N	323.190	3.502	50	20	DHGD	
CSc1ccc(N(C)C(=O)[C@]2(C)C[C@@H]2Br)cc1	906663249	DLOJVEOKIVYHHH-WCQYABFASA-N	314.248	3.545	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NN(C)c2ccccc2)cc1	916737293	BKINTXRDUSRINQ-UHFFFAOYSA-N	300.427	3.968	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2ccc(Cl)c(C)c2)CCO1	928340268	VMINGAKJGOVPHV-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NNc2cccc(Cl)c2)c1	30609966	AUEYDSDTIWAYKK-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc2ncccc2c1)C1CCCCC1	112224588	AUMBQYFZTDFTLX-LGMDPLHJSA-N	319.408	3.933	50	20	DHGD	
O=C(NNc1ccncc1Cl)C1(Cc2ccccc2)CCC1	137119229	AAKBLZCGSGAVJN-UHFFFAOYSA-N	315.804	3.591	50	20	DHGD	
I[C@H]1CCCC[C@H]1OCc1ccccc1	145743732	QVNKXHYZMIFDCQ-QWHCGFSZSA-N	316.182	3.949	50	20	DHGD	
O=C(NNc1ccccc1F)c1cnc(-c2ccccc2)s1	153023831	SNTWVORZJHSPFB-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
N#C/C(=C\c1cnc(C2CCC2)s1)C(=O)NCc1ccccc1	155143438	INYARDHVRHSTIW-OQLLNIDSSA-N	323.421	3.634	50	20	DHGD	
Cc1ccc(Br)cc1C(=O)NNc1ccc(F)cc1	173032248	LWFWEWISYVBKTB-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C=CCCCC(=O)NNc1ccc(Br)cc1Cl	175566905	KTYWHUYSLATASF-UHFFFAOYSA-N	317.614	3.902	50	20	DHGD	
CCO[C@@H](C)C(=O)Nc1c(CC)cc(SC#N)cc1CC	175631361	VJLJUTXGFYMDRU-NSHDSACASA-N	306.431	3.748	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)Nc1cccc(Cl)c1C	192772731	YZNCWDLPYXRXON-KPKJPENVSA-N	315.760	3.799	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NNc1ccccc1	196086442	ROXXCLAEJPRHOS-AWEZNQCLSA-N	306.365	3.750	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccnn1C(C)C)c1ccccc1	280894568	FHBWCOMTBHNVTL-QIPRVMPFSA-N	322.412	3.638	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)c2ccc(C(C)(C)C)cc2)nn1	286951151	ATLWHYBVSPBVAY-XNTDXEJSSA-N	322.412	3.946	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(Cc1cccs1)C1CC1	490908175	JVDFNYGXHFVYDQ-UVTDQMKNSA-N	324.405	3.552	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(O)c(Cl)c1)c1ccccc1	731932098	YQRQMWYUHBVIRU-CQSZACIVSA-N	316.788	3.690	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@H](C)CCC)cc1	743821948	ZALSYQJZHJBKIC-CYBMUJFWSA-N	321.490	3.783	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2ccc(F)c(Cl)c2)c1	748407388	GNVCUWQZVYLHHI-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
COc1cccc2cc(C=NNC(=O)CCc3ccccc3)oc12	749748166	ZLYQOOMUULMPHB-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(F)c1)c1cccc2ccccc12	755745447	VNJCAACGHJEQBW-UHFFFAOYSA-N	310.303	3.882	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)cc1Cl)C1CCC1	756735096	YMAVYOAXYWKKLS-QMMMGPOBSA-N	302.205	3.808	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccc(-c2ccccc2)nn1	762260443	LRDXWZYTYMSJAB-CYBMUJFWSA-N	312.417	3.659	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)SCc1ccccc1	771713906	YSQYOXHXAONAEH-CYBMUJFWSA-N	318.417	3.899	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(OC(F)F)cc2)o1	776258737	UXWNUVWRVPVNRI-XYOKQWHBSA-N	303.264	3.979	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)C1CCSCC1	777438597	HHODDNHEXRYGEB-UHFFFAOYSA-N	302.399	3.682	50	20	DHGD	
Cc1cc(C)c(CC(=O)NNc2ccc3ccccc3n2)c(C)c1	777461536	KSNHVESUCUYUBY-UHFFFAOYSA-N	319.408	3.846	50	20	DHGD	
CCOc1c(Cl)cccc1C=NNC(=O)c1ccccc1F	782115177	ZFIBDRWYUBDOEF-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)cc2cccnc12	783697034	PBUGIEPPMBUVJZ-SFQUDFHCSA-N	319.408	3.899	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1cc(-c2ccco2)on1	785349406	AKDKMWYMQVBYEB-ZROIWOOFSA-N	320.304	3.585	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)c(O)c(C)c2)c1	786055693	HKUMQKHUGWUOBO-ZDLGFXPLSA-N	320.392	3.541	50	20	DHGD	
CC(C)c1ccoc1C(=O)NNc1ccc(Br)cc1	786427037	NJFSNNJZTHHIGT-UHFFFAOYSA-N	323.190	3.922	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1cccc(C#N)c1	788714254	SJVIXCCHIBCEKR-UHFFFAOYSA-N	311.772	3.538	50	20	DHGD	
CSSCCNC(=O)Cc1cccc(Cl)c1Cl	791096463	DDSWJIAZEPBXKA-UHFFFAOYSA-N	310.271	3.663	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)C3CCOCC3)co2)cc1	794958200	JMVXYWMJZVYQOD-YBEGLDIGSA-N	322.364	3.553	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cccc(C(C)=O)c1	799375651	FLHJXOYTVNRKLS-UHFFFAOYSA-N	311.385	3.909	50	20	DHGD	
CCCN(NC(=O)c1ccc(CC)s1)C(=O)OC(C)(C)C	804593443	JIWOGAVJJDQWBQ-UHFFFAOYSA-N	312.435	3.602	50	20	DHGD	
Cc1ccccc1-n1cc(/C=C(/C#N)C(=O)C2CCCCC2)nn1	806573755	RKZDZZUPVKOKOI-WJDWOHSUSA-N	320.396	3.632	50	20	DHGD	
N#C/C(=C\c1cnc(C2CCC2)s1)c1ccc([N+](=O)[O-])cn1	812244586	FRLWGXVGXDMZQV-IZZDOVSWSA-N	312.354	3.778	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(Cl)c(N)c1	814732636	RLVRNOUDKRHLHO-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1cccc2ccsc12	817004878	UPILOTJIYFADQL-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCc1nc(CNCc2ccc(OCCCCl)cc2)co1	825062468	XKEKUMYDXDMDNY-UHFFFAOYSA-N	308.809	3.535	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CC2(Cl)Cl)cc1	837364324	YDPPDMDGFRVJPX-NSHDSACASA-N	316.232	3.630	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC(C)C)c(OC)c1)[C@H]1C[C@H]1C	841612280	HLLTXCOHOAYFQP-OCCSQVGLSA-N	318.417	3.634	50	20	DHGD	
O=C(NN=C1CC[C@H](c2cccc(Cl)c2)C1)[C@H]1CCCCO1	841640594	NYBBORPSOFQIMJ-XJKSGUPXSA-N	320.820	3.649	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCCCCO)C1	844335596	GEBKZUDLTRLEQH-OAHLLOKOSA-N	301.547	3.635	50	20	DHGD	
Cc1noc(C)c1CN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852521981	DFLPDNAZTVJWBW-CQSZACIVSA-N	310.514	3.888	50	20	DHGD	
C[C@@H](c1csnn1)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852524248	PLASATHWJINAOC-NWDGAFQWSA-N	313.543	3.695	50	20	DHGD	
Cc1cccc(NNC(=O)C2(Cc3cccc(Cl)c3)CC2)n1	862519532	JEMUHGJRUHKHQC-UHFFFAOYSA-N	315.804	3.509	50	20	DHGD	
N#C/C(=C/c1c(Cl)cncc1Cl)C(=O)NC1CCCCC1	865214561	UEEFRTWXHMRYDI-POHAHGRESA-N	324.211	3.744	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C(C)(C)c1c(C)noc1C	885126761	FNADNXRIQICWLJ-UHFFFAOYSA-N	321.808	3.674	50	20	DHGD	
Cc1cc(OC(=O)c2cn(C)c3ccccc23)ccc1[N+](=O)[O-]	921245617	PQEJRVOIVYBLBY-UHFFFAOYSA-N	310.309	3.614	50	20	DHGD	
Cc1cc(NNC(=O)c2c(C)noc2C2CC2)ccc1Cl	928340459	ZITNPMZKAGYFGI-UHFFFAOYSA-N	305.765	3.579	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(N)cc1Cl)c1ccccc1	1261222994	GHAGZVVGANTGAB-OAHLLOKOSA-N	315.804	3.566	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)c2nc(N)c3ccccc3n2)c1	1337903273	XOLMBESFPAWAGL-GDNBJRDFSA-N	300.365	3.893	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNc1cccc(C(=O)O)c1	1605266480	SHSWOOHWJNLYGB-ZDUSSCGKSA-N	306.406	3.825	50	20	DHGD	
CCCC1CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	6039514	CZQCUXZNJGAZTO-UHFFFAOYSA-N	303.362	3.671	50	20	DHGD	
C[C@@H](NC(=O)NNc1cccc(C#N)c1)c1cc2ccccc2o1	43876323	WIPKRWZIPCLNDU-GFCCVEGCSA-N	320.352	3.692	50	20	DHGD	
ClCOc1ccc(Br)cc1Br	86491230	MYXOVQNTQQYFKI-UHFFFAOYSA-N	300.377	3.787	50	20	DHGD	
O=C(NNc1ccccc1)c1cccc2c3c([nH]c12)CCCC3	111550812	QPTWSHPXZILELW-UHFFFAOYSA-N	305.381	3.804	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1)c1ccccc1	112224445	JKNSFFYCOOUDBS-LCYFTJDESA-N	312.756	3.616	50	20	DHGD	
CC[C@@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1	118516379	KMOZUPLPAQIXAM-LBPRGKRZSA-N	304.340	3.992	50	20	DHGD	
C=C[C@@H](CC(=O)NNC(=O)Nc1ccccc1C)c1ccccc1	120062800	NVCZTKLXYQGHHW-HNNXBMFYSA-N	323.396	3.508	50	20	DHGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NNc1cccc(F)c1	154728468	JRTRLITUBSDXEU-LLVKDONJSA-N	322.380	3.836	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H](C)c2ccc(C(C)C)cc2)ncn1	172410119	MGVFZHYCFUMSJX-CYBMUJFWSA-N	312.417	3.545	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccccc1C(C)(C)C	182878710	ZCWRJTFZKJLWHB-UHFFFAOYSA-N	307.394	3.545	50	20	DHGD	
CCc1ccc(O)c(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	183788007	LGOKPMZGJUOMMU-ZROIWOOFSA-N	310.328	3.639	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cc(C)n(C2CC2)c1C	184289866	SUTUUUWZHQZGIZ-UHFFFAOYSA-N	301.365	3.644	50	20	DHGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccc(SC(C)(C)C)cc1	184768672	VXTUMUGVGKTIJG-NSHDSACASA-N	323.462	3.776	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(Cl)c(F)c1	192098265	CTUTZZADBMFJPG-XFFZJAGNSA-N	301.770	3.558	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2OC)ccc1C	194519528	WEAQUQNZSWDDTP-GDNBJRDFSA-N	322.364	3.558	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(F)cc2F)cc1	211686086	OTPFZHUEQPBACM-NVNXTCNLSA-N	319.332	3.612	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2c(F)cccc2Cl)no1	274443665	HGMSAJPKIUKILA-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCCc2occc2C1	367317856	NKAKJBIWKGMAPS-APSNUPSMSA-N	309.325	3.501	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2occc2C)cc1Cl	490663996	MZVFIQXADIKACK-XFFZJAGNSA-N	316.744	3.796	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)c1cnc2ccccc2n1	588581025	ZBGIIYPJYATVDC-FOWTUZBSSA-N	323.359	3.880	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)c1sccc1C	733745864	CSPYIZBJQIIPJG-GFCCVEGCSA-N	320.389	3.503	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2ncccc2Cl)cc1	734246168	ZLFTZJHPSKUKDV-UHFFFAOYSA-N	317.820	3.619	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(C)c(C)c2)cc1	734304565	OJXDVPJBFNNVEJ-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1cc(F)c(F)cc1F	734552047	JONXHTOFRWAWRU-UWVGGRQHSA-N	300.324	3.763	50	20	DHGD	
Cc1ccc(OCC(=O)NN=CC2CCCCCC2)cc1C	741838028	PZMZLGQHFINCAL-UHFFFAOYSA-N	302.418	3.755	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(Br)cc1Cl	743438619	NRIUVWBTLGHJGQ-MRVPVSSYSA-N	317.614	3.599	50	20	DHGD	
O=C(NNc1nccc2sccc12)Nc1cccc(F)c1	748821985	TZXGTDRIYCLGRP-UHFFFAOYSA-N	302.334	3.584	50	20	DHGD	
Cc1nccc([C@H]2CCCN(/C(=C/C#N)c3ccc(F)cc3)C2)n1	750794892	LGILPMVWKKFSJP-SNTNMBAUSA-N	322.387	3.668	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@H]2CCc3ccccc32)cc1	755567093	SWQMBOREKQSDRO-MRXNPFEDSA-N	324.449	3.919	50	20	DHGD	
CCCC1(C(=O)NNc2ncccc2C(F)(F)F)CCC1	759257038	GVTFZSYCMSRAGG-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
C[C@H](C[C@@H]1CCOC1)NC(=O)CCCC[C@H]1CCSS1	759813144	FKVKQQNXQNDUHX-RDBSUJKOSA-N	317.520	3.632	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ccccc1Br	761996333	INMOYXKLCVHQFY-JTQLQIEISA-N	313.239	3.965	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)[C@@H]2CCCc3cccc1c32	763290427	QZFLNMNPMAOUQT-CIKBWMHTSA-N	312.800	3.822	50	20	DHGD	
C[C@@H]1N(C(=O)CCCC[C@H]2CCSS2)CCOC1(C)C	763704856	RTKIANKPBPKSBR-STQMWFEESA-N	317.520	3.726	50	20	DHGD	
CCC[C@@H](C=NNC(=O)c1ccc2c(c1)OCO2)c1ccccc1	769566844	IUBUPPBIOIHVKW-INIZCTEOSA-N	324.380	3.715	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1cc2ccccc2o1	770358097	JOKMFBHQLJJGMQ-JTQLQIEISA-N	311.175	3.550	50	20	DHGD	
CCC(=NNC(=O)c1c[nH]c2ccccc12)c1cccc(F)c1	783508659	ZLHJYOCLHRCLRX-UHFFFAOYSA-N	309.344	3.851	50	20	DHGD	
C/C(C=NNC(=O)CC(C)(C)C)=C\c1cccc([N+](=O)[O-])c1	787154083	DYRURYVXUBRBTC-CYCWZAIZSA-N	303.362	3.536	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1ccc(OC)c(OC)c1	788949998	BXKFZVPTHLXPOV-UHFFFAOYSA-N	318.417	3.946	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)NOC1CCCCC1	790508226	PNRFMUAUJTXJRK-UHFFFAOYSA-N	318.204	3.884	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)Cc1ccc(F)cc1)c1ccccc1	794486988	VBZWSNNJPNZKMQ-GOSISDBHSA-N	312.388	3.910	50	20	DHGD	
CCCN(N=Cc1ccc(C)c([N+](=O)[O-])c1)C(=O)OC(C)(C)C	794996244	CLLXJPZKRPYUAC-UHFFFAOYSA-N	321.377	3.884	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1cc(F)ccc1F	799757678	FKIKPBNDFQKJRV-UHFFFAOYSA-N	318.367	3.912	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(O)c(C)c1	815005930	BNNBRKGWOMDAMK-UHFFFAOYSA-N	319.311	3.525	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1cccc(O)c1Cl	834412751	QEXNUNVFAKRFPM-JLHYYAGUSA-N	306.793	3.649	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1ccc(Cl)s1	839399485	WODVXJWUIHSFSD-UHFFFAOYSA-N	317.801	3.576	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CC[C@H]1CC1(Cl)Cl	854335823	JNHWNURVJXJHTB-LBPRGKRZSA-N	315.244	3.975	50	20	DHGD	
C[C@H](C(=O)NNc1nc2ccc(Cl)cc2s1)C(F)(F)F	856234448	ZDAFAJCFUALJDB-RXMQYKEDSA-N	323.727	3.591	50	20	DHGD	
CCCCCN(C(=O)NC[C@]1(C)C[C@H]1Br)C(C)C	856953157	GDYRZTLIGIFJJV-OCCSQVGLSA-N	319.287	3.770	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)c(O)cc1Cl	865220865	RWNGHLJDSMURRW-PQTFEYQYSA-N	307.777	3.966	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)CNc2ccccc2F)cc1	915919248	NZGKKPQWJVCFGQ-UHFFFAOYSA-N	313.376	3.511	50	20	DHGD	
COC(=O)c1ccc(-c2ccc(/C=C(\C#N)C(=O)C(C)C)o2)cc1	915990543	OIQOVQATFRFDMV-XNTDXEJSSA-N	323.348	3.865	50	20	DHGD	
O=C(NN=C1CCSCC1)c1ccc(Cl)cc1Cl	916360319	OVSMGTIQJWCAAN-UHFFFAOYSA-N	303.214	3.606	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C/C=C/c1ccco1	920364723	IPKJRYXGHGWSPJ-OCMLDYKBSA-N	320.801	3.841	50	20	DHGD	
CCCNC(=O)NN=Cc1c(Cl)ccc(Cl)c1Cl	920988143	DGIITPHDCCIYKK-UHFFFAOYSA-N	308.596	3.690	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)c2ccccc2Cl)c1	1317711760	CHQPUVYGZKFYPI-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CCC[C@H](C)c1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)n[nH]1	1329333919	HVUGJHBELCPHPC-IGVUGNCQSA-N	324.384	3.565	50	20	DHGD	
C/C(=C\c1ccc(C)cc1)C(=O)NNc1ccc(C(C)(C)C)nn1	1343518021	RZTDJHIVZASRQX-WYMLVPIESA-N	324.428	3.629	50	20	DHGD	
O=C(N[C@H]1C[C@H](c2cccc(F)c2)C1)C1CCC(Cl)CC1	1347532161	PFCCSLQJHHUXRE-FTVZYCLASA-N	309.812	3.986	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)/C=C\c2nccs2)cc1	1519725306	HFRAWIBYBWRXSR-HJWRWDBZSA-N	301.415	3.597	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(C(=O)O)c1C)C(C)(C)C	1595036941	JQUOYBGTGYFRMA-GFCCVEGCSA-N	306.406	3.599	50	20	DHGD	
O=C(NNc1ccccc1C(=O)O)c1ccc(C2=CCCC2)cc1	1601560934	GYPMSJLKWYJQLN-UHFFFAOYSA-N	322.364	3.709	50	20	DHGD	
N#CC1=CCN(Cc2nnc(-c3cccc4ccccc34)o2)CC1	1645166009	GNTANFDRRXWESM-UHFFFAOYSA-N	316.364	3.545	50	20	DHGD	
CCCC(=NNC(=O)c1cccc(C(=O)O)c1)C1CCCCC1	1776095263	ORFDVODVEVZBEV-UHFFFAOYSA-N	316.401	3.851	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)NC(C1CC1)C1CC1	45437732	WLTASPZTAHEVRA-UHFFFAOYSA-N	313.323	3.520	50	20	DHGD	
N#C/C(=C\c1csc2ccccc12)C(=O)Nc1nccs1	73692813	ZYYULIVOGCHZCX-JXMROGBWSA-N	311.391	3.903	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccccc2OC(F)F)c1	127571909	RTYIOFGJHXNVMR-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(Cl)c(F)c1	129525559	XIOFKOIXUXMABB-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C#N)o2)c1C	174056235	SIUMEOKSJSBLKB-NTEUORMPSA-N	307.353	3.770	50	20	DHGD	
COc1sc(/C=C(\C#N)C(=O)C(C)C)cc1Br	178982129	VLGVDVSFKJIDHU-XBXARRHUSA-N	314.204	3.651	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2c(C)cccc2F)cc1	183891796	NZGQHWRVZMTPJJ-UHFFFAOYSA-N	303.337	3.681	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccc(F)cc2Cl)c1	193495299	KMJAWUNWISLVGV-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cc1C#N	194540767	LIECZZPAWXLCGZ-LHHJGKSTSA-N	324.286	3.635	50	20	DHGD	
CC(C)[C@@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	194610324	CYZGKXUWFCZSAO-WISAJEAXSA-N	312.413	3.584	50	20	DHGD	
COc1ccc2ccccc2c1C=NNC(=O)c1ccccc1C	252460402	FAWYQLWSSZYGIB-UHFFFAOYSA-N	318.376	3.921	50	20	DHGD	
CC[C@H](C)OC(=O)/C(C#N)=C\c1cc(C)n([C@H](C)COC)c1C	255078363	WZXQCFJUJHXKNA-ATEAVEDXSA-N	318.417	3.561	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cccc3cnccc23)n1	269583215	CCFBKGBSVDAKJW-UHFFFAOYSA-N	323.400	3.549	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(Cl)nc2ccccn12	279946484	AUGZOZZOMIRODB-PKNBQFBNSA-N	301.777	3.900	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1nc(Cl)cs1)c1ccccc1	490783563	RCRNSUUZSSREBQ-QVIVLVACSA-N	317.801	3.581	50	20	DHGD	
O=C(/C=C\c1cccc(F)c1)NNc1ccc2ccccc2n1	492330132	MRARFBWBNRTMSB-FLIBITNWSA-N	307.328	3.530	50	20	DHGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1cccc(F)c1	588597737	WYNPXOXBQCHZSR-WCIBSUBMSA-N	303.239	3.599	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)CCCc2ccccc2)o1	727688960	KGGSFTQNDNOQTJ-RHSMWYFYSA-N	310.397	3.876	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)s1	731155734	RJXWJGNSXQRMHZ-DEQITEPFSA-N	302.443	3.912	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1nccc2ccccc12	733680702	DASYNUIOZLNDKA-UHFFFAOYSA-N	322.320	3.979	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1cccc(C)c1C	734294924	MHFCQYBBCQGCAF-UHFFFAOYSA-N	319.408	3.868	50	20	DHGD	
CC(C)(C)CCCNC(=O)NNc1ccc(OC(F)F)cc1	740486543	XMULNJOEURILFM-UHFFFAOYSA-N	315.364	3.740	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc(OC)c(Cl)c1	741468345	RZQRUJKBBJOFRX-GXDHUFHOSA-N	320.820	3.952	50	20	DHGD	
Cc1ccnc2[nH]c(/C(C#N)=C\c3nccc4ccccc34)nc12	741473483	QNQVGCRGSKPTJF-UVTDQMKNSA-N	311.348	3.879	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cccc(O)c1	741765748	KURVSQUZYRFLFM-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H](C)c2ccco2)ccc1Br	743415938	GTWZXHMRHCUSMQ-JTQLQIEISA-N	323.190	3.597	50	20	DHGD	
CCC(=NNC(=O)c1cc(Cl)ccc1O)c1ccccc1	744773994	VUMFMHWVVQYYTF-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
O=C(NCC1CCCCCCC1)NNc1ccc(Cl)nc1	745690431	UUDJPRPAAFSTQZ-UHFFFAOYSA-N	310.829	3.722	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCOc2ccc(C)c(C)c2)c1	748381484	GONMILFWWLPNGP-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
Cc1ccccc1NCCC(=O)NNc1cccc2c1CCCC2	748580525	FEIRVRDACUHHEJ-UHFFFAOYSA-N	323.440	3.819	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)c1cc2ccccc2o1	749473447	GQLOPNCVGGSUIN-CYBMUJFWSA-N	316.401	3.800	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H](C)CC(C)(C)C	751164771	HNSROPOYKVJUDN-LLVKDONJSA-N	309.362	3.971	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)CNc2ccccc2)c2ccccc21	752720017	YTNOKEBQHLTREE-CQSZACIVSA-N	307.397	3.516	50	20	DHGD	
CCCCO[C@H](C)C(=O)NNc1cc(Cl)ccc1Cl	752810701	MZHVTZXUFYPTML-SECBINFHSA-N	305.205	3.642	50	20	DHGD	
O=C(NN=Cc1cnc(C2CCC2)s1)c1cccc(Cl)c1	760233784	APYDNVKLRBTFBU-UHFFFAOYSA-N	319.817	3.828	50	20	DHGD	
CCN(C[C@H]1COc2ccccc2O1)/C(=C/C#N)c1ccccc1	764121034	LZFKIXZGJHLAKO-BOFQVRIASA-N	320.392	3.713	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2cccc3cnccc23)c1F	767092795	DEKRRROBJDYSQL-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2ccc(Cl)nc2)cc1	768169331	LIDFBFNZWOFWEI-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Nc2cc(Cl)ccc2C)c1	778232208	IRNFQHMVJBFJBL-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CCc1ccc(O)c(NC(=O)[C@H](Br)C(C)(C)C)c1	781098488	TZQOZUSKMVYLFN-LBPRGKRZSA-N	314.223	3.703	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(C)c(F)c2)c1	786056131	MFUPVEQHXDZSLV-RQZCQDPDSA-N	308.356	3.666	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccc(F)cc2F)CCC1	788513960	YJSZDOHPGAOCPM-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCc1cncc(C(=O)NNc2ccc(Cl)cc2Cl)c1	789993734	DMAUHYHLLSRHEO-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@H](F)CC2CCCCC2)c1	793712117	BPSZROCZDPFBIX-OAHLLOKOSA-N	312.360	3.586	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(C(F)(F)F)cn1	793850780	JAMAIPGRSRAOJS-CYBMUJFWSA-N	303.328	3.760	50	20	DHGD	
Cc1oc(C#N)cc1C(=O)NNc1cc(Cl)cc(Cl)c1	798001644	PQHXNIPBAJCKBC-UHFFFAOYSA-N	310.140	3.523	50	20	DHGD	
C=CC[C@@H](CC)NC(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	798551313	QLZGWKGMKHCZRE-XCMFGDQWSA-N	313.445	3.893	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1ccc(F)c(F)c1F	802827292	ZHNOUCLURHDSAS-UHFFFAOYSA-N	312.291	3.886	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1cc2c(ccc3ccccc32)[nH]1	804767940	YUSGFFKKCNBJAF-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
COc1ccc(NC(=O)NN=Cc2cc(Cl)ccc2F)cc1	815000301	VGSWCTUDHJBENL-UHFFFAOYSA-N	321.739	3.643	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1CCCCC1(F)F	826589934	MJBQWCACTLXPSM-VIFPVBQESA-N	306.715	3.748	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(C)[C@H]2CCCC[C@@H]2C)c1	834925834	DZYMAYMIIXBIRZ-SJCJKPOMSA-N	318.417	3.636	50	20	DHGD	
Cc1ccncc1CNC(=O)NNc1c(C)cccc1C(C)C	838675632	HCCZJZHHNNMGDY-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)c1nccn1C	851582429	YTSKYHIWGYWSNT-NEPJUHHUSA-N	314.476	3.738	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C[C@H]2CCC[C@H](C(F)(F)F)C2)cc1	853297736	KBYXNAJYEYFTHL-JSGCOSHPSA-N	323.318	3.643	50	20	DHGD	
Cc1cc(CNC[C@@]2(C)C[C@@H]2Br)cc2cccnc12	856808695	DDURXJBQJXTMEM-GOEBONIOSA-N	319.246	3.806	50	20	DHGD	
C[C@@H](CN(C)C[C@H](CBr)C1CC1)c1nccs1	859246208	OWFLUMBAQYZEJB-JQWIXIFHSA-N	317.296	3.600	50	20	DHGD	
O=C(NNc1ccc(Cl)c(Br)c1)C1=CCCC1	887212206	YNZSQMAOODGXRF-UHFFFAOYSA-N	315.598	3.656	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2ccc(Cl)c(C)c2)CCO1	928340264	VMINGAKJGOVPHV-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
CC[C@@H](NC(=O)c1cccc(CCl)c1)[C@H](O)c1ccccc1	1262638196	QPVXEQCQGUMPJX-IAGOWNOFSA-N	317.816	3.667	50	20	DHGD	
COc1ccccc1-c1ccc([C@@H](C)NC(=O)CCl)cc1	1341509995	WEQNHNZYLHXLCL-GFCCVEGCSA-N	303.789	3.778	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1ccc(C(F)(F)F)cc1	1344655320	KAYKOHIVVVCGCU-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(F)c1C(=O)O)C1CCCCC1	1592252569	MWFBPAYVDWLURX-NSHDSACASA-N	322.380	3.574	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3c(ccc4ccccc43)o2)CC1	1631967965	ZLYNYRKTPKJVGT-UHFFFAOYSA-N	302.333	3.882	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)c1C	1777443659	AUKJGWAURUCRNR-ZSOIEALJSA-N	323.323	3.931	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(CC(=O)O)cc3)[nH]c12	1777448231	FJGDBYLXDSACED-DHDCSXOGSA-N	317.348	3.563	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2ccc(/C=C/C(=O)O)cc2)sc1C	1777489491	YLSNFUGDVRSLLR-WESQECEQSA-N	310.378	3.922	50	20	DHGD	
Cc1ccc(N(C)S(=O)(=O)c2ccc(CCCl)cc2)cc1	50010822	UNLVHLKZUAXXQX-UHFFFAOYSA-N	323.845	3.601	50	20	DHGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)oc2ccc(Cl)cc12	69903737	UVHTUNRHMOIZAX-UHFFFAOYSA-N	324.764	3.564	50	20	DHGD	
Cc1nn(C)c(NC(=O)CCCC[C@H]2CCSS2)c1C	106853138	AQFXUJLBBQLSOS-LBPRGKRZSA-N	313.492	3.690	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)c1cccc(F)c1	118972542	YKFPYWUCMZECCE-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)C1(c2cccc(F)c2)CC1	120178362	OTYTYUSPKNINES-UHFFFAOYSA-N	324.399	3.879	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1ccc(Cl)cc1	120355753	OSWDNLAZGZTQKA-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
COc1ccc2oc(C)c(C(=O)NNc3cccc(C)c3)c2c1	120883521	PQIZYAUQRBNXKY-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)C(=O)c1ccc(Cl)s1	122040603	YPTUUPRIQWPJMS-DAXSKMNVSA-N	312.181	3.578	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc(Cl)c(Cl)[nH]1	130734963	UMIMLTRTUBHNCZ-UHFFFAOYSA-N	322.554	3.871	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(-c2nc(C)cs2)cc1	159313780	LFQGOCIKKBKJDG-LCYFTJDESA-N	313.382	3.501	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ncccc2Cl)cc1	175236474	WQGGBCHKKIWEMT-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2ccccc2F)cc1	179944923	WSYLTEBVBIRGSL-UHFFFAOYSA-N	303.337	3.763	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc2ccc(C)cc2nc1Cl	212031911	SMBXQKKAMZJTBM-ZROIWOOFSA-N	312.756	3.833	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@@H]1CCCC(F)(F)C1	282477999	MCZHWRSMRMPSRC-LLVKDONJSA-N	305.328	3.503	50	20	DHGD	
N#C/C(=C\c1ccc2occc2c1)C(=O)NCc1ccccc1	490942592	OXEGKEZCGLHDIN-GZTJUZNOSA-N	302.333	3.656	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)[C@@H](C)CC)cc1OCC	726430798	YUMFKLKBOPYISC-HNDQUVLASA-N	311.381	3.619	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1nc(-c2ccccc2)no1	735273560	WLJSDURSBBMSFL-CYBMUJFWSA-N	316.405	3.786	50	20	DHGD	
Cc1cccc(CC(=NNC(=O)c2ccc(C#N)cc2)C2CC2)c1	736431234	ZCSVKKMVKWEIBG-UHFFFAOYSA-N	317.392	3.605	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)[C@@H](CC(C)C)c1ccccc1	740814379	SLDMCOKUDSBOML-SFHVURJKSA-N	324.424	3.586	50	20	DHGD	
Cc1ccccc1C1CC(=NNC(=O)c2ccc(C#N)cc2)C1	743437507	WAQCHJMGZZOCRS-UHFFFAOYSA-N	303.365	3.530	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	747608884	CIMFPEOKICSABQ-UHFFFAOYSA-N	312.266	3.910	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1oc(C(C)C)nc1C#N	747906809	BRVKMCVITPPETQ-UHFFFAOYSA-N	306.410	3.719	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cccc(C#N)c2)cc1Cl	748033814	GCLOGQCHLFRSNO-UHFFFAOYSA-N	313.788	3.596	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1cc2cc(C)c(C)cc2o1	749816196	YGJZVFUUCRCMSD-UHFFFAOYSA-N	322.364	3.822	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1ccc(CN(CC)CC)o1	750937488	TZVGPIZFPHBJNZ-UHFFFAOYSA-N	305.422	3.583	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)cc1	756765796	HFSNLRPWPAMYPX-RRFJBIMHSA-N	302.418	3.745	50	20	DHGD	
O=C(NN=C1CCCc2c1sc1ccccc21)c1ccc[nH]1	763150627	WLCYVMXENDGNKU-UHFFFAOYSA-N	309.394	3.700	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1occc1-c1ccccc1	772860548	SICVSZIZVVAXNE-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)c1cccc(N(C)C)c1	774333402	DFTCPNRGSCWGNA-UHFFFAOYSA-N	315.339	3.591	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@H]1CCc2c(Cl)cccc21	776232108	RSETYYVOPBPEEM-LBPRGKRZSA-N	322.195	3.562	50	20	DHGD	
N#C/C(=C/c1cccc(Br)n1)C(=O)c1ccccc1	777913551	WIYSKZRLNIDGEA-XFXZXTDPSA-N	313.154	3.634	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1cccc(Cl)c1OCC	779754002	ZMHHWZXVOHBWAL-JLHYYAGUSA-N	306.793	3.562	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cc(-c3ccccc3)[nH]n2)[C@H](C)C1	783790499	HJQZXNTVYJDVPH-QWHCGFSZSA-N	310.401	3.619	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)o1	783855811	SCKVPOWSFGUEJZ-UHFFFAOYSA-N	302.761	3.905	50	20	DHGD	
O=C(NNc1ccccn1)c1ccccc1NC1CCCCC1	795240070	XYPIWURSUPCDAY-UHFFFAOYSA-N	310.401	3.583	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1nccnc1C1CCC1	805469115	MVHTWOJSXOMAHQ-UHFFFAOYSA-N	302.422	3.548	50	20	DHGD	
CO[C@@]1(C)CCCN(CCO[Si](C)(C)C(C)(C)C)CC1	808755998	UHIUYGPGLAGGQY-INIZCTEOSA-N	301.547	3.899	50	20	DHGD	
N#C/C(=C\c1cscc1C(F)(F)F)C(=O)C1CCOCC1	811691300	NIZQRSLERRFYEL-BJMVGYQFSA-N	315.316	3.670	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=CCC2CCCCC2)cc1	814856285	GUEYBRIKTGFAPM-UHFFFAOYSA-N	302.422	3.830	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1ccc(Cl)cc1F	814862610	NUVYEJZDRAWBCU-GFCCVEGCSA-N	321.783	3.915	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(O)cc1F	815005223	VFFFYQKZYNEYRF-UHFFFAOYSA-N	321.739	3.730	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2CCC[C@@H]2c2ccccc2)cc1	825731692	JEFPRTBQLZUQKC-MSOLQXFVSA-N	310.397	3.722	50	20	DHGD	
COc1cccc(C(=O)NNc2cccc3c2CCCC3)c1C	830801926	QMCGOKRBSNTLAL-UHFFFAOYSA-N	310.397	3.639	50	20	DHGD	
N#Cc1ccc(NNC(=O)CC2(C#N)CCCCC2)cc1Cl	832119252	DMRNEQZVYPHBPO-UHFFFAOYSA-N	316.792	3.519	50	20	DHGD	
Cc1cnc(C=NNC(=O)c2cc3c(s2)CCCCC3)s1	834934923	KXKAVCKRPQVOKJ-UHFFFAOYSA-N	319.455	3.546	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccnc(OC(C)C)c1	836934175	QGHIWCUJGIYFMZ-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccn(C3CCCC3)n2)c(Cl)c1	836937886	QAFZFNSXVCXNIL-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)Cc1ccc(C#N)cc1	848036287	JOYUFXZMWZIVLA-OAHLLOKOSA-N	321.424	3.751	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC([C@@H]2CCCCO2)CC1	852594131	LWJKPHIXCBMOFB-YSLLPBIDSA-N	314.404	3.971	50	20	DHGD	
O=C(NN=C1CCC(=C2CCC2)CC1)c1ccc(Cl)nc1	853294543	UVWLKJHGODZBHV-UHFFFAOYSA-N	303.793	3.875	50	20	DHGD	
CSc1ccc(CNC[C@]2(C)C[C@@H]2Br)s1	856809019	IIZHAJMVVJNRGE-ONGXEEELSA-N	306.294	3.733	50	20	DHGD	
Cc1ccc(NC(=O)NC[C@]2(C)C[C@@H]2Br)cc1C	856810897	AMRJQXUJUQKXJK-JSGCOSHPSA-N	311.223	3.598	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NC[C@@]2(C)C[C@H]2Br)c1	857393887	JHASIHLNDOFOAN-GDBMZVCRSA-N	324.262	3.526	50	20	DHGD	
C[C@H](CCC(=O)NC[C@@]1(C)C[C@@H]1Br)c1ccccc1	857394427	RDSNDZSQBSYQAN-IVMMDQJWSA-N	324.262	3.860	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CSCc1cccs1	1116343796	KTAGWYKUUSHDEZ-UHFFFAOYSA-N	310.419	3.572	50	20	DHGD	
CCn1nc(NC(=O)c2cccc(CCl)c2)cc1C1CC1	1262613130	VZEYDNOPFFYLNU-UHFFFAOYSA-N	303.793	3.772	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)c1ccccc1Cl	1319588826	UVJNRMQOIOZIJF-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc3ccccc3n2C)ccc1F	1322987009	XTJHCTKIDJMRPH-LCYFTJDESA-N	307.328	3.785	50	20	DHGD	
Cc1ccc(Cl)cc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	59133157	HCWBBISARFRVTJ-JYRVWZFOSA-N	312.756	3.900	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(Br)c2)cc1	127192735	VHFCUXAQELUTOA-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
Cc1cccc(C(=O)NNc2ncc(Cl)cc2Cl)c1F	132890518	MVTNDQKOEXAUFI-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ccncc2Cl)c(C)s1	154553630	NTQVUYNJILRBKR-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1	173014988	FPIRRVRJDQBUET-GZTJUZNOSA-N	306.365	3.687	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc1	173018115	SWWQTOFEJZHXSL-SFQUDFHCSA-N	312.413	3.531	50	20	DHGD	
Cc1ccnc(NNC(=O)C(C)(C)c2ccc(Cl)cc2F)c1	188156232	QGFXGRXOXKWCNZ-UHFFFAOYSA-N	321.783	3.603	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccc([C@@H]2C[C@@H]2C)o1	228980042	BMFXPTWLNORZHH-KDGSRYBXSA-N	322.364	3.957	50	20	DHGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H]1CCCC[C@H]1C	588605820	MUYVNBVBJZTIIG-AWWQTPIYSA-N	312.413	3.726	50	20	DHGD	
CC(C)CCC[C@@H](C)NC(=O)NNc1cc(F)c(F)cc1F	734652971	WVXCCUQITLNYMN-SNVBAGLBSA-N	317.355	3.945	50	20	DHGD	
Cc1cc(C)c(CNC(=O)NNc2c(F)cccc2F)c(C)c1	735755224	OUOZWJXSYWEQSS-UHFFFAOYSA-N	319.355	3.716	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCCCC(C)(C)C)cc1	739780028	FXCBTEXJUWBPAY-DTQAZKPQSA-N	314.429	3.935	50	20	DHGD	
O=C(NN=Cc1csc(C2CC2)n1)c1cccc2ccccc12	741463069	XBIYBDNGZYWFLN-UHFFFAOYSA-N	321.405	3.938	50	20	DHGD	
CCOC(=O)NN=C(C)c1ccc(SCC(F)(F)F)cc1	741756351	FHQJUQZSXGLEST-UHFFFAOYSA-N	320.336	3.811	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)NNc2ccccc2C(F)(F)F)o1	742516857	OAPBYLKAQLXLCE-SNVBAGLBSA-N	312.291	3.854	50	20	DHGD	
CC(Cc1ccccc1C)=NNC(=O)c1cc(Cl)ccc1O	743432661	OXXOSSNXGPAUOQ-UHFFFAOYSA-N	316.788	3.702	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2ccc(Cl)c(F)c2)cc1	746701196	IFXQRSARNFHXLG-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
O=C(NN=Cc1c(F)cccc1F)c1ccc(Cl)cc1F	747643859	RVSNFBUBQPDDQI-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1cccc(N(C)C)c1	748244688	PGAPSVYESDMNDZ-CYBMUJFWSA-N	301.434	3.685	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNc1cc(Cl)nc(C)n1	748336308	VRNTWPPBEKNMCR-LLVKDONJSA-N	312.845	3.878	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)COc1cccc(C(C)C)c1	748571145	VMXCWWNEEKWLNI-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
COc1ccc(C)cc1CC(=O)NNc1cccc2c1CCCC2	748580365	AKULOFFSCQDEAR-UHFFFAOYSA-N	324.424	3.568	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)CC	748725924	SJFKVQOIHJPHNQ-ZVBUZHGDSA-N	309.753	3.604	50	20	DHGD	
Cc1cccc2ncc(/C=C(\C#N)c3nc4ccccc4n3C)n12	748994207	KGAORDDVBFOFBD-GXDHUFHOSA-N	313.364	3.594	50	20	DHGD	
CN(Cc1ccccc1)[C@H]1CCN(/C(=C\C#N)c2ccccc2)C1	750801398	ZTIAQUXXJUBDDG-AYBCGVOZSA-N	317.436	3.757	50	20	DHGD	
COc1csc(C(=O)NNc2cc(Cl)ccc2Cl)c1	752810524	JGWRTFUFEROMIL-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1[C@H]2CCC[C@H]12	753169877	MPKQRWKUJSZJJD-RYUDHWBXSA-N	323.234	3.501	50	20	DHGD	
CCCC1CCC(C=NNC(=O)Cc2nc(C)cs2)CC1	755612396	LJAOCKTZPXDIIH-UHFFFAOYSA-N	307.463	3.703	50	20	DHGD	
CC(C)OCc1ccc(NC(=O)NNc2cccc(C#N)c2)cc1	769983628	QZLYUQIFKANGSJ-UHFFFAOYSA-N	324.384	3.632	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nccnc2C(C)C)cc1Cl	770076206	MZXHNNWLEDJLMF-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
C[C@H](CBr)COC(=O)CCn1ccc2ccccc21	770332036	YHFDVKHPLJOBQQ-GFCCVEGCSA-N	324.218	3.606	50	20	DHGD	
C[C@@H](CBr)CN1CCc2cccc(F)c2[C@H]1C	770651717	CLCZZTBPJAJEHC-WDEREUQCSA-N	300.215	3.776	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)C2CCCC2)c1OC(F)F	781555135	ZGZBEVBNUJLSDA-LCYFTJDESA-N	321.323	3.963	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1=CCCCC1	783707335	YNNHNZQIPZKCSG-UHFFFAOYSA-N	323.234	3.955	50	20	DHGD	
Cc1ccc2nc(/C=C(/C#N)C(=O)c3cc(F)cc(F)c3)cn2c1	789149410	YIQBZUTVSWWSIW-MLPAPPSSSA-N	323.302	3.711	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CC(C)(C)c2ccccc21	790875328	IQHPRZYHNWKRRG-ZDUSSCGKSA-N	310.488	3.719	50	20	DHGD	
CC[C@H](NC(=O)NCCSSC)c1cc(F)ccc1F	790881230	VQFPTFJQVGDTAB-LBPRGKRZSA-N	320.430	3.726	50	20	DHGD	
Cn1cnc(/C=C(\C#N)C(=O)c2c(Cl)cccc2Cl)c1	800793054	GTGVMHJDNHBAFH-WEVVVXLNSA-N	306.152	3.517	50	20	DHGD	
C[C@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@H]1CCCF	800808046	LWLRWMOOZFRHQT-STQMWFEESA-N	324.371	3.615	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H](C)CCC(C)(C)C	805382115	NLHAIHQGUOFGMS-LLVKDONJSA-N	307.394	3.809	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](C)C[C@@H]1c1ccco1	807229306	ULRKTXSSMPUWII-VXGBXAGGSA-N	314.476	3.773	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)s1	812245274	POTMXLMGPSYBTI-YHYXMXQVSA-N	300.343	3.634	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2ncc(Cl)s2)cc1	814741887	SYIVOOUSPBGMPM-UHFFFAOYSA-N	321.833	3.858	50	20	DHGD	
CN(c1ccccc1)c1ccc(C=NNC(=O)CC2CC2)cc1	814987658	XKYCQYXCALWQRX-UHFFFAOYSA-N	307.397	3.705	50	20	DHGD	
CC(C)COc1cccc(C(=O)N(C)CC(Cl)Cl)c1	816628276	OEWLOMLVWCVJJF-UHFFFAOYSA-N	304.217	3.597	50	20	DHGD	
C[C@H](CC(=O)NNc1cccc(Cl)n1)c1ccccc1F	817007930	WEUOOOHINICPGR-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1ccc(Cl)cc1Cl	828525648	WZBYFQRLUOVZKZ-GMSGAONNSA-N	320.245	3.514	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccn(C(C)C)n2)c(Cl)c1	836589181	YFTYPWVEWLFIDV-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCCC(F)(F)C1	836936627	POGOOLFAGWBXFY-JTQLQIEISA-N	302.752	3.917	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cc(F)cc(Cl)c1)c1cccnc1	855620390	SDIYSFDRZHNVMW-OAHLLOKOSA-N	321.783	3.757	50	20	DHGD	
Cc1cnc([C@H](C)NC[C@@H](CBr)C2CC2)s1	859249666	ITWMXWNKXHQBIE-GXSJLCMTSA-N	303.269	3.523	50	20	DHGD	
C#CCCCC(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	891549382	PZVTZIPCMMISDU-OAHLLOKOSA-N	309.526	3.803	50	20	DHGD	
C[C@@H](NC(=O)[C@@]1(C)C[C@@H]1Br)c1cc2ccccc2o1	907634293	KWHSBFMJWFXZHH-DVJZZOLTSA-N	322.202	3.784	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCCC[C@H]2C)c1C	916337089	YOBZSTZKBRYNRR-UKRRQHHQSA-N	302.418	3.753	50	20	DHGD	
Cc1ccc(O)c2c1[C@@H](C)CC2=NNC(=O)CCc1ccccc1	1318152478	UMYOGUYEEDHWPK-AWEZNQCLSA-N	322.408	3.661	50	20	DHGD	
N#C/C(=C/c1cc(F)cc(F)c1)c1nc(N)c2ccccc2n1	1320193974	RWNCMQJZNCSSGC-WZUFQYTHSA-N	308.291	3.554	50	20	DHGD	
CC(C)CCn1cccc1C=NNC(=O)c1ccccc1Cl	1335768308	NNIJHKQBFRREFE-UHFFFAOYSA-N	317.820	3.952	50	20	DHGD	
O=C(NC1CCC2(CCOCC2)CC1)c1cccc(CCl)c1	1346894535	DRFROYXADHYEJX-UHFFFAOYSA-N	321.848	3.895	50	20	DHGD	
Cc1nnc(-c2cccc(NC(=O)C3CCC(Cl)CC3)c2)o1	1527870349	CKHXFLBMWPKUSM-UHFFFAOYSA-N	319.792	3.781	50	20	DHGD	
CC(CCC(F)F)=NNC(=O)[C@@H]1CCCO[C@@H]1c1ccccc1	1549905026	PHCAMVKHRPGHHB-GDBMZVCRSA-N	324.371	3.692	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)c(C)o2)cc1C	1600328242	WISVBAVRNKWPOF-VGOFMYFVSA-N	309.321	3.693	50	20	DHGD	
Cc1ccc(NC(=O)c2cccc(CCl)c2)c(C(=O)O)c1	1607806095	VIDJCVDEIXHFTI-UHFFFAOYSA-N	303.745	3.684	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)c(OC)c1	33377461	PPZIATBCGZIPFZ-UVTDQMKNSA-N	319.364	3.655	50	20	DHGD	
CSc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	41674365	XNMBMDDAHXTVBJ-UKTHLTGXSA-N	310.378	3.660	50	20	DHGD	
COC[C@H](C)O[C@@H](CBr)c1ccc(Cl)cc1	69735666	ZPPSXIUCFIYFLL-CABZTGNLSA-N	307.615	3.828	50	20	DHGD	
COc1ccc(C)cc1NC(=O)NNc1ccccc1Cl	91985293	MEZZVMIFIIXKEM-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1cccc(Cl)c1F	91991006	CMTROYDRALAPFR-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1cccnc1Cl	119397723	VZRQNBNNBNINOV-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
Cc1cccc(NC(=O)NNc2cccc(C(F)(F)F)c2)n1	122159987	GRQTWBCDUCWDBN-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(-c2ccccc2)nn1)C(C)C	153054233	XXUGOAWIEUCGRB-OAHLLOKOSA-N	312.417	3.659	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NNc1cccc(F)c1	154617481	ZBGGRTULZYXSII-CYBMUJFWSA-N	314.451	3.983	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1c(-c2ccccc2)nn(C)c1Cl	172213745	BBYGWVKBGIZNPF-UKTHLTGXSA-N	313.788	3.873	50	20	DHGD	
CS[C@H]1CCC[C@H](NC(=O)NNc2ccccc2Cl)C1	172341028	QXBYLZMAXCHXSH-QWRGUYRKSA-N	313.854	3.640	50	20	DHGD	
Cc1nc(C)c(C(=O)NN(Cc2ccccc2)c2ccccc2)o1	174214761	MGELROPGPSBHFH-UHFFFAOYSA-N	321.380	3.643	50	20	DHGD	
CN(Cc1nc2ccccc2n1C)/C(=C/C#N)c1ccc(F)cc1	177207193	MQRBDTQZYZCSCX-GZTJUZNOSA-N	320.371	3.709	50	20	DHGD	
CN1CCc2cc(/C=C(\C#N)C(=O)c3cc(F)cc(F)c3)ccc21	194536723	YJWSLJBXUOVTQX-VIZOYTHASA-N	324.330	3.747	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)[C@@H](Br)C(C)(C)C)cc1	196537636	GZDVCZUBQLIICW-WCQYABFASA-N	312.251	3.982	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(OC)c2)ccc1O	212138964	RTBBQWNTKNISEA-DHDCSXOGSA-N	323.348	3.589	50	20	DHGD	
CCC(=NNC(=O)c1cccnc1)C12CC3CC(CC(C3)C1)C2	252629529	UIKFFEQERLDHHB-UHFFFAOYSA-N	311.429	3.794	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2O)cc1	255734837	QEHJWAWJYPTMJL-PTNGSMBKSA-N	322.364	3.645	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1oc(C(C)C)nc1C	293771908	ZZJSDKHIXJJHCU-UHFFFAOYSA-N	301.390	3.734	50	20	DHGD	
CN(NC(=O)CCCC[C@H]1CCSS1)c1ccccc1	726544285	VBEPJYULIGBARD-AWEZNQCLSA-N	310.488	3.868	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1occc1Br	735305841	XUTOUDOJTKUBBZ-RMKNXTFCSA-N	306.115	3.733	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cnn(C(C)C)c2)c(Cl)c1	741765645	IZKQAPCEIMYKRT-UHFFFAOYSA-N	319.796	3.581	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(Br)c(C)c1	746391882	DCKNFRPDBHVPCX-UKTHLTGXSA-N	321.218	3.581	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccc(Br)c2)C[C@@H](C)C1	747763144	AIAGQNFVGQTVDG-QWRGUYRKSA-N	323.234	3.991	50	20	DHGD	
CCC1(CC)CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752538363	JYMRAMLOOSEAMF-PTNGSMBKSA-N	300.377	3.771	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1)c1c(F)cccc1Cl	753016609	JVTOBCTWFQAYSQ-SNVBAGLBSA-N	307.756	3.866	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C\c1csc(Cl)c1Cl	761393582	RUIBEWKTOVJIRU-UGWYQVJNSA-N	320.197	3.540	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)[C@@H]2CCCC[C@@H]12	768426481	BNCJPHAFMRLWGI-XQHKEYJVSA-N	316.283	3.833	50	20	DHGD	
C[C@@H](CBr)CN1CC[C@@H](Cc2ccc(F)cc2)C1	770653054	LXPVOPOEZZUOMU-JSGCOSHPSA-N	314.242	3.721	50	20	DHGD	
C[C@@H]1CCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	771462883	LCDLXAYDLBHCGI-BLKYOUMYSA-N	311.385	3.971	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cnccc1C	771559620	IEIYOKXNHCOMSH-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(OC(C)C)cc1	771713851	UFTRQCXJWHTPEC-UHFFFAOYSA-N	302.349	3.678	50	20	DHGD	
CC[C@](C)(NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	787337352	KCGXDTQKKXMRQU-JDQHYLEWSA-N	320.392	3.741	50	20	DHGD	
COc1cc(NNC(=O)Nc2cccc(C)c2F)ccc1Cl	788657425	KNJVYPWGVHOYTA-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2F)cn1	790098421	ALUHSDCNAWZGRE-XNTDXEJSSA-N	323.371	3.855	50	20	DHGD	
COc1cc(NNC(=O)c2ccc3c(c2)CCC3)ccc1Cl	790171858	NCRIIVUJZHHXFT-UHFFFAOYSA-N	316.788	3.594	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNC(=S)Nc1ccccc1C(C)C	792489755	DPOVWYZMJMVDOU-SEYXRHQNSA-N	319.474	3.874	50	20	DHGD	
N#CC(C#N)=CNc1cc(F)c(Br)c(Cl)c1	794736281	NGCDOWXDPGSJOD-UHFFFAOYSA-N	300.518	3.585	50	20	DHGD	
CCCN(N=C1CCc2ccc(OC)cc21)C(=O)OC(C)(C)C	794997621	BFGUZGPIKLUCAO-UHFFFAOYSA-N	318.417	3.993	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(C)cc1	810216254	GXVRWJODAYFDIX-LFIBNONCSA-N	322.412	3.599	50	20	DHGD	
CO[C@H]1CCC[C@@H]1CNCc1ccc(OCCCCl)cc1	811486857	QMAYRRIHDFBKEU-WBVHZDCISA-N	311.853	3.599	50	20	DHGD	
Cc1ccc2sc(C(=O)NNc3cccc(F)n3)cc2c1	811525934	OLTBLEDETJMBGT-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2cccc(Cl)c2)c(C(F)F)n1	812241043	BBPDEELGKYKPLU-YHYXMXQVSA-N	321.714	3.801	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCCC[C@@H]1CCCO)c1ccccc1	814845803	WHHCRLRBCXPYCB-IAGOWNOFSA-N	316.445	3.615	50	20	DHGD	
CCC(=NNC(=O)c1cc2ccccc2o1)c1ccc(F)cn1	814867202	UKVTZEACDRNYAJ-UHFFFAOYSA-N	311.316	3.511	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3cccc(F)c3)c2c1	815851707	QTNBKNSFAUWFJZ-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC(C)O[C@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	815852347	QWXAZIZJGQUIDF-INIZCTEOSA-N	320.339	3.574	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C(C)(C)C1CCCC1	816486701	OJMFZOAHLINBSA-UHFFFAOYSA-N	324.856	3.913	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H](C)CC1CCCC1	816486933	XVWLMNSTDZFXBM-LLVKDONJSA-N	324.856	3.913	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)OCCCCO2)C(=O)C1CCCC1	834434100	AFHYMHNPSJMSSG-LFIBNONCSA-N	311.381	3.904	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc(N(C)C)c(F)c2)cc1	837056996	UUCSZGQBIXZQOB-UHFFFAOYSA-N	315.392	3.772	50	20	DHGD	
Cc1ccc(CNCc2ccc(OCCCCl)cc2)nc1C	839164981	IVPLXAOQMUULRW-UHFFFAOYSA-N	318.848	3.996	50	20	DHGD	
Cc1c(C(=O)NCC(Cl)Cl)[nH]c2c(Cl)cccc12	840458857	LDUJBLGPDIIZIS-UHFFFAOYSA-N	305.592	3.663	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccnn2CC(C)C)c1	843265885	QHZADWPKCMYUAP-YVLHZVERSA-N	307.397	3.946	50	20	DHGD	
COC[C@@H](C)Oc1ccc(/C=C(/C#N)c2nc(C)cs2)cc1	853002891	YIJRXTRJFDAPQA-ATDKOCKZSA-N	314.410	3.929	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2CCCC[C@@H]2c2ccccc2)n1	862519564	KFQNBILHHABMJW-IAGOWNOFSA-N	309.413	3.807	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)Cc1csc(C)n1	863070196	WBEMCMSRUNCFPV-UHFFFAOYSA-N	315.442	3.509	50	20	DHGD	
Cc1csc(C(=O)NN=CC2([C@H]3CCCCO3)CCC2)c1	872392511	NNCYFOKLROZQQE-CQSZACIVSA-N	306.431	3.512	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@H]1CCCCCC(=O)C1	885127705	WJQMXZAWPIQAIJ-LBPRGKRZSA-N	308.809	3.631	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cn(C)nc2C2CC2)c1C	899343762	CNPYROPKRYTSNF-DHDCSXOGSA-N	305.381	3.704	50	20	DHGD	
Cc1cc(C=NNC(=O)C2CCCC2)cc(C)c1OC(F)F	914835996	ZXXZFFHBGOQFRU-UHFFFAOYSA-N	310.344	3.545	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)c1ccc(C)s1	917022114	ADABOMLDKBLZGI-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
Cc1ccc(OS(=O)(=O)c2ccc(CCCl)cc2)cc1C	917842436	QBZWNIJQGRERHA-UHFFFAOYSA-N	324.829	3.852	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2ccc(C)c(Cl)c2)cc1	1317807186	AXWJAUAUBGATCI-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
N#C/C(=C\c1ccc2ncccc2c1)c1nc(N)c2ccccc2n1	1317847653	NGUZNQGVJHCTCZ-RVDMUPIBSA-N	323.359	3.824	50	20	DHGD	
Cc1csc(-c2nnc(-c3c(C)nn(CCCl)c3C)o2)c1	1348493056	MKBTYCKFEIINHY-UHFFFAOYSA-N	322.821	3.826	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)co2)cc1	1776127001	DQOCXEKSCJNDQU-ZSOIEALJSA-N	309.321	3.720	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(OC)c1	5747895	SYZUDTOCABDAPD-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
Cc1cc2occ(CC(=O)NNc3ccc(F)cc3)c2cc1C	45970734	QLPPZFNEEXFWLA-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
CCc1cccc(NC(=O)c2c(C)nn(CCCl)c2C)c1	114113392	SKJATQVHNLJDHU-UHFFFAOYSA-N	305.809	3.553	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1cc(Cl)ccc1Cl	114885085	DMSOHOSPCDJHGL-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CCSc2c(F)cccc21	114931753	QQYBWBJTHJMWFQ-CQSZACIVSA-N	317.389	3.689	50	20	DHGD	
Cc1cc(C)cc(-c2ccc(/C=C(/C#N)S(C)(=O)=O)cc2)c1	125308144	QVSIAVMJKHKISY-WQRHYEAKSA-N	311.406	3.880	50	20	DHGD	
N#C/C(=C\c1cccc(-c2cccnc2)c1)C(=O)NC1CCCC1	127730155	PBNJOMSOOIUPGF-LDADJPATSA-N	317.392	3.714	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)nc2C)cc1	130653244	DSOQBMYYPKHYNK-WJDWOHSUSA-N	321.380	3.643	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2c[nH]c3c(C)cccc23)c1	150764529	NCOLBXUZPZRXQA-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc2[nH]c3c(c2c1)CCCC3	152872551	YHXPPJOZGRWLLS-UHFFFAOYSA-N	323.371	3.943	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)NNc2ccc(F)cc2)s1	153387002	IXRUJXBPYIQRKP-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
CC(=O)c1ccc(C(=O)NNc2ccc(Cl)cc2Cl)cc1	178873796	MKXFTJQDAWMYFY-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
CC[C@@H](C)Oc1cc(C(=O)NNc2cc(C)ccc2C)ccn1	180786401	YRRUVNICHVQCSV-CQSZACIVSA-N	313.401	3.633	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NNc1ccc2ccccc2n1	181094147	WEOHTCAXJAHOKY-UHFFFAOYSA-N	319.408	3.947	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cc1	191361010	UGQCNTOBQLJVNQ-XNTDXEJSSA-N	314.348	3.652	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(O)ccc2C(F)(F)F)c1	193637873	ULHPVUQMPZPGGC-UHFFFAOYSA-N	324.302	3.785	50	20	DHGD	
COc1ccccc1[C@H]1CCN(C[C@H](C)CBr)C1	274438287	AXGQJMJBVFHHDL-OLZOCXBDSA-N	312.251	3.516	50	20	DHGD	
COc1ccccc1C1(C(=O)N2CC=C(C#N)CC2)CCCCC1	294707601	WJRIVXFTWOLDIH-UHFFFAOYSA-N	324.424	3.579	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccc(C#N)cc1F	490783044	NFNNHMGBPNYHNW-CXUHLZMHSA-N	319.339	3.860	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cccc(OC(F)(F)F)c1	727971405	WYANPSWMCIWZQC-UHFFFAOYSA-N	322.286	3.658	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)Cn1ccc2ccccc21	729638115	AYPUUHMGMGTICS-UHFFFAOYSA-N	319.408	3.766	50	20	DHGD	
COc1ccccc1C/C(C)=C/C(=O)NNc1cc(C)cc(C)c1	748380559	PPMJFHWSOPIABJ-DTQAZKPQSA-N	324.424	3.944	50	20	DHGD	
Cc1c(NNC(=O)[C@@H](C)CC2CCCC2)cccc1[N+](=O)[O-]	748684520	CZJLATHXDRKEQX-NSHDSACASA-N	305.378	3.563	50	20	DHGD	
CC(C)C[C@@H](C)OCCC(=O)NNc1ccc(Cl)c(F)c1	755832251	CMIGNVXMZBFFRZ-LLVKDONJSA-N	316.804	3.764	50	20	DHGD	
CC1(C)CCCCC1=NNC(=O)c1cccc(OC(F)F)c1	757574743	LPWBCCMQYBXLGI-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
CCCCCC(C)=NNC(=O)c1cc(-c2cccs2)[nH]n1	764785471	FVCOLZPBBQXENR-UHFFFAOYSA-N	304.419	3.824	50	20	DHGD	
Cc1n[nH]cc1C(=O)NN=C1CCC(C2CCCCC2)CC1	766450483	KHMCWKNZVOBLJC-UHFFFAOYSA-N	302.422	3.574	50	20	DHGD	
C[C@H](CBr)COC(=O)CCSc1ccccc1	770306705	LBMKHDSVLTXXOH-LLVKDONJSA-N	317.248	3.743	50	20	DHGD	
CC[C@@H](C)[C@@H](NC(=O)NNc1cccc(Cl)c1)C(F)(F)F	772528248	ZFLQBOFFQQNXMP-LDYMZIIASA-N	323.746	3.943	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)CC1CCC(C)(C)CC1	772842976	BPFIQJGYMQSXGL-UHFFFAOYSA-N	304.438	3.650	50	20	DHGD	
Cc1ccccc1-c1nc(C)c(C(=O)NNc2ccccn2)s1	775890898	HGZHAUOLEGGKGW-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Nc1ccc(C(=O)NN=C2CC(c3ccc(Cl)cc3)C2)cc1	783785533	ZKTZRTYKACQFEW-UHFFFAOYSA-N	313.788	3.586	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1c(F)cccc1Cl	785634871	ODNFXLHPKVSBFN-UHFFFAOYSA-N	306.768	3.727	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\C1CC1)c1ccccc1Br	786680139	VNENXDWQIQRORR-BKLZJWBFSA-N	320.186	3.913	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)Cc1cccnc1	788853901	JQJCJRJSTYXPBR-UHFFFAOYSA-N	304.821	3.721	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C1CCC(C(F)F)CC1	799472100	OJIXAVAIVALFEY-UHFFFAOYSA-N	314.763	3.810	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccnc2ccccc12	799756816	LWCQMPGYLUBUDD-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CCSc1cccc(F)c1NC(=O)NNc1cccc(F)n1	810329421	APZSZKIJZCKHFS-UHFFFAOYSA-N	324.356	3.620	50	20	DHGD	
Oc1ccc(CNCc2ccc(OCCCCl)cc2)cc1	811477323	MNTFUTWUUGMJKO-UHFFFAOYSA-N	305.805	3.690	50	20	DHGD	
ClCCCOc1ccc(CNc2ccc3nn[nH]c3c2)cc1	811484059	OUWOHKKGNIEKOW-UHFFFAOYSA-N	316.792	3.578	50	20	DHGD	
Fc1cccnc1CNCc1ccc(OCCCCl)cc1	811485165	XPHBLTJUVRZPPV-UHFFFAOYSA-N	308.784	3.518	50	20	DHGD	
CC(C)(C)[C@H]1CC(=NNC(=O)c2cc3c(s2)CCC3)CS1	814738837	PPYQUPHWXIDWPQ-CQSZACIVSA-N	322.499	3.874	50	20	DHGD	
O=C(NN=C1C[C@H]2CC[C@H]1C2)c1ccc(COc2ccccc2)o1	814762267	UKXCRQLGUWTERN-KBPBESRZSA-N	324.380	3.764	50	20	DHGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	828822220	FHVZZUDFZDYUOZ-PWSUYJOCSA-N	315.339	3.760	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)Cc1ccc(C#N)cc1	848036286	JOYUFXZMWZIVLA-HNNXBMFYSA-N	321.424	3.751	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3c(C4CC4)cnn3C)[nH]c12	849245218	PQSNJTLATFICSW-JYRVWZFOSA-N	303.369	3.546	50	20	DHGD	
CN1CCC[C@@H]1CCN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852524350	JVBDFAJHSDUYTI-CVEARBPZSA-N	312.574	3.567	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cccc2c1OCC2(C)C	855370354	WDKLWOCNAYQLNH-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
C[C@@H](NC[C@@H](CBr)C1CC1)c1cccc(C#N)c1	859231624	LMYXHXQPSRMMIR-IAQYHMDHSA-N	307.235	3.630	50	20	DHGD	
Cc1cc(O)cc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c1	863620055	SPDBSUIGAORKRW-VZJVUDMVSA-N	324.218	3.593	50	20	DHGD	
CC[C@H](C#N)C(=O)N1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	897967987	CFTPKXNHEPJJGJ-ZIAGYGMSSA-N	310.514	3.549	50	20	DHGD	
CCOc1ccc(NC(=O)[C@@]2(C)C[C@H]2Br)c(C)c1	906341825	PJLJPQZFOCKADY-OCCSQVGLSA-N	312.207	3.506	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)C2CCCC2)c2ccccc12	914835838	WANXQEPKSOKGAR-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
CC(CCc1ccc(C)cc1)=NNC(=O)c1cccc(N(C)C)c1	920365691	ZTLOZWIJMKLNRH-UHFFFAOYSA-N	323.440	3.800	50	20	DHGD	
Cc1cc(NNC(=O)c2cn(C(C)(C)C)nc2C)ccc1Cl	928340199	UBIKQIRLFCEFMW-UHFFFAOYSA-N	320.824	3.665	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(c2cccc(F)c2)CCCC1	66282082	KYUDMHDSSGZXAV-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@H]1c1c(F)cccc1F	120096437	JOCVCIIJOZTCJT-NEPJUHHUSA-N	322.742	3.865	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2cccc3c2CCCC3)no1	120183122	RRIOEHCTNFOWBP-UHFFFAOYSA-N	313.401	3.608	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2c(F)cc(Cl)cc2F)cc1	121190127	GHYHYIDYYAXLDF-UHFFFAOYSA-N	322.702	3.638	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cc1[N+](=O)[O-]	128929976	OIIMANBNZMYCTH-ZROIWOOFSA-N	314.341	3.660	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3cccc(C#N)c3)csc2C1	152307858	DXFHSTJASWYXPB-NSHDSACASA-N	311.410	3.501	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccccc3F)csc2C1	152860985	NVBZRVLSIXGYRU-SNVBAGLBSA-N	304.390	3.769	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)[C@H]1CCCCO1	159356865	MZHMENVUWUAETE-SNVBAGLBSA-N	323.607	3.659	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cc2cc(OC)ccc2o1	192096216	XSNUDLINMLKVNE-GDNBJRDFSA-N	319.382	3.521	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2cccc(F)c2)c1OC	194533312	XBPZVXCJSRZRLD-NTEUORMPSA-N	311.312	3.633	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)cc(C)c1O	255862548	YFWBJXWHKFNLDU-LFIBNONCSA-N	312.413	3.707	50	20	DHGD	
N#CC1=CCN(C(=O)CCc2ccc(Cl)cc2Cl)CC1	271116079	NAFBMUAYDWWLOL-UHFFFAOYSA-N	309.196	3.608	50	20	DHGD	
C#CCC1(C(=O)NNc2ccc(OC(F)F)cc2)CCCCC1	276415136	BUCQNERZIQJZQL-UHFFFAOYSA-N	322.355	3.705	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cs1)C(=O)NCc1ccccc1	491162321	RJOOMMJINFMTKL-SDQBBNPISA-N	302.786	3.625	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(\C#N)C(=O)c1ccccc1F	728439705	DVBLRPJOFSCNIH-SOFGYWHQSA-N	324.142	3.656	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2ccc(F)cc2)c(Cl)c1	741766546	WAKXZHZZJNNMGU-UHFFFAOYSA-N	305.740	3.943	50	20	DHGD	
O=C(NN=C1CCCc2ccccc21)c1cccc2cccnc12	747355786	ASPCWGFXSUPIGG-UHFFFAOYSA-N	315.376	3.705	50	20	DHGD	
C[C@@H](CCOc1ccccc1)C(=O)NNc1ccccc1Cl	748306135	DDYJBMZGAJXJNU-ZDUSSCGKSA-N	318.804	3.888	50	20	DHGD	
Cc1c(NNC(=O)c2ccc3ccccc3c2)cccc1[N+](=O)[O-]	748683497	VWBZITGFPLQEJR-UHFFFAOYSA-N	321.336	3.813	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1[C@@H]2CCC[C@@H]12	753169879	MPKQRWKUJSZJJD-VXGBXAGGSA-N	323.234	3.501	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cnc(C(C)C)s1)c1ccccc1	758368783	ADMGHFOWYVMFPJ-OAHLLOKOSA-N	315.442	3.910	50	20	DHGD	
C/C(=C\C(=O)NNc1ncccc1C(F)(F)F)C(C)(C)C	762813898	QGYNBOVQRNWHND-CMDGGOBGSA-N	301.312	3.536	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1ccc(F)cc1Cl	767782788	NVKVGPCKMIBHAJ-UHFFFAOYSA-N	318.779	3.952	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@@H]1C[C@H]1c1ccc(F)cc1	770197950	SAQKFLXQZIYKJI-NWDGAFQWSA-N	322.742	3.865	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1ncc(Cl)cc1Cl	775266389	QXDYWLCQCSCYDP-SECBINFHSA-N	304.221	3.904	50	20	DHGD	
CCn1nc(C)c(/C=C(\C#N)c2cnc3ccccc3n2)c1C	790230454	ACCUMJIAEIBLLL-NTEUORMPSA-N	303.369	3.527	50	20	DHGD	
CSSCCNC(=O)c1cc2c(s1)CC[C@H](C)C2	791100895	XWWNYXWLJQYRLZ-VIFPVBQESA-N	301.502	3.614	50	20	DHGD	
CC1(C)Cc2c(Br)cccc2[C@H]1NC=C(C#N)C#N	793673532	MHPRNHMVSGFKGC-CQSZACIVSA-N	316.202	3.593	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1cccc(C)c1	794780173	AUKPFSVNSYRLSL-UHFFFAOYSA-N	319.364	3.804	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(-c2ccc(F)cc2)s1	794959823	SXLINESMTJFGDZ-UHFFFAOYSA-N	306.362	3.976	50	20	DHGD	
Cn1nnc2cc(/C=C(\C#N)c3ncc(C(C)(C)C)s3)ccc21	797406887	XIKLYHOGKSVJFP-KPKJPENVSA-N	323.425	3.786	50	20	DHGD	
O=C(C[C@H]1CCCC[C@@H]1O)NN(c1ccccc1)c1ccccc1	798278912	SOCYEWCDTUYROW-APWZRJJASA-N	324.424	3.797	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1cscc1C	799630924	DWHCVWXNKOLIBQ-UHFFFAOYSA-N	303.431	3.754	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](CC)OC1CCCC1	799757368	SWGDEAQJDHVXOR-INIZCTEOSA-N	304.434	3.738	50	20	DHGD	
COCC[C@H]1CCCC1=NNC(=O)c1cccc2ccccc12	799882473	SOUXQCUEZMTROH-OAHLLOKOSA-N	310.397	3.762	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1nc(-c2ccccc2)cs1	801176788	SMIQJRGZLGPIIS-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NNc3ncccc3F)oc12	804212523	YILKLVFZNXSBHS-UHFFFAOYSA-N	313.332	3.649	50	20	DHGD	
Cc1cccc(-c2cncc(C(=O)N(C)CC(Cl)Cl)c2)c1	808247228	WHKQWAIHAWDRSL-UHFFFAOYSA-N	323.223	3.933	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ncnc(Cl)c1C(C)C	816486145	QFAONXZPEPMSGB-UHFFFAOYSA-N	312.845	3.913	50	20	DHGD	
Cc1ccc(Oc2ccc(NC(=O)NN(C)C3CC3)cc2)cc1	823978814	YREMBGAVLKXNOL-UHFFFAOYSA-N	311.385	3.918	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCC[C@H]2Cc2ccccc2)c1	830767023	UPEMEFKKHYIIPT-PKOBYXMFSA-N	319.408	3.660	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNc1cnnc2ccccc12	844135388	WZLBBXNHCYXCJO-AWEZNQCLSA-N	312.417	3.846	50	20	DHGD	
CCC[C@@H](OC)C(=O)NNc1ccccc1Oc1ccccc1	846460923	GXXLAMPNZDMEMQ-QGZVFWFLSA-N	314.385	3.737	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1cccc2c1OC(C)(C)C2	847751469	CLMXLNFBFJSWJH-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
Cc1cc(C)n(CCN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	852521940	COJSQXYWHWDRPT-MRXNPFEDSA-N	323.557	3.596	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ccc(C#N)cn2)C1	853897810	SOPFOZYQTIUCKH-AWEZNQCLSA-N	303.482	3.554	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCc2cccnc2Cl)cc1	854883278	YDHKLRGIGUMCEH-UHFFFAOYSA-N	317.820	3.934	50	20	DHGD	
C=C[C@H](CC(=O)NC[C@@]1(C)C[C@H]1Br)c1ccccc1	857396209	ZLJPTCUYWARSCA-XNRPHZJLSA-N	322.246	3.636	50	20	DHGD	
Cc1nccnc1CN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	878777872	CYPHIERKQJWEQD-HNNXBMFYSA-N	321.541	3.771	50	20	DHGD	
C[C@H](CBr)CN1CCC2(CCSCC2)CC1	879200917	ULYVGNIPHJVACQ-GFCCVEGCSA-N	306.313	3.627	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C\c1cc(C)n(-c2ccc(C)cc2)c1C	914527939	QWRHEBPUKUFCCJ-PDGQHHTCSA-N	321.424	3.788	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)COc1ccccc1F	916300353	ARTPTVAVRHVHGX-MGPFTAQKSA-N	318.392	3.999	50	20	DHGD	
CCC[C@H](NC(=O)NNc1cccc(C(=O)O)c1C)C(C)(C)C	1605216470	ZAMVRAMLEZGRGH-AWEZNQCLSA-N	321.421	3.534	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2csc([N+](=O)[O-])c2)cc1	68723258	XQWCFFLTLLMTOK-SDQBBNPISA-N	313.338	3.510	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccccc1OC(F)F	91987424	CCEFBRVMQKSMGH-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
Cc1ccc(-c2nc(C(=O)NNc3ccccc3F)cs2)o1	153334377	RVNIYJVDJDENOV-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)CC(C)C)cc1Br	171020121	VOHLIICHIQAUBF-KPKJPENVSA-N	322.202	3.980	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)N[C@@H]1CCCc2occc21	175303954	PZXAFFUHLYAZEH-CYBMUJFWSA-N	323.755	3.776	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(C)c2)c1OC	180570563	WBQLWDAPXLIIJU-XNTDXEJSSA-N	324.336	3.985	50	20	DHGD	
COc1ccc2nc(NNC(=O)c3cccc(C)c3)c(C)cc2c1	183168876	DQLIZTQNDKSMNG-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
CC(C)Cn1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cn1	183608678	ALVNUNYXOLAYRS-UHFFFAOYSA-N	314.433	3.594	50	20	DHGD	
CCNC(=O)CNc1cccc(S(F)(F)(F)(F)F)c1	186149412	PRMHSYRQJFCZCY-UHFFFAOYSA-N	304.284	3.892	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(OCC2CC2)cc1	192095681	PJVGWDJUZXLEEP-BOPFTXTBSA-N	319.426	3.555	50	20	DHGD	
O=C(CC[C@@H]1CCCO1)Oc1ccc([N+](=O)[O-])c2ccccc12	268187755	DLFZTWNGXGBKAH-LBPRGKRZSA-N	315.325	3.613	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc2c(O)nccc2c1	285645293	IUDOCUZWGTUQAZ-UHFFFAOYSA-N	301.390	3.600	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cnc(Cl)c(C)c2)cc1	490725778	KTAROHBAAKAWFL-RIYZIHGNSA-N	311.772	3.898	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	728699183	RBDSBJODJVVTOR-NWFCWYBLSA-N	320.323	3.906	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)CCc3ccccc3)C2)cc1	729819107	DJIDHVMEBHQIKB-UHFFFAOYSA-N	306.409	3.977	50	20	DHGD	
COc1ccc(NNC(=O)CCc2c[nH]c3c(C)cccc23)cc1	746881873	DWWODHAXSBQHOP-UHFFFAOYSA-N	323.396	3.561	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2csc3ccccc23)cc1	747052369	FSOBGMGOBDCFNJ-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cccc(C(F)(F)F)c1F	748101088	JGOSCOCWZLAMKR-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cnc2ccsc2c1	749274095	CBANODBMYLYMQS-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](C)[C@H]2C)c1C	752391380	VVZPLVFRIXDCPA-OKCCESLHSA-N	313.445	3.679	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2nc3ccccc3[nH]2)cc1	768514973	NJQFFVUVGCOAQM-UHFFFAOYSA-N	322.412	3.546	50	20	DHGD	
C[C@@H](CBr)CN1CCC2(CC1)OCc1ccccc12	770657549	QNSXLFXMTMXABV-ZDUSSCGKSA-N	324.262	3.539	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccc(Cl)c2O)c(C)c1	775781310	IXNRJVVYGDGXSZ-UHFFFAOYSA-N	304.777	3.728	50	20	DHGD	
CS[C@H](C)CCC(=O)NNc1ccccc1OC(F)(F)F	779200679	GTPVMKZFLVBBBD-SECBINFHSA-N	322.352	3.560	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@H](C)[C@@H]1C	781124145	XLYRESSFYQXZIH-QWRGUYRKSA-N	308.809	3.891	50	20	DHGD	
N#C/C(=C/c1cc(Cl)c2c(c1)OCCO2)C(=O)C1CCCC1	781556258	WBBCMIKAIGEESI-QPEQYQDCSA-N	317.772	3.777	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCCCn1ccnc1	782340270	AJFITALJLGAJTN-ZDUSSCGKSA-N	314.476	3.531	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N2CC(C)(C)C2)c(C)n1CC(C)C	790233763	DJLJDCQOAGETQO-IUXPMGMMSA-N	313.445	3.536	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CCC[C@H]1Cc1ccccc1	790733453	XDVZCIIFNJEPCK-GJZGRUSLSA-N	324.515	3.708	50	20	DHGD	
C=C(CBr)CN(Cc1c(F)cccc1F)C1CC1	791542568	NBURWBGUHPEBSU-UHFFFAOYSA-N	316.189	3.880	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c(O)c1	791721324	XPXQKNJYPXUINM-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cc(C2CC2)cnc1Cl	793705353	CXYZDAFGALMISC-UHFFFAOYSA-N	323.730	3.648	50	20	DHGD	
C=Cc1ccc(CCNC(=O)[C@H](Br)C(C)(C)C)cc1	794385681	TVBCOQUGPIMUES-AWEZNQCLSA-N	324.262	3.798	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1ncccc1Cl	799099871	GRRDVFFCKWDTPY-UHFFFAOYSA-N	315.804	3.762	50	20	DHGD	
CC(C)[C@H](C(=O)NCC(Cl)Cl)c1cccc(Cl)c1	808129664	VZTGLSXPPODLIG-LBPRGKRZSA-N	308.636	4.000	50	20	DHGD	
Cc1nc(-c2ccccc2)ccc1C(=O)N(C)CC(Cl)Cl	808247512	DACNJCIULGZYSD-UHFFFAOYSA-N	323.223	3.933	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1C#N)c1cnc2ccccc2n1	811691182	MAXMIOUSVMJZRE-MDWZMJQESA-N	300.296	3.705	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)CC1CCC(C)(C)CC1	816339025	IWSXBNAOEKRMMQ-UHFFFAOYSA-N	308.397	3.884	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1C[C@H]1c1cccc(Cl)c1	817007070	LQLHNMZPEHBJTN-RYUDHWBXSA-N	322.195	3.635	50	20	DHGD	
C[C@@H]1CCCC[C@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819746617	DFWQKKNCVZKJDW-PSASIEDQSA-N	302.205	3.658	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc3oncc3c2)nc2ccccc21	821031280	HIXMIRDJPZCXAU-JYRVWZFOSA-N	300.321	3.779	50	20	DHGD	
O=C(NNc1ncccc1F)[C@@H]1CCCC[C@@H]1c1ccccc1	831810327	LMMSFWFSHXMYLT-HUUCEWRRSA-N	313.376	3.638	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccc(C(C)C)cn1	836937620	ZIHNINYBZCOWQD-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
N#C/C(=C/c1cccc(O)c1Br)C(=O)C1CCCC1	840721322	SHZMECQKHNNVQY-WQLSENKSSA-N	320.186	3.821	50	20	DHGD	
CCCN(N=Cc1cc2cnccc2o1)C(=O)OC(C)(C)C	844598066	XLAYBBLTLGNKHW-UHFFFAOYSA-N	303.362	3.809	50	20	DHGD	
Cn1ncc(C2CC2)c1/C=C(\C#N)c1cc(C(F)(F)F)ccn1	849248940	AWVPHHZMITVXAJ-IZZDOVSWSA-N	318.302	3.775	50	20	DHGD	
C=CCC1(NCc2ccc(OCCCCl)cc2)CCOCC1	850367859	FSEXZRMIZSCGAL-UHFFFAOYSA-N	323.864	3.909	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1cc(F)c(F)c(F)c1	851902898	UMFQHSWHMDVOTH-HOCOFYGGSA-N	322.168	3.928	50	20	DHGD	
C[C@]1(CNC(=O)c2cccc(C(F)F)c2)C[C@H]1Br	857400158	HDHXVULDIAAFTP-ZWNOBZJWSA-N	318.161	3.528	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)N2CCCC2)cc1)C(=O)C1CCCC1	864365979	HVOOXRKYMBPOEI-QGOAFFKASA-N	322.408	3.589	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2ccc(Cl)cc2)cc1	866005733	SPTMIPPBUMEBAV-UHFFFAOYSA-N	304.777	3.884	50	20	DHGD	
Cc1ccc(OCC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)cc1	899893429	QDESAKFKZKPILT-UHFFFAOYSA-N	315.325	3.504	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(C)c2C)cc1C	915949506	KPPPECVDTFGCPU-QGZVFWFLSA-N	324.424	3.838	50	20	DHGD	
N#C/C(=C/c1csc(-c2ccccn2)n1)C(=O)c1ccccc1	915981244	LZOQXONUSGGGFK-UVTDQMKNSA-N	317.373	3.995	50	20	DHGD	
CCCC(=NNC(=O)CC(F)(F)F)c1ccc(Cl)cc1	917550293	GFAMSQHKCBXOKG-UHFFFAOYSA-N	306.715	3.913	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ccc(C#N)cc3)c(Cl)c2c1	1253410994	ARMHTBSJTVGBNJ-UHFFFAOYSA-N	324.771	3.758	50	20	DHGD	
CN(Cc1cccc(N(C)C)c1)C(=O)C1CCC(Cl)CC1	1263768767	FJKROWRDROMPLB-UHFFFAOYSA-N	308.853	3.509	50	20	DHGD	
CSc1cccc(NNC(=O)c2cc3c(o2)CCCC3)c1	1548672635	QVLVDRZTNNRKHJ-UHFFFAOYSA-N	302.399	3.637	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(C(=O)O)[nH]2)s1	1609670680	LEJHZKFNQVFRSF-RMKNXTFCSA-N	301.371	3.531	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c1	7211289	AAGNZDHIAAWXLN-LFIBNONCSA-N	306.365	3.551	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(/C#N)C(=O)c1c(C)[nH]c2ccccc12	98007762	HGRPWMHRTPADKR-JYRVWZFOSA-N	304.353	3.606	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1ccc(F)c(Cl)c1	119572202	JJMJMZLWPJQMPL-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
O=C(NNc1ccccc1Br)C1=CCCCCC1	131881145	MBYZGSOVTITFTB-UHFFFAOYSA-N	309.207	3.783	50	20	DHGD	
C[C@H](CBr)CN(Cc1cccc(O)c1)CC1CC1	133786066	ARSVRPFZFLTSKL-GFCCVEGCSA-N	312.251	3.635	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(F)c1)c1ccc(OC)cc1	152772052	QNPKQFCYOVKISR-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
CCc1ccc(C(=O)NNc2nc(C(F)(F)F)cs2)s1	152794400	NETBOKCEMMTONS-UHFFFAOYSA-N	321.349	3.543	50	20	DHGD	
CCc1[nH]nc(NC(=O)CCCC[C@@H]2CCSS2)c1C	153730822	HPQRNQXRKLCILJ-LLVKDONJSA-N	313.492	3.933	50	20	DHGD	
O=C(Cc1ccc(F)cc1Cl)NNc1ccccc1Cl	158267891	ZWDAPEPPWJGVPF-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1ccccc1OC(C)C	184380828	MVNPEJGWEJIVKL-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CC=C(c2cccc3ccccc23)C1	490841064	HVUWEGUTRZVSBN-VKAVYKQESA-N	318.376	3.509	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1csc(-c2ccsc2)n1	588555094	FITHSWBHWDXUAP-SDQBBNPISA-N	324.452	3.561	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2nccn2-c2ccccc2)cc1	588580477	RKPWRXJTQVPZIH-LGMDPLHJSA-N	313.360	3.971	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(N(C)C)cc1	731153673	XVQGDPOVLRMYPT-UHFFFAOYSA-N	323.440	3.571	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)OC(C)(C)C	734417426	DAJIOGWTXIGFKZ-CQSZACIVSA-N	312.454	3.785	50	20	DHGD	
Cc1ccc(F)c(C=NNC(=O)NCc2ccc(Cl)cc2)c1	734979044	ITEPNEVLXLGPPQ-UHFFFAOYSA-N	319.767	3.621	50	20	DHGD	
Cc1ccc(C[C@H](C)NC(=O)NNc2ccccc2Cl)s1	739045328	HYYPWKWNPQSOAU-JTQLQIEISA-N	323.849	3.967	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2c(F)cccc2OC)cc1	741811778	CXFMVFGTUDIMPF-UHFFFAOYSA-N	314.360	3.551	50	20	DHGD	
COCc1cccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)c1	742350153	RIZRVHYPQVMMGP-GZTJUZNOSA-N	317.348	3.947	50	20	DHGD	
CCc1ccccc1OCC(=O)NN=Cc1coc2ccccc12	746558012	FHULMMQBMCWYJS-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
CC(C)Oc1ccccc1C=NNC(=O)c1cc2ccccc2o1	749830293	NELSYGKLLBXJJW-UHFFFAOYSA-N	322.364	3.984	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(OCC#N)c2)cc1	764888823	YDUFNCXZELQEFY-BOPFTXTBSA-N	302.333	3.687	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1nc2ccccc2[nH]1	768492334	NWBDJHXJUQCFCG-UHFFFAOYSA-N	300.406	3.757	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)c1ccccc1F	770367162	HAIHOEVBBCQQOA-VHSXEESVSA-N	303.171	3.503	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@H]1c1ccc(F)cc1	770645817	LKMLBLUPHMRGEL-FZMZJTMJSA-N	300.215	3.994	50	20	DHGD	
CN1C(=O)CCc2cc(/C=C(/C#N)C(=O)C3CCCCC3)ccc21	773914129	DBLXPUOWTPGGSH-ATVHPVEESA-N	322.408	3.652	50	20	DHGD	
CCCC[C@H](CC)CNC(=O)/C(C#N)=C\c1ccc(O)cc1	776628238	NYUBBCBZQBTNBD-HNDQUVLASA-N	300.402	3.632	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1ccc(C(C)(C)C)cc1	780802582	RFLNLSYWAADAFX-UHFFFAOYSA-N	301.390	3.852	50	20	DHGD	
CC(=NNC(=O)C(F)F)C(c1ccccc1)c1ccccc1	782236174	VVAOBEGDCFWDHD-UHFFFAOYSA-N	302.324	3.576	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1nc2ccc(OC)cc2s1	788687360	FXIHDBATBWAAKD-FLIBITNWSA-N	316.382	3.555	50	20	DHGD	
CC[C@@H]1CCC[C@@H]1NC(=O)NNc1ccc(Cl)c(OC)c1	789085259	DSHMDSHCQLZGNM-MFKMUULPSA-N	311.813	3.553	50	20	DHGD	
CC(C)[C@H](NC(=O)CCCC[C@H]1CCSS1)C(C)(C)O	791050571	PTBKUYDQRKHSHL-JSGCOSHPSA-N	319.536	3.612	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H]1Cc1ccccc1C	791460015	FJYXTQVBERXQMX-MRXNPFEDSA-N	308.263	3.953	50	20	DHGD	
C=C(CBr)CN1C[C@H](c2ccccc2C)OC[C@@H]1C	791470929	IQIRJJOXLKPMMK-GOEBONIOSA-N	324.262	3.708	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C[C@H](C)c1ccccc1	794785254	KRCKLOFTBIUCCT-LBPRGKRZSA-N	316.788	3.868	50	20	DHGD	
CCCN(N=C(C)c1cc(F)ccc1O)C(=O)OC(C)(C)C	794998442	MCKSCWLYCWJTEN-UHFFFAOYSA-N	310.369	3.902	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	795118477	CQETWVPPFCRJPX-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ccc2ncccc2c1	797325773	VCGANXWFWYLADM-GHRIWEEISA-N	307.397	3.838	50	20	DHGD	
CN(NC(=O)N[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1	798084342	QTFMFPCDKKYTAH-JKSUJKDBSA-N	315.804	3.547	50	20	DHGD	
CC[C@H](C)CCC(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	802830090	IZYUDCVCXUZUNT-JTQLQIEISA-N	313.323	3.846	50	20	DHGD	
CCOC1(C(=O)NNc2cc(Cl)cc(Cl)c2)CCCC1	803190424	RAMFWXPHHGATPQ-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(-c2cccc(OC(F)F)c2)cs1	806553739	XNVHGZATHCCUHC-FLIBITNWSA-N	307.325	3.625	50	20	DHGD	
CC(C)(C)CN(CCO)Cc1ccc(OCCCCl)cc1	811462213	WAOMVTHEZIAINN-UHFFFAOYSA-N	313.869	3.535	50	20	DHGD	
CN(C)[C@H]1CCC[C@H](NCc2ccc(OCCCCl)cc2)C1	811483000	ZSUCFGXKXDYYKG-IRXDYDNUSA-N	324.896	3.657	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@H](Cc3ccccc3)C2)c(O)c1	814811137	RBQBUSTXIPZQMA-MRXNPFEDSA-N	322.408	3.829	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2cccc(Cl)n2)cc1	817011816	KYRAJGPQRVRVLY-LLVKDONJSA-N	303.793	3.544	50	20	DHGD	
CCOc1ccc(NNC(=O)C23CC4CC(CC(C4)C2)C3)cc1	817900174	XOUQDNWZOWLZER-UHFFFAOYSA-N	314.429	3.745	50	20	DHGD	
CC(C)(C)OC(=O)NCCCCCCCN1CC=C(C#N)CC1	828569693	SINHVKUWOJRIKH-UHFFFAOYSA-N	321.465	3.617	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)[C@H]1CCCCC1(F)F	828766154	MOEZQRMPZULKMY-MRVPVSSYSA-N	306.715	3.748	50	20	DHGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967936	DYTNHGPLPIJGQG-JQWIXIFHSA-N	315.339	3.760	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C(C)(C)F)cc(Cl)c1OC	834446565	AXVZEMHSISFXJW-YHYXMXQVSA-N	311.740	3.581	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1coc2c1C(=O)CCC2	836936585	OFXFWQJDIRESBG-UHFFFAOYSA-N	318.760	3.517	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCCc2cccnc21	836937121	VGPYSMMCKBTUTA-ZDUSSCGKSA-N	315.804	3.607	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCC(=O)[C@H](C)C2(C)C)c(Cl)c1	836937895	QHZOCYPUVRJYPV-RYUDHWBXSA-N	322.836	3.733	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OCC(F)(F)F)cc1)C1CCC1	837486909	AZXRGLVXZMEWMJ-SNVBAGLBSA-N	316.323	3.507	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC[C@H]2CCO[C@@H](C)C2)cc1	838545996	LZBRNZQUQWCNJZ-GJZGRUSLSA-N	319.449	3.641	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1cc(F)ccc1Br	839878987	MMOVTUGEYQOZKJ-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
C[C@@H]1C[C@@H](C)[C@H](C(=O)NNc2ccccc2Cc2ccccc2)O1	846460255	AFAOGOQSARYGBD-SPYBWZPUSA-N	324.424	3.534	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1	857499492	POFPSACDJDUDEJ-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
N#CC1(CC(=O)NNc2cccc(F)c2Cl)CCCCC1	862507556	HPFIBPLPBHRPPD-UHFFFAOYSA-N	309.772	3.786	50	20	DHGD	
Cc1ccccc1[C@@H](C)C(=O)NNc1cccc(C(F)(F)F)n1	895290197	VVZGYDDHBPRSTB-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)[C@@]1(C)C[C@H]1Br	907588942	COGBDZNGTHABDN-OCCSQVGLSA-N	307.191	3.588	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@H]12)c1ccc(Cl)cc1	916254502	YDIGKTWTUIBASU-UNQGMJICSA-N	302.805	3.882	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)c(F)c1	916285852	LGRURNOHALWRKK-UHFFFAOYSA-N	313.307	3.600	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)c1cccc(N(C)C)c1	920364952	LCHBOAZDRWLPPF-UHFFFAOYSA-N	323.440	3.800	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCCc3cccnc32)ccc1Cl	928339811	KRQFCAIGMHYRGO-CQSZACIVSA-N	315.804	3.607	50	20	DHGD	
Cc1sc(CNC(=O)CCl)nc1-c1ccc(Cl)cc1	1319681570	CIHILMPWOZJHFG-UHFFFAOYSA-N	315.225	3.627	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)cc1Cl	1329258970	YNNKJJHGVRNHLT-USXIJHARSA-N	312.800	3.677	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1595632769	QJKOTIFZTJQGPJ-LLVKDONJSA-N	323.345	3.805	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)s1	1777433704	WSGFSGGUSBHXJJ-GHXNOFRVSA-N	315.325	3.684	50	20	DHGD	
CC(C)Oc1ccc(/C=C(\C#N)C(=O)NC2CCCCC2)cc1	42653630	HWFSRGAGZTUPML-FOWTUZBSSA-N	312.413	3.830	50	20	DHGD	
COc1cc(C)ccc1NC(=O)NNc1ccccc1Cl	92432670	UNKFUOYNQYUSCJ-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2ccc(OC(F)F)cc2)c1	120502939	WPJRXPKRMJLQSR-UHFFFAOYSA-N	320.339	3.591	50	20	DHGD	
COc1ccc([C@@H](C)CC(=O)NNc2cc(C)ccc2C)cc1	158988569	FHUXLXCRJMAXTP-HNNXBMFYSA-N	312.413	3.949	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)Nc2ccccc2)c(Cl)c1	173925315	NKQSQXOMSVMZOL-UHFFFAOYSA-N	318.764	3.507	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@@]23CCCc2ccccc23)c1	175228876	NNEMWHZXODDCEZ-AZUAARDMSA-N	306.409	3.732	50	20	DHGD	
CCS[C@H](C(=O)NNc1ccc(Cl)c(F)c1)C(C)C	175441246	JTCBLLKVGJDYEJ-LBPRGKRZSA-N	304.818	3.700	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCOc2ccccc21	281817488	QUULTSFZHIJTFK-MRXNPFEDSA-N	310.397	3.567	50	20	DHGD	
Cc1ccsc1/C=C(/C#N)C(=O)NCc1ccc(F)c(F)c1	490702503	ZGGTVBCLHJTVOK-GHXNOFRVSA-N	318.348	3.558	50	20	DHGD	
CCCN(C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C)C1CC1	728837477	KTDIJCYDGLGXMZ-SFQUDFHCSA-N	313.445	3.823	50	20	DHGD	
COc1ccc(NNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1	729273866	IQZYVSKWIZVAMQ-HOTGVXAUSA-N	316.788	3.595	50	20	DHGD	
C[C@H]1Oc2c(ccc(Cl)c2Cl)C1=NNC(=O)C(C)(C)C	729932427	APKSQLMZUAFWDU-SSDOTTSWSA-N	315.200	3.641	50	20	DHGD	
CC[C@@H](Cc1ccccc1)NC(=O)NNc1c(F)cccc1F	735760444	XIQLGJHUSFDUEQ-ZDUSSCGKSA-N	319.355	3.612	50	20	DHGD	
CCc1ccc(OCC(=O)NNc2ccc(Cl)c(F)c2)cc1	746701110	RLYVVVBZKPNZRP-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CCSCC[C@@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	746771812	IRCXDEGJTTZCGN-SECBINFHSA-N	319.833	3.637	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(Cl)cc2Cl)cc1	747052023	VRWSZOVDMFINBM-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cccc3cccnc23)c(C)c1	747362355	YWJDJPIMYUNCRV-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(Cl)cc2F)C12CCC2	747646404	QCRIMUHEWSRPEO-CQSZACIVSA-N	324.783	3.544	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1cccc2cnccc12	748764128	UIRHUJJMADSMSC-UHFFFAOYSA-N	321.380	3.779	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(C(F)(F)F)s1	761778978	ZVQCCCLPYCETCP-UHFFFAOYSA-N	312.316	3.839	50	20	DHGD	
CC(C)(C)C1CCC(CC(=O)NNC(=O)C2CCCC2)CC1	764820076	VFWGEANWWUYBCF-UHFFFAOYSA-N	308.466	3.567	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccccc1F	766750008	QSFYWGVOOFGWFM-NSHDSACASA-N	303.171	3.679	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1Cl)c1c[nH]c2ccccc12	767746988	PFAKIWKWDDERHY-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
C[C@H]1CCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)CC12CCC2	771460746	DTARVHXLJQHMQI-CGWJPAAUSA-N	311.385	3.971	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCc2c(Cl)cccc21	775781817	LALRVDRUZJCCDH-AWEZNQCLSA-N	318.779	3.961	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2cc(Cl)ccn2)o1	778447967	XHXSZEMBDMFQQL-GXFFZTMASA-N	319.792	3.527	50	20	DHGD	
CCc1nc(C)c(NC(=O)[C@H](Br)C(C)(C)C)s1	779311076	ZPACZHRHTNSYHH-VIFPVBQESA-N	319.268	3.762	50	20	DHGD	
Cc1ccn2cc(C(=O)NNc3ccc(C(C)(C)C)cc3)nc2c1	780802049	CJTTXGYYJGXLHL-UHFFFAOYSA-N	322.412	3.697	50	20	DHGD	
Cc1occc1CNC(=O)NNc1ccc(C(C)(C)C)cc1	780822898	DYXXFHSRUHIULQ-UHFFFAOYSA-N	301.390	3.712	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)cs1)C(=O)c1cc2ccccc2o1	782200680	NHACKPQIEXSLEG-WZUFQYTHSA-N	323.329	3.982	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CC[C@H](Cc2ccccc2)C1	783022574	GJISSCQHJIEWDJ-SJLPKXTDSA-N	309.413	3.724	50	20	DHGD	
CC(C)=CCNC(=O)NNc1c(Cl)cc(F)cc1Cl	790534410	OFJDEOOVHBTKPF-UHFFFAOYSA-N	306.168	3.725	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	795165658	YDQSJFYSSMPPFQ-DTWKUNHWSA-N	321.368	3.821	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc(Cl)ccc1OCC1CC1	797398191	LUYGLVOGLJOBIY-RIYZIHGNSA-N	318.804	3.562	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1C#N	799705477	JWKYNHMORVDBPO-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
O=C(NN=C1CCCc2occc21)c1cc2ccccc2cc1O	814694429	JZKRFNJTLBUNGA-UHFFFAOYSA-N	320.348	3.609	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCc3cccnc32)cc1	819926182	YSEGOGPCFMGSDQ-MRXNPFEDSA-N	309.413	3.552	50	20	DHGD	
C=C[C@@H]1OCCC[C@H]1NCc1ccc(OCCCCl)cc1	824953068	GOVLKYASQJWJSQ-SJORKVTESA-N	309.837	3.518	50	20	DHGD	
CC1(C)[C@H]2OCCC[C@H]2[C@H]1NCCO[Si](C)(C)C(C)(C)C	831329296	UMZGLEUSADZXON-ZNMIVQPWSA-N	313.558	3.801	50	20	DHGD	
CC(C)C[C@@H](C(=O)NNc1ncc(F)cc1F)c1ccccc1	837208103	XODQWNXACVRIQF-CQSZACIVSA-N	319.355	3.633	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@H](O)C[C@@H]1c1ccccc1	839635908	LEKWJBBDCYYWOO-IAGOWNOFSA-N	321.537	3.816	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)Cc1ccc2ccccc2c1	841620250	UMTVAWPZRQKLEF-UHFFFAOYSA-N	307.397	3.958	50	20	DHGD	
CCC(C)(C)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387645	LVJCNKMPGKHQHY-UHFFFAOYSA-N	324.837	3.738	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(c2ccc(C#N)cn2)C1	853897811	SOPFOZYQTIUCKH-CQSZACIVSA-N	303.482	3.554	50	20	DHGD	
CCc1ccccc1[C@@H]1C[C@H]1C(=O)NNc1ccc(Cl)cn1	856091397	NETFDCRBYZIXCP-LSDHHAIUSA-N	315.804	3.544	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2cccc(F)c2Cl)C1	862506681	GTZIEDRYXIPINF-QWRGUYRKSA-N	314.788	3.518	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1cncn1C(C)C)c1ccccc1	901496654	XADOCGZSKRNWMW-FJJYYWMZSA-N	322.412	3.638	50	20	DHGD	
COc1cc(C(=O)NN=C[C@@H]2CC=CCC2)ccc1OC(C)C	916348446	GQLPZXFZBVDEIR-CQSZACIVSA-N	316.401	3.554	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)c1cc2ccccc2o1	1115821846	RUGNXODNOGGMEF-ZSOIEALJSA-N	319.316	3.937	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)c(F)c2)c(C)n1CC1CC1	1119975744	BKRZYPXMHXAQIE-UHFFFAOYSA-N	319.355	3.550	50	20	DHGD	
COc1ccc(Cl)cc1C=NNC(=O)c1ccccc1Cl	1248747160	PBHGHTQLVGMSIN-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](c2ccccn2)C1	1358265952	YOTLRCDEVUGSMD-MRXNPFEDSA-N	314.816	3.840	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Oc2ccccc2Cl)c1	74351480	XBPPOJFLOGJSEW-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
CCCN(CC)c1ccc(C(=O)NNc2ccccc2F)cc1	152818514	JDQVWQWDAFKJPG-UHFFFAOYSA-N	315.392	3.819	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1cccnc1Cl	153082281	GYGLCDIEKCUXCC-UHFFFAOYSA-N	318.808	3.704	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(F)cc(C(F)(F)F)c1	153288310	WVQUCVQRMIZMAX-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1cccs1	188068915	QSHRHPQNWWCFCN-UKYUDJEDSA-N	324.405	3.724	50	20	DHGD	
CCCN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(O)cc1	188113577	XILXTAWAGLBCNG-AQTBWJFISA-N	320.392	3.738	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C2(Cc3ccccc3F)CC2)c1	188970879	DBCQRAFUUSKUFD-UHFFFAOYSA-N	312.388	3.909	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(Cl)ccc1OC(F)F	255541143	FDIMBNFRRMIHSL-POHAHGRESA-N	313.687	3.578	50	20	DHGD	
C/C(C=NN(C)C(=O)OC(C)(C)C)=C\c1cccc([N+](=O)[O-])c1	492308388	QCMGQCGFIAULJB-NPHAMFQZSA-N	319.361	3.851	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1ccc(N)cc1	727781601	RDQOCAWGZWWDRL-UHFFFAOYSA-N	322.195	3.730	50	20	DHGD	
CC[C@@H](C(=O)NN=C1CCN(C(C)(C)C)CC1)c1ccccc1	731933340	XBYWOMCKPNVKLI-QGZVFWFLSA-N	315.461	3.547	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C[C@@H](C)CC(C)(C)C)c1ccccc1	731998940	IGIGPQNKNJYQQY-GDBMZVCRSA-N	318.461	3.790	50	20	DHGD	
Cc1ccccc1[C@H](NC(=O)NNc1ccc(F)cc1)C1CC1	732895165	WXXJNLSHQHBYFJ-QGZVFWFLSA-N	313.376	3.912	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)c1cc2ccccc2s1	743819547	VBTBHIAOSJEMRD-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccccc2)ccc1Br	746367798	QRURZVBTJUHXRV-UHFFFAOYSA-N	317.186	3.521	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)CCC2CC2)c1C	747039731	SGQHVIFFBIGPRR-PDGQHHTCSA-N	313.445	3.680	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Cl)o1	752810564	BPBVBVQTFMQMFQ-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2ccc(-c3ccccc3)nn2)C1	754467534	OEGXJLBNNNDJNV-GJZGRUSLSA-N	324.428	3.803	50	20	DHGD	
CSCCC=NNC(=O)c1sc(-c2ccccc2)nc1C	755567038	RLGSTEYTAKORMV-UHFFFAOYSA-N	319.455	3.587	50	20	DHGD	
CN(NC(=O)c1cncc(-c2ccccc2)c1)c1ccccc1	758240834	CFLQHWAKDOGDLG-UHFFFAOYSA-N	303.365	3.530	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CCc2ccsc2C1	761121865	HQOZYVPXVTVEHE-PJQLUOCWSA-N	311.366	3.579	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2cc(-c3ccc(F)cc3)[nH]n2)C1	764809028	FYIPKNGLFNGBNR-LLVKDONJSA-N	314.364	3.512	50	20	DHGD	
O=C(NNc1cnc2ccccc2n1)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	765996241	UXCKOXDEWQTOIN-RRFJBIMHSA-N	324.428	3.679	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2nc3ccccc3[nH]2)cc1	768495675	NPQCKMRDCIUMCT-CYBMUJFWSA-N	322.412	3.762	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1OCC(=O)NNc1ccc(Cl)cc1	768717417	YCTXOIVINCHCDQ-IUODEOHRSA-N	310.825	3.769	50	20	DHGD	
C[C@H](CNC(=O)[C@@]12CC[C@@H](C[C@H]1Br)C2)C(C)(C)C	769858395	HSCGYFXROQUFJQ-NWJSVONSSA-N	316.283	3.739	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2cnc3ccccc3n2)cc1	774794977	QDLFDOIMOGAJRL-CYBMUJFWSA-N	320.396	3.900	50	20	DHGD	
Cn1ccc2c(NC(=O)NNc3c(F)cccc3F)cccc21	775594262	PRQFSJWSCCJNGF-UHFFFAOYSA-N	316.311	3.605	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1F)c1cc2ccccc2o1	783521640	WQHKRTCXHODBHW-UHFFFAOYSA-N	316.719	3.989	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H](C)c2ccccc2)ccc1Cl	788844893	DJPJTGQTRAQCIS-NSHDSACASA-N	319.792	3.736	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2cccc(C)c2)c(O)c1	789902125	IHQPBWIDZMUYEC-UHFFFAOYSA-N	314.385	3.636	50	20	DHGD	
CC(C)[C@H](C=NNC(=O)CNc1ccccc1)c1ccccc1	794462684	CGNVQTFWGUAMKN-SFHVURJKSA-N	309.413	3.640	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccnc(F)c1F	794949091	OTASPOWWXHWXDY-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
C[C@H]1CC[C@H](C=NNC(=O)CCSc2ccc(F)cc2)C1	800808482	UBKCUICPZJJFCD-STQMWFEESA-N	308.422	3.846	50	20	DHGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NNc1cccc(F)c1	807119236	ZKPUPPPYFVGKIM-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1ccnc(Cl)c1C	810297765	IEQPTEZDDZUJSL-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnnc(-c3ccccc3)c2)c1	810684473	YTRUCDKVXKRIQM-UHFFFAOYSA-N	318.380	3.517	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2cc(F)cc(F)c2)cc1	814998495	MCDQSVKJRNCDGC-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
C/C=C/COC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	818032578	VWGQHULZXQZXBC-SVHBSCFYSA-N	300.402	3.787	50	20	DHGD	
C[C@H]1C[C@@H](NCc2ccc(OCCCCl)cc2)c2nccn21	825016314	AQBJZVJXBUVTSF-XJKSGUPXSA-N	319.836	3.686	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCC[C@@H]1c1ccccc1	825915769	ZPLMOBNEUMTPFZ-ZIAGYGMSSA-N	316.351	3.992	50	20	DHGD	
CC(C)c1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1[N+](=O)[O-]	834446898	FMHOLXSSTFWZLB-KPKJPENVSA-N	304.321	3.942	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NN(C)C(=O)OC(C)(C)C	838370354	RDIVTTUOUSOMAI-CQSZACIVSA-N	320.433	3.544	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)c2ncc(C)s2)c(Cl)c1	838506578	HYLNJANGFMBCGX-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
COC1([C@H](C)NCc2ccc(OCCCCl)cc2)CCC1	840969147	BALWDYOGDOIJDP-AWEZNQCLSA-N	311.853	3.742	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C[C@H](C#N)CCC#N)C1	852522867	RAZWMNYREGPJGC-LSDHHAIUSA-N	307.514	3.526	50	20	DHGD	
CC(C)(C)c1ccn(CCO[Si](C)(C)C(C)(C)C)c(=O)n1	853704934	BQRODTUVJWRMQP-UHFFFAOYSA-N	310.514	3.563	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	857265192	ZNFXVHBJYQGMGK-UHFFFAOYSA-N	316.323	3.759	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3ccccc3Cl)CCC2)n1	862517987	KTDPPUYNUZPECQ-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1cc(Cl)ccc1F	871271122	DWWCQFWNRBCGLN-UHFFFAOYSA-N	314.788	3.852	50	20	DHGD	
Cc1ccccc1[C@@H](C)C(=O)NNc1ncccc1C(F)(F)F	895266406	DIVNAHAQBMUHNA-LLVKDONJSA-N	323.318	3.656	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2csc(C(C)(C)C)n2)cc1	920368344	MTXULLDNNROXJB-UHFFFAOYSA-N	315.442	3.767	50	20	DHGD	
CCCc1ncc(C(=O)NNc2ccc(Cl)c(C)c2)s1	928341046	MCDZBVKKKXCMQO-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)OC2CCCCC2)c(C)c1	1116150768	QENUDQGEYDKLST-OAHLLOKOSA-N	304.434	3.793	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cncn1-c1ccccc1	1116884138	DEPNRVSGQOBDAO-CABCVRRESA-N	324.428	3.804	50	20	DHGD	
Cc1noc(C)c1C(C)(C)NC(=O)c1cccc(CCl)c1	1347080370	UOCPRHFEYCTFDX-UHFFFAOYSA-N	306.793	3.695	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC[C@](F)(c2ccccc2)C1	1347557563	OOCISSCTSZCJOQ-PUJMQQBBSA-N	309.812	3.881	50	20	DHGD	
N#Cc1ccc(NC(=O)NNc2ccccc2C(F)(F)F)cc1	45029255	DMHQSBRCJDGPBI-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H]2C[C@H]2c2c(F)cccc2F)c1	116442151	LSWQCFQBNTWCEX-OLZOCXBDSA-N	302.324	3.520	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc2cc(F)ccc2o1	117750788	GSWNTWJWGXFNRW-UHFFFAOYSA-N	304.708	3.982	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(OCC2CC2)cc1	118509802	ILLBJHZZEABNNA-UHFFFAOYSA-N	318.323	3.511	50	20	DHGD	
Cc1ccc2cccc(C(=O)NNc3ccc(Cl)cc3)c2n1	120131092	SFGBADNEQWWYEA-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)s1	121734023	GFJSCZAEPDSKIE-XTCQQWIJSA-N	312.394	3.541	50	20	DHGD	
O=C(CC(F)(F)F)NN=C(c1ccccc1)c1ccccc1	122121678	LGRWJVLEYGHSED-UHFFFAOYSA-N	306.287	3.508	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)Nc1ccncc1	160753577	PDXQFJNURGDLMF-FLIBITNWSA-N	318.163	3.934	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(-c2ccccc2)[nH]1	172162426	XUFKNWXTLKNGOD-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCCC(C)C)c1	195219581	DWUGUFWOLICVIP-XNTDXEJSSA-N	317.385	3.590	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(Cl)cs2)cc1	195224755	NDTAVQRDOOVKPJ-POHAHGRESA-N	318.785	3.956	50	20	DHGD	
COc1cc2c(cc1OC)CN(/C(=C\C#N)c1ccccc1)CC2	255905731	VSBYLOPYGUWEMW-LSCVHKIXSA-N	320.392	3.627	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1nccnc1C1CCC1)c1ccccc1	286906450	HHPOBYSJANYJFG-MRXNPFEDSA-N	324.428	3.627	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccc(F)c1C#N	491014345	WYERNPSQDGTCFH-DHDCSXOGSA-N	319.339	3.860	50	20	DHGD	
Cc1ccccc1-c1cccc(/C=C(\C#N)C(=O)NC2CC2)c1	729641820	YSKNCDFWUDLRHP-SFQUDFHCSA-N	302.377	3.848	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3ccc(F)cc3F)CC2)c1	733364257	DIXRZSYWCFSKLD-UHFFFAOYSA-N	316.351	3.757	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(Br)cc1Cl	743438620	NRIUVWBTLGHJGQ-QMMMGPOBSA-N	317.614	3.599	50	20	DHGD	
C[C@@H](CCOc1ccccc1)C(=O)NNc1cccc(Cl)c1	744463418	DUZOOIZYVHXIFC-ZDUSSCGKSA-N	318.804	3.888	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)c1ccc(C)cc1	744772990	GMVHURKRCGWZLS-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C[C@@H](C)c1cccc(Br)c1	747633859	XXCQUYIZOZUJMQ-GHMZBOCLSA-N	311.223	3.701	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1cc2cc(C)c(C)cc2o1	749159264	URKYCLBLCPSIAQ-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
CC[C@@H](c1ccccc1)N(CC)CCI	759350519	FFTRINPNULGTGO-ZDUSSCGKSA-N	317.214	3.895	50	20	DHGD	
C[C@@H](CC(=O)c1ccc(Cl)cc1)C(=O)NNc1ccccc1	759975592	LLGGJUOOQLYUGM-LBPRGKRZSA-N	316.788	3.692	50	20	DHGD	
CN(Cc1cccc(N(C)C)c1)/C(=C\C#N)c1ccc(F)cc1	760865667	KBHHNODVGUEKEC-ODLFYWEKSA-N	309.388	3.888	50	20	DHGD	
COc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)c1	766779478	QLZGTGKZIMDSFN-RIYZIHGNSA-N	310.309	3.676	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(O)c(Cl)c1	769586559	QWHFMVGZXVENFO-QWRGUYRKSA-N	308.809	3.978	50	20	DHGD	
CCc1cccc(C)c1NC(=O)NNc1cccc([N+](=O)[O-])c1	769923807	PAZIERMNOSYLHR-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2c(C)cccc2F)c1C	771699042	RUYUQBWAIGVJPN-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)C1(c2ccccc2)CCCC1	772860574	OTFLZRKEILMMNH-UHFFFAOYSA-N	324.428	3.555	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccc(OC(F)F)cc2)o1	776258736	UXWNUVWRVPVNRI-WQLSENKSSA-N	303.264	3.979	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@@H](C#N)C2CCCCC2)cc1	776360461	ALPPKIRHKXCGFW-FYXHJSOBSA-N	324.380	3.618	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2cc(Cl)ccn2)cc1	778450035	REFQZFGMHMICHF-NSHDSACASA-N	303.793	3.544	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNC(=S)Nc1cccc(C)c1	784591643	SBKLVVANELZEQY-ZDUSSCGKSA-N	321.490	3.919	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(Cl)s2)ccc1Cl	790177458	IGJAVOVGYQQPGN-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CC[C@H](c2ccc(F)cc2)C1	792319937	GJGKTDKHVFEBFC-WMLDXEAASA-N	313.376	3.788	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@H](F)CC1CCCCC1	793709625	BWYYGKCTYZZDPP-MRXNPFEDSA-N	315.392	3.986	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2ccc(O)c(Cl)c2)C1	794511584	FIIRUOBCPTZCAQ-NSHDSACASA-N	308.809	3.978	50	20	DHGD	
O=C(NN=C[C@@H]1CCCSC1)c1c(Cl)cccc1Cl	794904294	FDYFNNIDWUEMGW-VIFPVBQESA-N	317.241	3.852	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H]1Cc2ccc(F)cc21	796556650	JAAFWBYUTWOPME-CQSZACIVSA-N	315.300	3.596	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2ccccc2c1	805380890	BLVZNCQFOSXTBA-UHFFFAOYSA-N	321.336	3.813	50	20	DHGD	
COc1cc(Cl)c(NC(=O)NNc2ccc(F)cc2)cc1C	808898645	FPUQBTXTVDIUID-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
Nc1ccc(C(=O)NN=Cc2ccc(C3CCCC3)cc2)cc1	812223496	YOVDNGRYQRWXJJ-UHFFFAOYSA-N	307.397	3.690	50	20	DHGD	
COc1ccc(-c2ccccc2)cc1C=NNC(=O)CC1CC1	814987001	OQBGPLDSPJRZLE-UHFFFAOYSA-N	308.381	3.612	50	20	DHGD	
Cc1ccc(CCC=NNC(=O)Nc2ccc(Cl)cc2)cn1	815003261	LWKVWNVPWGNAJH-UHFFFAOYSA-N	316.792	3.784	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(O)c(F)c1	815004686	KDOKMTXMCWQPRJ-UHFFFAOYSA-N	321.739	3.730	50	20	DHGD	
COc1cc(Cl)cc(C(=O)NNc2cc(C)cc(C)c2)c1	815853112	WJOFJNGCTZDSHS-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
O=C(NNC(=O)C1CCC2(CC1)CC2)c1cccc2ccccc12	828577247	BGFGQEIUBABSFQ-UHFFFAOYSA-N	322.408	3.571	50	20	DHGD	
CC(C)Cc1c[nH]c(C(=O)NNc2ccc(OC(F)F)cc2)c1	839708418	JBWBKLFCNDDEMZ-UHFFFAOYSA-N	323.343	3.572	50	20	DHGD	
O=C(/C=C/C1CCCC1)NNc1cc(Cl)nc(Cl)c1	843912534	XWPWNSFTTLPPDR-AATRIKPKSA-N	300.189	3.578	50	20	DHGD	
COC1(C(=O)NNc2ccccc2Cc2ccccc2)CCCC1	846460937	HEBMGRPMQATURE-UHFFFAOYSA-N	324.424	3.680	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2ccc(F)c(Cl)c2)c1C	863080633	HYJDUOMOIKQLQU-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCc2ccc(F)c(F)c2C1	1123663663	HBNZHGDLBVOUAV-UHFFFAOYSA-N	313.775	3.647	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H]1CCC[C@H](F)C1	1261454357	GLIJETLCZKINBP-UWVGGRQHSA-N	319.302	3.612	50	20	DHGD	
CCCn1cc(C(=O)NNc2c(C)cccc2C(C)C)c(C)n1	1337237598	QXHLITXYFGPUEO-UHFFFAOYSA-N	314.433	3.790	50	20	DHGD	
O=C(N[C@@H]1CCC[C@]12CCCCO2)c1cccc(CCl)c1	1550889205	HJAFRMKMPFZUPC-NVXWUHKLSA-N	307.821	3.647	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(C)c(C(=O)O)c1	1595631998	MYIMHKQZHKKWLT-CYBMUJFWSA-N	306.406	3.743	50	20	DHGD	
C/C(=C\C1CCC(C)CC1)C(=O)NNc1ccccc1C(=O)O	1602960334	RLIZSGGIKDYWLM-ACCUITESSA-N	316.401	3.601	50	20	DHGD	
O=C(COc1ccccc1Cc1ccccc1)NN=C1CCCC1	8229192	UVUQEPZQCGYQMA-UHFFFAOYSA-N	322.408	3.702	50	20	DHGD	
CCCC[C@H](CC)CNC(=O)/C(C#N)=C/c1ccc(O)cc1	41676503	NYUBBCBZQBTNBD-LUYJPIOASA-N	300.402	3.632	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)c1sc2ccccc2c1Cl	60783620	NDWYHUDJOKSDCW-UHFFFAOYSA-N	324.833	3.752	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCN(C2CCCCC2)CC1	63371750	QBYKYMQAWYMLOX-UHFFFAOYSA-N	313.445	3.509	50	20	DHGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccccc1	73001373	KECGTUUCBVCAEI-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)C12CC3CC(CC(C3)C1)C2	106925767	ZSRQCLZZGUXPQL-UHFFFAOYSA-N	321.424	3.894	50	20	DHGD	
COC[C@@H]1CCCN(C(=O)CCCC[C@H]2CCSS2)C1	112940759	OAVXFEUMNNQVRJ-KGLIPLIRSA-N	317.520	3.586	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1OCC1CC1	113430283	HMJMQNYBABEOBE-UHFFFAOYSA-N	318.323	3.511	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccccc1C(F)(F)F	114886386	ODMVELKFYUHLGI-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCCCCCOc1ccc(/C=C(\C#N)C(N)=C(C#N)C#N)cc1	119881677	URUNZLMPDOWULU-LFIBNONCSA-N	320.396	3.813	50	20	DHGD	
Cc1csc(C2(NC[C@@H](C)CBr)CCCC2)n1	134001044	ITZOCHDDTYRZCP-JTQLQIEISA-N	317.296	3.841	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C#N)cc1)c1ccc(Cl)cc1	155403108	RJYZSEDXKKRHEY-UHFFFAOYSA-N	313.788	3.633	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1	159310894	WVDIEKVBRGLOER-ZIAGYGMSSA-N	316.351	3.828	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@H](C)c2c(C)noc2C)c1	161123347	ZVLCDFFWGFTTOA-LBPRGKRZSA-N	301.390	3.545	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1)C(=O)c1ccc(F)c(Cl)c1	179605704	CUUUHPZSBPQDRL-WUXMJOGZSA-N	301.704	3.975	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)Nc1ccncc1	180563226	MFIQERQYPXETTM-VZUCSPMQSA-N	318.163	3.934	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccnc1C)c1ccccc1	188581342	ONNPGJUNSZKTSQ-XUDLPTGHSA-N	305.381	3.565	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C/c2ccccc2C)cc1	188609064	SNYDLOYMLRYCEN-GYZOOYGHSA-N	320.392	3.788	50	20	DHGD	
N#C/C(=C/c1cc(Br)ccc1F)C(=O)c1ccco1	212654381	PEBVFZREZLWEPU-POHAHGRESA-N	320.117	3.971	50	20	DHGD	
N#C/C(=C/c1cnc(C2CCCC2)s1)C(=O)NC1CCCC1	255827694	GIVBVLSCKCEYMM-LCYFTJDESA-N	315.442	3.766	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(Cl)c(O)c(OC)c1	255880993	BJEQKPRESZMWPZ-WUXMJOGZSA-N	307.777	3.966	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(OC)ccc1OC(F)F	264824357	GFCBJHBCYXPJCU-CEXMDJMXSA-N	309.312	3.819	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H](C)CCc2cccc(F)c2)cc1	267012718	OULQVADBUIJAQC-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccc(F)cc2)[C@H]1[C@H]1CCCO1	289980143	XTRIZTPSYSHTKS-PETGEZQVSA-N	300.377	3.580	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(C(F)(F)F)s1	491053806	ZDJNCGXWYLNUKU-VQHVLOKHSA-N	302.321	3.590	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@H](C)C1CCCCC1	725908154	BHTOZXQTDHQSRS-AWEZNQCLSA-N	317.433	3.754	50	20	DHGD	
N#CCCN(CC1CC1)C(=O)CCCC[C@@H]1CCSS1	728870701	YOTBYXVNPQIDLK-CQSZACIVSA-N	312.504	3.853	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)C(C)(C)c2ccccc2)o1	731151392	YOWIOZHCTMEBGZ-BBRMVZONSA-N	310.397	3.831	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)c1C	731156864	OADQEXSGABMTLQ-GDNBJRDFSA-N	320.348	3.547	50	20	DHGD	
O=C(NN=C1CCSc2c(Cl)cccc21)C1CCCC1	731925528	IUMDINYZJJDZNP-UHFFFAOYSA-N	308.834	3.846	50	20	DHGD	
O=C(CCC1CCCCC1)NNc1ncccc1C(F)(F)F	740099891	GTWHNMREJFPWHU-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
COC(=O)c1occc1/C=C(/C#N)c1nc(C(C)C)cs1	747437678	VTIWWOGUKAWMAH-WDZFZDKYSA-N	302.355	3.710	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C	751169722	WHIZFAZDYVMSJS-WFASDCNBSA-N	319.357	3.747	50	20	DHGD	
C/C(=C/C(=O)NNc1nc(C(F)(F)F)cs1)C(C)(C)C	762833972	YFQPLHGCNXOVOF-ALCCZGGFSA-N	307.341	3.597	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1occc1C	767753051	HVGXLZLJCNLGIH-UHFFFAOYSA-N	300.402	3.645	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(Cl)c(F)c1	775513295	VYWABIXNFUPUTA-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H](F)Cc1ccccc1	778392898	VNWZQXUXMNHBQG-AWEZNQCLSA-N	310.731	3.503	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cc(C(F)(F)F)c1)C1CCC1	780225114	KUGGMMUQVGDYPR-UHFFFAOYSA-N	304.699	3.609	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCc1nc(-c2ccccc2)cs1	786670396	QQBKQZXXVBHWIO-RIYZIHGNSA-N	310.378	3.713	50	20	DHGD	
CC[C@H](C)CC(=O)NNC(=S)Nc1ccccc1C(C)C	791120257	FFPWXLVWFNBELM-LBPRGKRZSA-N	307.463	3.564	50	20	DHGD	
C=C(CBr)CN1CCC[C@](C)(c2ccccc2)C1	791458718	LOHPUENBXRFMHO-INIZCTEOSA-N	308.263	3.991	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccoc2)cc(Cl)c1OC	798229905	IQVNTSWWFNIZBE-LFYBBSHMSA-N	317.728	3.740	50	20	DHGD	
O=C(O)CCCCC(=O)NN(c1ccccc1)c1ccccc1	808506663	OOPQSDNLDOYGRA-UHFFFAOYSA-N	312.369	3.501	50	20	DHGD	
CN(Cc1ccc(OCCCCl)cc1)C[C@@H]1CCCCO1	811458402	UPECDSITSNKOEK-KRWDZBQOSA-N	311.853	3.695	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)c1ccc(C)s1	812241833	NMUHKTPVGDCFDI-GHXNOFRVSA-N	301.342	3.994	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2c([nH]1)CCCC2	827148598	MEERJSGATGIINN-UHFFFAOYSA-N	323.318	3.669	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(C)C)cc2)cc(Cl)n1	837059712	XYZXZPAVKMRJEK-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC[C@@H]1C[C@@H](C)O[C@@H]1C	840430383	NULXXLOWSPMBLL-KFWWJZLASA-N	319.449	3.558	50	20	DHGD	
CC[C@@H](CC(=O)N(C)CC(Cl)Cl)c1ccc(OC)cc1	848082774	WWELFBVUQAEAHS-NSHDSACASA-N	318.244	3.841	50	20	DHGD	
N#C/C(=C\c1ccc(O[C@H]2CCOC2)cc1)C(=O)C1CCCC1	849180098	XAPRBNPGGQQBLJ-FYXHJSOBSA-N	311.381	3.521	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CC[C@@H](C2CCCCC2)C1	855636765	PNKVKHUOSUMJEC-ZCWPUFOUSA-N	324.424	3.728	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)C1CCC2(CC1)CC2	857134313	OXAZZTWMTIJDNG-UHFFFAOYSA-N	313.323	3.514	50	20	DHGD	
Cc1csc(C(=O)NNC(=O)Nc2ccc(C(C)C)cc2)c1	860239591	PCPSNQJTQXEZGA-UHFFFAOYSA-N	317.414	3.646	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	885110480	FDKACDBMBJYUTD-RKDXNWHRSA-N	322.277	3.777	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)CCc2ccoc2)C1	912582682	PUVDMJMTGJPXSY-OAHLLOKOSA-N	323.509	3.835	50	20	DHGD	
CC(=NNC(=O)COc1cccc(C)c1)c1cc2ccccc2o1	915928663	NWGDNRBNBKPONA-UHFFFAOYSA-N	322.364	3.660	50	20	DHGD	
CO[C@@H]1CCCCC1=NNC(=O)c1cc2c(s1)CCCCC2	915956473	UGQKYMBVNWADOH-CQSZACIVSA-N	320.458	3.692	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(-c2cnn(C)c2)cc1	1321073207	MNIPDNIYYXYRAR-LICLKQGHSA-N	307.397	3.999	50	20	DHGD	
O=C(NN=C1CCCc2cc(O)ccc21)c1ccccc1Cl	1338176831	PPHJUKRVXZSAJC-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cccc(C#N)c2)cc1	7765939	VOGOMMWWWMQOJO-VCHYOVAHSA-N	302.333	3.517	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)N[C@@H](C)CCCC(C)C	42930360	BOVZRESVGGBXGD-AWEZNQCLSA-N	320.437	3.546	50	20	DHGD	
CCOc1c(Cl)cc(C(=O)NNc2ccccc2)cc1OC	70716208	UNJSHSJYGRTRPN-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1cccc(-c2ncco2)c1	93093093	AHJDWOWKQMMBQP-UHFFFAOYSA-N	312.304	3.629	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2ccccc2Cl)cc1C	93094009	UTGKAUOQVMRGTR-UHFFFAOYSA-N	317.776	4.000	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@@H](CC)c1ccccc1)c1ccccc1	110343397	AFOFKAFABUDREI-ROUUACIJSA-N	324.424	3.521	50	20	DHGD	
CCOc1ccccc1[C@H](CC)NC(=O)NNc1ccccc1	114952229	OAYDDYDNIVOWTM-INIZCTEOSA-N	313.401	3.863	50	20	DHGD	
Cc1c(C(=O)NNc2cc(F)c(F)cc2F)oc2ccccc12	115720537	TXKIEJMWYBXJOA-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1cc2cc(F)ccc2o1	117972984	UXOGNVMHMOOVNL-UHFFFAOYSA-N	321.311	3.877	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(OC)s2)cc1	121750575	ZOCUXGUPUUNBQS-JLHYYAGUSA-N	312.394	3.865	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2c(OC)cccc2OC)c1	121793147	NCJXNYVAZZQRGT-SDNWHVSQSA-N	323.348	3.502	50	20	DHGD	
Cc1ccc(F)c(C(=O)NNc2ncc(Cl)cc2Cl)c1	132524423	XEBZZUKKCBEFSL-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
O=C(CCc1ccc2[nH]ccc2c1)NNc1ccc(F)cc1F	181481314	AQJXTMRBZUWUSR-UHFFFAOYSA-N	315.323	3.522	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCCc3c(O)cccc32)c1	190820626	OWSQFJMXIDBEDR-KRWDZBQOSA-N	310.397	3.572	50	20	DHGD	
CC(C)(C)c1ncc(/C=C\C(=O)NNc2ccc(F)cc2)s1	255558095	UKLJPNXACOVXIT-HJWRWDBZSA-N	319.405	3.736	50	20	DHGD	
O=C(NNc1ccc(Cl)nn1)Nc1ccc(C2CCC2)cc1	278845144	FFUPAANUPHHONY-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
CC[C@@H](C)Oc1cccc(NC(=O)NNc2cccc(F)n2)c1	286984990	KMSLIRLHYXJRBG-LLVKDONJSA-N	318.352	3.547	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(NC(C)=O)c1	293891371	JJIFZQOEQJCVLM-ZDUSSCGKSA-N	305.422	3.695	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)/C=C\c2cccc(O)c2)cc1	492665443	BJKMQXFJLACPKR-GHXNOFRVSA-N	310.397	3.846	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1cccc(OC(F)F)c1	728434097	RYTNOALVUWBSSG-RNUYZFPXSA-N	316.307	3.717	50	20	DHGD	
N#C/C(=C\c1occc1Br)C(=O)c1ccsc1	735304225	HSDOCPRCHDWFIV-WEVVVXLNSA-N	308.156	3.893	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H]2CCC[C@H](C)C2)c(Cl)c1	743825476	NIXAAFYAJQPTEZ-CMPLNLGQSA-N	323.824	3.627	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H]2C[C@]2(C)c2ccccc2)c(C)c1	745857381	KBRUHVLMFJHTEQ-YLJYHZDGSA-N	323.440	3.968	50	20	DHGD	
Cc1cccc(C)c1C(=O)NNc1ccccc1Br	748058532	FMVOUVXZFUBXBQ-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)C1	748730695	RPYCKHZPRVWIHT-NXEZZACHSA-N	311.769	3.518	50	20	DHGD	
CCC(=NNC(=O)CCc1ccccc1)c1ccc(OC)cc1	749744631	DUAUCVIVIAXVEN-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
Cc1ccccc1N1CCN(/C(=C\C#N)c2ccc(F)cc2)CC1	750790664	DRNGUVYIOVRTKN-JMIUGGIZSA-N	321.399	3.821	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc2n[nH]cc2c1	752810774	FTMSRLOZGFZHNP-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1oc2ccccc2c1C=NNC(=O)Cc1ccc(F)cc1	758096555	VYPUAMUACYCCRZ-UHFFFAOYSA-N	310.328	3.573	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1OC(F)F)c1ccncn1	758913651	RXPKUKWVOPHTCG-BJMVGYQFSA-N	307.687	3.796	50	20	DHGD	
Cc1cccc2c1CN(C(=O)/C(C#N)=C\c1ccc(F)cc1)CC2	760668321	QMEOQZHCZCDGOC-BOPFTXTBSA-N	320.367	3.626	50	20	DHGD	
CC(C)[C@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	768165211	GKQYJGYENXAZNP-VXGBXAGGSA-N	304.272	3.833	50	20	DHGD	
CC(C)CC(=O)NNC(=O)C12CC3(C)CC(C)(CC(C)(C3)C1)C2	771859084	NEAPBWYICHWZMR-UHFFFAOYSA-N	320.477	3.567	50	20	DHGD	
O=C(NNc1ccccc1F)[C@@H]1CCc2c(Cl)cccc21	775781922	ZTBCBOFYPRZSFV-GFCCVEGCSA-N	304.752	3.652	50	20	DHGD	
Cc1ccc(C)c(CC(=O)NNc2nc3ccccc3cc2C)c1	777478964	PJTQBHFBFSYAMJ-UHFFFAOYSA-N	319.408	3.846	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)c1nc(-c2ccccc2)no1	782181126	XBVLCPFTSMHLQT-FLIBITNWSA-N	324.321	3.770	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)CCc1ccccc1O)C1CC1	787154156	GKNZIRRIQYIXCY-UHFFFAOYSA-N	302.418	3.643	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788407192	FCPOIWJUWJTDEY-WDEREUQCSA-N	319.817	3.706	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccsc2Cl)c(C)c1	790151074	DBDSHUXBNRMTNL-UHFFFAOYSA-N	321.833	3.581	50	20	DHGD	
C=C(CBr)CN[C@H]1C[C@H](OCC)C1(CC)CC	791493501	MPESABZUZIRUMF-STQMWFEESA-N	304.272	3.511	50	20	DHGD	
CN(C)Cc1cnc(/C=C(/C#N)c2ccc3ccccc3n2)s1	794700080	OWNPIWKJPHDFNA-ZROIWOOFSA-N	320.421	3.817	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)C(C)(C)CC	794873805	HLZGZCXMGRJKQD-UKTHLTGXSA-N	316.357	3.906	50	20	DHGD	
N#C/C(=C/c1ccc(SC(F)F)cc1)C(=O)C1CCOCC1	794958689	NSGWNZSZMOBNDZ-LCYFTJDESA-N	323.364	3.904	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCC[C@H]3OCC[C@@H]23)cc1	798188058	XYNSIGAVXDGZIS-RCCFBDPRSA-N	323.864	3.742	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	802015250	GQVIJYMZVLQXGI-GDNZZTSVSA-N	323.824	3.565	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3ccc4ccccc4n3)cn2c1	807198606	UARABZMNIVNGLN-UHFFFAOYSA-N	316.364	3.553	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cn(C)nc2C(F)F)c1	812241190	FEEUXSWSCHMFPP-NTUHNPAUSA-N	315.323	3.764	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC1(C)CCOCC1	813095605	XVWHDPHNWNHTBC-UHFFFAOYSA-N	319.449	3.561	50	20	DHGD	
COc1cc(C(=O)NN=CCCC(C)C)ccc1OC(C)C	814755318	BKZRNMJNTLUMSV-UHFFFAOYSA-N	306.406	3.634	50	20	DHGD	
CC(C)CC1(C(=O)NNc2nc3ccccc3n2C)CCCC1	816577665	VOZKSZQSSIBJAP-UHFFFAOYSA-N	314.433	3.623	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)CC1	834925850	SBGUIQCWVKZNRE-UHFFFAOYSA-N	313.445	3.779	50	20	DHGD	
CCC[C@@H](C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834933422	PGHDNQJIJOYWQH-JTQLQIEISA-N	303.189	3.524	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1cccc2ncccc12	842527958	NNNJEDFABRCSEC-UHFFFAOYSA-N	303.312	3.530	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@H]1C[C@@H]1C1CC1	846376914	JWBBOGISRBZHMP-ZJUUUORDSA-N	318.726	3.848	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCN2CCCCC2)C1	852521731	ALOCEVKZSGNAGO-INIZCTEOSA-N	312.574	3.568	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1ccc(O)cc1Cl	855136911	JNXOACFNARIHKR-JTQLQIEISA-N	320.614	3.794	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(C)c(F)c1)c1ccc(OC)cc1	856230636	WOVNFUGVXLRMPX-INIZCTEOSA-N	316.376	3.780	50	20	DHGD	
O=C(CCC1CC1)NNc1ccc(Cl)cc1Br	856232305	JJOBUPOFTWCOLZ-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
N#C/C(=C/C=C/c1cccc(F)c1)c1nnc2n1CCCCC2	901419278	YCJNECKBDLEFJG-JZOQAJJYSA-N	308.360	3.764	50	20	DHGD	
Cc1cccnc1NNC(=O)/C=C\c1cc(Cl)cc(Cl)c1	1324515852	CHVMYADBYVEDPG-PLNGDYQASA-N	322.195	3.853	50	20	DHGD	
CN1CCCN(C(=O)C2CCC(Cl)CC2)c2ccccc21	1521034620	WYSDBVNRHSNEHF-UHFFFAOYSA-N	306.837	3.657	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2cccc(C#N)c2)c1C	14177742	NQRJDFAYYZCDFX-WOJGMQOQSA-N	315.376	3.953	50	20	DHGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	71958050	BGGYMHSTWQKYTO-WZUFQYTHSA-N	301.283	3.629	50	20	DHGD	
CCOC(=O)NNC(=O)Nc1c(C(C)C)cccc1C(C)C	91984252	OVBRRJJCFXJQRG-UHFFFAOYSA-N	307.394	3.716	50	20	DHGD	
Cc1ccc(-c2nc(C)c(C(=O)NNc3ccccc3)s2)o1	111550764	VWBXNEYVBAETLS-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(/C#N)c2ccccn2)c1	112561743	IOANVDOYGGYVRJ-WQLSENKSSA-N	302.280	3.756	50	20	DHGD	
Cn1c(C(=O)NNc2ccc(Cl)cc2)cc(Cl)c1Cl	120077522	AUSODSCDEPISOI-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(OC(F)F)cc1)C(C)C	122903354	GVSTWUIHOAUBOF-NSHDSACASA-N	300.349	3.803	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)ccc1[N+](=O)[O-]	128423387	DIWDZINEIRSEML-WDZFZDKYSA-N	316.700	3.940	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C\c3ccnn3C)n2)cc1	141610376	JJCDABDEDCUOLS-LCYFTJDESA-N	322.393	3.616	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNc2nc(C(F)(F)F)cs2)C1	152877108	ZEHYBYWHXIWJPE-DTWKUNHWSA-N	321.368	3.821	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2occc2-c2ccccc2)cc1	155208545	XSOJXPWHIMRHIU-UHFFFAOYSA-N	303.321	3.575	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1CCCc2sccc21	158214648	NFIDFVZTDJJDTQ-NSHDSACASA-N	306.818	3.965	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c(C(C)C)nn(C)c2Cl)c1	159092210	BVVVDDVEAGJVHR-UHFFFAOYSA-N	320.824	3.571	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1ccc2ccccc2n1	181149413	MABUOEILFKQOBU-UHFFFAOYSA-N	319.408	3.964	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2ccc(C3CCC3)cc2)c1	189681605	YFQAYAPWUSURQK-UHFFFAOYSA-N	314.360	3.859	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1cccc(C(F)(F)F)c1	192097038	SKYYLNNOBMMNPW-UKTHLTGXSA-N	317.332	3.785	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)c(OC)c1	207538444	AFJNVBQQQFXJHM-LCYFTJDESA-N	311.312	3.633	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)cc1	280872298	AQJWLWQETJUKEG-OQLLNIDSSA-N	308.385	3.627	50	20	DHGD	
C[C@@H](CC(=O)NNc1cc(C(F)(F)F)ccn1)c1ccccc1	295477570	YVCOCSCQPJDDOZ-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
CC1CCC(N(C(=O)/C(C#N)=C/c2ccc(O)cc2)C2CC2)CC1	588515756	BPYLTIJYGFGOTI-FOWTUZBSSA-N	324.424	3.869	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2cccn2C)oc2ccc(C)cc12	725847364	IXTRKOSJWGXRCQ-UHFFFAOYSA-N	323.396	3.796	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(O)c(Br)c1	726430195	PZPZYYLEAYCYHG-NJQKBMNKSA-N	308.175	3.677	50	20	DHGD	
C[C@@H]1CCCC1=NNC(=O)CSc1nc2ccccc2s1	729140245	CGUITUGVGHNAGB-SNVBAGLBSA-N	319.455	3.681	50	20	DHGD	
CCc1ccsc1C(=O)NNc1nccc2sccc12	734246998	PXNVULUKPPQHCU-UHFFFAOYSA-N	303.412	3.677	50	20	DHGD	
CC(C)=C[C@H]1[C@H](C(=O)NNc2cccc3cnccc23)C1(C)C	748763958	OIGFLAIKKMFACV-DOTOQJQBSA-N	309.413	3.916	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cc2ccccc2o1	749823478	LBLCIYRRVUMRRJ-BARDWOONSA-N	308.381	3.975	50	20	DHGD	
N#C/C(=C/c1ccc(Oc2cnccn2)cc1)C(=O)c1ccoc1	752887223	KBWBPGJVQWFTLG-DHDCSXOGSA-N	317.304	3.652	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1	753317923	ZWYAHERPKRUBBN-NSHDSACASA-N	305.809	3.871	50	20	DHGD	
C=CCCC(C)=NNC(=O)c1ccc(OCCC)c(OC)c1	758085047	RCRUCGHTOOPMMF-UHFFFAOYSA-N	304.390	3.556	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cccc([C@H]2CCOC2)c1	762003753	QYOONXVTNNXEKV-AWEZNQCLSA-N	316.788	3.601	50	20	DHGD	
CC(C)(C(=O)NN=Cc1c[nH]c2cccc(F)c12)c1ccccc1	763361768	ABHXDLVVMGJGKQ-UHFFFAOYSA-N	323.371	3.735	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C1(CC)CCCCC1)c1ccccc1	763467854	UHJXSUNUXHTIKT-INIZCTEOSA-N	316.445	3.688	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC(C)(C)C[C@@H]1C	766029452	LIIXSMROWSGCCT-LBPRGKRZSA-N	320.458	3.716	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1cccc(-n2cccc2)c1	770014111	OIZDITGNQPBNDW-UHFFFAOYSA-N	310.332	3.765	50	20	DHGD	
C[C@H](CBr)COC(=O)CCCc1ccsc1	770416713	WMYKPRADTIESBC-SNVBAGLBSA-N	305.237	3.645	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CC[C@@H](C)C2)ccc1Br	776475048	FVZNAAJHANAZLP-KOLCDFICSA-N	311.223	3.637	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])s1)C(=O)c1ccccc1F	782181389	ZVTKNGIFWNDXBL-CLFYSBASSA-N	302.286	3.585	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNc1cccc(F)c1[N+](=O)[O-]	790585948	LDBBKOJNVWQBBX-NSHDSACASA-N	311.357	3.784	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](c2ccccc2)C[C@@H]1C	790880665	WDECEHUYEYPGHB-JSGCOSHPSA-N	310.488	3.585	50	20	DHGD	
CSSCCNC(=O)CCc1c[nH]c2cc(C)ccc12	791095855	RLEABRLUMFAUEY-UHFFFAOYSA-N	308.472	3.536	50	20	DHGD	
CC(C)(CC(=O)NNC(=O)c1ccccc1F)C1CCCCC1	792788513	ANKFMFLZAKTZGD-UHFFFAOYSA-N	320.408	3.583	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CC[C@@](C)(c3ccccc3)C2)n1	794566505	LLNVWFAADAHGQK-LJQANCHMSA-N	307.397	3.618	50	20	DHGD	
CCOC(=O)NN=CC(c1ccc(F)cc1)c1ccc(F)cc1	799865754	WHYYBZDNQGPZLX-UHFFFAOYSA-N	318.323	3.829	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3cccc4cnccc34)cn2c1	807122336	XFUXXIRHJQLXCU-UHFFFAOYSA-N	316.364	3.553	50	20	DHGD	
C[C@@H](NC(=O)CCCC[C@H]1CCSS1)C(F)(F)F	807895631	JWRVFHBYGBVUMP-BDAKNGLRSA-N	301.399	3.768	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3cccc(C#N)c3)sc12	809730624	WCNIVARCQQFLJI-UHFFFAOYSA-N	307.378	3.838	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)C[C@H]1CCOC1	813100633	IMMFXGUIVCERKY-LSDHHAIUSA-N	319.449	3.560	50	20	DHGD	
CC(C)(C)CC(=O)NN=C1CCC(c2ccc(O)cc2)CC1	814834489	IKAXAGTZQMQEPH-UHFFFAOYSA-N	302.418	3.958	50	20	DHGD	
CCCN(N=Cc1nc2c(s1)CCC2)C(=O)OC(C)(C)C	814927286	GHRUGYUWWAPIHI-UHFFFAOYSA-N	309.435	3.613	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)Nc1cc(F)cc(F)c1	815006582	XVWYSXPGAZDJCH-CYBMUJFWSA-N	320.343	3.792	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@@H](CC(F)(F)F)C1	817281748	OPJFDEYSZSYGDD-ZJUUUORDSA-N	302.178	3.682	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCC[C@H]1CC1(Cl)Cl	820571221	HHDFSJJAZHYRGR-RPHSKFLZSA-N	310.180	3.721	50	20	DHGD	
Cc1ccc(NNC(=O)CCCc2ccccn2)c(Cl)c1	836936864	SEKXRZJCVJXLAH-UHFFFAOYSA-N	303.793	3.509	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cccc(C(=O)OC)c1F	837060105	ILFBBYMODUUHAZ-UHFFFAOYSA-N	324.396	3.662	50	20	DHGD	
CC(C)CCCCC(=O)NNc1ccc(Br)nc1	839679783	CUWLRXFQJOOBDI-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1csc(-c2ccccc2)n1	841619734	QTTQRPBJSGUVKB-LLVKDONJSA-N	301.415	3.696	50	20	DHGD	
Cc1ccc(NNC(=O)CC[C@@H]2CC2(Cl)Cl)cc1F	856233537	QNHWNFDWPNBMMN-SECBINFHSA-N	305.180	3.551	50	20	DHGD	
COc1ccc(C=NNC(=O)c2ccccc2F)c2ccccc12	915941536	QAUAFUMFTPWQGD-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)c1cccnc1	916252720	LWHMCTSCBVSREL-UHFFFAOYSA-N	311.429	3.794	50	20	DHGD	
COc1cccc2cc(C(C)=NNC(=O)c3ccccc3C)oc12	916362086	OKVXAHBOIRLIMI-UHFFFAOYSA-N	322.364	3.904	50	20	DHGD	
CC(CCc1ccc(F)cc1)=NNC(=O)Cc1ccc(F)cc1	917539713	DJXYXYPLSWRNSG-UHFFFAOYSA-N	316.351	3.632	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C1CCC(F)(F)CC1	928340417	RFOFSZNZTUATAO-UHFFFAOYSA-N	302.752	3.917	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1Cc2ccc(O)cc2C2(CC2)C1	1327634756	NYABUHGKGMXCAB-GXHLCREISA-N	320.367	3.943	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)c2ccccn2)cc1OCC	7155357	VIBOZIKUSQWXLD-FOWTUZBSSA-N	304.349	3.556	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1	65999603	DILNYPRACQEZJJ-PTNGSMBKSA-N	307.374	3.858	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Oc3cccnc3)cc2)c1	67916613	QETLDMLZJHKHFF-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CSc1ccc(O[C@@H](C)C(=O)NNc2cccc(C)c2)cc1	77612805	VDPWVPGLMICQQF-ZDUSSCGKSA-N	316.426	3.628	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cc(C)ccc2F)cc1	116609030	NETJXEUETQARNH-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
O=C(Cc1cc(F)ccc1F)NNc1cccc2c1CCCC2	120202345	QZDKCYGGLXNOMP-UHFFFAOYSA-N	316.351	3.529	50	20	DHGD	
CCC(CC)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	124859441	VFUUERVEAVTOTD-UHFFFAOYSA-N	318.339	3.897	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(-c3ccccc3)on2)c1	127760317	IKOOFGSQIPGDPE-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CC(C)COC[C@@H](NC[C@H](C)CBr)c1ccco1	152822986	YOANZCVVSJBBTB-CHWSQXEVSA-N	318.255	3.614	50	20	DHGD	
COCCC(C)(C)CNC(=O)CCCC[C@H]1CCSS1	185706588	JIWXCWURRBXLLO-ZDUSSCGKSA-N	319.536	3.879	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(C)cc2)cc1	193221799	FGICSRDXTTYYFE-BRYHAGSVSA-N	320.392	3.788	50	20	DHGD	
CCC1(C(=O)NNc2ccc(C(C)(C)C)cc2)CCOCC1	272525027	AJCCOJMOHORXLI-UHFFFAOYSA-N	304.434	3.634	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCCC2)cc1)C(=O)[C@H]1CCCOC1	280855519	BUAGJRGZIICRRL-XIDKLXSXSA-N	324.424	3.580	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)F)ccc1OC(F)F	296053254	WPEMXXILKCRVBF-UXBLZVDNSA-N	313.275	3.521	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1cccs1	490910365	QSHRHPQNWWCFCN-QBOMHBFWSA-N	324.405	3.724	50	20	DHGD	
BrC[C@H](CN1CCc2ccsc2C1)C1CC1	711825740	KECFMJXXLOIKBQ-GFCCVEGCSA-N	300.265	3.527	50	20	DHGD	
O=C(Cc1cccnc1)NN=Cc1cc(-c2ccccc2)cs1	728786502	JYEGDKVXOJCYGC-UHFFFAOYSA-N	321.405	3.503	50	20	DHGD	
COc1ccc(NNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1	729274145	QUUGGCYHNPWRJD-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
Cc1ccc2c(c1)C(=NNC(=O)c1c[nH]c3ccccc13)CC2	730945874	TZZXLGDWCUNFNZ-UHFFFAOYSA-N	303.365	3.557	50	20	DHGD	
C[C@]1(C(=O)NNc2c(F)cccc2F)CCc2ccccc2C1	743454857	FKXFYLHDWHWWMQ-SFHVURJKSA-N	316.351	3.603	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccc(-c3ccccc3)cc2)nn1	743807491	GBJQAOWEGMMQFW-UHFFFAOYSA-N	319.368	3.601	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2cccc(F)c2)o1	748098800	BFPAXWLUPOWTBN-NHYWBVRUSA-N	302.349	3.618	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)C12CC3CC(CC(C3)C1)C2	755518722	NECTXSWCBQKELW-UHFFFAOYSA-N	310.441	3.970	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2cc(C)ccc2C)cc1C	778392328	LMOGJEIOLHVWCF-ZDUSSCGKSA-N	300.406	3.536	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cc(C(=O)O)cs3)[nH]c12	782200764	NUNBWARXNILRLO-YHYXMXQVSA-N	309.350	3.695	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCCC2(CCCC2)C1	783853291	UUOSFJNDVLBLOC-GFCCVEGCSA-N	316.283	3.979	50	20	DHGD	
CCCc1cccc(C(C)C)c1NC(=O)NNc1ncccn1	788312388	XZMAWSFGSGMXHP-UHFFFAOYSA-N	313.405	3.701	50	20	DHGD	
C#CCC1(C(=O)NNc2ccc3ccccc3n2)CCCCC1	788525525	KNWKBDXQYRBIKF-UHFFFAOYSA-N	307.397	3.652	50	20	DHGD	
C=C(CBr)CN(Cc1cccc(F)c1)C(C)C	791445402	OOVXXILNVXARFS-UHFFFAOYSA-N	300.215	3.987	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C[C@H]3CCCSC3)cc2C1	794880307	DBOUFVMXSNOHOZ-VXGBXAGGSA-N	322.499	3.732	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCF)c1cccc(OC(F)F)c1	794905570	VPEHDXFNYYWTOT-SNVBAGLBSA-N	314.307	3.534	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)c1ccc(CC)cc1	795493423	NDUYXXDIJSNVKP-GFCCVEGCSA-N	311.219	3.847	50	20	DHGD	
Cn1cnc(/C=C(\C#N)c2nc3cc(Cl)ccc3s2)c1	798230835	CLHYUFAASXWGHK-RUDMXATFSA-N	300.774	3.747	50	20	DHGD	
N#CSCCCNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12	816538911	LYEGBLYTSRBOLY-IRXDYDNUSA-N	310.422	3.664	50	20	DHGD	
COc1cc(NNC(=O)C2(C(F)(F)F)CCC2)ccc1Cl	830804186	XCWRKFYOJBLTMR-UHFFFAOYSA-N	322.714	3.524	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccccn1)c1ccc(Cl)cc1	831749883	KLMNLHVSDLZGDW-AWEZNQCLSA-N	303.793	3.762	50	20	DHGD	
COCC(C)(C)CCCNC(=O)NNc1ccc(C(C)C)cc1	838591378	FOWYFKQWXCXELR-UHFFFAOYSA-N	321.465	3.889	50	20	DHGD	
Cc1nsc(N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897195	ZUIMCRPQBXBUTH-GFCCVEGCSA-N	313.543	3.837	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2cc(F)ncn2)C1	853897891	VGLLXZQKYPENRM-LBPRGKRZSA-N	311.477	3.606	50	20	DHGD	
CCCC[C@](C)(F)C(=O)Oc1ccc([N+](=O)[O-])c2ncccc12	857607084	QAJRDYXODCIUHG-INIZCTEOSA-N	320.320	3.967	50	20	DHGD	
C[C@H](CC(=O)NNc1ccccc1C(F)(F)F)c1ccco1	858279379	ZQHQNRAJKQWVCX-SNVBAGLBSA-N	312.291	3.935	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ncsc1C(C)C	885127459	RYSBKTXOQFGLTN-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2cccc3cccnc23)C1	901181481	ALBZXVVZBSSHIR-CQSZACIVSA-N	313.426	3.626	50	20	DHGD	
Cc1nn(C)c(/C=C(\C#N)c2nc(C3CC3)cs2)c1Cl	901523100	CMPQIXYOTZLAJD-BJMVGYQFSA-N	304.806	3.780	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccc(OC(F)(F)F)cc1	915933979	OFYMWOQVXBAZAQ-UHFFFAOYSA-N	322.286	3.739	50	20	DHGD	
O=C(NN=C1CSCc2ccccc21)c1ccc(Cl)cc1	915936085	OHOVXXAVYQKGPA-UHFFFAOYSA-N	316.813	3.721	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1Cl	916280626	IOGIBFNHMDJFDL-UHFFFAOYSA-N	315.804	3.560	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccc2c(c1)CCC2	916288071	UOHNWSGQRNRLDS-UHFFFAOYSA-N	317.392	3.811	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)Nc1ccc(Cl)cc1	917516627	ZHEOCTGWIBPNLP-GXDHUFHOSA-N	324.767	3.821	50	20	DHGD	
Cc1cc(C)cc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)c1	921257133	OCWJHQBONPNDJY-KRWDZBQOSA-N	324.424	3.838	50	20	DHGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2ccc(Cl)cc2C)n1	928336696	YXXWVGYCYFMTKM-ZDUSSCGKSA-N	320.824	3.556	50	20	DHGD	
O=C(NN=Cc1c(F)cccc1Cl)c1ccccc1Cl	1084531821	BGWMURABJURFTB-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCCc2ccccc2CC1	1263838184	VTGQHMCIRDIJLD-UHFFFAOYSA-N	305.849	3.802	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3ccccc3F)CC2)cc1Cl	1318973452	YENZSRCHZVYYEW-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(C)c(Cl)c2)CCO1	1319988088	USOKKSNCDYNIDE-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ccc(C)c(Cl)c1)C(C)C	1322390607	IVNMZSCCXYMMSI-CYBMUJFWSA-N	300.855	3.869	50	20	DHGD	
Cc1ccc(NNC(=O)c2ncc(Cl)s2)cc1Cl	1324968100	VLNXDYHVMCAIMO-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
O=C(Nc1ccc2oc(=O)ccc2c1)C1CCC(Cl)CC1	1527472971	DCQVZOMQACXZFA-UHFFFAOYSA-N	305.761	3.529	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NC2CCCCCC2)cc1	5712597	DIIBGUBQTGYUIC-DTQAZKPQSA-N	312.413	3.831	50	20	DHGD	
CCc1cccc2c(/C=C(\C#N)C(=O)NC3CCCC3)c[nH]c12	6959334	JWFFRYRDDLUHER-GXDHUFHOSA-N	307.397	3.696	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1C	111677252	ILJFDCJFKFJQFA-VBKFSLOCSA-N	306.365	3.939	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cnc(-c2ccc(C)cc2)s1	114991262	BMNIZVJOHQHCHH-ZROIWOOFSA-N	310.378	3.755	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@H]1CCCc2sccc21	136604852	HDNKMGIWJQLBSE-LBPRGKRZSA-N	323.368	3.730	50	20	DHGD	
CC(C)(C(=O)NNc1ncccc1Cl)c1cccc(Cl)c1	151832054	NHHDMWPTSUNSEE-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cc(O)ccc2[N+](=O)[O-])c1	157271506	AQVPYIUIMVXKEC-OVCLIPMQSA-N	322.320	3.707	50	20	DHGD	
CSc1ccc(O[C@@H](C)C(=O)NNc2ccc(C)cc2)cc1	158895199	QWEHYBLHMQFCGJ-ZDUSSCGKSA-N	316.426	3.628	50	20	DHGD	
Cc1cc(Cl)cc(C(=O)NNc2cc(F)c(F)c(F)c2)c1	159854989	HFRNYSBQLCEAAI-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)cc1	179706100	WMPDRZJERAQURG-RVDMUPIBSA-N	305.333	3.556	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cc(F)c(O)c(F)c2)ccc1[N+](=O)[O-]	180573020	PUGBFKREMKUOJD-XGICHPGQSA-N	316.263	3.951	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)c1nc(-c2ccncc2)cs1	194580471	NVXGMPSXWUPESH-NTUHNPAUSA-N	308.366	3.874	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1cc2ccccc2o1	206205808	XHVHVFMJYZMCIJ-WAYWQWQTSA-N	300.745	3.764	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccn(C(CC)CC)n1	281656932	CBVLDPUOGUNJDG-UHFFFAOYSA-N	314.433	3.872	50	20	DHGD	
COCCOC(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	302640062	OGVWQGWGPPACQU-NTMALXAHSA-N	321.785	3.651	50	20	DHGD	
C[C@H](O)C[C@@H]1CCCCCN1C(=O)c1cccc(CCl)c1	313957207	BBPFCLBKFRFIPX-BBRMVZONSA-N	309.837	3.581	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)Nc1ccc(Cl)cc1	490690821	DQBJGNKXSWSBQY-FMIVXFBMSA-N	314.776	3.663	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1nccc2sccc12	734250114	QPAZFMFNGXPNGP-SNVBAGLBSA-N	309.460	3.661	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H]1CC[C@H]2CCCC[C@H]2C1	735756005	MHYHUUGYZJHIDK-FRRDWIJNSA-N	323.387	3.950	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1cccc(C)c1	743301535	JJOHDWIPHNQWEJ-OIISXLGYSA-N	304.434	3.812	50	20	DHGD	
CC(C)CN(C)CCP(=O)(c1ccccc1)c1ccccc1	744212577	POCUXFCHNHAKLF-UHFFFAOYSA-N	315.397	3.588	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2ccc(F)cc2C)cc1C	748548775	IJADWTQDWPEBSM-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1cc2ccccc2o1	749747300	BQZKBBUEBSVJPL-UHFFFAOYSA-N	306.365	3.906	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1cc(F)cc(F)c1	755631495	HXGUYRALFIWLGC-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
CCc1ccc(C(=O)NN=CCc2ccc(F)cc2Cl)cc1	766433818	OYGGNQUFCNEZAR-UHFFFAOYSA-N	318.779	4.000	50	20	DHGD	
Cc1cc(C(=O)NNc2c(Cl)cc(F)cc2Cl)ns1	766854363	IGBPLYZVOIBQHU-UHFFFAOYSA-N	320.176	3.654	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@@H]1Cc1ccccc1	768222814	KVFJIUVSAPGJQY-ZIAGYGMSSA-N	324.262	3.640	50	20	DHGD	
CCCCCn1nc(C)cc1NC(=O)NNc1ccccc1	770056628	SQBFLGBQAVIAAQ-UHFFFAOYSA-N	301.394	3.530	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc(Cl)ccc1F	770319566	VSKPVBKJFMJMKM-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1nccnc1C(C)C	772859372	CIOQPTUDJMSVHA-CQSZACIVSA-N	304.438	3.650	50	20	DHGD	
N#CSCCCNC(=O)CCSc1ccc(Cl)cc1	773585822	APNLILYMCJNRAK-UHFFFAOYSA-N	314.863	3.543	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2cc(Cl)ccn2)o1	778447971	XHXSZEMBDMFQQL-ZWNOBZJWSA-N	319.792	3.527	50	20	DHGD	
CCC(=NNC(=O)Cc1ccncc1)c1cccc2ccccc12	780229444	CSKLQKJKBDYFCW-UHFFFAOYSA-N	317.392	3.708	50	20	DHGD	
CCSCCC=NNC(=O)Cc1ccc2ccccc2c1	781123227	SVQMKBZZYZXXAG-UHFFFAOYSA-N	300.427	3.628	50	20	DHGD	
C[C@H]1CN(C(=O)/C(C#N)=C/c2ccc(F)cc2)c2ccccc21	785291707	PXKVKKLJYZIVBT-LERPTODRSA-N	306.340	3.883	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1ccccc1SC	790854174	RCDQOYMYCIPFCK-JTQLQIEISA-N	316.517	3.780	50	20	DHGD	
C=C(CBr)CN1C[C@H](c2ccc(F)cc2)C[C@H]1C	791460541	JECYVJBDZYOFKB-TZMCWYRMSA-N	312.226	3.955	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCF)c1ccc(Cl)cc1F	794914730	JAEQLYIOYFNAGT-SECBINFHSA-N	300.736	3.725	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1cc(C)ccc1F	798983011	UCSHTZLOUXUYMV-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@@H](C)C(C)(C)C)o1	800810956	AXELJISNPSVBNK-CYBMUJFWSA-N	307.438	3.519	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3cccc(F)n3)s2)o1	804773236	TUVMJKQCULNLGF-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
COc1cccc(CNCc2ccc(OCCCCl)cc2)c1	811472199	ZVNZFRVYUVQWSH-UHFFFAOYSA-N	319.832	3.993	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C1(C)CCC(=O)CC1	833106263	KXGZTIHSTOZRCH-UHFFFAOYSA-N	302.418	3.711	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCC(=O)[C@@H](C)C2(C)C)c(Cl)c1	836937893	QHZOCYPUVRJYPV-NEPJUHHUSA-N	322.836	3.733	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(O[C@@H]2CCOC2)cc1	849177958	APLXDUAKIZBGIX-GSPCDJLXSA-N	313.397	3.767	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCS(=O)(=O)c1cccs1	863310844	RWUUYKXAYVKULN-UHFFFAOYSA-N	306.525	3.544	50	20	DHGD	
Cc1cc(C(=O)/C=C\c2ccc(OCCCCl)cc2)nn1C	901554776	DRJJBNDTDYZMII-TWGQIWQCSA-N	318.804	3.632	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc2c(Cl)cncc2s1	908223760	OTNTWLIYEARCGG-UHFFFAOYSA-N	323.632	3.825	50	20	DHGD	
CCCC(=NNC(=O)c1ccccc1)c1cccc([N+](=O)[O-])c1	916248657	IBCAIJUMYONICN-UHFFFAOYSA-N	311.341	3.529	50	20	DHGD	
C/C(C=NNC(=O)COc1cc(C)ccc1C)=C\c1ccccc1	916297648	CKDWZPPJPAHGAG-SOVLUKJXSA-N	322.408	3.888	50	20	DHGD	
CCCC(C)=NNC(=O)c1ccc(COc2ccccc2)o1	916360359	RCGCYGYFVGUOAF-UHFFFAOYSA-N	300.358	3.764	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)cc1Cl	1262353915	QWVRUIPYUYXPJQ-DOMZBBRYSA-N	310.825	3.543	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nnc(CC(F)(F)F)o2)cc1	1329073702	DYNDLWIQOMHSEZ-XFFZJAGNSA-N	323.274	3.637	50	20	DHGD	
CCC1(CC)CCC(=NNC(=O)c2ccc(C(=O)O)cc2)CC1	1776101005	MGSCYZYZTGGKLO-UHFFFAOYSA-N	316.401	3.851	50	20	DHGD	
N#C/C(=C/c1ccc(/C=C\C(=O)O)o1)c1ccc2ccccc2n1	1777566096	LNUYHEVMBASHDB-BYMTVSRWSA-N	316.316	3.990	50	20	DHGD	
O=C(NNC(=O)c1ccccc1Cl)c1ccc2ccccc2c1	5703837	KGAGLBOLNUGSLV-UHFFFAOYSA-N	324.767	3.568	50	20	DHGD	
O=C(/C=C/c1cccs1)NNc1cccc(C(F)(F)F)c1	14907563	QTJFORRQSUZWAX-VOTSOKGWSA-N	312.316	3.923	50	20	DHGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)NC1CCCCC1	59133152	PFQQWYZQEJOBGU-VBKFSLOCSA-N	312.413	3.830	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cnn(CCCl)c2)c1	103250595	VPGNOWBYHMVGIL-PXNMLYILSA-N	313.788	3.529	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CC2=CCCCC2)c(C)c1	106928953	LYHXNOOYUPWEDD-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)c1ccsc1	128793159	KBTMQAXYHUAYMW-UHFFFAOYSA-N	304.268	3.663	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1cccnc1Cl	132720624	LUFFFVKALZYBMR-SNVBAGLBSA-N	324.211	3.710	50	20	DHGD	
COc1ccccc1CC(C)(C)C(=O)NNc1ccccc1F	153198125	PUILGZUDVBNSBY-UHFFFAOYSA-N	316.376	3.546	50	20	DHGD	
Cc1nn(C)cc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	158851059	CPXPPLJRTDABPJ-JYOAFUTRSA-N	320.179	3.825	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)Nc1ccc2[nH]ccc2c1	159004664	QIPFGVPCVCNEKW-UHFFFAOYSA-N	317.352	3.865	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)C(CC)CC	171019317	NVUVZWGRWVVHOI-NTEUORMPSA-N	316.357	3.906	50	20	DHGD	
O=C(NNc1ccc(F)cc1)[C@@H]1C[C@@]12CCCc1ccccc12	174636870	CPVLMQILVPIENA-PKOBYXMFSA-N	310.372	3.563	50	20	DHGD	
O=C(Cc1cccc(F)c1)NNc1ccc(Cl)cc1Cl	178875600	PPMIAERUYKRDSP-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
Cc1cccc(-n2c(C)cc(C(=O)NNc3ccncc3)c2C)c1	180480742	HKNJLPINNIFPCZ-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCc2cscn2)cc1	181149668	JMLGNNKOQPYHDI-UHFFFAOYSA-N	303.431	3.517	50	20	DHGD	
CSCCCCCCNC(=O)NNc1c(C)cccc1F	185645032	SJOXUDPREMETEV-UHFFFAOYSA-N	313.442	3.684	50	20	DHGD	
Cc1cc(OC(=O)Cc2c[nH]c3ccccc23)ccc1[N+](=O)[O-]	247990493	MPBZLFGXYLNHPB-UHFFFAOYSA-N	310.309	3.533	50	20	DHGD	
CC(=NNC(=O)c1ccccn1)c1ccc(-c2ccccc2)cc1	254303650	OYKBCNWAYRPRTA-UHFFFAOYSA-N	315.376	3.903	50	20	DHGD	
COc1ccc(Br)c(/C=C(/C#N)C(=O)CC(C)C)c1	255355315	DODGVUVHYDGHND-GHXNOFRVSA-N	322.202	3.980	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc(CCC(F)(F)F)cc1	276676237	DTLMTRMFMSAUDA-UHFFFAOYSA-N	323.318	3.642	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1ccccc1F	293379075	MSSZOTFIRUTILL-UHFFFAOYSA-N	301.365	3.663	50	20	DHGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)c1ccccc1OC(F)F	588384722	NFTFFSYNLIMVCR-ZROIWOOFSA-N	324.286	3.950	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2cnc3ccccc3n2)c1OC	588580901	UKHNQFRNSBREKH-UVTDQMKNSA-N	317.348	3.711	50	20	DHGD	
CCC[C@@H]1CCCC[C@H]1NC(=O)NNc1cccc(C#N)c1	728400475	NSYSFHQUUIZKIU-GDBMZVCRSA-N	300.406	3.543	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)CCc1ccc(C(C)(C)C)cc1	728608058	RVOCTJNVYDZNEL-UHFFFAOYSA-N	318.461	3.500	50	20	DHGD	
CC(=NNC(=O)CC12CC3CC(CC(C3)C1)C2)c1cncs1	734744674	GLEVVXJMYSITLD-UHFFFAOYSA-N	317.458	3.590	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C/c3scnc3C)n2)cc1	742431739	NSEDNNINYVPKFW-NTUHNPAUSA-N	308.366	3.874	50	20	DHGD	
Cc1cncc(C(=O)NN(c2ccccc2)c2ccccc2)c1	742519850	PFJUCTSOHLZBJT-UHFFFAOYSA-N	303.365	3.873	50	20	DHGD	
O=C(NN=C1Cc2ccc(Cl)cc2C1)c1c[nH]c2ccccc12	743421204	RQFGFVDUJXYYOU-UHFFFAOYSA-N	323.783	3.706	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)c1nnc(-c2ccccc2)o1	748249137	SYUXUQRKDCYMRY-LBPRGKRZSA-N	314.389	3.669	50	20	DHGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)C1CCCC1	752726855	LEYBODVLCJXSEH-UHFFFAOYSA-N	303.793	3.770	50	20	DHGD	
N#C/C(=C/c1ccc(Br)c(Cl)c1)c1ccncn1	754824529	LIKQLFPOMFGGAP-YHYXMXQVSA-N	320.577	3.957	50	20	DHGD	
Cn1nc(-c2ccccc2)c(/C=C(\C#N)c2ccncn2)c1Cl	758911706	KFODUDFUUUTLOZ-UKTHLTGXSA-N	321.771	3.595	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccc(Br)cc2)C1	759196351	LJRUHYDDTJSKEC-WDEREUQCSA-N	311.223	3.719	50	20	DHGD	
CCOc1cccc(NC(=O)[C@H](Br)C(C)(C)C)c1	767291791	CSQGXHDBIZRBML-LBPRGKRZSA-N	314.223	3.833	50	20	DHGD	
C[C@H](CBr)CN1CC[C@@H](c2c(F)cccc2F)C1	770668717	PDTBEJBQKJGCEG-GHMZBOCLSA-N	318.205	3.785	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C\Sc1ccccc1	771708756	SEWOTVZXQITRNJ-KHPPLWFESA-N	302.374	3.883	50	20	DHGD	
Cc1ccc(CCC=NNC(=O)c2ccc3ccccc3c2)cn1	774373867	SIDRDCJUOJMDMH-UHFFFAOYSA-N	317.392	3.892	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1cnc2c(c1)CCCC2	775722151	OTSNFPPCLIVHHN-UHFFFAOYSA-N	316.792	3.762	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CC2CCSCC2)cc1	780806283	GYOKVMHWBXBOOG-UHFFFAOYSA-N	306.475	3.961	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1OC	781555171	ZSOPLDCOTGEKSI-WJDWOHSUSA-N	311.381	3.926	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(C)c(C)c2)ccc1Cl	790178326	ZKSOLNXXUSOFEN-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1ccc(Cl)cc1	790657567	VVKMBQNFNFRJQX-SECBINFHSA-N	304.868	3.711	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1c1cccc(F)c1	790881334	ZMSMOAAKAUNFRB-CYBMUJFWSA-N	314.451	3.683	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)[C@H]1CC1(Cl)Cl	791714181	GRLMFQOCWZDGRV-MRVPVSSYSA-N	313.999	3.630	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)[C@H]1CCC(C)(C)C1	794268583	AOTWXJOQBKOGGE-WDEREUQCSA-N	304.272	3.833	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(C(F)F)cc2)cc1	794476401	LDSRKHBWRTYNDB-UHFFFAOYSA-N	302.324	3.951	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc3occc3c2)c1	794692161	SOIJMQRWZUFTDC-WOJGMQOQSA-N	316.360	3.965	50	20	DHGD	
CC(C)(C)c1ccc(/C=C\C(=O)NNc2ncccc2F)cc1	804218765	FKVDBFKKLMTURA-FLIBITNWSA-N	313.376	3.675	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@@H](C)c1ccccc1	805382832	ZGTDRUOTINNNKK-GFCCVEGCSA-N	313.357	3.540	50	20	DHGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNc2ncccc2F)cc1	806229136	VIHPOIOOSPDGOU-LLVKDONJSA-N	318.352	3.547	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C(C)(C)Oc1ccc(Cl)cc1	808248336	GPCSMCUDRUXHHV-UHFFFAOYSA-N	324.635	3.760	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)c2cc(C(F)(F)F)ccn2)c1C	812248223	HETHITJGYZTXHD-GHXNOFRVSA-N	320.318	3.998	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H]1Cc2ccccc2O1	812768162	HTOONMBVPQWHOW-KRWDZBQOSA-N	310.397	3.565	50	20	DHGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)c2ccc(Cl)cc2)CS1	814688243	PRXZAFSOEZLQRR-ZDUSSCGKSA-N	310.850	3.977	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1cccnc1Cl	814808180	XRNLLBWXWOSXDT-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1ccc(Cl)cn1	815005448	KJCBKXKGDVOICK-UHFFFAOYSA-N	323.183	3.934	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1cccc(Cl)n1	817011668	FDWYYCXDBWTBCT-UHFFFAOYSA-N	319.817	3.770	50	20	DHGD	
C/C=C/C(=O)NNc1cc(C(F)(F)F)cc(C(F)(F)F)c1	817014837	AMUCSWVXWVZWMH-NSCUHMNNSA-N	312.213	3.743	50	20	DHGD	
CN(NC(=O)Nc1ccccc1SC1CCCC1)C1CC1	824031704	VIEJVMZBWZYSFO-UHFFFAOYSA-N	305.447	3.852	50	20	DHGD	
C[C@@H](OC(=O)CCCC[C@H]1CCSS1)c1csnn1	836095286	HCWZFGLVOZVTSH-ZJUUUORDSA-N	318.489	3.856	50	20	DHGD	
CC[C@H]1C[C@H](C(=O)NNc2cccc(Cl)c2Cl)CCO1	838348594	YVFVEECEHRCDKR-ZJUUUORDSA-N	317.216	3.642	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(OCCC)cc1C	849249863	NMLDRJKBIDGWAI-SFQUDFHCSA-N	321.442	3.863	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ccnc(Cl)c2)c(C)s1	855468029	MAHDALJGLYFVGY-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)c2ccccc2C)cc1F	856229472	LHZLDEADVASJBN-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
CC(C)=CCC[C@H](C)CC(=O)NNCC(F)(F)C(F)(F)F	863102742	UWOGUMMTOJJJHW-JTQLQIEISA-N	316.314	3.577	50	20	DHGD	
CCc1c(NC(=O)NCC(Cl)Cl)cnn1C(CC)CC	879361603	HCKZNBLRHVJMHH-UHFFFAOYSA-N	321.252	3.732	50	20	DHGD	
CC1=CC(=NNC(=O)c2sc(-c3ccccc3)nc2C)CC1	916349545	PEDPNGKZZICXKR-UHFFFAOYSA-N	311.410	3.944	50	20	DHGD	
CC[C@H](C)C(=O)NN=C1CCOc2c1ccc(Cl)c2Cl	920374990	NYOBPPVXXQDXEU-QMMMGPOBSA-N	315.200	3.642	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1ccc(-c2ccccc2Cl)o1	920828926	JCAVYWBVTJLOHE-UHFFFAOYSA-N	317.776	3.643	50	20	DHGD	
O=C(NN=C1CCc2c(Cl)cccc21)c1ccccc1F	921251495	OTRXVHIHFQEBPX-UHFFFAOYSA-N	302.736	3.559	50	20	DHGD	
OC/C=C/CNCc1cccc(S(F)(F)(F)(F)F)c1	922241254	VRHOWOXOBNKXGR-OWOJBTEDSA-N	303.296	3.982	50	20	DHGD	
CCC[C@H](C)c1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)n[nH]1	1329333918	HVUGJHBELCPHPC-CJAAZZPWSA-N	324.384	3.565	50	20	DHGD	
O=C(O)c1cccc(NNC(=O)c2ccc(C3CCCC3)cc2)c1	1602450099	JAGLZHCRFHZOQB-UHFFFAOYSA-N	324.380	3.799	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C)CC1=NNC(=O)c1cccc(C(=O)O)c1	1776094624	CQHUGHJWNOUAGI-SWLSCSKDSA-N	316.401	3.563	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(CSC(F)F)o1	7165774	QQDHALQYHBDICL-JXMROGBWSA-N	314.357	3.559	50	20	DHGD	
N#C/C(=C\c1cccc(C(F)(F)F)c1)C(=O)Nc1nccs1	43079844	AJSBCBXZEAEGJR-UXBLZVDNSA-N	323.299	3.708	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2)cc(C)c1OC(F)F	111551523	QFKDNVILACOZJW-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1)C1CCCCC1	112224601	XZQXLHGTAMCJER-LCYFTJDESA-N	318.804	3.744	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ccccc1[N+](=O)[O-])c1ccccc1	129047419	ZRPYEVQQBRDJOS-ZDUSSCGKSA-N	313.357	3.622	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2sccc2C)cc1C#N	132604003	SGUOIXILMJWQSP-ZSOIEALJSA-N	308.362	3.727	50	20	DHGD	
O=C(Cc1c(Cl)cccc1Cl)NNc1ccccc1F	153295524	KWNLUPYADSYFHY-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCO[C@@]2(CCc3ccccc32)C1	158592662	BTIWEAOHYRRDDJ-IOAQBMTJSA-N	316.404	3.725	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(CC)[C@@H](C)c1cc2ccccc2o1	159145937	ALLJHECLEXYCAN-FRRXJZEGSA-N	312.369	3.786	50	20	DHGD	
CC[C@@H](CSC)NC(=O)CCCC[C@@H]1CCSS1	181225992	ZILRCIUCWJRXGE-NWDGAFQWSA-N	307.550	3.958	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccccc2C)ccc1O	212131066	IODIQDTXOLOWJY-GDNBJRDFSA-N	307.349	3.889	50	20	DHGD	
CCN(CC)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	212503630	ZTNLZLBKMJAQJL-LICLKQGHSA-N	301.434	3.536	50	20	DHGD	
Cc1cccc(NC(=O)CN(C)/C(=C\C#N)c2ccccc2)c1C	255716596	MBUJEGLFTNAUTG-UNOMPAQXSA-N	319.408	3.738	50	20	DHGD	
COc1ccc(-c2ccncc2)cc1/C=C(/C#N)C(=O)OC(C)C	588506809	DZJHSVYTLQAOGW-BOPFTXTBSA-N	322.364	3.616	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)c(Cl)c1	741468457	GPMJIJSPXFLWON-KPKJPENVSA-N	324.771	3.993	50	20	DHGD	
C=CC[C@@H](C)C(C)=NNC(=O)c1cccc(Br)c1	741767836	NRQYLIBNWJCINI-SNVBAGLBSA-N	309.207	3.767	50	20	DHGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)c2ccc(C#N)cc2)cc1	741839436	HJASRFSDIUZVJZ-GOSISDBHSA-N	317.392	3.920	50	20	DHGD	
CCC[C@H](C)CC(=O)NNC(=O)Nc1ccc(C)cc1Cl	743824536	OQFHJDPRSBRLIG-JTQLQIEISA-N	311.813	3.627	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(OC(F)F)cc1	748649246	OFSPYSMLFURXFG-NWDGAFQWSA-N	312.360	3.948	50	20	DHGD	
CCO[C@H]1CCCC1=NNC(=O)c1c(Cl)cccc1Cl	766446116	DESMBCNYSDRCLW-LBPRGKRZSA-N	315.200	3.668	50	20	DHGD	
C[C@@H](CSc1ccc(F)cc1)C(=O)NN(C)c1ccccc1	768930439	WOEVNPYDARDFNS-ZDUSSCGKSA-N	318.417	3.722	50	20	DHGD	
N#C/C(=C/c1cc(O)ccc1[N+](=O)[O-])c1ccc2ccccc2n1	772806753	OHMDSOYZRFFARQ-ZROIWOOFSA-N	317.304	3.913	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1cc(Cl)c2ccccc2n1	773750726	HIGHXMKIQRJIFP-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1ccc2ccccc2n1	777462308	MMLOXKQOSHJGQA-INIZCTEOSA-N	317.392	3.798	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn3cc(C)ccc3n2)cc1	789148570	RIYZQCFWEYLTKD-SXGWCWSVSA-N	301.349	3.741	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H]1c1ccc(Cl)cc1	790876688	RJLYSGSRYNFBIK-GFCCVEGCSA-N	316.879	3.808	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)C1	802015694	XGLGDAJQJHTGFN-LLVKDONJSA-N	323.824	3.709	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cc(O)ccc1Cl	811140127	OAWNBOFBTBMRSW-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
O=C(CSc1ccccc1O)NN=C1CCCC12CCCC2	814969568	YZUXVUMGZTWVMK-UHFFFAOYSA-N	318.442	3.701	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)CSc1ccccc1O	814970841	GEXRVHFXNOPBIF-OLZOCXBDSA-N	320.458	3.803	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc(Cl)ccc1C	816338594	QWSGDEHIOAEEHY-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1ccc2oc(S)nc2c1	816844884	TWHPLDNWMDWPHG-UHFFFAOYSA-N	319.773	3.527	50	20	DHGD	
CC(C)c1ccc(CCC(=O)NNc2cccc(Cl)n2)cc1	817011669	FDXJISUXHVTOJC-UHFFFAOYSA-N	317.820	3.934	50	20	DHGD	
Cc1cccc2c(=O)n(CCO[Si](C)(C)C(C)(C)C)cnc12	821078760	ZYWITPDOWOWPCM-UHFFFAOYSA-N	318.493	3.727	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NNc1ncc(Cl)cc1Cl	832395597	OUBDMQHVGBEADR-GFCCVEGCSA-N	308.184	3.750	50	20	DHGD	
CC(=NNC(=O)c1cnn(-c2ccccc2)c1)[C@H]1CCCC[C@H]1C	834958334	LKUPXPLFRWEVAW-KDOFPFPSSA-N	324.428	3.804	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccn(C(C)C)n2)cc1	836588732	QZQYDLQCMPTSHP-UHFFFAOYSA-N	301.394	3.736	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2c(C)cccc2Cl)c1C	836932779	OTIWZGWCHWEKAP-UHFFFAOYSA-N	305.809	3.844	50	20	DHGD	
COc1ccc(F)cc1CC(=O)NNc1ccc(C(C)C)cc1	837058079	LPVXDDZLJCPODS-UHFFFAOYSA-N	316.376	3.644	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2CC(=O)NCC(Cl)Cl	837645110	GHGLTMWMQPEZQJ-WDEREUQCSA-N	300.229	3.896	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)N[C@H]1CCCSC1	838504476	PHPJTOXAMIJNNL-QMMMGPOBSA-N	320.245	3.515	50	20	DHGD	
CCCc1ccc(CCCC(=O)NCCCSC#N)cc1	854367412	SHGVWIDRJPONEI-UHFFFAOYSA-N	304.459	3.682	50	20	DHGD	
CC[C@H](SC)C(=O)NNc1nc2ccc(Cl)cc2s1	856233956	HTXNJWYYOQBJNF-VIFPVBQESA-N	315.851	3.534	50	20	DHGD	
COCCC1(CNC[C@@]2(C)C[C@@H]2Br)CCCCC1	856810502	YLEHQRGAOSFELA-UONOGXRCSA-N	318.299	3.737	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1cccc(C(=O)OC)c1F)C(C)C	857282689	YNRWRDPNQBQSNG-GFCCVEGCSA-N	324.396	3.518	50	20	DHGD	
CC(C)n1cc([C@@H](C)NC[C@@H](CBr)C2CC2)cn1	859250550	LENHWUBNCGAVMZ-DGCLKSJQSA-N	314.271	3.536	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=Cc1ccsc1	916273634	OTDXWVYEONMDRN-UHFFFAOYSA-N	310.831	3.644	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1cc2c(s1)CCC2	916315004	CTTMLNRNZDWONM-RQJABVFESA-N	314.454	3.779	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)C(C)(C)C)cs2)cc1	918713134	VQAIIEVMYXFAAH-UHFFFAOYSA-N	301.415	3.615	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)NCCc2cccs2)c(C)c1	920831386	IDTRPCORKYTFCS-UHFFFAOYSA-N	315.442	3.549	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c1	921260507	BJRXETFBHZEYHW-XNTDXEJSSA-N	320.348	3.547	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(Cl)cc2C)c(C)n1	928338050	QPZHQQJLIFTJDZ-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
CC(C)C[C@H]1CCCC(=NNC(=O)c2n[nH]c3c2CCCC3)C1	1116886156	HEOIIPBJNQSPOL-CYBMUJFWSA-N	316.449	3.611	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OCc2csc(C)c2)c1	1119350042	RJXPEFGFLIWAPJ-VIZOYTHASA-N	313.378	3.716	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)s2)ccc1F	1341110649	IDUAWTNMZZUJOJ-GHXNOFRVSA-N	301.342	3.994	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)nc1	1345079082	UOVJFSFWVJLCQG-OQLLNIDSSA-N	305.381	3.872	50	20	DHGD	
C/C(=C/C1CCC(C)CC1)C(=O)NNc1ccccc1C(=O)O	1602960335	RLIZSGGIKDYWLM-QBFSEMIESA-N	316.401	3.601	50	20	DHGD	
ClCOc1c(Br)cccc1Br	86491091	BNLMDKPMIUKEOZ-UHFFFAOYSA-N	300.377	3.787	50	20	DHGD	
CSCCc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	92603324	REJUXPTWRSZOML-UHFFFAOYSA-N	319.405	3.880	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccccn2)c(OC(F)F)c1	114630909	KPEGKBUIKNVJGA-WQLSENKSSA-N	302.280	3.756	50	20	DHGD	
CC(C)COc1ccccc1CNC(=O)NNc1ccccc1	114940053	LOHOEHLVZUVIQF-UHFFFAOYSA-N	313.401	3.548	50	20	DHGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)c1	116608837	IVBHCJGZSZFGSY-FMNVXAMXSA-N	308.356	3.919	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccccc1Cl	121757255	KVZGVPRMWCZGRV-UHFFFAOYSA-N	312.703	3.698	50	20	DHGD	
Cc1cccn2c(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)cnc12	172690813	CUHUMZWYAPASRN-NTEUORMPSA-N	304.309	3.615	50	20	DHGD	
CC(C)c1ccc2nc(CSCCCCl)[nH]c(=O)c2c1	180972958	NKNJGHMDOYWUAM-UHFFFAOYSA-N	310.850	3.909	50	20	DHGD	
C[C@H]1CC[C@@H](CCC(=O)NNc2ccc(C(C)(C)C)cc2)O1	181160397	LINAQNVEVBVEMD-BBRMVZONSA-N	304.434	3.775	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C\c2csnn2)cc1	193340268	CZWBVPCHDYAAIL-JYVXZMADSA-N	312.398	3.597	50	20	DHGD	
Cc1c(Cl)cccc1C(=O)NNc1ccc(C#N)c(Cl)c1	194856670	LUFCYOLRGJCAHX-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(/C#N)C(=O)c2ccsc2)cc1	254974625	JRLBVZPXGGGDBZ-PWDRSIHYSA-N	308.362	3.829	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c(OC(F)F)c1	255620354	DVAMZLRMLZQVOG-YRNVUSSQSA-N	309.312	3.819	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1cccc(C(F)(F)F)c1)OCC	270253424	RVRBESWMAQWYRF-CYBMUJFWSA-N	316.323	3.520	50	20	DHGD	
Cc1cc(NNC(=O)c2coc3ccc(C(C)C)cc23)nc(C)n1	287872615	GCGQFWJBLOICAP-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)[C@H]2C[C@@H](C)CC(C)(C)C2)c1	294047343	XZFXFKIWOINFRF-OCCSQVGLSA-N	317.433	3.551	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H]2C[C@H]2c2sccc2C)cc1	294226430	FOKSWBJMNALANW-HUUCEWRRSA-N	316.426	3.702	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](CC)c2ccc(F)cc2)cc1	294322402	LLPABWVFRPYDJM-KRWDZBQOSA-N	316.376	3.861	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)C(=O)c1ccc(F)cc1	588580682	BLXZOFSORNXQRI-QINSGFPZSA-N	317.323	3.801	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)c1F	588619136	VKECMKKGMLSJLU-GDNBJRDFSA-N	324.355	3.997	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNC(=O)c1ccc2ccccc2c1	727674216	MKDUHQQDKUWTRQ-CQSZACIVSA-N	312.413	3.673	50	20	DHGD	
CC1(c2ccccc2)CC(=NNC(=O)CCc2ccccc2O)C1	729934598	NHEASCBPOXISAX-UHFFFAOYSA-N	322.408	3.549	50	20	DHGD	
Cc1ccccc1CCC(=O)NNc1nccc2sccc12	734247961	HRTOXTHCEJIFBK-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
CC(=O)NN=Cc1cc(C)c(OCc2cccc(C)c2)c(C)c1	734363179	WLMUAYJFYKYDKZ-UHFFFAOYSA-N	310.397	3.661	50	20	DHGD	
COc1ccc(Cl)cc1[C@@H](CC(C)C)NC=C(C#N)C#N	737751745	NCMVEOKJMPSSPN-OAHLLOKOSA-N	303.793	3.956	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)c1ccc(CC)cc1	742477809	UMSMOQNTRUDLRF-AWEZNQCLSA-N	304.434	3.617	50	20	DHGD	
CC(C)(C(=O)NN=C/C=C\c1ccc(F)cc1)c1ccccc1	747751855	SMRZYMQZKQVHAE-LFYOSMIQSA-N	310.372	3.919	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(O)cs1	749259800	GZVHVQLCQRIFTH-UHFFFAOYSA-N	303.170	3.517	50	20	DHGD	
O=C(NN=Cc1csc(C2CC2)n1)c1cc2ccccc2o1	749822617	FESHDLNQHOIXBN-UHFFFAOYSA-N	311.366	3.531	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1cc2ccc(C)cc2o1	754910438	NWQSUORPBTZNPV-UHFFFAOYSA-N	321.380	3.694	50	20	DHGD	
Cc1csc(C=NNC(=O)c2c(Cl)cccc2Cl)n1	755699239	VNVQBNNHPRERNE-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)c1cc(Cl)ccc1O	764905145	GYAJTJPQYNVFKB-UHFFFAOYSA-N	322.817	3.846	50	20	DHGD	
Cc1ccncc1C(=O)NNc1c(Cl)cc(F)cc1Cl	768009636	RFHICMSCQARJRC-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C(F)(F)F)cn2)C1	775249101	DSIFQGWGHWOISZ-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1nc2ccc(OC)cc2cc1C	778476414	NMMBZIIGZQRLQL-LBPRGKRZSA-N	315.417	3.821	50	20	DHGD	
CC(C)(C)[C@H]1CCC[C@H](NC(=O)NNC(=O)C2CCCC2)CC1	780718916	AOZBWFFBAFRHRS-GJZGRUSLSA-N	323.481	3.502	50	20	DHGD	
Cc1nc2cc(NC(=O)NNc3ccc(F)cc3)ccc2s1	781510405	GONAXKKLQGDUDE-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
Cc1ccc(CCCC=NNC(=O)c2ccc(N)cc2)cc1C	783784362	SJEONHXLSNVINS-UHFFFAOYSA-N	309.413	3.624	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(/C#N)C(=O)NC1CCCC1	788732512	KCQJIYVTCOVFAL-RAXLEYEMSA-N	302.805	3.868	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ncc(CN(C)C)s2)n1	794702426	QEXFDKRWYWJVOO-VZUCSPMQSA-N	318.471	3.849	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc2nc(C(F)F)sc2c1	794735441	IACFEXRKTWHBCF-BQYQJAHWSA-N	323.324	3.616	50	20	DHGD	
COCC[C@@H]1CCCC1=NNC(=O)C12CC3CC(CC(C3)C1)C2	799867994	REABHXILXIUDGN-DZPQGLOJSA-N	318.461	3.512	50	20	DHGD	
O=C(/C=C/c1cccc(CCl)c1)c1cn(-c2ccccc2)nn1	799891876	IRFZNVNNXZYMGW-MDZDMXLPSA-N	323.783	3.902	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(Oc2ccccc2)o1	808131747	SQONDNOCYCPMGE-UHFFFAOYSA-N	300.141	3.605	50	20	DHGD	
C[C@@H]1CSCCN(Cc2ccc(OCCCCl)cc2)C1	811495657	OITCOSMJZDWPRD-AWEZNQCLSA-N	313.894	3.879	50	20	DHGD	
CC(C)SCCNCc1ccc(OCCCCl)cc1	811505770	HTBHPNKQKYTOLF-UHFFFAOYSA-N	301.883	3.926	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2ccc(Cl)o2)c2ccccc2n1	814714093	QTZJIMVYEPILJN-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(C)(C)C)cc1)c1cccc(CO)c1	814741484	CXPXVOWVGKVRDP-UHFFFAOYSA-N	324.424	3.630	50	20	DHGD	
COCC[C@@H]1CCCC1=NNC(=O)Nc1ccc(Cl)cc1	815005503	LWAJKWXPKZUJDP-NSHDSACASA-N	309.797	3.654	50	20	DHGD	
Cc1c(C(=O)N(C)CC(Cl)Cl)oc2ccc(F)cc12	816627396	MVEWIDGEYKJFAZ-UHFFFAOYSA-N	304.148	3.756	50	20	DHGD	
Cc1cc(C(=O)NN=C2CCC(C)(C#N)CC2)c2ccccc2n1	834919252	FJLQJPMJUIDJNU-UHFFFAOYSA-N	320.396	3.733	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(Cc2ccc(Cl)cc2)CC1	837645632	DAXHOWXPIDDWRJ-UHFFFAOYSA-N	306.620	3.583	50	20	DHGD	
CCOC1CC(CCNC(=O)NNc2ccc(C(C)C)cc2)C1	838564016	AOCAUTBQJYILHS-UHFFFAOYSA-N	319.449	3.641	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncccc2F)c(Cl)c1Cl	857503737	PUOWPGIYQGKAPO-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@H](C)c2cnc(C)s2)c(Cl)c1	876014984	SYJVUQMBDVNFMI-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1ccc(F)c(Cl)c1	915955328	YQCQCCDXZNBMDS-UHFFFAOYSA-N	304.752	3.942	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccc(C)c(C)c2)cc1	915983870	WYOTYCILJBRHNM-WQRHYEAKSA-N	311.406	3.950	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cc3c(s2)CCC3)cc1	916315381	PKWLQSRWBFKADV-UHFFFAOYSA-N	316.451	3.723	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(C)c2C)s1	916336688	MMBXDZQSMGQTEU-AWEZNQCLSA-N	316.426	3.591	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2cccc(C(C)C)c2)c1	916978196	JZNCNRWXVKVIHO-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
Cc1nc(CCCC(=O)NNc2ccc(Cl)cc2C)cs1	928339429	GIUBNMKSXRRVNR-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
CC(C)c1scnc1C(=O)OC[C@]1(C)C[C@H]1Br	1123039887	PDZUSWYYVGASGD-PELKAZGASA-N	318.236	3.597	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3cccc(C#N)c3)c(Cl)c2c1	1328430181	CHJOTQTWIWVQIJ-UHFFFAOYSA-N	324.771	3.758	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2cccc(C)c2C)cc1C(=O)O	1610079173	IIDXOGQVSBWYMK-JYRVWZFOSA-N	323.348	3.947	50	20	DHGD	
CCCCCCC(=O)NNC(=O)c1ccc(Cl)cc1Cl	11638698	RTJPAJDJRWUUBJ-UHFFFAOYSA-N	317.216	3.725	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2)cc(C)c1OC(F)F	107546545	VIQGSTFJMFGIHN-UHFFFAOYSA-N	324.302	3.801	50	20	DHGD	
O=C(CCCOc1ccc(Cl)cc1)NNc1ccccc1	111555457	PUCVLMXMILEEAS-UHFFFAOYSA-N	304.777	3.642	50	20	DHGD	
O=C(Cc1c[nH]c2ccc(F)cc12)NNc1cccc(Cl)c1	115326882	FJJCCRKDBHTSES-UHFFFAOYSA-N	317.751	3.646	50	20	DHGD	
C[C@H](CCC(=O)NNc1ccc(F)cc1F)c1ccccc1	118956672	CAXDRAQOYLWGDL-GFCCVEGCSA-N	304.340	3.992	50	20	DHGD	
CSCCc1ccc(NC(=O)NNc2ccccc2)cc1	120454919	GKFWCNKJQXGIFP-UHFFFAOYSA-N	301.415	3.741	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccccc1CC(F)(F)F	120726592	KKMFAGFCCNRSOA-UHFFFAOYSA-N	309.291	3.940	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1ccc2[nH]ccc2c1	132920445	OEWKXJOHQKXUCH-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
COCc1ccccc1NC(=O)NNc1ccc2ccccc2n1	155444115	FYAPQCTVCYUIKF-UHFFFAOYSA-N	322.368	3.530	50	20	DHGD	
COc1ccc2oc(/C=C(/C#N)C(=O)NC3CCCCC3)cc2c1	160140006	GOSXNAFCOFTZDT-KAMYIIQDSA-N	324.380	3.797	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cccc(OCC(C)C)c1	161065586	OIQPNGUZCCOKHW-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
CCOc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)cc1	175406048	XRROXWAARMJAKP-UHFFFAOYSA-N	308.740	3.635	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(C)[C@H](C)c1sc(C(C)C)nc1C	179205004	XSKPTWQQFYPGST-AUWXEVLLSA-N	321.446	3.538	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])s2)cc1	181157470	PRCQRRFZBIUGCN-UHFFFAOYSA-N	319.386	3.711	50	20	DHGD	
CCOC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	194580420	PVGXRNAKLRPHAC-AWEZNQCLSA-N	317.520	3.728	50	20	DHGD	
CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccccc1Cl	252628264	SMDSDOHPPLGRGJ-UHFFFAOYSA-N	311.772	3.975	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(N(C)CCC#N)cc1	255083286	VBWGJJADBCLSCX-VBKFSLOCSA-N	319.364	3.728	50	20	DHGD	
Cc1ccc(C(=O)CC(C)(C)CC(=O)N2CC=C(C#N)CC2)cc1	273964695	ZSHPRXZAEHZMNO-UHFFFAOYSA-N	324.424	3.666	50	20	DHGD	
CC[C@H](C)Oc1ccc(NC(=O)NNc2cccc(F)n2)cc1	287206680	ZOMGANKPOQMVEN-NSHDSACASA-N	318.352	3.547	50	20	DHGD	
C[C@H](Oc1cccc(C(C)(C)C)c1)C(=O)NNc1ccccc1	303487440	RJOUJIITSPXJPR-AWEZNQCLSA-N	312.413	3.895	50	20	DHGD	
C[C@H]1C[C@@H](N2CCCC2)CN1CCO[Si](C)(C)C(C)(C)C	367362383	WXARMJYPTQEZIC-JKSUJKDBSA-N	312.574	3.567	50	20	DHGD	
CC(C)Oc1ccccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	490905686	ACRJKSQZBHZJIA-RVDMUPIBSA-N	322.364	3.725	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1c[nH]c(C(F)(F)F)c1	491005852	CAWFOFGXKKMTRE-SDQBBNPISA-N	319.286	3.888	50	20	DHGD	
Cc1noc(C)c1/C=C(/C#N)C(=O)c1ccccc1OC(F)F	588386565	HVCRVDNIHYLZBQ-XFFZJAGNSA-N	318.279	3.683	50	20	DHGD	
O=C(NN=C1CCCOc2ccccc21)c1cccc(Cl)c1	728427720	JGQJSXXUPWBDGX-UHFFFAOYSA-N	314.772	3.647	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1nccc2sccc12	734246956	OLQYPEAJOQVTHE-SRVKXCTJSA-N	301.415	3.566	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H](C)CCc1ccccc1F	748549529	ZSBKJZNSJFXRER-GFCCVEGCSA-N	318.367	3.985	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(F)ccc1O	749259864	KBXTUJFUJSACCM-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](OCC(F)(F)F)C1	750800391	SQVXKHSMYYVBJP-VLHYRRCOSA-N	310.319	3.594	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1ccnc(F)c1	754297848	BAZZHLWORQTBTJ-STQMWFEESA-N	313.376	3.653	50	20	DHGD	
O=C(NN=C[C@H]1CCc2ccccc21)c1c[nH]c2ccccc12	755486810	BJGCLRKOMOGECU-CQSZACIVSA-N	303.365	3.614	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1ccc(Cl)cc1Cl)OCC	756018348	XAFXNNZXIMNPFD-ZDUSSCGKSA-N	317.216	3.808	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2c(C)oc3ccccc23)cc1	758093736	XLYCHYWSWAFOEE-UHFFFAOYSA-N	321.380	3.612	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1Br)c1ccncn1	758910163	DVLBANWNGRNDGS-YHYXMXQVSA-N	320.577	3.957	50	20	DHGD	
CC(CSc1ccccc1[N+](=O)[O-])=NNC(=O)CC(C)(C)C	765571770	KICMLDNLMGIBRN-UHFFFAOYSA-N	323.418	3.615	50	20	DHGD	
O=C(NNc1ncccc1Cl)c1ccc(-c2ccco2)s1	768063522	IVYPJHOXKPHYRL-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@H]2CCC[C@H](C)C2)cc1	768359155	AKUIHHAFRIVGAP-HOCLYGCPSA-N	302.418	3.556	50	20	DHGD	
CCCc1ccc(NC(=O)NNc2ncccc2Cl)cc1	769932024	MWZFVNBLMYWVLY-UHFFFAOYSA-N	304.781	3.836	50	20	DHGD	
O=C(NNc1ccccc1)C1(Cc2ccc(Cl)cc2)CC1	770809128	JQBHHXPZKDWTDK-UHFFFAOYSA-N	300.789	3.806	50	20	DHGD	
CCC[C@H](C(=O)NNc1ncc(Cl)cc1Cl)C(C)C	775273462	YXCLYDNXOZIHOZ-JTQLQIEISA-N	304.221	3.904	50	20	DHGD	
CC1(C(=O)NNc2cc(F)c(F)cc2F)CCCCCC1	781348739	MYGIMCYZFVQBTP-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
CC(C)[C@@H]1CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	781795994	ZRMDPIJOFHDNKP-NEPJUHHUSA-N	304.272	3.691	50	20	DHGD	
O=C(NN=Cc1ccc(C(F)F)cc1)c1c[nH]c2ccccc12	794455746	IZFRAPRLTDUIAN-UHFFFAOYSA-N	313.307	3.869	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(C(C)C)c1N	795470801	XOXFGQSHBZDIBA-UHFFFAOYSA-N	312.207	3.500	50	20	DHGD	
CCCN(NC(=O)[C@@H](C)c1cccc(F)c1)C(=O)OC(C)(C)C	804593842	VVWOXTIYFOFCBH-LBPRGKRZSA-N	324.396	3.608	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NNc1nccnc1C1CCC1	806127179	BKLPDCNYSDEPRD-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1conc1C1CC1	810679029	JDANMBBHKHFMAR-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2csc3ccccc23)cc1	812431321	FWDXTQXHHBAWTO-UHFFFAOYSA-N	324.405	3.739	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2cccc(Cl)n2)c(C)c1	814617245	FQEYEPWBRAXDRZ-UHFFFAOYSA-N	320.780	3.591	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1cc(F)cc(Cl)c1	814669247	NHNYKOZFTKTIDP-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(CCc1cncs1)NNc1cc(Cl)ccc1Cl	815854012	KMRYBBSAWFGXCE-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)c1ccc(-c2cccs2)cc1	818268199	BDIDKMQOOOXACV-UHFFFAOYSA-N	323.421	3.908	50	20	DHGD	
CCn1cc([C@H](C)NCc2ccc(OCCCCl)cc2)cn1	825129840	GLFGQMFOYNYRER-AWEZNQCLSA-N	321.852	3.762	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)Nc1cnn(C(C)(C)C)c1	836435010	OIPLQICFWMLHIV-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
O=C(NN=C1CC[C@@H](c2cccc(Cl)c2)C1)c1ccc[nH]1	841617257	KEWLGFWBVYAONS-GFCCVEGCSA-N	301.777	3.722	50	20	DHGD	
CC(C)(C)OCC(=O)NNc1ccccc1Oc1ccccc1	846460263	AKXQPGLSCXGSHI-UHFFFAOYSA-N	314.385	3.737	50	20	DHGD	
COC1(C(C)=NNC(=O)c2ccc(C(C)(C)C)cc2)CCC1	853271394	JCOBJHQWHHSPIF-UHFFFAOYSA-N	302.418	3.659	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccc(C3CC3)cc2)C[C@@H]1Br	856852773	BWSSUBZEZWZBSL-DZGCQCFKSA-N	323.234	3.859	50	20	DHGD	
CCOc1ccc(NNC(=O)c2c(C)cccc2Cl)cc1	857512365	MPJJZQBNHJWHEA-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
CSc1cccc(NC(=O)[C@@]2(C)C[C@H]2Br)c1C	907221639	BQYNOVXBVFXWSU-YPMHNXCESA-N	314.248	3.829	50	20	DHGD	
Cc1nc(C)c(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)o1	912579840	IWBMUEFFUZQWFC-CYBMUJFWSA-N	324.497	3.528	50	20	DHGD	
CO[C@@H]1CCCCC1=NNC(=O)c1cc2c(s1)CC[C@@H](C)C2	915952932	ZOFJLTBMFAYYRE-BXUZGUMPSA-N	320.458	3.548	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccc(F)cc1)c1ccc(C)s1	917027788	IEOLLDPGGGNROM-LBPRGKRZSA-N	320.389	3.503	50	20	DHGD	
N#C/C(=C1/COc2ccc(F)cc21)c1nc(-c2ccccc2)no1	918155215	DZCDMRSCBRYSSC-CCEZHUSRSA-N	319.295	3.702	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@@H](C)c1cnccc1C	921757575	GUFJIACIFLLUEQ-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
O=C(NN=C1CCCOc2ccccc21)c1ccccc1Cl	1115981967	HBUOKJVZKQKANX-UHFFFAOYSA-N	314.772	3.647	50	20	DHGD	
CCC[C@@H](C)c1cc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)n[nH]1	1329333921	HVUGJHBELCPHPC-OJLMPMFISA-N	324.384	3.565	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(C)c1O	7158258	KFHHZYSHVRISCN-XGVBJGJYSA-N	312.413	3.611	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(F)cc2Br)c1	72728218	IBSQYQGMPAOYHW-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)C(C)(C)C	82068004	VZEOPNHOEAQQQD-XFFZJAGNSA-N	322.202	3.980	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2ccc(F)cc2)cc1	92425504	VHHQFYJDABTKEJ-UHFFFAOYSA-N	303.337	3.762	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1cc(F)ccc1F)C1CCCCC1	112224632	PROZZHHXAJHGKO-LCYFTJDESA-N	304.340	3.663	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1F	113432246	QKQBHKHPIYOXKL-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
CC(C)c1nc(C(=O)NNc2cccc3c2CCCC3)cs1	120048824	JFAWUBRYRHURIY-UHFFFAOYSA-N	315.442	3.902	50	20	DHGD	
O=C(CCSc1ccc(Cl)cc1)NNc1ccccc1	120487343	VSTMTJYKXWVLNU-UHFFFAOYSA-N	306.818	3.966	50	20	DHGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2ccc(Cl)cc2Cl)O1	151950975	IBWGVEVCYFLRCJ-MWLCHTKSSA-N	317.216	3.784	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc2occc2[nH]1	154162874	PQPGKOOGECFUNP-UHFFFAOYSA-N	309.247	3.537	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)CC(C)C)c(Cl)c1OC	171670790	MLCRHNSPQNXPPO-XYOKQWHBSA-N	307.777	3.879	50	20	DHGD	
COc1ccc(NC=C(C#N)C#N)c(OCc2ccccc2)c1	190077382	AGPGTNYSOJCPLS-UHFFFAOYSA-N	305.337	3.617	50	20	DHGD	
Cc1ccccc1NNC(=O)[C@H](C)Oc1cccc(Cl)c1	192734417	MFDMELBPJVMJMJ-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
CCCCOc1cc(/C=C(\C#N)C(=O)OC(C)C)ccc1OC	207666767	OHNJPSWTMTYMQZ-XNTDXEJSSA-N	317.385	3.733	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1	254704398	QQXFAIMPCYXKBE-OIVKUWQPSA-N	312.413	3.687	50	20	DHGD	
Cc1ncccc1/C=C(/C#N)C(=O)Nc1cccc(Cl)c1C	255715500	OKFHKGUDWWCKGF-ZROIWOOFSA-N	311.772	3.898	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1sc(C(C)(C)C)nc1C	269582525	KQGHYLSNPLLCMD-UHFFFAOYSA-N	321.421	3.953	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)cn1	588579790	MPWQFGUGVMMMJX-YBEGLDIGSA-N	322.368	3.819	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(C)cs2)c2c(c1)C[C@@H](C)O2	588616494	NYUSDJDJIDLPMO-SBALOJEDSA-N	312.394	3.848	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccc(F)c(F)c3F)[nH]c2c1	727759960	LIYBTFUXNUXNEK-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
COc1ccc2oc(C(C)=NNC(=O)CC(C)C)c(C)c2c1	729143684	KMIDBTVZSQTPIL-UHFFFAOYSA-N	302.374	3.636	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccnc2ccccc12)c1ccccc1	731932136	ZSBGVNDJXBXTPV-QGZVFWFLSA-N	317.392	3.879	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1O)c1ccc(Cl)s1	733201293	RGBKNUILPPHQNB-UHFFFAOYSA-N	308.790	3.651	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(Cl)nc1)c1ccccc1F	743817196	SVTNUXREOWELAR-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CC[C@@H]2CCC[C@H]2C1	745875240	MEUSNOLJWQEWIF-RWMBFGLXSA-N	307.825	3.935	50	20	DHGD	
CCC(=NNC(=O)c1cccc2cccnc12)c1ccccc1	747362219	SFYFPXGKIFIOAY-UHFFFAOYSA-N	303.365	3.779	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccccc2F)o1	748056151	BCCMLSDTTDJGBF-WCQYABFASA-N	302.349	3.618	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2ccc3c(c2)ncn3C)c1	761200216	NVQURWIQAVFHBE-MFOYZWKCSA-N	315.376	3.980	50	20	DHGD	
C[C@H](CC(=O)N1CC=C(C#N)CC1)c1ccccc1C(F)(F)F	767160488	REZOEARDLMALRA-GFCCVEGCSA-N	322.330	3.881	50	20	DHGD	
CC[C@H]1CC[C@@H](C(=O)NNc2c(Cl)cc(F)cc2Cl)O1	767402993	SQTHUFLFAZIWET-KWQFWETISA-N	321.179	3.533	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(OC(F)F)cc1)c1occc1C	767786040	VAIIKVAMBDZMJN-UHFFFAOYSA-N	323.299	3.735	50	20	DHGD	
COc1ccc(NNC(=O)C(C)(C)c2cccc(Cl)c2)cc1	769018406	AMDMWAMHPYHQIL-UHFFFAOYSA-N	318.804	3.770	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cnc2ccsc2c1	770197616	RIHSGDNJQREHHR-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
C[C@@]12CC3CC(C(=O)NCCCSC#N)(C1)C[C@](C)(C3)C2	773586675	XNDFLNZOPVJVFM-JOHJCKIYSA-N	306.475	3.704	50	20	DHGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)N1CC=C(C#N)CC1	780687279	PFGNGFYRTOEOAL-LLVKDONJSA-N	306.818	3.503	50	20	DHGD	
C[C@@H]1CCC[C@@H](C)N(C(=O)[C@@H](Br)C(C)(C)C)C1	781093169	DMAUIUVMNPUTHJ-IJLUTSLNSA-N	304.272	3.833	50	20	DHGD	
CC(C)CSCCCOC(=O)/C(C#N)=C\c1ccccc1	785378600	PVBSSNGFTJSVJW-WJDWOHSUSA-N	303.427	3.916	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)Cc1ccc(C)cc1C	790713340	HVIPOYVWYIQHFR-CYBMUJFWSA-N	312.504	3.545	50	20	DHGD	
CC(=NNC(=O)c1ccncc1)[C@@H](C)c1ccc(Cl)cc1	794444553	DHYGFSMGQJVTCD-LLVKDONJSA-N	301.777	3.644	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)nc2)c(C)cc1Cl	795149123	PHXIPUZKRIEMNL-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
C=C(CBr)COC(=O)[C@H]1C[C@H]1c1sccc1C	795562045	NCNFVKBEHOHJMC-MNOVXSKESA-N	315.232	3.654	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(C(C)(F)F)cc1	796262452	CBYVCWWESZMACN-VIFPVBQESA-N	321.161	3.986	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cc(C2CC2)no1	799696098	NMBMSYRKTWKCPW-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cc(C2CC2)ccn1	810323231	BDJFFOWGJFZHNA-UHFFFAOYSA-N	302.765	3.761	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)NNc1cccc(C#N)c1)CCC2	813852930	WPUKFTFHQFAUSZ-GOSISDBHSA-N	320.396	3.570	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CC[C@H](Cc3ccccc3)C2)n1	814921149	DIELYFZTTUKOBI-MRXNPFEDSA-N	307.397	3.519	50	20	DHGD	
C/C=C\COc1ccc(CCC(C)=NNC(=O)CC2CC2)cc1	814988490	IWRBLBNISWKFMY-RHLCAJTLSA-N	314.429	3.866	50	20	DHGD	
CCOc1ccc(NNC(=O)CCc2cc(C)cc(C)c2)cc1	817915118	CKHCQOJOVZGGBY-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc3c(c2)C[C@@H](C)O3)c(C)c1	830791944	PVOOZYHCCSKFMG-CQSZACIVSA-N	310.397	3.692	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C1[C@@H]2CCCCCC[C@@H]12	830806554	PCCDORDGSDIOLK-ZIAGYGMSSA-N	324.371	3.948	50	20	DHGD	
COc1ccc(-c2ccccc2C)cc1C=NNC(=O)C1CC1	841604479	LLTUXPBVKFVJQU-UHFFFAOYSA-N	308.381	3.531	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)Cc2ccc(C#N)cc2)c(C)c1	847600425	NZPMFTACFLHFDG-INIZCTEOSA-N	321.424	3.805	50	20	DHGD	
CC[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(F)cc1O	857083800	ZZCGNFOWAWAOFE-YUTCNCBUSA-N	316.214	3.746	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)[C@@H](F)c1ccccc1	859639360	YXGPTCFYWMCELT-STQMWFEESA-N	315.182	3.662	50	20	DHGD	
C[C@H](NNC(=O)C1CCC(c2ccccc2)CC1)C(F)(F)F	862311115	JPNKUBPJDVJDIK-XGNXJENSSA-N	314.351	3.532	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(F)c(Cl)c1)c1ccccn1	863082693	ORRLVEUZUOEHCF-LBPRGKRZSA-N	321.783	3.901	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CS(C)(=O)=O)cc1	863344838	RVUKJMNGYCCSEP-UHFFFAOYSA-N	314.523	3.753	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccc(F)c(F)c1	885113680	IMWUUMGWQDNSQW-UHFFFAOYSA-N	305.328	3.549	50	20	DHGD	
C[C@]1(C(=O)N2CCC[C@@H](c3ccccc3)C2)C[C@@H]1Br	908371670	DRTYVCGLOSFJQZ-YCPHGPKFSA-N	322.246	3.566	50	20	DHGD	
CC(C)CC(=O)NN=C1CCCc2[nH]c3ccc(F)cc3c21	914555279	NNPTZZIOZSSSNP-UHFFFAOYSA-N	301.365	3.510	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2ccc3c(c2)CCCC3)c1	916549912	XKKQJNURNPJPPG-UHFFFAOYSA-N	308.425	3.868	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)c2c[nH]c3ccccc23)c1	917532238	PCYJHXZCYQQMFZ-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C2/COc3ccc(F)cc32)cc1	918154336	KLGHFZQLANRBCX-MSUUIHNZSA-N	322.339	3.696	50	20	DHGD	
Cc1oc(C(C)(C)C)cc1C(=O)NNc1c(F)cccc1F	935020318	NASJMZALMNZSSK-UHFFFAOYSA-N	308.328	3.921	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H]2C=CCCC2)c1C	1252867937	ANDDEFANKQMKFG-XCMFGDQWSA-N	311.429	3.647	50	20	DHGD	
O=C(Nc1ccc2oc(CO)cc2c1)C1CCC(Cl)CC1	1528457947	GDVOVCVMRMNLHI-UHFFFAOYSA-N	307.777	3.661	50	20	DHGD	
N#CC(C#N)=Cc1ccc(OC(F)(F)[C@H](F)C(F)(F)F)cc1	7155058	CFDRBGRVVKWPPG-LLVKDONJSA-N	320.192	3.989	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNc1ccccc1	70716209	RIHONNLEIXYQCF-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc(Cl)cc2Cl)n1	124554367	RAADLMSXKDLYDR-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3ccc(F)cc3F)ccc2n1	127044748	TZUILLFENRWULI-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCCc2ccc(C)s2)c1	150826352	OZMFWXYTKCZEPP-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1C[C@@]12CCCc1ccccc12	154414962	DQIXDBWQGNHMIB-IEBWSBKVSA-N	310.372	3.563	50	20	DHGD	
CC(C)(C)Oc1ccc(CNC=C(C#N)C#N)c(C(F)(F)F)c1	174586445	DAAREYLXERVLRP-UHFFFAOYSA-N	323.318	3.903	50	20	DHGD	
CCN(C[C@H](C)CBr)[C@H](C)c1cccc(O)c1	248751791	SSXMRQKMWQSZME-VXGBXAGGSA-N	300.240	3.806	50	20	DHGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNc2cccc(F)n2)cc1	287206679	ZOMGANKPOQMVEN-LLVKDONJSA-N	318.352	3.547	50	20	DHGD	
CCCCCCC(C)=NNC(=O)c1cc(Br)c[nH]1	725839314	QMYGEWDFXLNKAO-UHFFFAOYSA-N	314.227	3.853	50	20	DHGD	
C=CCC(=NNC(=O)Cc1ccc(F)cc1)c1ccc(F)cc1	735611919	GHYFCZSHQDNRCI-UHFFFAOYSA-N	314.335	3.604	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1cc(C)c(F)c(C)c1	741461593	LMYGADPKPMINCQ-UHFFFAOYSA-N	314.360	3.611	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2ccccc2Cl)c(C)c1	743765434	PMPNIKDVSUWHAH-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
CO[C@]1(C)CC(=NNC(=O)c2ccc3ccccc3c2)C1(C)C	746565945	RSBCFAJGPDBMAI-LJQANCHMSA-N	310.397	3.761	50	20	DHGD	
COc1ccccc1CC(=O)NN=Cc1cc2ccccc2s1	758372613	PABKROZMWRFUPY-UHFFFAOYSA-N	324.405	3.603	50	20	DHGD	
CCC(CC)(CNC(=O)[C@@H](Br)C(C)(C)C)SC	768199936	NPRSLNBIBUBBFJ-SNVBAGLBSA-N	324.328	3.834	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N[C@@H]1CC12CCCCC2	768385699	UXECUBXZTRUENI-MNOVXSKESA-N	302.256	3.635	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)c1cccc(N(C)C)c1	769567518	AYHXZROQJMRIFQ-ZIAGYGMSSA-N	301.434	3.685	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@H](C)CCC2CC2)cc1	769644210	GDDQKLIZSHAPRW-RFRKOGIWSA-N	312.413	3.687	50	20	DHGD	
Cc1cccc(C)c1OCC(=O)NNc1c(F)cccc1Cl	770197881	LJNKTXAJWGPCFY-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=CC(C)(C)CCC#N	773092788	BZOSBGACSDXJDH-LBPRGKRZSA-N	321.808	3.539	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)NCCc1cccs1	774366443	KIAGCXYKGSMSIC-UHFFFAOYSA-N	321.368	3.698	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc(Cl)cc1F	775427604	DMZDECZQHCZCRB-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
O=C(CCCc1ccsc1)NNc1ccc2ccccc2n1	783603275	OSBGXVDGUMMMEJ-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2c(F)cccc2F)c1C	792483560	XRHIXTMHGOVMAH-SECBINFHSA-N	323.347	3.589	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CC[C@@H](c2cccc(F)c2)C1	793474171	JSVGONQTAXWKGJ-RHSMWYFYSA-N	313.376	3.788	50	20	DHGD	
Cc1c(NNC(=O)[C@@H](F)CC2CCCCC2)cccc1[N+](=O)[O-]	793709771	FUVSNDFVEKLVJL-ZDUSSCGKSA-N	323.368	3.655	50	20	DHGD	
O=C(NN=C1CCC(C(F)F)CC1)c1cccc(Cl)c1	799470358	VVILYGYUASYEOM-UHFFFAOYSA-N	300.736	3.881	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1cc(O)ccc1Cl	810684897	BHZAAXRXSUQNAY-UHFFFAOYSA-N	316.788	3.681	50	20	DHGD	
C[C@H](O)CC(C)(C)CNCc1ccc(OCCCCl)cc1	811482502	YLJNOTUOSNDVKP-AWEZNQCLSA-N	313.869	3.581	50	20	DHGD	
N#C/C(=C\c1cnn(CC(F)F)c1)C(=O)c1cccc(Cl)c1	814182721	LFLRKUNJPVKOTL-UUILKARUSA-N	321.714	3.591	50	20	DHGD	
Cc1cccc2sc(NNC(=O)c3cccn3C(C)C)nc12	828362800	RAIHAORIZBIXCY-UHFFFAOYSA-N	314.414	3.744	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1ccc(C2CC2)cc1	832390328	TYJZMLFOHKLHTG-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cn2)c1	832395628	PXEYBIXHQQZIOD-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CO[C@H](C1CC1)[C@H](C)NC(=O)CCCC[C@@H]1CCSS1	837008375	NJKLQKOMBPQEQH-LNSITVRQSA-N	317.520	3.630	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](C)N2[C@H](C)CC[C@H]2C)cc1	837055786	LPANWRGCOKXUMX-KFWWJZLASA-N	303.450	3.514	50	20	DHGD	
CO[C@H]1CCC[C@H](C(=O)NNc2cccc(Cl)c2Cl)C1	838344365	FSBWASLBRSNGNL-UWVGGRQHSA-N	317.216	3.642	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(Cl)s2)c(C)c1	839400039	DZFMXYILHUDJMK-UHFFFAOYSA-N	321.833	3.581	50	20	DHGD	
N#CC1=CCN(Cc2cccc(Br)c2Cl)CC1	839530690	CSZUZEXAPOQINP-UHFFFAOYSA-N	311.610	3.758	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1C[C@H]1c1ccco1	839923970	DMAZCFNGEQWLRU-YNEHKIRRSA-N	311.472	3.966	50	20	DHGD	
Cc1cc(CN2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)no1	844334076	BMHIXLVVXDCBER-OAHLLOKOSA-N	310.514	3.969	50	20	DHGD	
Cc1ccc(-c2ncc(C=NNC(=O)C3CCC3)s2)cc1C	848405640	SKHSINKVFDRGQG-UHFFFAOYSA-N	313.426	3.677	50	20	DHGD	
O=C(NN=CC1CCSCC1)c1c(Cl)cccc1Cl	853302646	KIKNFXXYDFCTCB-UHFFFAOYSA-N	317.241	3.852	50	20	DHGD	
O=C(NNc1cc(F)cc(Cl)c1)C1(C(F)F)CCCC1	855620564	YPZFFTVTOGXZPO-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
C[C@]1(CNCc2ccccc2OC(F)F)C[C@@H]1Br	856808098	USVIALOGKUDSLK-WCQYABFASA-N	320.177	3.551	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(F)cc2)c1C	915856577	ULXMGHVHHUAJIM-LFIBNONCSA-N	324.355	3.869	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2cccc(Cl)c2)c(F)c1	916279017	JVBMYXDDILCZGX-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)OCCCC(C)C)cc1	918495286	HKDOOVPAXVHBGB-FOWTUZBSSA-N	301.386	3.972	50	20	DHGD	
CSc1ccc(CCNC(=O)C2CCC(Cl)CC2)cc1	1263818406	VVJSBWQEBXUXPB-UHFFFAOYSA-N	311.878	3.865	50	20	DHGD	
CCc1cc(OCC(=O)NNc2ccc(F)cc2)ccc1Cl	1323317150	KHVIEEOXCVWGRQ-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CC(Cc1ccccc1Cl)=NNC(=O)OCC(F)(F)F	1330028380	DYXUIPMREFRLOM-UHFFFAOYSA-N	308.687	3.547	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1nccnc1C1CCC1	1342783722	KYKJCZUSBDEHAG-ZDUSSCGKSA-N	316.449	3.794	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1c(F)cc(C(=O)O)cc1F	1776708264	YPTRXBRRBVZCAC-WZUFQYTHSA-N	307.296	3.575	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc(OC)c1	7157005	OVNWWNFHLMEYGZ-OVCLIPMQSA-N	322.364	3.558	50	20	DHGD	
COc1ccc(C)cc1COC(=O)/C(C#N)=C/c1ccc(C)cc1	7765597	GJUUICBOYGCOSN-GZTJUZNOSA-N	321.376	3.962	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2ccccc2)cc1	7896486	QSUBNDSUBAOBRB-RFRKOGIWSA-N	307.349	3.907	50	20	DHGD	
Cc1ccc(NNC(=O)COc2ccc3ccccc3c2)cc1	120476732	VBBCNRPFQGZYJP-UHFFFAOYSA-N	306.365	3.670	50	20	DHGD	
CSc1cc(C(=O)NNc2ccc(F)cc2F)ccc1F	128346423	NGLCHMGABXHGMO-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2ccc(OC3CCCC3)cc2)c1	152255622	BAIZUDXONWDEHS-UHFFFAOYSA-N	321.380	3.637	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)[C@H]1COc2ccccc21	178873256	YLLRVSFFTZLAJR-NSHDSACASA-N	323.179	3.613	50	20	DHGD	
CSCCCCC(=O)NNc1nc2ccccc2cc1C	181326000	GDNFDVKEYSTQKG-UHFFFAOYSA-N	303.431	3.520	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccncc2F)cc1	184227188	WPHDLQFXTPUAFO-UHFFFAOYSA-N	302.353	3.667	50	20	DHGD	
CSc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)cc1	188083030	LFCSGAMANLTPAM-RAXLEYEMSA-N	310.378	3.660	50	20	DHGD	
N#C/C(=C\c1csc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1	215954620	BGGYMHSTWQKYTO-VZUCSPMQSA-N	301.283	3.629	50	20	DHGD	
CC(C)C[C@@](C)(CN)NC(=O)CCCC[C@H]1CCSS1	236654689	NVVKRWPFMHTHSZ-ZFWWWQNUSA-N	318.552	3.580	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cn(C)nc2-c2ccccc2)n1	255007092	BRZIGBMFWGPNLN-ZSOIEALJSA-N	306.394	3.916	50	20	DHGD	
O=C(/C=C\c1nc2ccccc2s1)NNc1ccc(F)cc1	255476119	APHYWMNXHXEEAF-KTKRTIGZSA-N	313.357	3.592	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1scnc1C1CCCC1	273545583	AEXCUAXTCCMJCM-UHFFFAOYSA-N	323.368	3.836	50	20	DHGD	
N#C/C(=C/c1ccc2occc2c1)c1nnc2n1CCCCC2	285603338	UPHJOGRTIWFBPB-PTNGSMBKSA-N	304.353	3.815	50	20	DHGD	
Cc1cnccc1OC1CCN(/C(=C/C#N)c2ccccc2)CC1	370751778	YANZYIRUWNJTPN-FBCYGCLPSA-N	319.408	3.798	50	20	DHGD	
COc1cc(/C=C(/C#N)c2nc(C)cs2)c2c(c1)C[C@H](C)O2	588616493	NYUSDJDJIDLPMO-RCROBYIUSA-N	312.394	3.848	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(C(=O)O)cc3)[nH]c12	735620385	YULZYGFKRBDVJX-NTEUORMPSA-N	303.321	3.634	50	20	DHGD	
Cc1nc(/C(C#N)=C/c2c(Cl)nc(Cl)n2C)sc1C	741475282	XFDSPLVMJVGQLN-XBXARRHUSA-N	313.213	3.864	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccncc1	741765885	MGYSYUKEOXYIHX-UHFFFAOYSA-N	302.765	3.589	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=CC2CCCCCC2)c1	741837004	KKYPMWVASACVRC-UHFFFAOYSA-N	302.418	3.755	50	20	DHGD	
CC(=NNC(=O)c1c(C)nc2ccccn12)[C@@H](C)c1ccccc1	746366473	NSMGVPUICROTLQ-CYBMUJFWSA-N	320.396	3.552	50	20	DHGD	
CC(C)[C@@H]1CCCC1=NNC(=O)c1cccc(Br)c1	747764047	LACWFDCEGRLMLB-ZDUSSCGKSA-N	323.234	3.991	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1ccc(F)cc1C	748562530	ILGLHMJZCVUPGL-KRWDZBQOSA-N	316.376	3.743	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccccn2)C[C@@H](c2ccccc2)C1	749853726	VDPYIKHZTNIOAJ-ZBFHGGJFSA-N	307.397	3.771	50	20	DHGD	
CN(CCOc1ccc(F)cc1)/C(=C\C#N)c1ccc(F)cc1	750600473	XYCCLACCBAKLGS-ZDLGFXPLSA-N	314.335	3.840	50	20	DHGD	
CC(C)c1ccccc1OCCC(=O)NNc1cccc(C#N)c1	752142463	PDROPWYGFCPXRS-UHFFFAOYSA-N	323.396	3.594	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc3occc3s2)cc1Cl	753314092	ZDRSHEMXJGHVPV-UHFFFAOYSA-N	317.757	3.776	50	20	DHGD	
CSCCC=NNC(=O)c1ccc(OCCC(C)C)cc1	755533446	PEGDEZDLHMHLHG-UHFFFAOYSA-N	308.447	3.580	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(Br)cc1C	759115460	BQTCQKOXIMBBRG-LCYFTJDESA-N	321.218	3.581	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc3ccccc3c2O)c1	760141626	RZJZZHSWNKSOJU-UHFFFAOYSA-N	310.328	3.750	50	20	DHGD	
Cc1cccc2c1CCN2/C(=C/C#N)c1cccc([N+](=O)[O-])c1	764325666	JBNLEPCHMSNANM-CAOOACKPSA-N	305.337	3.830	50	20	DHGD	
CC(C)c1cccc2c1OCCCC2=NNC(=O)c1ccccn1	768486078	IIAOOUZJQIXVRR-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc2cc(O)ccc2c1	770333890	YFYXEHXMMJGSOH-SNVBAGLBSA-N	323.186	3.733	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1cccnc1	770552062	GNNRTIUQSGMHJY-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)NOC1CCCC1	775486425	LPJBWPGABOMUKC-UHFFFAOYSA-N	322.167	3.633	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1C[C@H](c2ccccc2)[C@@H]2CCCC[C@@H]21	777398617	VLCXDFLWNLMJIO-AVTLWLSGSA-N	324.424	3.615	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2cc(F)c(F)cc2F)CC1	783685843	KCSUZJDUZKFTGT-MGCOHNPYSA-N	300.324	3.763	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCc1ccc(Cl)cc1C#N	785347265	DKLSRDBHECRNDI-LZYBPNLTSA-N	322.751	3.862	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)o1	785359538	UTUIUHAGIHFQRU-CFHVRRAGSA-N	324.355	3.765	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCCN2c2ccccc2)c(C)c1	787461798	PIWBPTXBGYTOSZ-SFHVURJKSA-N	323.440	3.724	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)CCc1ccccc1O	789003582	BMNQFXBZLXIENK-UHFFFAOYSA-N	302.418	3.953	50	20	DHGD	
CC[C@@H](C(=O)NN=CC1(OC)CCCCC1)c1ccccc1	790164103	LJYGTUYUYHVLQM-MRXNPFEDSA-N	302.418	3.632	50	20	DHGD	
O=C(NNc1ccc(Cl)nn1)c1ccc(C2CCCC2)cc1	810419823	QIDBBUIXBAOFJS-UHFFFAOYSA-N	316.792	3.545	50	20	DHGD	
CO[C@@](C)(C=NNC(=O)c1ccc(Cl)cc1Cl)C1CC1	814762272	USFYYFPMOSADMH-AWEZNQCLSA-N	315.200	3.524	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](CC)C(F)F)c1C	833204712	TXLLNSNYBCIZLH-KQGZCTBQSA-N	323.387	3.582	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2ccc(F)cc2)c2ccccc2O1	839487303	KMQFIKVAPAIYRS-OAHLLOKOSA-N	314.360	3.614	50	20	DHGD	
CCCCCCO[C@H](C)C(=O)NNc1nccc2sccc12	839682980	KIFXYNOQSUITSK-GFCCVEGCSA-N	321.446	3.725	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2ccc([C@@H]3C[C@@H]3C)o2)cc1F	856230906	HRDRDWSHVNTTLW-SWLSCSKDSA-N	316.376	3.926	50	20	DHGD	
Cc1ccc(C(=O)NC[C@]2(C)C[C@@H]2Br)c(Cl)c1	857391882	VEROLJXLHFLJIX-AAEUAGOBSA-N	316.626	3.552	50	20	DHGD	
C[C@@]1(CNC(=O)C2CCCCCCC2)C[C@@H]1Br	857399529	WZZCAMVEWYKEOT-JSGCOSHPSA-N	302.256	3.637	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC(=O)C2CCCCC2)cc1	913228437	JAGQHFQDKHLJGL-BOPFTXTBSA-N	311.381	3.595	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccccc3F)cc2C1	916353402	LXNQAURDJVHRCH-LLVKDONJSA-N	316.401	3.776	50	20	DHGD	
N#C/C(=C\c1ccccc1-c1ccccc1)C(=O)N1CCCC1	917516012	HCJMIERLQWDLOT-NBVRZTHBSA-N	302.377	3.883	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)[C@@H](C)CC)c1C	920016253	VKGOBPNUGUUNHB-OKCCESLHSA-N	315.461	3.973	50	20	DHGD	
CC(C)c1cc(NC(=O)[C@@]2(C)C[C@H]2Br)ccc1O	922379771	KNPAUHCXHMGZPJ-OCCSQVGLSA-N	312.207	3.628	50	20	DHGD	
C[C@@]1(CNCc2ccccc2N2CCCC2)C[C@@H]1Br	1118752942	VCZHLZPLZQTHJQ-HOTGVXAUSA-N	323.278	3.550	50	20	DHGD	
Cc1cc(NNC(=O)c2nc(C3CC3)cs2)ccc1Cl	1124032454	GPYFUBXJAXHTDK-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
C[C@@H](NC(=O)NN(C)c1ccccc1)c1ccc(Cl)c(F)c1	1322550008	FERXEJIOSKYUBW-LLVKDONJSA-N	321.783	3.891	50	20	DHGD	
CC[C@H](COC(=O)/C(C#N)=C\c1ccc(O)cc1)CC(F)F	1333212070	PBPZTGYIPIEVDL-HKMIMPICSA-N	309.312	3.524	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	1337626745	XIJTUOAPAJIHKT-UXBLZVDNSA-N	319.769	3.906	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)C(C)(C)C)c1OC(F)F	33466776	JUVXGNUOFJDWNV-FLIBITNWSA-N	309.312	3.819	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C(C)(C)Oc2ccc(F)cc2)c1	119945001	OSCSCJHHVUOIEO-UHFFFAOYSA-N	316.376	3.743	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1ccc(OCC(F)(F)F)cc1	124684933	VCENPLFMEJMPDA-NSHDSACASA-N	318.339	3.897	50	20	DHGD	
COCCOc1ccc(/C=C(/C#N)c2nc(C)c(C)s2)cc1	125392720	GOSKJURLSNIRGL-GDNBJRDFSA-N	314.410	3.849	50	20	DHGD	
O=C(COC/C=C/c1ccccc1)NNc1cccc(Cl)c1	127285574	VGIZVTGZHVYJBR-VMPITWQZSA-N	316.788	3.513	50	20	DHGD	
C[C@H](CBr)CNC1(c2nccs2)CCCC1	134000590	PLGLBUMLRMORKN-SNVBAGLBSA-N	303.269	3.533	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C)cc(Br)c2)cc1	138591849	CBPWQPJEOYVDAC-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnn(-c3ccccc3)c2)cc1	154303417	WVDRIWVDISQWKB-WOJGMQOQSA-N	313.360	3.971	50	20	DHGD	
CCCOc1ccc(CCC(=O)NNc2cccc(C)c2)cc1	175227829	BBIGZWCIFSGHBN-UHFFFAOYSA-N	312.413	3.860	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2ccc(F)cc2C)cc1C	180774812	PIMPTPVTPKMYOA-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1c(C)cccc1F	184314145	FEZWNKFMDALEIX-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
CC(C)Oc1ccccc1/C=C(/C#N)C(=O)NCc1ccccc1	208718169	BTGKOBNWTFROIW-PDGQHHTCSA-N	320.392	3.697	50	20	DHGD	
N#CC1=CCN(C(=O)/C=C\c2cc(Cl)cc(Cl)c2)CC1	492580923	KRZGCOWDQYUXQU-UPHRSURJSA-N	307.180	3.689	50	20	DHGD	
C/C(=C/C(=O)NNc1c(C)cccc1F)c1ccc(F)cc1	588495530	YTYNTNAIONWHGH-BENRWUELSA-N	302.324	3.820	50	20	DHGD	
CCC(Cc1ccc(C)cc1)=NNC(=O)CCc1ccccc1O	731927667	MYZAEUNDGLKZPL-UHFFFAOYSA-N	324.424	3.758	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)c2ccc(CN(CC)CC)o2)C1	734980404	RYCPTYUAAPXCFJ-CQSZACIVSA-N	319.449	3.807	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1c[nH]c2ccc(F)cc12	747047670	DTWYPVSIEPOEOI-UHFFFAOYSA-N	310.332	3.771	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2ccccc2Br)C1	748065437	BEZXEBFJVBGVMJ-RGAIUGGKSA-N	309.207	3.639	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc2ccccc2n1	749811916	GMNCIRFVJVAMIK-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1c1ccccc1)c1ccccc1O	751382187	OAEQLMZTXWNHQM-OAHLLOKOSA-N	308.381	3.836	50	20	DHGD	
N#C/C(=C\c1ccc(Br)c(Cl)c1)c1ccncn1	754824526	LIKQLFPOMFGGAP-BJMVGYQFSA-N	320.577	3.957	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cnc(C(C)C)s1)c1ccccc1	758368781	ADMGHFOWYVMFPJ-HNNXBMFYSA-N	315.442	3.910	50	20	DHGD	
CN(CCOC(C)(C)C)C(=O)CCCC[C@H]1CCSS1	768350455	DAZHVZOVUBWSOI-ZDUSSCGKSA-N	319.536	3.974	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1c(F)cccc1Cl	770196694	DLZYBBGLHUOPID-SECBINFHSA-N	304.818	3.844	50	20	DHGD	
C[C@@H]1CC/C(=C/C(=O)NNc2ncc(Cl)cc2Cl)C1	775272218	BIWUWAFNBSFXTR-CPJBWDMUSA-N	300.189	3.578	50	20	DHGD	
N#C/C(=C\c1cncs1)C(=O)c1ccc(OC(F)F)cc1	776264816	JHRVFPUWQDLHFJ-BJMVGYQFSA-N	306.293	3.534	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2cc(Cl)cs2)c1	782134914	GXPCKLPTQODXCT-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)COC(=O)/C(C#N)=C/C2CC2)cc1	786665170	CZBWVHASGIPOJN-XNTDXEJSSA-N	311.381	3.570	50	20	DHGD	
CCCCc1ccc(C(=O)COC(=O)/C(C#N)=C/C2CC2)cc1	786670473	RGOCXBCRPLPWLL-GZTJUZNOSA-N	311.381	3.615	50	20	DHGD	
Cc1ccc(C(=O)NNc2ncccc2Cl)c(F)c1Cl	790719891	YWLYNXOBPYRZFG-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C=C(CBr)CN(C)c1ccc(OC)c(Cl)c1	791471976	CQGPZUYMAIOYGO-UHFFFAOYSA-N	304.615	3.736	50	20	DHGD	
C=C(CBr)CN1C[C@@H](C)CN(C)c2ccccc21	791477004	JDBJLOWKVKCBNL-ZDUSSCGKSA-N	309.251	3.530	50	20	DHGD	
COc1ccc([C@H](C)C(C)=NNC(=O)OC(C)(C)C)cc1OC	794455189	MRGHROYXZAXXDT-LLVKDONJSA-N	322.405	3.708	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(/C#N)c2nc(C)cs2)c1	797406953	ZZGUDTSRZBPKQF-SDQBBNPISA-N	318.785	3.956	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)c2ccoc2)cc1OCC	798231337	XNLJCGHLCPEMBB-OQLLNIDSSA-N	311.337	3.867	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H](C)c2ccc(C(F)(F)F)cc2)c1	799101966	VTZYXTRTLOOHPJ-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2c(F)cccc2[nH]1	799758910	CNWFYBRGFAETGG-UHFFFAOYSA-N	311.360	3.935	50	20	DHGD	
Cc1cc(OC(=O)c2ccc(C(C)C)cn2)ccc1[N+](=O)[O-]	810534029	CWHVHWVAFFPROY-UHFFFAOYSA-N	300.314	3.641	50	20	DHGD	
Cn1ncc(Cl)c1/C=C(/C#N)c1cc(C(F)(F)F)ccn1	812248216	GXHSYGTZLWGLPK-YWEYNIOJSA-N	312.682	3.551	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)CSc1ccccc1O	814970187	HIOOJAIZHZMYKM-UHFFFAOYSA-N	306.431	3.723	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1CCCO)Nc1ccc(Cl)cc1	815005094	RZZJPRVFNFJKIT-LBPRGKRZSA-N	323.824	3.780	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CCC[C@H](C)C1	816486905	XBFHCZFSSXWFAV-NWDGAFQWSA-N	324.856	3.913	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2ccc(C)cc2Cl)n1	836938085	XZKHFCPMSLDZMJ-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
Cc1ccc(NNC(=O)NC2CCC(F)(F)CC2)c(Cl)c1	838528963	OAKWYLLAHBLHKA-UHFFFAOYSA-N	317.767	3.852	50	20	DHGD	
CC(C(=O)NNc1cc(F)ccc1Br)=C1CCC1	840533019	ZUCQYJLMFOZZLV-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
CCC(CC)(C(=O)NNc1ccccc1C)C(=O)OC(C)(C)C	844313963	AEAWYZQRDRNTNE-UHFFFAOYSA-N	320.433	3.586	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1ccccc1CC(C)C	846641734	NKWKHIOVGCSNKD-UHFFFAOYSA-N	316.376	3.790	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(CCCCCCO)C1	852525171	UZUZTXMOBIRJCH-HNNXBMFYSA-N	301.547	3.635	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(Br)c(Cl)c1	853343415	DGCGUEHGRFKLQU-UHFFFAOYSA-N	319.586	3.525	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccc3c(c2)CCC=C3)C[C@H]1Br	857391200	MOBASBYELWYZDA-ZBFHGGJFSA-N	320.230	3.549	50	20	DHGD	
C[C@]1(CNC(=O)CCC2CCCCC2)C[C@H]1Br	857401942	BTHXHBMOUIOQNC-TZMCWYRMSA-N	302.256	3.637	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)ccc1F)C(=O)C1CCCCC1	865221128	COLFYPNILZDCIQ-NTEUORMPSA-N	301.317	3.580	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)CNc1ccccc1	915918785	MUERCFDOFRACGO-INIZCTEOSA-N	301.434	3.973	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cccc(OCc2ccccc2)c1	915977416	UGERSPYYKUQTLO-OAHLLOKOSA-N	310.397	3.762	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C2C=C(C)CC2)cc1OC	916349025	URGJTYUHYBCYRZ-UHFFFAOYSA-N	316.401	3.700	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc3ccccc3c2)cc(C)c1O	917546576	BEZIALSIWUZBHI-UHFFFAOYSA-N	318.376	3.926	50	20	DHGD	
CC1(CCC(=O)NNc2ccc(C#N)cc2C(F)(F)F)CC1	935819269	RFOFURZSLVAMSB-UHFFFAOYSA-N	311.307	3.600	50	20	DHGD	
CC(C)[C@@H](CNC(=O)C1CCC(Cl)CC1)c1cccnc1	1346394258	FMUDLZZPLZBAPW-AVVWSFFYSA-N	308.853	3.735	50	20	DHGD	
COc1ccc(C2=CCN(C(=O)C3CCC(Cl)CC3)C2)cc1	1548678325	NXRBEKQFLRLDBB-UHFFFAOYSA-N	319.832	3.718	50	20	DHGD	
CCC(=O)/C(C#N)=C\c1ccc(-c2cccc(C(=O)O)c2)s1	1776676024	WOGJAABQBHJRRU-LCYFTJDESA-N	311.362	3.999	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)ccc2F)cc1C	1777433555	BJAIBGPJQPILPK-SXGWCWSVSA-N	323.323	3.931	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2ncccc2Cl)c(C)s1	84631927	KMQQWIGDRGWEGT-UHFFFAOYSA-N	323.849	3.879	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(F)c(F)c1F	120410291	ZZVDVEUSINGFNB-UHFFFAOYSA-N	320.314	3.740	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(F)cc1OCC1CC1	120671016	SEBHPTWRBICBND-UHFFFAOYSA-N	315.348	3.763	50	20	DHGD	
N#C/C(=C\c1csc(C2CC2)n1)C(=O)Nc1ccccc1F	141362113	SVBXAYKHKBPZGV-YRNVUSSQSA-N	313.357	3.705	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCCC[C@@H]1C(F)(F)F	156540471	XEHKMEFTVKZEOP-BDAKNGLRSA-N	322.277	3.777	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(Cl)c(Cl)[nH]1	158478355	GNGBXQSFTPOFNT-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
CC[C@@H](NNC(=O)c1c[nH]c2ccccc12)c1ccc(F)cc1	160687589	AMOBEXXJAKJSQQ-MRXNPFEDSA-N	311.360	3.693	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)o1	177614960	BCERHERWNKHVCU-GXDHUFHOSA-N	323.348	3.863	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1ccc(-c2ccccc2)cc1	182422723	SIZURAIKLYZZPV-UHFFFAOYSA-N	307.328	3.645	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2OC(F)(F)F)c(C)o1	190166260	BRKQPJBIEUDNOP-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	193165327	QVVXXDGRYAFZRR-NYYWCZLTSA-N	315.323	3.775	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cn(C(C)(C)C)nc1C	281733603	JNAVDYRUPLUEMF-UHFFFAOYSA-N	314.433	3.574	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1Br	295764125	BCWSNVPSEGAARD-IZZDOVSWSA-N	310.166	3.982	50	20	DHGD	
CC(C)c1ccc([C@@H](C)CC(=O)NNC(=O)c2ccccc2)cc1	303905268	TWMUESJJAQISKD-HNNXBMFYSA-N	324.424	3.765	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1nc(Cl)cs1	490781728	CSNRYJAEVOECPJ-POHAHGRESA-N	303.774	3.651	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cc(Cl)cs2)cc1	490974393	NDTAVQRDOOVKPJ-UXBLZVDNSA-N	318.785	3.956	50	20	DHGD	
CCC(=NNC(=O)CCCc1ccccc1)c1ccc(O)cc1	727688910	IXUQNZFPGWYPQE-UHFFFAOYSA-N	310.397	3.645	50	20	DHGD	
Cc1ccc(F)c(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)c1	734980129	FUYPDRSGGHJDFK-WYRKQZDXSA-N	300.377	3.736	50	20	DHGD	
COc1ccccc1-c1ccc(C=NNC(=O)C(C)(C)C)cc1	741460356	OLYGQWLMAPXZEN-UHFFFAOYSA-N	310.397	3.858	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	741670336	WGMQGXPOEZNUHT-VHSXEESVSA-N	311.769	3.518	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cc3ccccc3nc2Cl)o1	752172523	NHUBNMYHRVIZCH-UHFFFAOYSA-N	313.744	3.554	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	756773221	WKGCQFPSSQTBIX-YNEHKIRRSA-N	307.825	3.785	50	20	DHGD	
CC(=O)c1ccc(NC(=O)[C@H](Br)C(C)(C)C)cc1	767009981	PVJPSYLSEDPVMF-LBPRGKRZSA-N	312.207	3.637	50	20	DHGD	
N#CC(C#N)=CNCc1nc(-c2cc3ccccc3o2)cs1	773904052	BKYRFUIBTKDWSN-UHFFFAOYSA-N	306.350	3.577	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)[C@@H]1CCCO1	780846248	ZVWHXXSGCLKPMG-HOTGVXAUSA-N	319.449	3.568	50	20	DHGD	
CC1(C(=O)NNc2ccc(-c3ccccc3)nn2)CCCCCC1	781430101	ZCQSGBUVECYUGX-UHFFFAOYSA-N	324.428	3.947	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1csc(Cl)c1	787154433	JSIQTZWKEDKHFQ-UHFFFAOYSA-N	321.833	3.622	50	20	DHGD	
COc1cc(NNC(=O)Nc2cc(C)ccc2F)ccc1Cl	788541229	SIKOPVUIUOBAQC-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
Cc1csc(C(=O)NNc2ccc(F)c(F)c2F)c1Cl	790804804	RMEHAOZCXZKKLJ-UHFFFAOYSA-N	320.723	3.884	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c(Br)c1	794688754	NNTMTDPYLUPMRL-YRNVUSSQSA-N	322.202	3.980	50	20	DHGD	
C=C(CBr)COC(=O)CCCc1cccs1	795387389	OFEYWTFNKFGBAX-UHFFFAOYSA-N	303.221	3.565	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1cc[nH]c1C(C)C	803042124	XCXJZEUVEHYOOH-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1nccnc1C1CCC1	805463052	KFIJMDTVMIYPFN-AWEZNQCLSA-N	316.449	3.794	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC[C@@]1(C)CCCO	808741545	IZOTZPRTPSRYLS-INIZCTEOSA-N	301.547	3.635	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ccc(Cl)nc1	810461016	MEETURDQTZZDBN-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
OC[C@@H](NCc1ccc(OCCCCl)cc1)c1ccccc1	811480381	WBVCMBLDRUQBNP-GOSISDBHSA-N	319.832	3.518	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2cc[nH]c2n1	812767049	BLJBUXQGKYQRQY-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
COc1cc(C)cnc1C(=O)NNc1c(C)cccc1C(C)C	812769601	OPYXKFUPSXLPPV-UHFFFAOYSA-N	313.401	3.587	50	20	DHGD	
CC(C)CC(=O)NN=C1CC(c2ccc(Br)cc2)C1	814752448	NHPZWBQOCTWDSL-UHFFFAOYSA-N	323.234	3.845	50	20	DHGD	
COc1cc(Cl)cc(C(=O)NNc2cc(C)ccc2F)c1	815856352	ILIGILXYLKWLFP-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ncnc(Cl)c1C(C)C)C(C)C	816486353	ZGGJGKZMQRZALI-LLVKDONJSA-N	312.845	3.769	50	20	DHGD	
CC(C)CCCCC(=O)NNc1ccc(C(F)(F)F)cn1	837541775	TZUNDKUBCBESPU-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)CS1	840413812	LBQRAXDLQOKLII-RDDDGLTNSA-N	320.245	3.514	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccc3c(c2)CCN3)cc1	841276957	WQJFACHYBLXDFP-UHFFFAOYSA-N	310.401	3.927	50	20	DHGD	
CC(C)(O)CCN1CCC[C@@H]1CO[Si](C)(C)C(C)(C)C	844348368	WWKWNRRIMMGLQF-CQSZACIVSA-N	301.547	3.634	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCCN1CCn1ccnc1	844349275	KQHRVNYZPVDTOI-MRXNPFEDSA-N	323.557	3.759	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)NC1CC=CC1	845057920	ZDYOCKXGMRLTOL-UHFFFAOYSA-N	319.714	3.704	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2c(C3CC3)cnn2C)c1C	849246887	WZIWHOXEVDBIQH-OQLLNIDSSA-N	305.381	3.704	50	20	DHGD	
Cc1ccc(C(F)(F)F)c(NC(=O)NCC(Cl)Cl)c1	880111804	UTVNIVRYMVBBFF-UHFFFAOYSA-N	315.122	3.939	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N2CCc3ccccc32)cc1	887547649	SHNFUGGCKDTTPT-GHRIWEEISA-N	318.376	3.582	50	20	DHGD	
O=C(NCc1ccncc1C(F)(F)F)C1CCC(Cl)CC1	1123763007	GINRUQAFQNFLKS-UHFFFAOYSA-N	320.742	3.514	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(C)c2)c1	1319797972	AOCGOIHSUBZSQX-YBEGLDIGSA-N	322.320	3.754	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)ccc2F)c(C)n1CC1CC1	1335158060	BXJFARMYFAALGM-UHFFFAOYSA-N	319.355	3.550	50	20	DHGD	
Fc1ccc([C@H](CBr)OCC(F)(F)F)cc1	50481871	CVSPSWLFGHXRKR-VIFPVBQESA-N	301.077	3.841	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	92850144	KEXFXFQVFHQJOR-DSQDWWTGSA-N	307.397	3.999	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	92850146	KEXFXFQVFHQJOR-LUYJPIOASA-N	307.397	3.999	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)Nc1ccccc1F	102438075	FWRACMZJFXPFPM-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)N[C@H](c1ccccc1)C(C)(C)C	103306340	JMNGAHKOXIALLK-OAHLLOKOSA-N	319.449	3.540	50	20	DHGD	
O=C(CCc1ccccc1F)NNc1ccc(OC(F)F)cc1	122603120	YRAVCTDMHIRPJY-UHFFFAOYSA-N	324.302	3.503	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(Cl)cc(F)cc2Cl)nc1	124446148	QTOCMKMPDXXQBL-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CCC[C@@H](C(F)(F)F)C1	128490311	UQAIOQJXYJBCBF-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
O=C(CCc1ccccc1)NNc1ccccc1Br	153378673	RUWOCJWOZOTHKH-UHFFFAOYSA-N	319.202	3.525	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc(F)cc(F)c1)C1CCCCC1	158861370	WUDYIBRCFUQMCC-NTUHNPAUSA-N	304.340	3.663	50	20	DHGD	
COc1ccc(C(C)(C)C(=O)NNc2ccc(F)cc2C)cc1	160808774	RCRZHYKWMCPJIJ-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NOCCC(F)(F)F	162967275	VIWHEBUTBAVDEG-VIFPVBQESA-N	317.398	3.701	50	20	DHGD	
Cc1ccc(-c2ocnc2C(=O)NNc2cccc(C)c2)cc1	175229370	NCAQQKVVVOFUAB-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1ccc(Cl)s1	175472264	FIGBTLGFNVADGI-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
CC1=CC(=NNC(=O)c2ccc(COc3ccccc3)o2)CC1	252474762	LUCPVMOWJDNBJI-UHFFFAOYSA-N	310.353	3.685	50	20	DHGD	
CCCCCCCOc1ccc(/C=C(\C#N)S(C)(=O)=O)cc1	255537579	AXAKMTBVBYYZGV-GHRIWEEISA-N	321.442	3.945	50	20	DHGD	
N#CC1=CCN(C(=O)CCCc2cccc(C(F)(F)F)c2)CC1	274652706	FITZFIQPMFYDDX-UHFFFAOYSA-N	322.330	3.710	50	20	DHGD	
CCn1nc(NC(=O)NNc2cccc(Cl)c2)cc1C1CC1	274848304	QMVWLLPGUGTQRN-UHFFFAOYSA-N	319.796	3.582	50	20	DHGD	
COc1cc(SC)ccc1NC(=O)NCCSSC	284629512	CLXIECPSKWSOJP-UHFFFAOYSA-N	318.489	3.550	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2[C@H]3CCC[C@H]2CC3)cc1	490726378	QBPDUKXDUXCJDH-HHDOJMEMSA-N	310.397	3.536	50	20	DHGD	
CCN(CCP(=O)(c1ccccc1)c1ccccc1)C(C)C	727434699	QHVKHWCHSVXUME-UHFFFAOYSA-N	315.397	3.731	50	20	DHGD	
CC(C)(C)c1ccc(C=NNC(=O)CCc2ccccc2O)cc1	729934971	GXTIKAUUZWXGGP-UHFFFAOYSA-N	324.424	3.773	50	20	DHGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2cc(F)c(F)cc2F)C1(C)C	734554576	GSCYWEVXJPMLGD-XPTSAGLGSA-N	312.335	3.785	50	20	DHGD	
COc1ccc2c(c1)C(=NNC(=O)Nc1ccccc1C)CCC2	741839392	FSLQPERFAGUFJB-UHFFFAOYSA-N	323.396	3.866	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C#N)o2)c1C	742350162	RRJVNRYZFSAPRZ-NTEUORMPSA-N	305.337	3.546	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(Oc2cnccn2)cc1	743055583	GGLBXGBCBNJNGC-QQFZQELXSA-N	307.353	3.791	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@@H]1C(C)C	747752331	ZUQIRZLAWVQWON-GFCCVEGCSA-N	308.809	3.891	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2ccsc2c1	748570457	JAFKYQZSIBXZKH-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
COc1ccc(/C=C\C(=O)NNc2cccc3c2CCCC3)cc1	748574270	XAVBFSWLXXRERT-KAMYIIQDSA-N	322.408	3.731	50	20	DHGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2cccc3cnccc23)C1(C)C	748763960	OIGFLAIKKMFACV-RDJZCZTQSA-N	309.413	3.916	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(C(F)F)cc2)cc1Cl	753317185	QHRMPHGRDXNJGQ-UHFFFAOYSA-N	321.714	3.906	50	20	DHGD	
C[C@]1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCOC1	753995567	PZYGQTXMUJSMNW-LBPRGKRZSA-N	323.607	3.517	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=C[C@H]1C[C@H]1c1ccccc1	755701469	ZODKECRYJUOWFR-MSOLQXFVSA-N	317.392	3.547	50	20	DHGD	
Cn1ccc(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)c1	763099796	FFBZMUFFVASWDI-UHFFFAOYSA-N	318.591	3.742	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(Cl)c(F)c1	765874666	WLCHEMNRRUPDGI-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2c(F)cccc2Cl)cc1	769960316	MJYUEBMMOQNHRG-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
Cc1cc(SC(C)(C)C)ccc1NC(=O)NNC(=O)C(C)C	770355491	XTUROXIBLXRUEH-UHFFFAOYSA-N	323.462	3.694	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])cc1C	775710107	ZEUIYRKZAAPELU-UHFFFAOYSA-N	314.345	3.614	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1ccc(Cl)c(F)c1	777425837	MAGBAUADVUSOEW-UHFFFAOYSA-N	324.808	3.887	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C[C@H](C)C2CCCCC2)c1	780791323	JDUPSPZQIJIYHI-ZDUSSCGKSA-N	318.417	3.523	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccc3c(c2)CCO3)cc1	780803614	JVZPOTWAOKDQHT-UHFFFAOYSA-N	324.424	3.605	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCc1cccc(Cl)c1	781067245	UWJYUYSNWORRCI-NSHDSACASA-N	318.642	3.766	50	20	DHGD	
CC1(C)CN(C(=O)/C(C#N)=C\c2ccc(O)cc2)c2ccccc21	787435491	SCCAIYMXAFQPKX-PTNGSMBKSA-N	318.376	3.624	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)Cc1ccccc1Cl	790673960	QRYSAOYHDCEMBQ-SNVBAGLBSA-N	318.895	3.581	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc3occc3c2)c1	794692162	SOIJMQRWZUFTDC-WQRHYEAKSA-N	316.360	3.965	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCc1cc2ccccc2[nH]1	799563708	LJRSJYVRURKBQE-UHFFFAOYSA-N	322.412	3.865	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)OCc1ccccc1	799755057	SIUVOSGRWBHJCF-OAHLLOKOSA-N	312.413	3.606	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(C)nn(-c2ccccn2)c1C	801647886	JXTSDFDUIMQAQQ-PTNGSMBKSA-N	322.412	3.796	50	20	DHGD	
O=C(NNc1ncccc1F)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	804213802	QMWGRDOZRQNSCP-HZPDHXFCSA-N	321.355	3.621	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccc(Oc2ccccc2)cc1	804218564	WBTRGHHRGNGEAA-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1cnnc2ccccc12	806857766	WFOMPQNNOFZGPA-UHFFFAOYSA-N	300.406	3.679	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@H](Oc1ccccc1)c1ccccc1	808129369	RDOFGGUJCWHZLA-OAHLLOKOSA-N	324.207	3.727	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817006568	OPZVSWYRDWGBHE-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CC(CCCCC#N)=NNC(=O)CCSc1ccc(F)cc1	841611854	ACHOJQKVHIROOO-UHFFFAOYSA-N	321.421	3.884	50	20	DHGD	
N#CSCCCNC(=O)C1(Cc2cccs2)CCCCC1	854360436	OOCIRZXYGNMMPL-UHFFFAOYSA-N	322.499	3.962	50	20	DHGD	
C[C@@]1(CNCc2ccc(F)c3cccnc23)C[C@H]1Br	856808521	ZXAYRRNCYNOBBE-HIFRSBDPSA-N	323.209	3.637	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1[C@H]2c3ccccc3C[C@H]21	861914697	JOVBBIFTTMOKSC-VNQPRFMTSA-N	312.800	3.677	50	20	DHGD	
CCC(=NNC(=O)[C@H](C)CC)c1cccc(Br)c1	915975233	TZZWGQGMDPTQII-SNVBAGLBSA-N	311.223	3.726	50	20	DHGD	
Cc1csc([C@H](C)NC(=O)NNc2cc(Cl)ccc2C)n1	916493006	HJXVXLGBCKYRBA-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)cc2C)C1	928337039	ICFYBOJVTWHMFL-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
C[C@@H](CCc1cccn1C)NC(=O)c1cccc(CCl)c1	1337112478	BKGUDKXFEOCVEH-ZDUSSCGKSA-N	304.821	3.515	50	20	DHGD	
Cc1cccc2oc(C(=O)NNc3ccc(C(C)(C)C)nn3)cc12	1343206782	VXEOTHVRRIZGHJ-UHFFFAOYSA-N	324.384	3.586	50	20	DHGD	
O=C(Nc1cccc(-n2cccn2)c1)C1CCC(Cl)CC1	1346280111	SOVMURDQQKHRCG-UHFFFAOYSA-N	303.793	3.608	50	20	DHGD	
O=C(NCCc1cccc2cccnc12)C1CCC(Cl)CC1	1519215137	JCNFPPMKVPIYHW-UHFFFAOYSA-N	316.832	3.691	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1ccc(F)c(C(=O)O)c1	1601265413	LAPXJENWBJSLED-UHFFFAOYSA-N	322.380	3.718	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C/c2cncc(C(=O)O)c2)cc1	1776127611	YKNIDHCUSQZJNG-LZYBPNLTSA-N	320.348	3.522	50	20	DHGD	
COc1cccc([C@@H](C)CC(=O)NNc2c(F)cccc2F)c1	84632089	CKOOPDFGPXTPFA-NSHDSACASA-N	320.339	3.610	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cc(C#N)cc(Cl)n1	93543683	OFSLOTWYIDIZGY-ZDUSSCGKSA-N	320.824	3.656	50	20	DHGD	
Cc1ccc(NNC(=O)c2sccc2Br)cc1	120867399	MIHLJLGCVPJGBX-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(C)c2Br)c1	123576492	KWNVCKCTEZBBMC-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)nc(Cl)c2)c1	127612610	NNOOZBXSDRZPSB-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@H](C1CCCC1)C(F)(F)F	127827445	VHPYTFJVTXJIKT-GFCCVEGCSA-N	319.302	3.573	50	20	DHGD	
N#C/C(=C\c1cc(F)c(F)cc1F)C(=O)Nc1ccccc1F	128678737	WLFWFZOWZBCIOB-BJMVGYQFSA-N	320.245	3.789	50	20	DHGD	
Cc1cc(C(=O)CCC(=O)NNc2ccccc2F)c(C)s1	152791804	FEQJODXYHCKCGT-UHFFFAOYSA-N	320.389	3.610	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccccc2Br)cc1	153526918	KDLHVNCIPKLAKX-UHFFFAOYSA-N	319.202	3.768	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2cccc(OC(C)C)c2)c1	158911636	AAOXYXZXPOACEN-UHFFFAOYSA-N	312.413	3.776	50	20	DHGD	
O=C(NNc1ccncc1)c1cc2c(s1)CCCCCC2	180523149	CGBYOBMMGCEFRN-UHFFFAOYSA-N	301.415	3.559	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(Cl)nc2)cc1	181147354	AVNYOUBEMVRORM-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CSc1ccccc1	181320504	QJLHDUMXPIKBEB-UHFFFAOYSA-N	323.421	3.779	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1	254817936	BYQRLEONMURORQ-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccnn1-c1ccccc1OC	280295366	AQJYWGXCLBVHMO-WYMLVPIESA-N	323.396	3.793	50	20	DHGD	
C[C@H](CC(=O)NNC(=O)CCCc1ccccc1)CC(C)(C)C	727714983	AZFRIAUYJFTFAA-OAHLLOKOSA-N	318.461	3.619	50	20	DHGD	
Cc1ccc(C=NNC(=O)Cc2cccc3ccccc23)cc1F	731486774	VOKPLCNJLOZECK-UHFFFAOYSA-N	320.367	3.980	50	20	DHGD	
Cc1ccccc1COc1c(C)cc(/C=C(\C#N)C(N)=O)cc1C	734833915	UFHDJNGXUIHRJT-VCHYOVAHSA-N	320.392	3.583	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1O	735619694	PGUQAFNHZBSWEG-MDWZMJQESA-N	305.337	3.650	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)Oc2ccc3c(c2)CCC3)c1	748414918	YULYREUYODYXFO-HNNXBMFYSA-N	324.424	3.703	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2ccco2)C1	750045624	UVBMCXZZVMYUDH-FCDDLGMRSA-N	309.325	3.542	50	20	DHGD	
C[C@H](CCC(=O)NNc1cnnc2ccccc12)c1ccccc1	750537492	MSHZIHDIGUOESG-CQSZACIVSA-N	320.396	3.657	50	20	DHGD	
Cc1ccc(C(=O)NN=C(CC(F)(F)F)c2ccccc2)o1	752175323	SQPNVPBWBFBPJH-UHFFFAOYSA-N	310.275	3.675	50	20	DHGD	
Cc1cccc(CC(=O)NNc2ccc(F)cc2F)c1Cl	754214781	BQIHHPOGNKPGTA-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
C[C@@H]1CC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C[C@H]1C	756625399	KJTOWDLBPSHNCT-ITYXMMEOSA-N	300.377	3.674	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756773219	WKGCQFPSSQTBIX-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(Cl)c2cccnc12	760219990	WEDNREOEZRKIRG-UHFFFAOYSA-N	305.765	3.747	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)[C@H](C)Cc1ccccc1[N+](=O)[O-]	761259569	WCEFPFBSJXCDQN-GFCCVEGCSA-N	319.405	3.702	50	20	DHGD	
O=C(NNc1ccc(OC(F)(F)F)cc1)C1CCCCCC1	761600084	VHOMZTSSYSLAGV-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
C#CCCCOC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	766878157	OLQGVSKSWGOTQO-WOJGMQOQSA-N	312.413	3.625	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1sccc1O	769792213	USXBUKSRSQHYFU-UHFFFAOYSA-N	323.805	3.961	50	20	DHGD	
C#CCN(C[C@@H](C)CBr)[C@H]1CCc2ccccc21	770648164	OVEJIJZDWZVXPH-BBRMVZONSA-N	306.247	3.640	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1nccnc1C(C)C)C(C)C	772846862	FLYUUSMBDNGHRX-CQSZACIVSA-N	306.454	3.896	50	20	DHGD	
CC(C)[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	776612709	FCGWRVWEWZLFCN-GTVARFKMSA-N	320.392	3.813	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(Cl)c1)c1cccc(Cl)c1	776723758	KWBXXBSSWROJJA-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
Cn1c(/C(C#N)=C\c2ccc([N+](=O)[O-])cc2F)nc2ccccc21	777870755	WEOIQFGOKCEBBV-WQLSENKSSA-N	322.299	3.685	50	20	DHGD	
N#C/C(=C\c1cccc(C(=O)O)c1Cl)C(=O)C1CCCC1	787185212	YJDDAYNUPPXDEZ-XYOKQWHBSA-N	303.745	3.704	50	20	DHGD	
O=C(NCC1(C2CC2)CC1)NNc1cc(Cl)cc(Cl)c1	790434364	PACXKFVPLNRCKU-UHFFFAOYSA-N	314.216	3.810	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2cccc(C(F)F)c2)c1	790523006	UUSKJJKOJBQMNB-UHFFFAOYSA-N	304.340	3.927	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)n1	794564670	NFPKIDHWVMUHIQ-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
N#C/C(=C\c1ccc(-c2ccccc2)o1)C(=O)[C@@H]1CCCOC1	794877872	MZFAVSQPAJARCF-YLQKULKDSA-N	307.349	3.849	50	20	DHGD	
C=C(CBr)COC(=O)/C=C\SCc1ccco1	795550162	GAIHXARYJAZACL-XQRVVYSFSA-N	317.204	3.521	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1nc(-c2ccc(Cl)cc2)no1	796402548	STNDIVJLZHJMEI-SNVBAGLBSA-N	322.796	3.659	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)[C@@H]1CCC[C@@H]2CCCC[C@H]21	802822764	DIVDTKCMCLOIOK-APHBMKBZSA-N	317.389	3.644	50	20	DHGD	
CCc1ccccc1OCCC(=O)NNc1cc(C)ccc1C	802827262	SYFIJSGBJCXEBQ-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
O=C(NNc1ncccc1F)c1cccc(Oc2ccccc2)c1	804215692	BKLRNCYLVZHFBH-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CSSCCNC(=O)N1CCCCC[C@@H]1c1ccco1	807227838	HPUQRCVLIUGFQR-GFCCVEGCSA-N	314.476	3.918	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)C1(F)CCCCC1	811221314	HTHMOCKTUXZJRR-UHFFFAOYSA-N	320.286	3.701	50	20	DHGD	
CCc1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)ccc1O	813494415	LLBXETZZBRUXMX-UHFFFAOYSA-N	324.302	3.730	50	20	DHGD	
CC1CC(=NNC(=O)c2ccc(Br)cc2Cl)C1	814836985	COBBOBOCCFIFIV-UHFFFAOYSA-N	315.598	3.618	50	20	DHGD	
Cc1ccccc1[C@H](C)N(CC(C)C)S(=O)(=O)CCl	831425281	ASKVXTWWADPFCJ-ZDUSSCGKSA-N	303.855	3.540	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@@H]2CCCC[C@@H]2C)c(OC)c1	834954977	DXCYFUCYVCZMQC-SWLSCSKDSA-N	318.417	3.636	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H](C2CC2)C(F)(F)F)cc1	836618659	JJVPOZQUBDSDIG-CYBMUJFWSA-N	315.339	3.777	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc([C@@H](C)C(F)(F)F)cc1	836786840	WQPOBIKEBXRPQP-LLVKDONJSA-N	323.318	3.813	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2nc(C3CC3)no2)C1	852522777	PHZLHCISNJZULT-CYBMUJFWSA-N	323.513	3.543	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2cccc(Cl)c2)C[C@@H]1Br	856811234	LZMFGNCLITWFPF-JQWIXIFHSA-N	317.614	3.635	50	20	DHGD	
N#CC1(CC(=O)NNc2nccc3sccc23)CCCCC1	857126674	BRVTUVGDQPEUSQ-UHFFFAOYSA-N	314.414	3.604	50	20	DHGD	
CC(C(=O)NNC(=S)Nc1ccc(C)c(C)c1)=C1CCCC1	873763780	JMDSURZEGABRFK-UHFFFAOYSA-N	317.458	3.512	50	20	DHGD	
CN(CCC(N)=O)Cc1cccc(S(F)(F)(F)(F)F)c1	894431612	HSNNTNZEZUAZGO-UHFFFAOYSA-N	318.311	3.651	50	20	DHGD	
O=C(NN=Cc1ccncc1)c1cc2c(s1)CCCCCC2	916350401	IRTXEHATUSGEPN-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
O=C(NN=Cc1ccc(F)cc1)c1cc2c(s1)CCCCC2	916369737	KUAGEWBGSITSBT-UHFFFAOYSA-N	316.401	3.920	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)c2sccc2C(C)C)cc1	919680517	YDPNEFLQWNAIFP-UHFFFAOYSA-N	316.426	3.509	50	20	DHGD	
CN(N=Cc1ccc(C(F)(F)F)cc1)C(=O)OC(C)(C)C	920380722	FEFHUCLPZXNAQX-UHFFFAOYSA-N	302.296	3.906	50	20	DHGD	
CCc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1CC	1116484252	MUJQUPBJTJJKJF-UHFFFAOYSA-N	322.330	3.986	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(Cl)ccc1[N+](=O)[O-])C1CCCC1	1261271861	OWGYBKMOVWKIKZ-SECBINFHSA-N	311.769	3.518	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cnn(C2CCCC2)c1C	1328390397	CXIWFQBQYPSINS-UHFFFAOYSA-N	316.380	3.511	50	20	DHGD	
CC(C)c1oncc1C(=O)NNc1cccc(C(F)(F)F)c1	1346700065	IZVSPNRQKQJOPG-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(C)c(C(=O)O)c1)c1ccccc1C	1602954208	YZJIKVIQONZJTN-UVTDQMKNSA-N	324.380	3.548	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccc(F)cc1	38960254	GNEBQDVSUPESOY-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NNc3ccc(F)cc3F)cc2C1	66326102	LIVOATXCJOAFTA-VIFPVBQESA-N	322.380	3.908	50	20	DHGD	
C[C@@H](Cc1cccc(F)c1)C(=O)NNc1cccc(Cl)c1	68848991	WXESRERNJJJCCU-NSHDSACASA-N	306.768	3.801	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCCC[C@@H]2C)c1C	69047994	JAGVHZRPXMZNBM-HIXWQLQUSA-N	313.445	3.823	50	20	DHGD	
Cc1ccnc(NNC(=O)CCc2ccc3ccccc3c2)c1	88423297	POUSWLPACXLIMC-UHFFFAOYSA-N	305.381	3.619	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccccc2F)cc1F	92431373	IBLZWIQUATYXSQ-UHFFFAOYSA-N	307.300	3.512	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@@H](C)c1ccccc1	118995692	NOXIGRYYWLYWJN-AWEZNQCLSA-N	305.381	3.790	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1cccnc1Cl	128313657	DATJYCSTVGTTEP-LLVKDONJSA-N	321.833	3.500	50	20	DHGD	
N#Cc1cccc(NNC(=O)CCCC[C@H]2CCSS2)c1	152504705	BXVYUGDFYUDMPV-AWEZNQCLSA-N	321.471	3.715	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1CSc2ccccc21	158400309	ZXANYWNNHFWCLS-LLVKDONJSA-N	304.802	3.673	50	20	DHGD	
CCCn1c(C(=O)NNc2ccc(F)cc2)cc2ccccc21	189071179	ZAAQZVGCQHAWBM-UHFFFAOYSA-N	311.360	3.947	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OC/C=C\c2ccccc2)cc1	213358410	TVOXHFJHSYVLHI-YPLAYNDBSA-N	319.360	3.859	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@@H]1CCC[C@H](C(F)(F)F)C1	265417331	DRQFBWPOXGZITH-BDAKNGLRSA-N	322.277	3.777	50	20	DHGD	
Cc1cc(CN2CC=C(C#N)CC2)nc(-c2ccc(Cl)cc2)n1	272645997	MGJXNJKTDDOWKQ-UHFFFAOYSA-N	324.815	3.761	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(C)cc1O	727688589	AMWCYOHRPSEEJM-UHFFFAOYSA-N	310.397	3.564	50	20	DHGD	
C[C@H]1CCC[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	741670335	WGMQGXPOEZNUHT-UWVGGRQHSA-N	311.769	3.518	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCc2ccc(C#N)cc2)c(C)c1	743765688	YEVOUMGNWWZTTL-UHFFFAOYSA-N	307.397	3.559	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(-n3nccc3C)cc2)c1	747543859	XPPBZUNVRNKEBA-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
O=C(NN=C1CCc2cc(F)ccc21)c1cc2ccccc2o1	749822391	CBXSPTIHTZFJFV-UHFFFAOYSA-N	308.312	3.652	50	20	DHGD	
CC(F)(F)CC(=O)NNc1c(Cl)cc(F)cc1Cl	758010023	FYXUQZMLQXBFMD-UHFFFAOYSA-N	301.095	3.621	50	20	DHGD	
Cc1cc(Br)ccc1C=NNC(=O)OC(C)(C)C	759178716	DAWJHCNYNPJBIV-UHFFFAOYSA-N	313.195	3.616	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@@H]2CC[C@@H](C)C2)c(Cl)c1	759490567	RQYBMRVJYGNCSK-ZYHUDNBSSA-N	323.824	3.627	50	20	DHGD	
C=Cc1ccc(C(=O)NNC(=O)c2cccc3ccccc23)cc1	760369452	VUKZSBDGBLLEQO-UHFFFAOYSA-N	316.360	3.558	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CSCc1ccc(F)cc1	771707519	QGPVHFIMVVIFAO-UHFFFAOYSA-N	322.380	3.650	50	20	DHGD	
CSc1cc(/C(C#N)=C/C=C\c2ccccc2[N+](=O)[O-])ncn1	773173144	QCMYNGHJVIRRJJ-FMEHWCPISA-N	324.365	3.727	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])cc1F	777872406	SXACLLOBKKWPEC-WDZFZDKYSA-N	316.313	3.894	50	20	DHGD	
O=C(NN=Cc1cc(Cl)cs1)c1ccc2ccccc2n1	782096650	BMPAPLZWVKCVIG-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ncsc1-c1ccccc1	783679413	JFXDDXZVBNCIHH-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(/C#N)C(=O)C2CCCCC2)cn1	790100239	NSKLIGXDJLELJD-BOPFTXTBSA-N	311.429	3.983	50	20	DHGD	
Cc1cccnc1NC(=O)NNc1cc(Cl)cc(Cl)c1	790604179	NEPXSZHMOAJSBB-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(=NNC(=O)Cc1ccncc1)[C@H](C)c1ccc(Cl)cc1	794515464	ZMICWCCJUXPIJY-LBPRGKRZSA-N	315.804	3.573	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccnn1-c1ccc(F)cc1	794942915	SHAATZWFFVBZFR-UQRISPGASA-N	311.360	3.924	50	20	DHGD	
O=C(NNc1ncccc1F)Nc1ccc(Cl)cc1Cl	796587481	HYTGGWKLDZMOEQ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C3CCC34CCC4)cc2C1	799872581	USSHFZOYBGOBBF-LLVKDONJSA-N	302.443	3.923	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2nccc(C)c2c1	802828284	KDKVVMZPUKLXSO-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1nnc([C@@H](C)NCCO[Si](C)(C)C(C)(C)C)s1	808746458	QDXASDBGVZODHG-SNVBAGLBSA-N	301.532	3.519	50	20	DHGD	
CCC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1ccco1	814728416	WEPCPXWOORLOGM-UHFFFAOYSA-N	300.402	3.726	50	20	DHGD	
CCOc1ccc(NNC(=O)/C(C)=C\c2ccc(C)cc2)cc1	817908332	CQFUHUCNOPPFEA-SQFISAMPSA-N	310.397	3.940	50	20	DHGD	
CCC1(C(=O)NNc2cccc(Cl)c2Cl)CCOCC1	838347773	UMWXWYLUSAQSLT-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
C[C@@H]1C[C@@H](NC(=O)CCCC[C@H]2CCSS2)CS1	839825566	JXESARIAAVDZBJ-UTUOFQBUSA-N	305.534	3.711	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)c2nc(C3CC3)cs2)cn1	843264495	IZZMZVWMKQIDEI-ZSOIEALJSA-N	310.426	3.936	50	20	DHGD	
C#CCC(C)(C)C(=O)NNc1ccccc1Cc1ccccc1	846463865	IBWOYDUXVMJXPG-UHFFFAOYSA-N	306.409	3.770	50	20	DHGD	
C[C@]1(CNCc2cnc(C3CCC3)s2)C[C@H]1Br	856807465	OESVPLXGFXSOCF-DGCLKSJQSA-N	315.280	3.674	50	20	DHGD	
CC#CCCCC(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583629	YSGQPMCBESMULS-OAHLLOKOSA-N	309.526	3.803	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2[nH]c(-c3ccccc3)nc2C)c1	916978559	RIXHXQZPGAYVGD-UHFFFAOYSA-N	320.396	3.759	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1ccc(N)cc1	917532652	OFJCSJOUQWZIHS-UHFFFAOYSA-N	309.413	3.643	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H](C)c2ccncc2)ccc1Cl	928338145	BMQRFWGDEZDWPW-LLVKDONJSA-N	303.793	3.680	50	20	DHGD	
CCc1ccc(C(=O)NNc2ccnc(Cl)c2)cc1CC	1261773962	OWDPBINTDXMTQJ-UHFFFAOYSA-N	303.793	3.617	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1nccc(Cl)c1F	1322627365	ZUQVUNCXGLLKND-UHFFFAOYSA-N	307.756	3.502	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1ccc(C(=O)O)c(F)c1	1605262066	SSGFQHHHMPBWSB-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
Cc1c(NNC(=O)CC/C=C/c2ccccc2)cccc1C(=O)O	1607553396	RRYBKTVYPZIOFS-BJMVGYQFSA-N	324.380	3.630	50	20	DHGD	
C[C@@H](C=NNC(=O)Nc1ccc(C(=O)O)cc1)C1CCCCC1	1776045572	UPGJZPVRHPQMLI-LBPRGKRZSA-N	317.389	3.709	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	7144025	VKFPDINCISKKRE-SFQUDFHCSA-N	307.349	3.736	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cc(Cl)ccc1Cl	85682749	UQIIXDOJGJKGID-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N[C@@H](C)CCCC(C)C	114112639	VAJBAJFEFPNOCR-LBPRGKRZSA-N	313.873	3.683	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(F)cc1OC(F)F	120731692	WENBECDBIRIUHU-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2ccc(OC(F)F)cc2)C1	121688479	QYLSIDNCBAFZKM-NEPJUHHUSA-N	312.360	3.948	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2C[C@@H]2c2sccc2C)c1	127776311	JJPNVFDIUZNPOX-NWDGAFQWSA-N	304.390	3.751	50	20	DHGD	
CCc1ccccc1C(=O)NNc1ccc(OC(F)(F)F)cc1	130648701	IHJNSBCFGQWFRW-UHFFFAOYSA-N	324.302	3.905	50	20	DHGD	
C=CCN(Cc1cccc(C#N)c1)C[C@@H](C)CBr	133690767	RHMMRLFCYXZXJK-ZDUSSCGKSA-N	307.235	3.577	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)c(F)cc2F)ccc1Cl	150795669	YPDCLNGSYAKWLN-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc3c(c2)CCN3C)cc1	154306991	UPYPNVOLOSSWHK-PDGQHHTCSA-N	302.377	3.777	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccncc2Cl)cc1	154562570	UGYSRTLXIHVDPK-UHFFFAOYSA-N	319.792	3.671	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2c[nH]c3cc(C)ccc23)c1	158773144	DRBSWWDZUJSFGD-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
CC(=O)c1ccccc1C(=O)NNc1cccc2c1CCCC2	179020775	ONSGPDRXZWUPRW-UHFFFAOYSA-N	308.381	3.525	50	20	DHGD	
C=C(CBr)CN(CC)[C@H](C)c1ccc(C#N)cc1	279522302	SVMGEOHEGHKFRG-CYBMUJFWSA-N	307.235	3.892	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)Nc2nccs2)cc1Cl	491052719	WNZMWIAWLOUQFS-WDZFZDKYSA-N	303.774	3.651	50	20	DHGD	
CCC(=O)NN=C(C)c1ccc(OCc2ccccc2C)cc1	727777034	MILXRNYEBRLWNM-UHFFFAOYSA-N	310.397	3.824	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCc2ccccc2F)cc1	731141894	SQKVBYQCRXTLJE-SFQUDFHCSA-N	309.340	3.827	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)o1)c1nc2cc(F)ccc2s1	739062252	NUHZTYVGUDYXRY-VMPITWQZSA-N	314.297	3.791	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1ccc(C(F)(F)F)cc1	747600173	ROPFUCLEMKWINZ-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CCS[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(F)cc2)C1	748967958	LNOCYFFRSOUMMZ-ZIAGYGMSSA-N	311.426	3.516	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3ccc(Cl)cc3)[nH]c2c1	749273197	FLJJRNGEIKJBQI-UHFFFAOYSA-N	315.760	3.587	50	20	DHGD	
Cc1cccc(N2CCN(/C(=C/C#N)c3ccc(F)cc3)CC2)c1	750600428	XCCPBCPUNSRVFZ-AWQFTUOYSA-N	321.399	3.821	50	20	DHGD	
C=CCCC(CC)=NNC(=O)[C@H](C)Oc1cccc(C)c1C	750931953	WUNDLILCVBUUCY-HNNXBMFYSA-N	302.418	3.919	50	20	DHGD	
CCCCCc1ccc(NC(=O)NNC(=O)[C@@H](C)CC)cc1	755469503	WRQGIAZJBVMIGM-ZDUSSCGKSA-N	305.422	3.618	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNC(=S)Nc1ccc(C)c(C)c1	761365947	OXDXKHAAPCWMLL-CYBMUJFWSA-N	321.490	3.693	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2cccs2)[nH]n1)C1CCCCC1	764786162	CNYMGAOVLWHHHL-UHFFFAOYSA-N	316.430	3.824	50	20	DHGD	
CC#CCCOC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	765397199	XYOUSXVEEGCHEG-WOJGMQOQSA-N	312.413	3.625	50	20	DHGD	
CCCCOc1ccccc1C=NNC(=O)c1ccccc1C	767368799	VPDPGKHWPCRAQE-UHFFFAOYSA-N	310.397	3.938	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1cc(F)c(F)cc1F	767770535	CNZUNOMSLSGKQK-UHFFFAOYSA-N	307.275	3.568	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc(N)cc2)C[C@H]1c1ccccc1	768475744	BGIRCYNSJYXQSZ-INIZCTEOSA-N	307.397	3.568	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc(C#N)cc2)C[C@@H]1c1ccccc1	768483273	NWZPYILXFCBMGE-QGZVFWFLSA-N	317.392	3.858	50	20	DHGD	
CC(C)C[C@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768497199	WEQZULWWXWXWTM-HNNXBMFYSA-N	322.412	3.836	50	20	DHGD	
COc1cc(Cl)ccc1NC(=O)NNc1ccc(F)cc1	776079207	JZFXNGLGKLBKSO-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCC3(CC2)CC3)cc1OC	792627649	AYKMJVOAJRXCHB-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
CC(C)n1nccc1/C=C(/C#N)C(=O)c1ccc(Cl)s1	794874319	FXERJUGCKAQQDK-YFHOEESVSA-N	305.790	3.969	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)OC)ccc1Cl	794934378	JPLXYGLLVKZVQM-GARZTLJTSA-N	305.761	3.649	50	20	DHGD	
CCn1nc(C)c(C(=O)NNc2c(C)cccc2C(C)C)c1C	794952570	KFMKXQIDPOZPRP-UHFFFAOYSA-N	314.433	3.709	50	20	DHGD	
C=C(CBr)COC(=O)c1cc2ccc(C)cc2[nH]1	795306638	KRMAIXZCTFNEKZ-UHFFFAOYSA-N	308.175	3.584	50	20	DHGD	
C[C@@H]1CSC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	803530016	DSOKLUOACVHCOI-IJLUTSLNSA-N	305.534	3.568	50	20	DHGD	
O=C(COc1ccc(Cl)cc1Cl)NN=CCCC1CC1	807944370	XVWOOTOHMLOEPA-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	807975754	GCTUMLMPDRNJPZ-ZDUSSCGKSA-N	310.401	3.599	50	20	DHGD	
CO[C@@H]1C[C@@H](c2ccccc2)CCC1=NNC(=O)C1CCCC1	814801568	NHNUVIQHYXPRNQ-FUHWJXTLSA-N	314.429	3.632	50	20	DHGD	
O=C(CC1CC1)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	814989648	ORXZROVGVLTLDR-UHFFFAOYSA-N	304.699	3.609	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)c(F)cc2Cl)cc1	815851701	QKXIROWKPONLBN-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC(C)[C@H](SCc1ccccc1)C(=O)NCCCSC#N	816537988	ADUKDGJZFYSPSI-HNNXBMFYSA-N	322.499	3.665	50	20	DHGD	
CCC(C)(C)OCc1ccccc1NC(=O)NN(C)C1CC1	824284226	MTXMHPCQUSYOKZ-UHFFFAOYSA-N	305.422	3.523	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2c(C)cccc2Cl)CCO1	836933046	HPYVCOBFSTWPIV-OLZOCXBDSA-N	310.825	3.687	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC12CCCC2	837193240	ZVURWCWJJBJXJB-QMJOVRGKSA-N	324.424	3.726	50	20	DHGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2cccc(Cl)c2Cl)C1	838344369	FSBWASLBRSNGNL-VHSXEESVSA-N	317.216	3.642	50	20	DHGD	
Cn1cc(/C=C(/C#N)c2nc(C3CC3)cs2)c(C(F)F)n1	843265470	NQVSSUYKUHWSNS-WTKPLQERSA-N	306.341	3.756	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCCN1Cc1cnc[nH]1	844348627	BXMSLJCBENTXRS-HNNXBMFYSA-N	309.530	3.786	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H]1C[C@H]1c1ccccc1C	850045556	ZSXPVJDZUKZPLG-UONOGXRCSA-N	309.203	3.593	50	20	DHGD	
Cn1cc(C(=O)NN=C2[C@@H]3CCC[C@@H]3C2(C)C)c2ccccc21	853283045	AEAIEKZLZXDBAV-HIFRSBDPSA-N	309.413	3.720	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)c1cccc(C(=O)O)c1	853427004	GVRLYSQFSCLLAQ-UHFFFAOYSA-N	304.390	3.563	50	20	DHGD	
C[C@H](CCCC(F)(F)F)NC[C@]1(C)C[C@H]1Br	857064215	SKWDWMLSVRSHBT-BBBLOLIVSA-N	302.178	3.871	50	20	DHGD	
COc1ccc(CCC(C)=NNC(=O)c2ccccc2C)cc1	916360990	MVKUFDQUGBXFSI-UHFFFAOYSA-N	310.397	3.742	50	20	DHGD	
C#CCNC(=O)Nc1ccccc1S[C@H](Cl)C(F)(F)F	918189612	WPLCSCIGZOIJKD-JTQLQIEISA-N	322.739	3.661	50	20	DHGD	
CC1CCC(N(Cc2ccc3c(c2)OCO3)C(=O)CCl)CC1	1323268921	IJHUDHJHLXDYSU-UHFFFAOYSA-N	323.820	3.561	50	20	DHGD	
O=C(N[C@@H]1Cc2ccc(Cl)cc2C1)C1CCC(Cl)CC1	1348285014	VCEZAQLZJSGBKW-JHANDDDOSA-N	312.240	3.721	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNC(=O)CC1CCCCC1	27179773	PNUPIVZKVDDLGM-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
CCc1cccc2c(/C=C(/C#N)C(=O)Nc3nccs3)c[nH]c12	33472294	IIPJBKWVVMKNBA-WQLSENKSSA-N	322.393	3.732	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cnn(C(C)(C)C)c2)cc1	44022687	BEVSXWJNXPYPCB-MHWRWJLKSA-N	322.412	3.746	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(C(F)(F)F)nn1	123774727	KVGNPSSZTSEAPD-UHFFFAOYSA-N	318.343	3.545	50	20	DHGD	
CC/C=C(/C)C(=O)NNc1ccc(Br)cc1Cl	127300818	ZKUXFXKSOQRAAD-YWEYNIOJSA-N	317.614	3.902	50	20	DHGD	
CC(C)CCOC1CCN(C[C@H](C)CBr)CC1	133633977	HRBUCGWZYHLPCI-CYBMUJFWSA-N	306.288	3.545	50	20	DHGD	
CS[C@H](C(=O)NNc1cccc(Cl)c1)c1ccccc1	172504444	PHJBHHBWHLOFKQ-AWEZNQCLSA-N	306.818	3.887	50	20	DHGD	
O=C(CCC(=O)c1ccccc1)NNc1ccc(Cl)c(F)c1	175452613	QWTCCFCELODAPM-UHFFFAOYSA-N	320.751	3.585	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C\c1cccc(OC)c1)c1ccccc1	255075797	ORGMUFLEKYDTLY-LYPXWFNGSA-N	320.392	3.870	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@H]1c1ccccc1	491051649	TUDDCGYKAOFGFX-LYDJUCFBSA-N	318.376	3.663	50	20	DHGD	
N#C/C(=C/c1cnn(Cc2ccc(F)cc2)c1)c1ccccn1	588534480	DFXXRHUXPJWRMM-SXGWCWSVSA-N	304.328	3.530	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=Cc1coc2ccccc12	746556972	JQRNAAQITFTXML-UHFFFAOYSA-N	317.348	3.607	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(C(F)(F)F)cc1)C1CCCC1	747591630	ZNKRNXKITQGVRE-SNVBAGLBSA-N	300.324	3.975	50	20	DHGD	
C[C@H](C=NNC(=O)C(C)(C)C)c1cccc(Br)c1	747633640	VLFPPLPKNHOEQR-SNVBAGLBSA-N	311.223	3.701	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc(Cl)cc2F)cc1F	747643437	IEFXKBSFSAPIPP-UHFFFAOYSA-N	308.715	3.691	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1cc(Cl)ccc1OC(F)F	748074791	AYJLVXVQWAEYRP-UHFFFAOYSA-N	316.735	3.582	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1coc2cc(F)ccc12	748562508	PUKLBWZREZZZBS-UHFFFAOYSA-N	316.307	3.705	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1ccc(OC(C)C)c(OC)c1	750930614	JVCWGNWFNSBJFQ-UHFFFAOYSA-N	318.417	3.944	50	20	DHGD	
CC[C@@]1(C)CCCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752484203	FHOQNKZJOVEEDY-RXBGNRNISA-N	300.377	3.771	50	20	DHGD	
COc1ccccc1C(=O)NNc1cc(Cl)ccc1Cl	752813283	SBUNCWLRUYKFKZ-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@@H]2C[C@@H](C)c3c(C)cccc32)c1	754264826	ZYGOWAVCGXQRLP-CABCVRRESA-N	309.413	3.823	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OC[C@H]1CCCOC1	766298724	MVMWVZIFHOHGRG-QWHCGFSZSA-N	304.477	3.670	50	20	DHGD	
CC(C)n1nccc1C(=O)NNc1cc(Cl)ccc1Cl	768181981	PEOYOVQHGKVSRA-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1cnn(-c2ccccc2)c1	769583426	BVKRWMAZKLTPKE-LSDHHAIUSA-N	324.428	3.804	50	20	DHGD	
Cc1ccc2c(c1)CC[C@@H]2NC(=O)NNc1c(C)cccc1F	771305016	NZZMLGAWEPXKML-INIZCTEOSA-N	313.376	3.756	50	20	DHGD	
CC1(C(=O)NNc2ccc(Br)c(F)c2)CCCC1	771678389	CCFZOOKMEBPOBA-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1cscc1Cl	771886115	ZTGSJCMDCRAWPX-UHFFFAOYSA-N	313.209	3.748	50	20	DHGD	
Cc1ccc(C(C)C)c(OS(=O)(=O)CCCCCl)c1	776421977	BNGFZWXSPJCEEY-UHFFFAOYSA-N	304.839	3.846	50	20	DHGD	
COc1cc(NNC(=O)Nc2cccc(F)c2)ccc1Cl	788540890	QIMPPDGJEZIQJK-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CCc1ccsc1C(=O)NNc1ccc(Cl)c(OC)c1	790169827	BEKVKFMLVFVWIY-UHFFFAOYSA-N	310.806	3.729	50	20	DHGD	
CCc1nc2ccccc2c(C(=O)NCCSSC)c1C	791149876	CFYMWZXEJVNAPB-UHFFFAOYSA-N	320.483	3.847	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1cc2ccc(C)cc2o1	794568114	OMXRRCNTPQRFNN-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)ccc1C#N	799497725	ZVURNLGGRJTLCQ-VGOFMYFVSA-N	308.362	3.727	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	802020380	TUSHXFWORTZMKC-HAQNSBGRSA-N	323.824	3.709	50	20	DHGD	
Cc1ccnc2ccc(C(=O)NNc3c(F)cccc3F)cc12	802825778	UTTVRWDQAKFPGY-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)NNc1ncccc1F	804215716	CIOXRMIDHHJWOT-UHFFFAOYSA-N	321.783	3.586	50	20	DHGD	
Cc1oc(-c2ccccc2)c(C(=O)NCCCSC#N)c1C	808026309	WASPGKSICHZNGS-UHFFFAOYSA-N	314.410	3.898	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(C2CC2)ccn1	810324568	PFNHSXFYEFIIQA-UHFFFAOYSA-N	310.401	3.978	50	20	DHGD	
CCOc1cc(NC(=O)NNc2cccc(Cl)n2)ccc1C	814629595	CSWFYEJTSAIQNU-UHFFFAOYSA-N	320.780	3.591	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2ccc(COc3ccccc3)o2)C1	814762230	SNQZTECVMWFTPT-CYBMUJFWSA-N	312.369	3.764	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)c1ccc(O)c(Cl)c1	814849624	DKVBEPNCDHKXLI-UHFFFAOYSA-N	320.801	3.578	50	20	DHGD	
CC(C)[C@H]1CC(=NNC(=O)c2cc3ccccc3o2)CS1	814866941	KTKVPTXEKGPABL-OAHLLOKOSA-N	302.399	3.680	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cc(F)ccc1O	815004712	LOGLDQRRZQPIGP-UHFFFAOYSA-N	321.739	3.730	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cn(C)nc2C(C)(C)C)cc1	837052464	FRZSLVFUYPYEJP-UHFFFAOYSA-N	314.433	3.598	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@@H](O)C(C)C	839861850	LKNUKRBOGSKUJI-IPYPFGDCSA-N	319.536	3.612	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)c(OC)cc1F	844547660	HHBQQHZWPDWMCI-HKMIMPICSA-N	305.349	3.755	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)C1[C@@H]2CCC[C@@H]12	846463273	CRXKZXUPAXVARP-IAGOWNOFSA-N	306.409	3.767	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2ccc(O[C@H]3CCOC3)cc2)n1	849176313	LEQIWYWZIPCXEC-SBNBMVPLSA-N	312.394	3.683	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C(C)CC(C)(C)C#N)c1	853352243	NFHQRGGEZNKERF-UHFFFAOYSA-N	322.796	3.786	50	20	DHGD	
CC[C@H](Cc1cccs1)NC[C@]1(C)C[C@@H]1Br	857066134	XZMOVZVUQSDXLO-WXHSDQCUSA-N	302.281	3.832	50	20	DHGD	
CC(C)[C@@H](CC(F)(F)F)NC[C@H](CBr)C1CC1	859269635	FALGHGYHPUWKTI-WDEREUQCSA-N	316.205	3.974	50	20	DHGD	
C[C@@]1(C(=O)NNc2ncc(Cl)cc2Cl)C[C@H]2CC[C@H]1C2	860937827	FGCCVACNGVOOBY-UINNMSKDSA-N	314.216	3.658	50	20	DHGD	
Cc1ccccc1C(=O)NN=C1CCC(C)(N2CCCC2)CC1	884402790	IAJUQJXMKCSSRU-UHFFFAOYSA-N	313.445	3.509	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1cc(F)ccc1F	916278295	MTHBMCUFGPJPQG-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(F)c(-c2cccs2)c1	917560367	WWUHENOLNKLARF-UKTHLTGXSA-N	314.385	3.987	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1Cl)c1ccc(O)cc1	1084046320	RPXKPBIQKGVOEI-UHFFFAOYSA-N	302.761	3.590	50	20	DHGD	
O=C1CCCC[C@@H]1[C@@H]1CCCN1C(=O)c1cccc(CCl)c1	1120620647	CCSAQECHTKQPQL-CVEARBPZSA-N	319.832	3.789	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC(C)(c3ccccc3)C2)cc1	1318315312	JSEQYIGIPWDTKV-UHFFFAOYSA-N	308.381	3.533	50	20	DHGD	
Cc1ccc2c(c1)S[C@@H](C(=O)NNc1ccccc1Cl)C2	1319383603	UYHIKKKIUUMVBI-OAHLLOKOSA-N	318.829	3.809	50	20	DHGD	
COc1ccc([C@H]2CCN(C(=O)C3CCC(Cl)CC3)C2)cc1	1346386540	LGQLHWUNRPYUMF-PCKAHOCUSA-N	321.848	3.809	50	20	DHGD	
N#CCCN(C(=O)C1CCC(Cl)CC1)c1ccc(F)cc1	1519399010	ZEIQLAWHHWEPSU-UHFFFAOYSA-N	308.784	3.870	50	20	DHGD	
Cc1c(/C=C(/C#N)c2ccccn2)nc2ccccc2c1C(=O)O	1776131044	FNJVMIDRCAJYIG-RAXLEYEMSA-N	315.332	3.701	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C2=Cc3ccccc3OC2)c(C)c1	86333610	PSGRJVZZEZFJSD-UHFFFAOYSA-N	308.381	3.531	50	20	DHGD	
CC(C)Oc1cccc([C@@H](C)NC(=O)NNc2ccccc2)c1	114929146	YIXCQZMSRSVAOE-CQSZACIVSA-N	313.401	3.861	50	20	DHGD	
CCOc1cccc([C@@H](C)NC[C@H](C)CBr)c1	152781133	XOINYKMTPKSFIL-VXGBXAGGSA-N	300.240	3.767	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](c1ccc(CC)cc1)C(C)C	158747553	WMBJVBHHXWQRMO-WBILKINKSA-N	300.402	3.506	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Oc2cccnc2)c(C)c1	159163204	XRGKBQJTSOBSOG-OWBHPGMISA-N	323.352	3.565	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cc(Cl)ccn1)c1ccccc1	182993326	PHBUTWNCJQVJAW-HNNXBMFYSA-N	303.793	3.618	50	20	DHGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)OC(C)C	186857748	DZJHSVYTLQAOGW-GZTJUZNOSA-N	322.364	3.616	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)[C@@H]1CCCc2cccnc21	192814633	HFIIUFPCHGZJDF-QGZVFWFLSA-N	321.424	3.524	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(C)cs2)c2c(c1)C[C@@H](C)O2	193863530	NYUSDJDJIDLPMO-LHDJSAJTSA-N	312.394	3.848	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2cccc3c2CCCC3)ccc1C	194388992	FREOVLJRHYPSIE-UHFFFAOYSA-N	322.408	3.833	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/C=C1\N(C)c2ccccc2C1(C)C	211625583	CGHSEAPBFFDZMI-YGPCBGHTSA-N	323.440	3.664	50	20	DHGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)N1CC=C(C#N)CC1	273903998	SQRQFGGISVYRJG-UHFFFAOYSA-N	302.805	3.591	50	20	DHGD	
CSSCCNC(=O)c1cccc(C(F)(F)F)c1F	283831032	AQHKMERVWAGAGT-UHFFFAOYSA-N	313.341	3.586	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCC2(CCCC2)C1	368367600	SMRYABDXWAVVPG-NSHDSACASA-N	302.256	3.589	50	20	DHGD	
Cc1cc2n[nH]cc2cc1NC(=O)/C(C#N)=C\c1ccc(F)cc1	491163011	VAYSZINKKXPZLB-QPEQYQDCSA-N	320.327	3.556	50	20	DHGD	
C/C(=C/C(=O)NNc1ccccn1)c1cccc(C(F)(F)F)c1	588391660	FPBNCBVYIOOSLD-LUAWRHEFSA-N	321.302	3.647	50	20	DHGD	
N#C/C(=C\c1cnc2ccc(Cl)cn12)c1nc2ccccc2[nH]1	737444080	NOWQGSDXFWWUQY-YRNVUSSQSA-N	319.755	3.928	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1c(F)cccc1F	740085396	CSVHYKWODHHQKA-CQSZACIVSA-N	318.367	3.923	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1cc2c(cc1OC)C[C@H](C)O2	741470169	QPVAOGFEVWZNPH-FJPKCYBQSA-N	313.397	3.931	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2cc(C)ccc2C)c(C)c1	743761855	CYBQJCQLMKKQJA-UHFFFAOYSA-N	312.413	3.751	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(CC)CC2)c1C	752427507	ZIDMFUJQSVJHIE-GZTJUZNOSA-N	313.445	3.728	50	20	DHGD	
CC[C@H](C)C=NNC(=O)CSc1nc2ccccc2s1	755511803	WQNQGAUQQBYRDR-JTQLQIEISA-N	307.444	3.537	50	20	DHGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2ccccc2)on1	766010660	MDPQWELDQMZZCK-LBPRGKRZSA-N	311.385	3.884	50	20	DHGD	
CC[C@@]1(C)CCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768198744	JNNOIICWQUDIIL-FZMZJTMJSA-N	304.272	3.835	50	20	DHGD	
Cc1cc(NC(=O)[C@H](Br)C(C)(C)C)cc2n[nH]cc12	768369480	QTWLPERNRISKQX-LBPRGKRZSA-N	324.222	3.619	50	20	DHGD	
C[C@@H]1CCC[C@@H]1CC(=O)NNc1ccc(OC(F)(F)F)cc1	769605516	LBYXOOZZGCVYTF-GHMZBOCLSA-N	316.323	3.855	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)c1cc2ccccc2o1	775770633	DSCVUPVDLPQJFX-CYBMUJFWSA-N	316.401	3.800	50	20	DHGD	
C=CCCC[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(OCC)cc1	776015562	IZVPBFBMWBXZDD-WIZMWCRPSA-N	312.413	3.853	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)cs2)c1C	782199968	KCBUCKXPNBPFON-WUXMJOGZSA-N	311.362	3.853	50	20	DHGD	
Cc1ccccc1[C@@H](C)OC(=O)/C(C#N)=C/c1ccc(O)cc1	784019402	FZJAVQRDJSRBFO-DSQDWWTGSA-N	307.349	3.912	50	20	DHGD	
CC[C@](C)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	787337356	KCGXDTQKKXMRQU-YFIXDKARSA-N	320.392	3.741	50	20	DHGD	
CC(C)C1CCC(NC(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	787440140	GVMWXFQEUQEBTE-WJDWOHSUSA-N	312.413	3.630	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2cc[nH]c2n1	791729580	MGWLUDKDZSYMEC-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCCN(N=C(C)Cc1cccc(OC)n1)C(=O)OC(C)(C)C	794993235	URNOUXZXXAHZKR-UHFFFAOYSA-N	321.421	3.656	50	20	DHGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2ccc(O)cc2)C1	799104290	ONYLNYMYSNCDSN-OAHLLOKOSA-N	323.396	3.539	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccccc3)s2)cn1	800790392	KDQLCHQDAYFBFT-NTEUORMPSA-N	319.389	3.938	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)/C=C2\CC[C@H](C)C2)c(Cl)c1	802050898	NDFQFMKFCZTVOT-LZAIMSLLSA-N	321.808	3.548	50	20	DHGD	
CC(C)Cc1ccc([C@H](C)C(=O)NNc2cccc(F)n2)cc1	804768457	DDLRJRCMLZQVJF-ZDUSSCGKSA-N	315.392	3.666	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CCC[C@H]2CCCC[C@@H]21	807174007	TVLVKYBYXYPHBN-HZSPNIEDSA-N	312.417	3.613	50	20	DHGD	
N#C/C(=C/c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1	812245233	OITNFIKLKQKQMW-TWGQIWQCSA-N	303.680	3.846	50	20	DHGD	
CCCC[C@H]1CCCC1=NNC(=O)CSc1ccccc1O	814969334	MMHYXBPYPBWZHE-ZDUSSCGKSA-N	320.458	3.947	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1C=NNC(=O)CC1CC1	814989624	RCKFWLXMPUTTNU-UHFFFAOYSA-N	308.381	3.612	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1cc(Cl)nc(Cl)c1	819748214	YFJMEJZGGOHLEH-SDBXPKJASA-N	302.205	3.658	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)NCC(C)C)cc2ccccc12	834412394	CZUNNDVRGSAXDC-CXUHLZMHSA-N	308.381	3.528	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC1	843857780	AZIBWASTZOLFLG-NSHDSACASA-N	313.323	3.680	50	20	DHGD	
COc1ccc(CCC(=O)N(C)CC(Cl)Cl)cc1Cl	848080764	QKRXDXSKWDINGZ-UHFFFAOYSA-N	324.635	3.543	50	20	DHGD	
O=C(Cn1cnc2ccccc21)NN=C1CCC(=C2CCC2)CC1	853268538	HHXBGOKGUOOHPL-UHFFFAOYSA-N	322.412	3.563	50	20	DHGD	
CC(=NNC(=O)OCC(F)(F)F)C(C)(C)c1ccc(F)cc1	853430321	DMZXXWMALPDLGJ-UHFFFAOYSA-N	320.286	3.768	50	20	DHGD	
Cc1cccc(NC(=O)NC[C@@]2(C)C[C@@H]2Br)c1C	856812009	VWQVNJJMXQGQSC-GXTWGEPZSA-N	311.223	3.598	50	20	DHGD	
CC[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(C#N)cc1	857081554	GTSDDIAPJMNACA-ZNMIVQPWSA-N	307.235	3.772	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1cccc(F)c1[N+](=O)[O-])C(C)C	857197463	PKDRVXSOJUBVKY-LLVKDONJSA-N	311.357	3.639	50	20	DHGD	
CCC[C@H](C(=O)NNc1ncccc1F)c1cccc(Cl)c1	861662255	RBMXLCWOZXLVLC-ZDUSSCGKSA-N	321.783	3.901	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c(Cl)c1	861914283	AFFLMYJJTBWFHJ-IAOVAPTHSA-N	312.800	3.677	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)cc1	915922447	PRIDPOCGSGNMMZ-UHFFFAOYSA-N	317.392	3.870	50	20	DHGD	
C=C[C@H](CO)NCc1cccc(S(F)(F)(F)(F)F)c1	922264021	MTGCHIHOAZWSER-SNVBAGLBSA-N	303.296	3.981	50	20	DHGD	
CC(C)[S@](C)(=O)=NC(=O)CCCC[C@@H]1CCSS1	926069298	OJRYZAAFMKLXMM-ZMZPIMSZSA-N	309.522	3.733	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)c2ccccc2Cl)c1	1317894187	ROSSLNMAGHVYIA-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CC(C)(C)c1csc(CNC(=O)C2CCC(Cl)CC2)n1	1346448492	DMGFSNFBHCCFCS-UHFFFAOYSA-N	314.882	3.854	50	20	DHGD	
O=C(NCCc1cccc2[nH]ccc12)C1CCC(Cl)CC1	1346962468	RNTPTODHPLYNTL-UHFFFAOYSA-N	304.821	3.624	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C)cc1F	8198825	NVVSSDQRRSDOIA-NTEUORMPSA-N	310.328	3.688	50	20	DHGD	
N#C/C(=C\c1cccc(OCc2ccccc2Cl)c1)C(=O)O	11802597	PPBHZCTUTINROV-RIYZIHGNSA-N	313.740	3.911	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2c(F)cccc2F)c1	118516376	SZZHRAWOEHRDBL-UHFFFAOYSA-N	322.380	3.650	50	20	DHGD	
N#CC(C#N)=Cc1cc(Br)cc(C(F)(F)F)c1	133002272	YKSKAJDJHJVENN-UHFFFAOYSA-N	301.065	3.898	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2OC2CCC2)c1	150771610	SJFYHAXQOYIBBV-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
CC[C@@H](C)c1ccc(NC(=O)/C(C#N)=C/c2ccnn2CC)cc1	152153502	ZNSJDAZGPSQQKU-RGHBXIHOSA-N	322.412	3.962	50	20	DHGD	
O=C(Cc1ccccc1C(F)(F)F)NNc1cccc(F)c1	154471002	SUYBGVULDPZJNA-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
FC(F)(F)CO[C@H]1CCCCC[C@@H]1I	158360730	CJDMWKMZXSPCKN-YUMQZZPRSA-N	322.108	3.702	50	20	DHGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1ccncc1	160753719	XJMZLHNXZZVBER-WQLSENKSSA-N	317.270	3.646	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1CCC[C@@H](C(F)(F)F)C1	161063739	MGIPZKWAHBXYQA-WDEREUQCSA-N	318.314	3.946	50	20	DHGD	
CCc1c(C(=O)NNc2cccc(Cl)c2)cnn1CC(C)C	162439100	JICOSNWAGZLLJE-UHFFFAOYSA-N	320.824	3.512	50	20	DHGD	
CCC(=O)NNc1c(Cl)cc(Br)cc1Cl	172721546	YFRYAFZQWYWBSI-UHFFFAOYSA-N	311.994	3.609	50	20	DHGD	
CCCCCCCOc1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	193102073	AXAKMTBVBYYZGV-LGMDPLHJSA-N	321.442	3.945	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc([C@@H]3CCOC3)c2)c1	270941034	WMAZYEGGPXBBGV-QGZVFWFLSA-N	310.397	3.564	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1sccc1Br	296074429	YDMPAOOOKLCYJR-FNORWQNLSA-N	302.168	3.735	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1cnc(C(C)(C)C)s1	588588948	WLGCDQPZHNIADM-WQLSENKSSA-N	312.460	3.520	50	20	DHGD	
CCC(=NNC(=O)c1ccc[nH]1)c1ccc2cc(OC)ccc2c1	725854400	OGPSMJGHOSYABG-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)C1CCCCC1	728433442	IIKXXFRIXBDTAD-UHFFFAOYSA-N	310.344	3.974	50	20	DHGD	
CCCCC(C)=NNC(=O)c1cc(F)ccc1Br	728438459	XGDIQBIAMNUWKE-UHFFFAOYSA-N	315.186	3.884	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)CC1CCCC1	733929813	NDOGJMFYVYIZHU-NSHDSACASA-N	307.346	3.725	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc3ccccc3c2)C1(C)C	736430163	PNHLKTZEHCPRFY-QGZVFWFLSA-N	310.397	3.761	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(-n3ccnc3)cc2)c(C)c1	743763248	CROWVVLTVQCWAE-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)nc2)oc2c(F)cccc12	743818470	ZCUCMVCGLLGCNU-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1ccc(Cl)nc1	743818631	GOVTVIVTQVPGOZ-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
O=C(NN=Cc1nccc2ccccc12)c1cc2ccccc2o1	749817417	JCVCXTZYNIMIEM-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CC(C)(C)C=NNC(=O)c1ccc(COc2ccccc2)o1	755580901	IGCUUNILTQCMEB-UHFFFAOYSA-N	300.358	3.620	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2cc(Cl)nc(C)n2)cc1	755820012	KCOIAJPYTFAQBU-JTQLQIEISA-N	318.808	3.709	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1CC(=O)NNc1nc(C(F)(F)F)cs1	755859826	MITAETRAYRHUFX-RKDXNWHRSA-N	321.368	3.821	50	20	DHGD	
CCO[C@@H]1CCCC1=NNC(=O)c1c(Cl)cccc1Cl	766446114	DESMBCNYSDRCLW-GFCCVEGCSA-N	315.200	3.668	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)NC1CCCC1	767352265	QATISTLSMOTZAB-DTQAZKPQSA-N	312.413	3.831	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2cc(F)c(F)cc2F)ncn1	773175836	HYJLPVPSWLXQOW-MBXJOHMKSA-N	307.300	3.680	50	20	DHGD	
COC[C@@H](C)C(C)=NNC(=O)c1cc2c(s1)CCCCCC2	777878303	YZXRMMISJOCMEO-GFCCVEGCSA-N	322.474	3.795	50	20	DHGD	
Cc1ccc2cc(C=NNC(=O)c3ccccc3C)ccc2n1	783514032	JFRZJOWUVZTKIZ-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cn1	790099338	FKCISBVOHHPOIG-GDNBJRDFSA-N	317.396	3.787	50	20	DHGD	
Cc1cccnc1NNC(=O)N[C@H](C)c1oc2ccccc2c1C	791014959	ACRYEWDHNWDTBJ-CYBMUJFWSA-N	324.384	3.832	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cc(Cl)c1)C(=O)C1CCOCC1	794959023	RHPORDDLYPQPFJ-XGICHPGQSA-N	310.180	3.896	50	20	DHGD	
C=C(CBr)COC(=O)Cc1c(C)cc(C)cc1C	795577931	DXCAUYYYCHVFLQ-UHFFFAOYSA-N	311.219	3.649	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1ccc2c(c1)CCC=C2	805381330	DPKYTWWPKMSPFB-UHFFFAOYSA-N	323.352	3.620	50	20	DHGD	
Cc1nn(C)c(C)c1C(=O)NN(c1ccccc1)c1ccccc1	807239752	CFTCQIULECOABL-UHFFFAOYSA-N	320.396	3.520	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2cccc(F)c2)CCCC1	808246687	IITDTXFJVJEKAH-UHFFFAOYSA-N	318.219	3.900	50	20	DHGD	
CO[C@@H]1CCC[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)C1	816018338	AIEDHHHDOMLKBU-XJKSGUPXSA-N	304.434	3.632	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)c(Cl)c1	821777134	UXNBXJWFARTHFL-WFASDCNBSA-N	310.825	3.543	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2ccc(C)c(F)c2)cc1C	822383065	KOGXAVVIWXHINS-NSHDSACASA-N	319.384	3.759	50	20	DHGD	
Cc1sc(NC(=O)NNc2ccc(F)cc2)nc1C(C)C	824280930	SGDKXWFUCUPKBD-UHFFFAOYSA-N	308.382	3.863	50	20	DHGD	
CCC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C(C)(C)C	836819679	SBRJFDFNIFXTNQ-QBOMHBFWSA-N	300.402	3.630	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H]2CCCCCC(=O)C2)cc1	837053650	RBFIFWUSNKKNHW-HNNXBMFYSA-N	302.418	3.793	50	20	DHGD	
O=C(NC[C@H]1CCCC1(F)F)NNc1ccc(Cl)c(F)c1	838674465	UGNCDTNMBFOYCD-MRVPVSSYSA-N	321.730	3.541	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2cccc(C(F)(F)F)n2)CC1	839689294	YZPIHQLDGWPBNW-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
CCc1cc(O)nc(SCCO[Si](C)(C)C(C)(C)C)n1	840205958	HWTURAQVGGPTEA-UHFFFAOYSA-N	314.527	3.859	50	20	DHGD	
CCCCCSc1nc2ccc(NC(=O)NN)cc2s1	841125305	GYFXKAMEURAICN-UHFFFAOYSA-N	310.448	3.574	50	20	DHGD	
Cc1cccc2[nH]c(CNC[C@]3(C)C[C@H]3Br)cc12	856809831	QVFOLFYHEUTXCI-CABCVRRESA-N	307.235	3.739	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccccc2Cl)C[C@H]1Br	856810954	CLBKTVUVGUBFDL-ZYHUDNBSSA-N	317.614	3.635	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc([C@H]3CCCN(C)C3)c2)cc1	856850112	PUDLTSKAAHYFDB-SFHVURJKSA-N	323.440	3.561	50	20	DHGD	
Cc1cc(C)c(C(=O)NC[C@]2(C)C[C@H]2Br)c(C)c1	857689000	IQBHNKLLONZSGL-DOMZBBRYSA-N	310.235	3.515	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2cc(C)ccc2C)c1	857830431	DPHWZPKFGOASKY-UHFFFAOYSA-N	314.454	3.988	50	20	DHGD	
O=C(NCCc1ccc(Cl)cc1)NNc1ccccc1Cl	915885682	PDZDTFPBFFYFGO-UHFFFAOYSA-N	324.211	3.862	50	20	DHGD	
CC(CCc1cccc(F)c1)=NNC(=O)c1ccccc1F	920359859	IFLMSNJUFYSMFO-UHFFFAOYSA-N	302.324	3.703	50	20	DHGD	
C[C@@H]1[C@H](C(F)(F)F)CCCN1C(=O)C1CCC(Cl)CC1	1123693063	ZXMMBIFMZZLTPD-HBIQZDMRSA-N	311.775	3.973	50	20	DHGD	
CCn1ccnc1[C@@H](C#N)C(=O)CCCC[C@@H]1CCSS1	1263617061	SRCHTKQRBQJHFB-OLZOCXBDSA-N	323.487	3.793	50	20	DHGD	
N#CCCSc1ccc(C(F)(F)F)cc1NC(=O)CCl	1319797731	OOHBATMUBZMALP-UHFFFAOYSA-N	322.739	3.888	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)c1	1339575194	NBNTWBCQRSFISM-GZTJUZNOSA-N	318.376	3.730	50	20	DHGD	
O=C(Nc1ccc(-n2ccnc2)cc1)C1CCC(Cl)CC1	1346259385	IRXHYBGETYOKSF-UHFFFAOYSA-N	303.793	3.608	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1Cl)C1CCOCC1	1353089461	GQPSRYHNJCOUKK-CQSZACIVSA-N	320.820	3.506	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1609945754	AHOCZWPYFASMDJ-JQWIXIFHSA-N	324.808	3.698	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(C)c2)cc1OC	111682179	RFLLLYOEQGJALW-GDNBJRDFSA-N	322.364	3.558	50	20	DHGD	
CSc1ccsc1C(=O)NNc1ccc(F)cc1F	113429962	AQCYZPWHTIQOJN-UHFFFAOYSA-N	300.355	3.505	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1c(F)c(F)cc(F)c1F	158260610	WGOSARIKMOVHSY-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2cccc(C)c2C)cc1C#N	173018007	KLFGUDZDKCHSOI-LICLKQGHSA-N	316.360	3.974	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1cn(-c2ccccc2)nc1C(C)(C)C	176949655	APFCQPSIUADLPF-KAMYIIQDSA-N	323.396	3.640	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1c(O)cc(Cl)cc1Cl	178741558	SLPHOFDSNKHBMX-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)NNc1ccc2ccccc2n1	181078632	XONCMYATZZSPMO-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1ccc2ccccc2n1	181091295	LPCJFOAXIQNWNE-KGLIPLIRSA-N	323.421	3.852	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])s1)C(=O)c1cccc(F)c1	194532318	REHJXWSNRPAPFR-JXMROGBWSA-N	302.286	3.585	50	20	DHGD	
CN(NC(=O)C1CCC(C(F)(F)F)CC1)c1ccccc1	278702810	JRLRBQQGHHKGBN-UHFFFAOYSA-N	300.324	3.523	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1ccc2c(O)nccc2c1	287588321	DYWJJNFFFLHXMS-UHFFFAOYSA-N	315.417	3.990	50	20	DHGD	
Cc1cccc(/C=C(/C#N)C(=O)NCCc2ccccc2)c1C	303360814	HDVOWASHAQZRBD-UYRXBGFRSA-N	304.393	3.569	50	20	DHGD	
C[C@@H]1C[C@@H](N2CCCC2)CN1CCO[Si](C)(C)C(C)(C)C	367362382	WXARMJYPTQEZIC-HZPDHXFCSA-N	312.574	3.567	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1scnc1C1CC1	491105617	QKLPAAIKRSIBBT-JYRVWZFOSA-N	309.394	3.875	50	20	DHGD	
CN(N=Cc1ccc(OCC2CC2)cc1)C(=O)OC(C)(C)C	495948545	BDBQNFUBANQZAD-UHFFFAOYSA-N	304.390	3.676	50	20	DHGD	
CCS[C@H](C(=O)NNc1cccc(C(F)(F)F)c1)C(C)C	728716432	BXRJPESCJFOKRG-LBPRGKRZSA-N	320.380	3.926	50	20	DHGD	
N#C/C(=C/c1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1	730570228	JQFGZVXNENEPIA-ODLFYWEKSA-N	313.360	3.721	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1F	733361794	BKYBSBRBJFBMRT-CYBMUJFWSA-N	304.340	3.677	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCO2	741468590	FTZYWYZGUJPMPF-IUIMMGEKSA-N	305.761	3.981	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C/C=C/c1ccc(F)cc1	747742027	RDJZMSGJIHVXSJ-ZAMHGMFKSA-N	321.355	3.665	50	20	DHGD	
CC[C@H](CC(=O)NNc1cccc(Br)c1)C(C)C	748033252	OCLJKUOCKAPFPD-LLVKDONJSA-N	313.239	3.965	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccc(F)cc2C)cc1	748549535	ZZQIZWFRNIVCPI-CYBMUJFWSA-N	300.377	3.943	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cccc(OC3CCCC3)c2)o1	752175418	UHLOJMMEYQWZOE-UHFFFAOYSA-N	312.369	3.673	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1nn(CC)c2ccccc12	769730561	ZXWQLONRXARFOM-FYWRMAATSA-N	324.428	3.660	50	20	DHGD	
N#C/C(=C\c1nc2c(s1)CCCC2)C(=O)c1cccc(F)c1	773171514	MZUGCJTVJOEEOW-FMIVXFBMSA-N	312.369	3.951	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCc2c(Cl)cccc21	776232106	RSETYYVOPBPEEM-GFCCVEGCSA-N	322.195	3.562	50	20	DHGD	
Cc1cccc(CCCOC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	778128689	APRIOZRVRHTKRG-QGOAFFKASA-N	321.376	3.784	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ccccc1OC(F)(F)F	779209220	JORXAIRLSIWRMD-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
C[C@@H]1CC[C@@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	780782115	HOHXRDVTKVVXIH-NXEZZACHSA-N	301.312	3.520	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(C#N)cc1)c1c[nH]c2ccccc12	787455295	LZMUEFNMTOWDID-ZDUSSCGKSA-N	318.380	3.676	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ncsc2C(F)(F)F)c1	792259498	PQDZSDVQQGOMJE-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)C[C@H]1CCCC[C@@H]1O	794948027	GKBQHWUAQPPDMN-ZBFHGGJFSA-N	304.434	3.503	50	20	DHGD	
C=C(CBr)COC(=O)c1c[nH]c2ccc(C)cc12	795586577	GLURSHDOSNWDLD-UHFFFAOYSA-N	308.175	3.584	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)c(-c2cnn(C)c2)c1	801648302	XDINYLGEUMXBLU-OQLLNIDSSA-N	307.397	3.918	50	20	DHGD	
CC(C)c1ccc(SCC(=O)NNc2cccc(F)n2)cc1	804772379	FAZZCCFQGTVWFU-UHFFFAOYSA-N	319.405	3.580	50	20	DHGD	
CSSCCNC(=O)c1ccccc1NCc1ccco1	807513981	ZUIGCZPTUAQZPJ-UHFFFAOYSA-N	322.455	3.633	50	20	DHGD	
CCCc1ccccc1NC(=O)NNc1cccc(Cl)n1	814547208	UWXSDGGCXWFYPO-UHFFFAOYSA-N	304.781	3.836	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCc2cncs2)cc1	816018439	DMCOCOJMGDTTCM-UHFFFAOYSA-N	303.431	3.517	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CC(CC(F)F)C1	819726314	SYVIUUDQFFAIOK-LLVKDONJSA-N	309.447	3.814	50	20	DHGD	
CCC[C@@H]1CCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	825997707	MHRGSLGZHUSVKL-GHMZBOCLSA-N	315.339	3.760	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3c(s2)CCC3)c(Cl)c1	836938301	KOXUNFQBWHEENT-UHFFFAOYSA-N	306.818	3.956	50	20	DHGD	
C[C@H]1CC[C@@](C)(C(=O)NNc2cc(C#N)cc(Cl)n2)C1(C)C	837508931	XCZPNNPIOXGFTK-QFYYESIMSA-N	320.824	3.512	50	20	DHGD	
CCOc1ccc(C[C@H](C)C(=O)NNc2ccccc2F)cc1	839710455	RWSWLBHWCGLXIN-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
C[C@@H]1C[C@H](CNCc2ccc(OCCCCl)cc2)[C@@H](C)O1	840964612	SPLBVRAIVORFRA-IIAWOOMASA-N	311.853	3.597	50	20	DHGD	
CC[C@@H](C(=O)NNc1nccnc1C(C)C)C1CCC(C)CC1	857496497	QDSLZAYKFLZBDF-YMAMQOFZSA-N	318.465	3.896	50	20	DHGD	
BrC[C@H](CN1CCC(c2ccncc2)CC1)C1CC1	859278876	VYYCRQGKKLZRMW-MRXNPFEDSA-N	323.278	3.682	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1cccc(F)c1Cl	862508587	WEJUFTWPUOUYCK-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CCCn1cc(/C=C(\C#N)c2ncc(C(C)(C)C)s2)nn1	865224304	PXLCSCHTLYRAEO-YRNVUSSQSA-N	301.419	3.506	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C[C@@H](C)c2ccccc2)c1	916295756	CIVCDNNSPUHDMY-MRXNPFEDSA-N	310.397	3.588	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)OC/C=C\c2ccccc2)c1	916601767	RIYBLMQYDSNPOR-MXMWUFDHSA-N	319.360	3.859	50	20	DHGD	
CCN(C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C)C(C)C	917825973	KMCQWGVHHQAGDA-VCHYOVAHSA-N	315.461	3.925	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CC12CCSCC2	928337954	YTXQDWWDAVPLQE-GFCCVEGCSA-N	310.850	3.625	50	20	DHGD	
Cc1nc2c(s1)C(=NNC(=O)c1ccccc1Cl)CCC2	1116009392	AGXOLCUYKZMOAD-UHFFFAOYSA-N	319.817	3.575	50	20	DHGD	
CC(C)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCCCC1	1321079496	JCYCLAFJNWHWKX-NTCAYCPXSA-N	312.413	3.774	50	20	DHGD	
Cc1ccccc1[C@H](CO)N(C)C(=O)c1cccc(CCl)c1	1337409920	OKWNUGPIOSYXSQ-KRWDZBQOSA-N	317.816	3.539	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2ccc(C)c(Cl)c2)cs1	1344054181	CVPVDYVAKTVHRS-UHFFFAOYSA-N	308.790	3.669	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccc(C(=O)O)c(O)c2)n1	1776381063	ACSMLWDUMQMUSB-VZUCSPMQSA-N	314.366	3.734	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2C(=O)O)c(C)c1	13345083	HEAMDXLZDNEYCG-XNTDXEJSSA-N	320.348	3.547	50	20	DHGD	
O=C(/C=C/c1cnn(CCCl)c1)c1cc2ccccc2o1	57737509	XHVHVFMJYZMCIJ-AATRIKPKSA-N	300.745	3.764	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(-c2ccccc2)nn1)C1CCCC1	125872963	VBBMOOQSRUJPJF-UHFFFAOYSA-N	324.428	3.803	50	20	DHGD	
O=C(/C=C/c1cccs1)NNc1ccccc1Br	153647866	VIJUEWAPCLONBR-BQYQJAHWSA-N	323.215	3.667	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2c[nH]c3cccc(C)c23)c1	158791989	IBQDXEWRZOTFRW-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(\C#N)C(=O)CC(C)C	171019633	REYDMESZYKSFOC-MDWZMJQESA-N	302.330	3.516	50	20	DHGD	
CCOc1ccccc1/C=C(\C#N)C(=O)N(C)C1CCCCC1	171982372	BBJLTQYLXZALQW-DTQAZKPQSA-N	312.413	3.783	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NNc1ccc(Cl)c(F)c1	175406019	FXDYVKWFZRPGSY-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(C)ccn1)c1ccccc1Cl	176733992	IUVBWQIUISUMIJ-ZRDIBKRKSA-N	301.777	3.590	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)c1ccc(F)c(Cl)c1	179605485	PRKRUFTZLDLIRF-KPKJPENVSA-N	301.704	3.975	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])s2)cc1	180697067	GQKUKMDQTNKVQZ-DHZHZOJOSA-N	313.338	3.510	50	20	DHGD	
O=C(/C=C/c1cccc(F)c1)NNc1ccc2ccccc2n1	181124969	MRARFBWBNRTMSB-DHZHZOJOSA-N	307.328	3.530	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)c2ccc(Cl)cc2)cc1	254378945	ONMXFIJUMLPEHN-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
N#CC1=CCN(C(=O)[C@H]2C[C@@H]2c2ccc(Cl)cc2Cl)CC1	271104105	KXCPXWCGHZAFBI-KGLIPLIRSA-N	321.207	3.779	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@@H](C(F)(F)F)C1	272463081	LCQPUNRBWSIRSU-RKDXNWHRSA-N	321.730	3.547	50	20	DHGD	
Cc1cc(NC(=O)NNC(=O)C2CCC2)ccc1-c1ccccc1	274048597	PCFMQEBKMFMEKQ-UHFFFAOYSA-N	323.396	3.615	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	280944521	JCWSOROSVINHDP-WLSWZUKCSA-N	313.397	3.768	50	20	DHGD	
CC1(C)CN(C(=O)CCCC[C@H]2CCSS2)CCCO1	377711003	YZJRRTVDUAXSJA-ZDUSSCGKSA-N	317.520	3.728	50	20	DHGD	
CCC(=NNC(=O)c1ccc(N)cc1)c1ccc(Cl)s1	733200498	FEECWVDTQNMVOF-UHFFFAOYSA-N	307.806	3.528	50	20	DHGD	
Cc1n[nH]cc1C=NNC(=O)Nc1ccc(-c2ccccc2)cc1	741766571	WXDKPUVTTKNIIL-UHFFFAOYSA-N	319.368	3.541	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)c1ccc(CC)cc1	742477810	UMSMOQNTRUDLRF-CQSZACIVSA-N	304.434	3.617	50	20	DHGD	
Cc1ncsc1C=NNC(=O)c1ccc(Cl)cc1Cl	743430161	FBXDEKOBDHZRIS-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
O=C(NCCCC1CCCCC1)NNc1ccc(Cl)nc1	745522806	XHRMFLNNFLQFDC-UHFFFAOYSA-N	310.829	3.722	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccc(C(F)(F)F)cc2)C1	747606923	XCRVICFJPDWRTQ-GHMZBOCLSA-N	300.324	3.975	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C/C=C\c1ccc(F)cc1	747742024	RDJZMSGJIHVXSJ-HJCOUEOTSA-N	321.355	3.665	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCSc2ccc(F)cc2)c1	748786126	YOPIBPQLNXCQII-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
C[C@@H](CCC(=O)NN=c1cc[nH]c2ccccc12)c1ccccc1	750537588	QTFICHWXCPIBQF-HNNXBMFYSA-N	319.408	3.684	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)ccc2Cl)on1	752810575	BZWUINDSWSVVQO-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
COc1ccc2oc(C=NNC(=O)CCc3ccccc3)cc2c1	763362357	IDEFDNYRGQSUNC-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
C/C=C(/C=C\C(=O)NNC(=O)c1cccc2ccccc12)CC	765644399	VEWCLEWWWLJCJW-HNJLNFFXSA-N	308.381	3.513	50	20	DHGD	
N#CC1=CCN(C(=O)c2[nH]c3ccc(Cl)cc3c2Cl)CC1	767178792	XEYQNXKHEPJECS-UHFFFAOYSA-N	320.179	3.771	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1C[C@H]1Cc1ccccc1	768178584	DPPJDQQWSLTYHP-MGPQQGTHSA-N	324.262	3.543	50	20	DHGD	
Cc1nc(-c2cccs2)sc1C(=O)NCCCSC#N	773585297	HHERUBVECQJSMW-UHFFFAOYSA-N	323.468	3.514	50	20	DHGD	
CC[C@@H](CC1CCCC1)C(=O)NNc1cnc2ccccc2n1	774776089	QAXIJSPZGMYFEQ-AWEZNQCLSA-N	312.417	3.679	50	20	DHGD	
CCCCOc1ccc(C(C)=NNC(=O)CC(F)(F)F)cc1	788993581	ATNNNIVVWWTYAF-UHFFFAOYSA-N	316.323	3.658	50	20	DHGD	
CCCCNC(=O)NN=C[C@H](C)c1ccc(C(F)(F)F)cc1	789000467	MMZCFPDNKQNXLP-NSHDSACASA-N	315.339	3.894	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCC[C@H]1c1ccccn1	794894069	CLSRTUOTSKYQDS-AWEZNQCLSA-N	308.385	3.835	50	20	DHGD	
Cc1cc(Cl)cc(C)c1/C=C(\C#N)C(=O)C1CCOCC1	794957573	FUZNUIAPMGBWJA-NTEUORMPSA-N	303.789	3.860	50	20	DHGD	
C=C(CBr)COC(=O)CCc1ccc(Cl)cc1	795404924	FHLJNBODTAAAIN-UHFFFAOYSA-N	317.610	3.767	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(C)=O)s1	799758487	NNHQPSYDTDUKBQ-UHFFFAOYSA-N	302.399	3.578	50	20	DHGD	
N#Cc1cccc(NNC(=O)CCCc2ccccc2Cl)c1	810678749	CBZMWTZGISEHPM-UHFFFAOYSA-N	313.788	3.678	50	20	DHGD	
C=CCC(C)(C)CNC(=O)/C(C#N)=C\c1ccc(OCC)cc1	817457869	ZJYMXHOTEDLXMS-VBKFSLOCSA-N	312.413	3.711	50	20	DHGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1cc(Cl)nc(Cl)c1	819747858	XZTOGGFCWAMFBZ-RNCFNFMXSA-N	302.205	3.514	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2CC[C@@H]3C[C@H]23)ccc1Br	825855312	ULBHASFALVVFPO-MDZLAQPJSA-N	323.234	3.637	50	20	DHGD	
Cc1cc(OC(=O)CCCC(=O)C(C)(C)C)ccc1[N+](=O)[O-]	835070098	KUJVPRBLQKEKGS-UHFFFAOYSA-N	307.346	3.594	50	20	DHGD	
Cc1ccc(CCNC(=O)CCCC[C@@H]2CCSS2)nc1	837227149	IAXQOSMIFFKRQC-OAHLLOKOSA-N	324.515	3.763	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@H]1CCC[C@H]1C	840547007	HNPKYCRZFIVUOL-GHMZBOCLSA-N	310.829	3.523	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1)c1ccccc1F	853261796	VAZOPSKXRZKRDL-MNOVXSKESA-N	316.298	3.910	50	20	DHGD	
C[C@]1(CNCc2cccc(OC(F)F)c2)C[C@@H]1Br	856806955	JJTUDIFUVRCUBK-WCQYABFASA-N	320.177	3.551	50	20	DHGD	
C[C@]1(CNC(=O)C2CCCCCCC2)C[C@H]1Br	857399535	WZZCAMVEWYKEOT-TZMCWYRMSA-N	302.256	3.637	50	20	DHGD	
C[C@@]1(CNC(=O)c2cccc(C(F)F)c2)C[C@@H]1Br	857400155	HDHXVULDIAAFTP-GWCFXTLKSA-N	318.161	3.528	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)c2Cl)ccn1C(C)C	862507331	AAWZRPIUDVLYPV-UHFFFAOYSA-N	309.772	3.927	50	20	DHGD	
Cc1occc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912585539	XTRPDHPAVBWRKL-ZDUSSCGKSA-N	309.482	3.824	50	20	DHGD	
O=C(NN=C[C@H]1CC=CCC1)c1ccc(COc2ccccc2)o1	916359886	GERDVXPIPRTNFF-HNNXBMFYSA-N	324.380	3.931	50	20	DHGD	
O=C(O)[C@@H](F)CNCc1cccc(S(F)(F)(F)(F)F)c1	1334091232	YVHACZDBVSMVTA-VIFPVBQESA-N	323.258	3.856	50	20	DHGD	
CC(C)(CNC(=O)c1cccc(CCl)c1)c1ccncc1	1337213298	LFQBFLRETAIDHU-UHFFFAOYSA-N	302.805	3.528	50	20	DHGD	
CC(C)Nc1cccc(CNC(=O)C2CCC(Cl)CC2)c1	1548666455	WRSFHJSVRGWHOG-UHFFFAOYSA-N	308.853	3.921	50	20	DHGD	
O=C(O)CCc1ccc(NC(=O)c2cccc(CCl)c2)cc1	1608738510	QRGPTPJKSYPGGG-UHFFFAOYSA-N	317.772	3.695	50	20	DHGD	
CCN(N=Cc1cc(C(=O)O)c(C)cc1C)C(=O)OC(C)(C)C	1776110096	NKLRCKQELBAWTF-UHFFFAOYSA-N	320.389	3.593	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc1OC	1083829	GWPYOHSIRPTCFP-XNTDXEJSSA-N	322.364	3.558	50	20	DHGD	
CNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)s1	78399146	XQDMNNCFWIMULR-CSKARUKUSA-N	302.786	3.721	50	20	DHGD	
Cc1[nH]c2ccccc2c1CC(=O)NNc1ccc(Cl)cc1	120120535	ZHRVSSFVZYWUHX-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)C1(c2ccccc2F)CC1	120262791	OPUDOVCLAGOFSY-UHFFFAOYSA-N	304.752	3.654	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c(C)nc2sc(C)cn12	125518957	VYCCGKUQCXBIEY-BNDQCTAISA-N	301.415	3.925	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCn2ccc3ccccc32)c1	127149374	DPDKCVNILYZZOR-UHFFFAOYSA-N	307.397	3.792	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2c(F)cccc2Cl)c1	150773463	RBJPKJJASGFFFD-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
C[C@H](CC(=O)NNc1ccncc1Cl)c1cccc(F)c1	154487203	OWZWNOUGTSCOSN-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccncc1Cl	154606155	XZDQUGHCTRJGKL-AWEZNQCLSA-N	317.820	3.693	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1	171114061	YFCBKTDKWUDQHM-LERPTODRSA-N	314.348	3.918	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccsc2)cc1	171540829	JRLBVZPXGGGDBZ-AAWHYMEISA-N	308.362	3.829	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc([N+](=O)[O-])c1)c1ccccc1	178862036	QAHHJDZYEFXHTF-MRXNPFEDSA-N	313.357	3.622	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCC(C)(C)CC1	194738704	RBWDTWOXMGZTFI-QINSGFPZSA-N	312.413	3.726	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cc(O)ccc1Br	269283458	GUGRYKPZYDCHCG-VKRGWIQLSA-N	308.175	3.677	50	20	DHGD	
CC(=O)CC(C)(C)CC(=O)NNc1cc(Cl)ccc1Cl	276428406	FIVPHHMSUWIMJV-UHFFFAOYSA-N	317.216	3.832	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)NC1CCCCC1	490701236	WPNNSKBDHCKIIF-GXDHUFHOSA-N	304.340	3.980	50	20	DHGD	
Cc1cc(O)c2nc(/C=C\c3cnn(CCCl)c3)ccc2c1	588578720	MHDUXJRKMFWOPF-RQOWECAXSA-N	313.788	3.855	50	20	DHGD	
CC(C)Oc1cccc(C=NNC(=O)CCCc2ccccc2)c1	727684987	UMILGZHXRSXAOJ-UHFFFAOYSA-N	324.424	3.947	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2F)cc(OC)c1	732577192	ODINKTXIKPWGIQ-QPEQYQDCSA-N	311.312	3.633	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cnn(-c2ccccc2)c1	733077202	LVWZOVOIAIMMDT-AWEZNQCLSA-N	312.417	3.804	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)cc1)c1cccc2cccnc12	747362168	QFXKPXHRQIAFEF-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2cccc3cnccc23)cc1	748769573	MEAIIKVBWWDFMO-UHFFFAOYSA-N	321.380	3.779	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)c1nnc(-c2ccccc2)o1	749157965	MLSUJKKYPPEHKL-UHFFFAOYSA-N	312.373	3.589	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)/C(C#N)=C\c1ccc(F)cc1)CC2	752064156	CTSRIBZIYSYMMT-JVCXIRSZSA-N	320.367	3.845	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(C#N)c(Cl)c2)cc1C	753299667	NFUGBFPYIOEZFS-UHFFFAOYSA-N	313.788	3.514	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1CCC(C(F)(F)F)CC1	768093395	LHZIOTAHEUEJQM-UHFFFAOYSA-N	304.287	3.638	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1ccc(O)c(Cl)c1	768773131	LYJWQRSPCILUKB-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cccc(F)c1Cl	770393800	YTDDZMGIISLLOB-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2ccc(OCC(F)(F)F)cc2)C1	776487720	LIZZLEVGDIDYID-GHMZBOCLSA-N	316.323	3.507	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1CC[C@@H](C)C1	776489416	ZERXZSGFDBDKSY-MWLCHTKSSA-N	311.223	3.637	50	20	DHGD	
N#C/C(=C/c1cc(F)cc(Cl)c1)C(=O)NC1CCCCC1	776722611	UXJJZKKUMMILRZ-SDQBBNPISA-N	306.768	3.835	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cc(Cl)cs2)c1	780375812	ZVNRCIZTBMUKFM-MLPAPPSSSA-N	316.813	3.933	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C\c1ccccc1)c1ccccc1[N+](=O)[O-]	785350403	HSDUVAXXXPUTEJ-LKKYZFDUSA-N	322.320	3.806	50	20	DHGD	
CSSCCNC(=O)c1csc(-c2ccccc2C)n1	791098015	SQRKGVWGLDFWAY-UHFFFAOYSA-N	324.496	3.860	50	20	DHGD	
C[C@]1(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)CCCS1	792904107	CMSYMOZSKFMEKY-QUZGTJOHSA-N	306.475	3.591	50	20	DHGD	
CC(=NNC(=O)c1ccccc1)c1ccccc1C(F)(F)F	793053129	CJHNASQSWMKGFY-UHFFFAOYSA-N	306.287	3.859	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCC[C@@H]1CC)c1ccccc1	793483270	QBBHAKHSJCDASZ-XIRDDKMYSA-N	316.445	3.544	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1cncc(F)c1	799011761	ATFKSFHLBNZSCO-GFCCVEGCSA-N	300.424	3.873	50	20	DHGD	
CO[C@@H](COC(=O)/C(C#N)=C\c1ccc(C)cc1)c1ccccc1	801812347	FDZICVKQDPHKMO-OVCORXIESA-N	321.376	3.833	50	20	DHGD	
CSSCCNC(=O)NC1(c2ccc(Cl)cc2)CC1	806793542	SRHPQEXXPSSFQG-UHFFFAOYSA-N	316.879	3.640	50	20	DHGD	
N#C/C(=C\c1cnn2ccccc12)c1cc(C(F)(F)F)ccn1	812248273	IMNFUCIRKJMRED-YRNVUSSQSA-N	314.270	3.812	50	20	DHGD	
CNc1ccc(C(=O)NNc2cccc3c2CCCC3)cc1F	821158791	REFJXSYLNSGWMN-UHFFFAOYSA-N	313.376	3.503	50	20	DHGD	
CSc1cc(C(=O)NNc2ccc(C(C)C)cc2)ccn1	837057295	WJFZGEZLOHVGOF-UHFFFAOYSA-N	301.415	3.684	50	20	DHGD	
CS[C@@H]1CC[C@H](NC(=O)NNc2ccc(C)cc2Cl)C1	838492522	BHZUZRPGYJFMBH-WDEREUQCSA-N	313.854	3.559	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccccc1COC(C)(C)C	848082822	YXPHETHKVFKMOK-UHFFFAOYSA-N	318.244	3.877	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ncc(Cl)cn2)C1	853897289	CEZKPOITGGPDFH-LBPRGKRZSA-N	313.905	3.731	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1ccnc(Cl)c1	855465142	IGFWJBKKRPTHSK-ZDUSSCGKSA-N	317.820	3.837	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1CCCF)c1nc2ccccc2s1	872438128	WPZQMMOERABFSQ-LLVKDONJSA-N	319.405	3.932	50	20	DHGD	
Cc1cnc(Cl)c(C(=O)NNc2ccc(C(C)C)cc2)c1	880231215	VLKBWLQLOVLTPQ-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=Cc1ccc(F)c(F)c1	915976576	MYVYHGDFAUYVLY-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)c1ccc(Br)s1	916354019	BGUSCLVLBZXLDJ-SSDOTTSWSA-N	303.225	3.662	50	20	DHGD	
CCCOc1ccc(C=NNC(=O)CCc2ccccc2)cc1	916659903	DKMSMFFSQPBMJR-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C[C@H]2CCCC[C@@H]2C)c1	920431293	WLONMHSTKKREPC-UONOGXRCSA-N	319.474	3.529	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2ccccc2Cl)s1	1326226927	GVVCZYRYNHXWIK-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
Cc1noc(C)c1[C@H](C)CNC(=O)c1cccc(CCl)c1	1336415451	BPELSZSPUDAWLG-SNVBAGLBSA-N	306.793	3.564	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC[C@H](c2ccc(F)cc2)C1	1548666335	KFIXXBPVLSYAAT-SLTAFYQDSA-N	309.812	3.939	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1CC[C@@H]1C1CCCCC1	1551772316	YWUQUYLPYBCRCS-OAHLLOKOSA-N	323.868	3.534	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ncc(Cl)cc2Cl)c1	16500515	YNOLFRDDCPVRRI-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cn1cccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(Cl)ccc12	55040378	YYGXZYPFQRVZNA-YRNVUSSQSA-N	309.756	3.950	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(N2CCCCC2)o1	78353384	YFMPBOURCGYTIU-OWBHPGMISA-N	302.374	3.520	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cn(C)nc1-c1cccs1	93872912	VERIAXOFBIBLKL-XYOKQWHBSA-N	323.377	3.840	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@@H]1c1ccc(F)cc1	124441659	YDLBJQGVRJKTJV-HUUCEWRRSA-N	304.752	3.726	50	20	DHGD	
O=C(CCc1cccs1)NNc1ncc(Cl)cc1Cl	132705992	KZUQCWZHMOSQOZ-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1ccc([C@H](C)NC[C@H](C)CBr)cc1[N+](=O)[O-]	152800771	HIGBNXVFQFOAPL-KOLCDFICSA-N	315.211	3.585	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(C#N)cc1)c1ccccc1Cl	155146506	LRUHAIREWWIRMF-BENRWUELSA-N	311.772	3.758	50	20	DHGD	
Cc1cncc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c1	155283289	ONKORPMRPUGDAW-UHFFFAOYSA-N	308.293	3.671	50	20	DHGD	
COc1ccc(Oc2ccc(CCNC=C(C#N)C#N)cc2)cc1	162362513	VUFJVSHVKFREAP-UHFFFAOYSA-N	319.364	3.551	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(-c2ccccc2F)s1	192972758	QUOILXMRXAVNLG-YRNVUSSQSA-N	320.352	3.721	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N(C)Cc2ccccc2)cc1	206266345	HYUQOUXJEBXUHZ-AQTBWJFISA-N	320.392	3.651	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2coc3ccccc23)cc1	255447997	CBAGMXCDRQNALD-RAXLEYEMSA-N	318.332	3.987	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2ccc(C(F)(F)F)cc2)on1	269650968	VDHLYLINEIKUEW-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCC(=O)c2ccccc21	286056189	UJUKRKAZIAIPNL-KRWDZBQOSA-N	322.408	3.761	50	20	DHGD	
C[C@@H](CBr)CNC1(c2cccc(Cl)c2)CC1	381344049	YIQAYEMRYRXCOI-JTQLQIEISA-N	302.643	3.950	50	20	DHGD	
CCCN(N=C(CC)c1ccc(F)cn1)C(=O)OC(C)(C)C	495792508	FXSFEXBIRFOBHJ-UHFFFAOYSA-N	309.385	3.982	50	20	DHGD	
C[C@H](CBr)CN(C)Cc1ccc(F)c(Cl)c1	708322003	UMIOBLUBWWWKAF-SECBINFHSA-N	308.622	3.942	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cnc(-c2ccccc2)s1	728430036	XIYFWBSWRMKFAY-UHFFFAOYSA-N	301.415	3.696	50	20	DHGD	
O=C(NN=C/C=C/c1ccccc1)c1cccc(OC(F)F)c1	728434098	RYTNOALVUWBSSG-VAAIBFCQSA-N	316.307	3.717	50	20	DHGD	
Cc1ccc(C)n1-c1ccc(C(=O)NN=C2CCC[C@@H]2C)cc1	729140702	LSOLCCWBEQRJPX-ZDUSSCGKSA-N	309.413	4.000	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccc(F)c2)s1)C1CCC1	731936131	ILFVRUDUPIRQBG-UHFFFAOYSA-N	302.374	3.804	50	20	DHGD	
CC[C@@H](NC(=O)NNc1c(F)cccc1F)C1CCCCC1	735754935	IMJBSJQDLYKEQT-CQSZACIVSA-N	311.376	3.950	50	20	DHGD	
CN(C[C@@H]1OCCc2ccccc21)/C(=C\C#N)c1ccccc1	750797313	YQFQGFTXWFAFRO-FJZBCQJGSA-N	304.393	3.797	50	20	DHGD	
CN(Cc1ccccc1)[C@@H]1CCN(/C(=C\C#N)c2ccccc2)C1	750801410	ZTIAQUXXJUBDDG-COVVZGLNSA-N	317.436	3.757	50	20	DHGD	
CCC[C@@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752541959	CDIUQKGEHPFSSZ-YLQKULKDSA-N	300.377	3.771	50	20	DHGD	
O=C(C=C1CCCCC1)NNc1ccc(OC(F)(F)F)cc1	762844603	MIJBYQMVIANQAJ-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
CC(C)[C@H]1CC(=NNC(=O)c2ccc(N)cc2)c2ccccc21	766432711	ZFYWRPLDGMZGBJ-QGZVFWFLSA-N	307.397	3.546	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)OCc1c(F)cccc1F	766749969	QSCNAUWUGMGFIQ-LLVKDONJSA-N	321.161	3.818	50	20	DHGD	
CC(C)NC(=O)NN=CCCCc1cccc(C(F)(F)F)c1	769781216	YKEXSLDSZVWVKW-UHFFFAOYSA-N	315.339	3.722	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2c(C)cccc2F)c(C)c1	771697261	KCDYILWALSSTLB-UHFFFAOYSA-N	318.417	3.986	50	20	DHGD	
C#C[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	772976791	RPENDXGKZQDGHR-IIMQCXAKSA-N	323.440	3.655	50	20	DHGD	
CC(C)CC1(CNC(=O)/C(C#N)=C\c2ccc(O)cc2)CCC1	787430779	KXWZPBMYOMZQJC-YBEGLDIGSA-N	312.413	3.632	50	20	DHGD	
CC(C)NC1CCN(Cc2ccc(OCCCCl)cc2)CC1	788843687	QACPRBRYMLHOFT-UHFFFAOYSA-N	324.896	3.657	50	20	DHGD	
CSSCCNC(=O)c1ccc(Cl)c2ncccc12	791117423	WXQTVXRRDIOCAL-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(\C#N)C(=O)NC1CC1	799889339	MRNDWPCPXBURLQ-ZXXZFBTCSA-N	320.314	3.837	50	20	DHGD	
C[C@H](NC(=O)[C@@H](Br)C(C)(C)C)c1ccsc1	801439482	JOMQAZFZHNOGJM-WCBMZHEXSA-N	304.253	3.735	50	20	DHGD	
CSSCCNc1cc(C)nc2c([N+](=O)[O-])cccc12	804700051	MBMGQOQEIWQYQV-UHFFFAOYSA-N	309.416	3.875	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(C)cccc1C(C)C)[C@@H]1CCCO1	813116829	MWQRXNXWBYFBDW-HOTGVXAUSA-N	319.449	3.702	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCC[C@@H]2c2ccccn2)cc1	814998976	GLRJIWKJDLREDS-OAHLLOKOSA-N	324.384	3.535	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(C)cccc2F)c(C(C)C)n1	829617354	DUKAHUGTLYQLAG-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc3ccccc3c2O)c1	832311480	KCDNNTRZVRDUCG-UHFFFAOYSA-N	306.365	3.919	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCCc2cccs2)cc1	837359734	NORJKQDMSJKJID-UHFFFAOYSA-N	303.431	3.740	50	20	DHGD	
CC[C@@H](NC(=O)NNc1c(C)cccc1Cl)c1ccncc1	838489296	ATIPGNSGYKDPEI-CQSZACIVSA-N	318.808	3.821	50	20	DHGD	
COC/C(C)=C/C(=O)NNc1c(Cl)cc(Cl)cc1Cl	844272061	SOGNOQRXBAPMLC-XVNBXDOJSA-N	323.607	3.683	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(O[C@@H]3CCOC3)cc2)o1	849248963	BFHKQZHPLQIETN-XBNGYDHASA-N	323.348	3.546	50	20	DHGD	
CC1(CC(=O)NNc2ccc(OCc3ccccc3)cc2)CC1	862517078	DNJFWMMNNMEOOM-UHFFFAOYSA-N	310.397	3.899	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)C[C@H](C)c1c(C)n[nH]c1C	885124663	BBNZSVHWVLZPIB-JTQLQIEISA-N	320.824	3.625	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)c2ccc(Cl)nc2)cc1	915973937	VBDZADRVXNBHBG-UHFFFAOYSA-N	301.777	3.622	50	20	DHGD	
O=C(NN=Cc1c[nH]c2cc(Cl)ccc12)NC1CCCCC1	918708456	OALWOIOZDLUSPL-UHFFFAOYSA-N	318.808	3.787	50	20	DHGD	
Cc1cc(OC(=O)[C@@H](C)c2ccc(F)c(F)c2)ccc1[N+](=O)[O-]	1122406326	JPHVVNOOHIXJFS-JTQLQIEISA-N	321.279	3.891	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2ccccc2Cl)cc1	1317716460	CEPSSIZHFDBDQN-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CC(C)c1oncc1C(=O)NNc1ccc(C(C)(C)C)cc1	1521308310	LOBKEBLIBDWQAD-UHFFFAOYSA-N	301.390	3.852	50	20	DHGD	
CC(=NNC(=O)c1ccc(C(=O)O)cc1)c1ccc(C(C)C)cc1	1776098905	FMYIMULICJMZHK-UHFFFAOYSA-N	324.380	3.662	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)cc2)c1	1083903	LPHGOUHVHDSXTB-FOWTUZBSSA-N	305.381	3.607	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)c(OC)c2)cc1	6209555	FOMPMZDNACHRSC-XNTDXEJSSA-N	322.364	3.509	50	20	DHGD	
CCCCCCOc1ccc(/C=C(/C#N)C(=O)OC)cc1OC	40889033	LTQJQLSBPCXIBB-PTNGSMBKSA-N	317.385	3.734	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(OCC(F)(F)F)cc2)cc1	124553051	BNCXZEFAQURGNG-UHFFFAOYSA-N	324.302	3.693	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1COc2ccccc21	133056176	ZDXNOOAMTTUIQV-JTQLQIEISA-N	323.179	3.613	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2c(Cl)cccc2Cl)n[nH]1	133114608	PKOULKQBMASYKE-UHFFFAOYSA-N	313.188	3.597	50	20	DHGD	
CCO[C@H](C(=O)NNc1ccccc1Cl)c1ccccc1	158290268	VMKCDRFYXDBDLD-HNNXBMFYSA-N	304.777	3.561	50	20	DHGD	
Cc1ccc(NNC(=O)c2sc(C)nc2CC(C)C)cc1	158761139	PJLDAIRXYVYAPE-UHFFFAOYSA-N	303.431	3.715	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2cnn(-c3ccc(F)cc3)c2)n1	170844189	SPGOOTJCFGOTNM-AWNIVKPZSA-N	310.357	3.841	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)C1(c2ccccc2)CCC1	175386283	FCWFSUFTKNTYIT-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
CCS[C@@H](C(=O)NNc1ccc(Cl)c(F)c1)C(C)C	175441270	JTCBLLKVGJDYEJ-GFCCVEGCSA-N	304.818	3.700	50	20	DHGD	
CS[C@H](C(=O)NNc1cc(C)cc(C)c1)c1ccccc1	178982601	MJJQJHVUDOBKJU-INIZCTEOSA-N	300.427	3.851	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1ccc(O)c(F)c1	179172791	OSNFRCPUIXDZPD-ZSOIEALJSA-N	310.328	3.694	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cc(C)ccc2O)cc1	179606456	QEHJWAWJYPTMJL-RVDMUPIBSA-N	322.364	3.645	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccn1)c1ccccc1C(F)(F)F	181209379	JYTBEWITJISNQB-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)c2cc(F)cc(F)c2)cn1	194541157	AENUHHGGRAYIMB-QLKAYGNNSA-N	301.296	3.532	50	20	DHGD	
CCOc1c(Cl)cc(/C=C(\C#N)C(=O)OC(C)C)cc1OC	207666727	KOMDXDKIBNJENG-WUXMJOGZSA-N	323.776	3.606	50	20	DHGD	
C=C(CBr)CN1CCC(c2ncc(C)s2)CC1	279355886	QQLPPZKANDBKJH-UHFFFAOYSA-N	315.280	3.582	50	20	DHGD	
CCCCCOc1ccc(C(=O)NNc2ncccc2F)cc1	285803697	AQIFAFJXIQWGJW-UHFFFAOYSA-N	317.364	3.547	50	20	DHGD	
CCCCCCCCC(=O)NNc1nc(-c2ccccc2)no1	728080917	QHWVKKZJHXRFLM-UHFFFAOYSA-N	316.405	3.930	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2cnnc3ccccc23)cc1	733812340	VLVVIGVIRHFYMR-UHFFFAOYSA-N	320.396	3.585	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cccc(Cl)c1Cl	734979133	BREFIMUSJMWAOD-UHFFFAOYSA-N	313.106	3.786	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc(C)c1O	741472357	HJGONKJBLSHVDQ-ZSOIEALJSA-N	304.353	3.653	50	20	DHGD	
Cc1c(C(=O)NNc2ncnc3ccsc23)oc2ccccc12	766674114	OZSUVXDEPDNVKY-UHFFFAOYSA-N	324.365	3.503	50	20	DHGD	
C#CCCCCNC(=O)NNc1c(Cl)cc(F)cc1Cl	768096457	JNEWUMXQVDPHAC-UHFFFAOYSA-N	318.179	3.562	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	768192224	RBKZPXFCGJBCDQ-UMSGYPCISA-N	316.283	3.881	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1ccc2ccccc2n1	777460634	SCOSMBPLIUKASR-UHFFFAOYSA-N	321.380	3.779	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])cc2F)s1	777872749	YNMAWOABQXTRHI-WDZFZDKYSA-N	316.313	3.894	50	20	DHGD	
CC(C)[C@@H](C)N(C(=O)[C@@H](Br)C(C)(C)C)C1CC1	781078718	BIUTUPXBUKROTE-ZYHUDNBSSA-N	304.272	3.832	50	20	DHGD	
CO[C@]1(C(F)(F)F)CCCN(/C(=C\C#N)c2ccccc2)C1	781984713	JXRSZTAUQUIGRQ-CKNOQMABSA-N	310.319	3.594	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1cc(Cl)cc(Cl)c1	791730485	YBNPPRMPOBAHHX-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(Br)cc1	797338443	UBAXFLIDKATNJW-JLHYYAGUSA-N	321.218	3.662	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)C3CCCC3)s2)cn1	800790831	ANMQGVPINXWJDM-JYRVWZFOSA-N	311.410	3.815	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)CC(C)(C)C)cc1C(=O)OC	800790833	ANOHUNZLOALPBE-XFFZJAGNSA-N	303.358	3.541	50	20	DHGD	
CSSCCNC(=O)N1C[C@H](C)C[C@H]1c1ccccc1	805472656	FWRPFRZUGSHEHG-OCCSQVGLSA-N	310.488	3.790	50	20	DHGD	
Cc1c(C(=O)N2CC=C(C#N)CC2)sc2cc(F)ccc12	807177627	BXQJGDYZLVZSMI-UHFFFAOYSA-N	300.358	3.645	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(F)c(C(F)(F)F)c1	808246240	XHJMFJPWHUNJTL-UHFFFAOYSA-N	318.097	3.720	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc(OCC#N)c2)cc1C	809146735	TXSDLIZPXFSHHX-WQRHYEAKSA-N	316.360	3.996	50	20	DHGD	
Cc1cccc(OCC(=O)NN=Cc2csc3ccccc23)c1	812387830	SIFFCDGASJOIQR-UHFFFAOYSA-N	324.405	3.739	50	20	DHGD	
CC(C)(C)[C@@H]1CC(=NNC(=O)c2cccc(Cl)c2)CS1	814732244	FAAVHNKUPCPFTL-ZDUSSCGKSA-N	310.850	3.977	50	20	DHGD	
Cc1sc(NC(=O)NNc2cccc(C#N)c2)nc1C(C)C	824267458	DSECLSORWKCZTM-UHFFFAOYSA-N	315.402	3.595	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(C)cc1Cl	836937996	UPPDBCGOANVIJJ-UHFFFAOYSA-N	310.825	3.855	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)nc2)s1	840715447	BPFKAGRZOUOHGB-NTUHNPAUSA-N	311.410	3.934	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1cc(F)c(F)c(F)c1	851902895	UMFQHSWHMDVOTH-CQOUMUIBSA-N	322.168	3.928	50	20	DHGD	
CCC[C@@H](C(=O)NNC(=O)C1CCCC1)c1cccc(Cl)c1	858428379	UCLJTROKDMUKRH-OAHLLOKOSA-N	322.836	3.561	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccnc(C2CC2)c1	885127774	XEGGDIIKNNXCAD-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
O=C(NNc1ccc(Cl)c(Br)c1)C1CC=CC1	887212153	XJZHQOYTTCDFAU-UHFFFAOYSA-N	315.598	3.512	50	20	DHGD	
Cc1c(Cl)ccc2c(CC(=O)NCCCSC#N)coc12	897677659	UKYFWADACQHBPI-UHFFFAOYSA-N	322.817	3.658	50	20	DHGD	
CN(NC(=O)NCc1csc2ccccc12)c1ccccc1	918780049	NIHXOZHAFCAAFU-UHFFFAOYSA-N	311.410	3.752	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2cccc(Cl)c2)cc1	1317703747	NIHMZXVTSBEZGJ-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CC(C)[C@H]1N(C(=O)c2cccc(CCl)c2)CC12CCOCC2	1358306676	PDUGJGCSZOOINE-MRXNPFEDSA-N	321.848	3.703	50	20	DHGD	
CC[C@H](C)n1ncc(C(=O)NNc2ccccc2F)c1C1CC1	89866061	NYVFZBVYKUZGMT-NSHDSACASA-N	316.380	3.628	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc([N+](=O)[O-])ccc2Cl)c1	127622710	JMRRKJLPLDWPOA-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cc(F)cc(F)c1	153627409	OXXJYBWHZGINMT-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
O=C(NNc1ccccc1Cl)C1(Cc2ccccc2)CC1	158458465	DLKKVMHEROJUSZ-UHFFFAOYSA-N	300.789	3.806	50	20	DHGD	
C[C@H]1C/C(=C\c2cnn(CCCl)c2)C(=O)c2ccccc21	178902381	HWHXNXIXCYISBL-IGVUGNCQSA-N	300.789	3.895	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2ccc3[nH]ccc3c2)c1	181481825	RUUHVKXKNFVQII-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1F	195501963	XMNHYSPTJFHGMO-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
C=CCOc1ccc(/C=C(/C#N)C(=O)c2ccco2)cc1OC	212652916	XAFWBFVJHDONCT-UVTDQMKNSA-N	309.321	3.643	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1Cl	255058376	VPORQZDIXSEBSL-YHYXMXQVSA-N	316.710	3.790	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)/C=C\SCc2ccco2)c1	255850532	YVKASHGRFYUBNK-CLFYSBASSA-N	302.399	3.787	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)N1CCc2ccncc21	273515180	UZRMGWZBUHSUBS-CYBMUJFWSA-N	308.472	3.685	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)/C(C#N)=C/c1ccc(O)cc1	491175619	LTTVBPMQJVMYLQ-RVDMUPIBSA-N	322.364	3.645	50	20	DHGD	
O=C(/C=C\c1ccc[nH]1)NN(c1ccccc1)c1ccccc1	588546939	XVMASXGMJKBDQX-YPKPFQOOSA-N	303.365	3.897	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(SC(F)F)cc2)cc1	729272309	NRSFAHOBNCFXPN-UHFFFAOYSA-N	324.352	3.767	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1cccc2ncccc12	730146487	YDFWXJRRSQBIRH-UAZNZQHGSA-N	301.349	3.664	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc(Cl)c(F)c1)c1ccccc1	731151387	YMGVGYMXBZVOPD-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)cc1)c1ccc(Cl)s1	733201605	WCVCXWXBISBMPQ-UHFFFAOYSA-N	308.790	3.651	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCCCCn2cccn2)cc1	733396499	XHWCMKJPUOJJRF-JXAWBTAJSA-N	323.396	3.512	50	20	DHGD	
CC[C@@H](C)C[C@H](C)NC(=O)NNc1cc(F)c(F)cc1F	745889671	HQYVAZHZKRFTAB-BDAKNGLRSA-N	303.328	3.555	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Nc1nc2ccccc2s1	747825083	XDBFDAUPTSIAHI-UHFFFAOYSA-N	316.361	3.892	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ccccc1Br)CC	748070261	KCURBGOVXDGEQO-VVVHQUFHSA-N	309.207	3.805	50	20	DHGD	
COc1cc(C)c(/C=C(\C#N)C(=O)CC(C)(C)C)cc1OC	751446669	NIXJYUVOZKWMSJ-RIYZIHGNSA-N	301.386	3.925	50	20	DHGD	
CCCCC[C@@H](C(=O)NNC(=O)c1ccccc1C)C(C)C	755056838	SZALLYMHKTZLOB-OAHLLOKOSA-N	304.434	3.609	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CC[C@@H]3CCCC[C@H]3C2)cc1	756765800	HFSNLRPWPAMYPX-SOUVJXGZSA-N	302.418	3.745	50	20	DHGD	
COc1cc(C(=O)NN=C(C)CC2CCC2)ccc1OC(C)C	758373603	YXAUMYAGATZQSL-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1c(F)cccc1F)c1ccccc1	759656849	ASLJJIDXMGCSAF-LBPRGKRZSA-N	302.324	3.768	50	20	DHGD	
COC1CCC(CC(=O)NNc2c(C)cc(C)cc2C)CC1	759657736	MCTACPZZYHVAEJ-UHFFFAOYSA-N	304.434	3.650	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cnc(-c3cccnc3)s2)c1	762002989	LYBWHEYQDRGUKD-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
N#Cc1ccc(NNC(=O)C=C2CCCCC2)cc1C(F)(F)F	762817986	JJYHPBFDDBMDRM-UHFFFAOYSA-N	323.318	3.911	50	20	DHGD	
C[C@@H]1Cc2ccccc2CN1C(=O)[C@@H](Br)C(C)(C)C	768188309	UKNNDHVJKXATKS-BXUZGUMPSA-N	324.262	3.769	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C(F)=C1CCCC1	775271662	QCCAFBFXMBTHNW-UHFFFAOYSA-N	304.152	3.629	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(C)cccc1C	777481981	PWXJDVMMPLZQJR-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCC[C@H]1CC1CCCCC1	780754782	JEBALMIDBBNTPM-HNNXBMFYSA-N	321.914	3.770	50	20	DHGD	
Cc1cc(F)ccc1NC(=O)[C@H](Br)C(C)(C)C	781070888	MHGHJCKLUIYYSL-NSHDSACASA-N	302.187	3.882	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)NCC(C)(C)C(C)C)cc1	783814048	NJVDGMPFQWPBTQ-LFIBNONCSA-N	314.429	3.791	50	20	DHGD	
Cc1cc(C)c(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)c1	785175572	NRJGBUIWAUUFSL-LICLKQGHSA-N	322.383	3.974	50	20	DHGD	
O=C(Cc1cccc(C(F)F)c1)NNc1ccccc1Cl	790902303	VHQJCUPPFCXRIS-UHFFFAOYSA-N	310.731	3.963	50	20	DHGD	
CO[C@@H](C(=O)NNc1c(Cl)cc(Cl)cc1Cl)C1CC1	791442291	FQKIOLDSSMIIOR-LLVKDONJSA-N	323.607	3.515	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)c1cccc2ccccc12	793548614	FYNJRJPWVAHVPX-LJQANCHMSA-N	312.413	3.817	50	20	DHGD	
CCCN(N=C1CCc2c(O)cccc21)C(=O)OC(C)(C)C	794997844	GSBSDEALSMJABC-UHFFFAOYSA-N	304.390	3.690	50	20	DHGD	
C=C(CBr)COC(=O)c1scc(C)c1Cl	795624091	XYZTZJCESGRIHX-UHFFFAOYSA-N	309.612	3.818	50	20	DHGD	
Cc1cc(OC(=O)C[C@@H](CC#N)c2ccccc2)ccc1[N+](=O)[O-]	796532303	CKBFFAVUPYMYSO-OAHLLOKOSA-N	324.336	3.896	50	20	DHGD	
CC(C)(C)c1ccc(CCC(=O)NNc2cccc(F)n2)cc1	804772046	YVPBJBDZBKKGMN-UHFFFAOYSA-N	315.392	3.594	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)cc1F	812245089	NGKCYYSCKQTVHB-GHXNOFRVSA-N	313.288	3.592	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)COc1cccc(C#N)c1	812765101	VPIGQNAJFFUJJG-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1c(C)nn(C)c1C	812958955	WAMOOBMHIKDIRX-UHFFFAOYSA-N	315.421	3.617	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNC(=O)CC(C)(C)C2CC2)cc1	814730213	LXQIKLXGNLKSKK-UHFFFAOYSA-N	316.445	3.571	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)nc1)Nc1ccc(Cl)cc1	815004574	KCFKTXCAKUVDNX-UHFFFAOYSA-N	309.156	3.544	50	20	DHGD	
C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCCSC#N	816538210	JHJCKMALIRQLOC-JTQLQIEISA-N	314.863	3.541	50	20	DHGD	
C[C@H](Cc1ccccc1Cl)C(=O)N(C)CC(Cl)Cl	816628260	NOJDYHPXPKWLHQ-SECBINFHSA-N	308.636	3.781	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@]2(C)CCc3ccccc3C2)cc1	817925909	WJHCIRSPWXRCEK-HXUWFJFHSA-N	324.424	3.724	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@@]2(C)CC2(Cl)Cl)c1	824227128	PSIORTUYQZDSDO-ZDUSSCGKSA-N	301.217	3.721	50	20	DHGD	
C[C@@H](c1ccc2ccccc2c1)N(C1CC1)S(=O)(=O)CCl	830184372	BSJVEPNDEQGQLO-LBPRGKRZSA-N	323.845	3.891	50	20	DHGD	
COc1cccc(CNC(=O)NNc2ccc(C(C)C)cc2)c1	836243589	DFEJMWXXKHWGLR-UHFFFAOYSA-N	313.401	3.645	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2COc3ccccc3C2)cc1	837058157	KODZVFYQCRBAMO-INIZCTEOSA-N	310.397	3.504	50	20	DHGD	
CSC1(C(=O)NNc2cccc(Cl)c2Cl)CCC1	838349332	OSRQZAMHZXZMTD-UHFFFAOYSA-N	305.230	3.722	50	20	DHGD	
COCCC1(CNC(=O)NNc2ccc(C(C)C)cc2)CCC1	838515877	FBBQGPJDSTVNMV-UHFFFAOYSA-N	319.449	3.643	50	20	DHGD	
CC[C@@H](C)CONC(=O)NNc1cccc(Cl)c1Cl	838600267	PJYJIPDTUYDCKH-MRVPVSSYSA-N	306.193	3.597	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@]1(C)CCC[C@H]1C	840544496	AIWPDLWWGLJKLT-MEBBXXQBSA-N	310.829	3.523	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CCN1CCCC1	844348408	XVFUCNDBVKFFIC-MRXNPFEDSA-N	312.574	3.568	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)N(C)CC(Cl)Cl)o1	848080529	LLAGLLHISLAHSV-GXSJLCMTSA-N	304.217	3.598	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)NC1CCCC1	853197648	WKPPUPLMYGRDLP-UHFFFAOYSA-N	310.810	3.518	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@@H]2CCCC(F)(F)C2)cc1F	854040095	RIPJVFLIHYTLAI-LLVKDONJSA-N	315.339	3.586	50	20	DHGD	
CCS[C@H](C(=O)NNc1cc(F)cc(Cl)c1)C(C)C	855619236	FEHIKELBKQPIGQ-LBPRGKRZSA-N	304.818	3.700	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(F)cc(Cl)c2)c(C2CC2)n1	855620905	CWUIHCKEURTNCI-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cc1ccc(CCC(=O)NC[C@@]2(C)C[C@H]2Br)c(C)c1	857402839	LNNHWCROEUSYMT-GDBMZVCRSA-N	324.262	3.526	50	20	DHGD	
Cc1c(C(=O)NC[C@@]2(C)C[C@H]2Br)oc2ccccc12	857403935	KLRJHVMPXVMEQU-IUODEOHRSA-N	322.202	3.645	50	20	DHGD	
Cc1csc(C(C)(C)NC[C@@H](CBr)C2CC2)n1	859193497	YHDNDYJOKAFCMO-LLVKDONJSA-N	317.296	3.697	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)[C@@H]1[C@H]2CCC[C@H]21	862519145	UESMWCLDTHNGPR-BWTSREIZSA-N	322.408	3.755	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1ccc(C(=O)N2CCCC2)cc1	864365718	AETKAOJKXZTITR-ATVHPVEESA-N	324.424	3.835	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCCCC2)c(C)n1CC(C)C	865238463	NTZFLOUCNLLGMW-WOJGMQOQSA-N	313.445	3.680	50	20	DHGD	
Cc1nc(C(C)C)ncc1C(=O)NNc1ccc(C(C)C)cc1	880231036	TVQOUAYGIWOMQQ-UHFFFAOYSA-N	312.417	3.789	50	20	DHGD	
COC(=O)c1cc(/C=C(\C#N)C(=O)C2CCCCC2)cs1	901485140	DBGZQFXAUVLDTB-NTUHNPAUSA-N	303.383	3.591	50	20	DHGD	
CCCCCC1=CCCC1=NNC(=O)Cn1cnc2ccccc21	916274703	ZXWJDAXLRFJPMK-UHFFFAOYSA-N	324.428	3.809	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(OC)cc2F)cc1	916329840	ZAXMDHVRJZJFLB-UHFFFAOYSA-N	314.360	3.551	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Oc2ccc(Cl)c(C)c2)cc1	916998134	KRQITFFZZXQZHR-CYBMUJFWSA-N	318.804	3.867	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cccc(Cl)c2Cl)c(O)c1	917556477	XWHAXTIAIXGDLR-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(C=NNC(=O)c2ccccc2Cl)o1	1115818765	WGCAPDUKHDBHCY-ZWNOBZJWSA-N	302.761	3.820	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1ccc(C(C)(C)C)nn1	1116155787	INGZMSOAOUFWRK-CYBMUJFWSA-N	306.454	3.824	50	20	DHGD	
C[C@@H](CNC(=O)C1CCC(Cl)CC1)Oc1ccccc1F	1263751254	WQNIVMDSQGMZIV-HIFPTAJRSA-N	313.800	3.507	50	20	DHGD	
Cc1cnccc1CCNC(=O)CCCC[C@@H]1CCSS1	131910107	UPADRABDYHFFIQ-OAHLLOKOSA-N	324.515	3.763	50	20	DHGD	
COc1ccc(CN(C[C@@H](C)CBr)C2CC2)cc1	133538376	UJXGQUJSSLPQQN-LBPRGKRZSA-N	312.251	3.691	50	20	DHGD	
O=C(CCC1CCC1)NNc1ccc(F)cc1Br	153813543	NDXHUWXZTCFULP-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cc(C)c(C)cc1OC(F)F	174055772	WQTCVQVMDWLLBR-MDWZMJQESA-N	307.296	3.541	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(Cl)c(F)c1)c1cccc(O)c1	175504356	PWLUUZVPOIRALN-VIFPVBQESA-N	323.755	3.572	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1ccccc1OC(F)(F)F	190177283	GJRKQTQWSAGQBL-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)nc3onc(C(C)C)c23)c1	194447738	DYMAZLFLTPDBAP-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CC(C)(C)c1ccc(OS(=O)(=O)CCCCCl)cc1	196410750	OJSKDYBRDFEQBM-UHFFFAOYSA-N	304.839	3.712	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1c(C)n[nH]c1C	490550191	ODJNERITWBJAFI-MHWRWJLKSA-N	322.412	3.697	50	20	DHGD	
COc1cc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)c(C)cc1C	490692688	HNRGNOARDYNZFV-OQLLNIDSSA-N	322.364	3.563	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc([N+](=O)[O-])s2)s1	588421057	FLOLSMGCFYJEFR-TWGQIWQCSA-N	304.352	3.816	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2cccc(F)c2)ccc1O	588597566	VMDZPQOQDBLLPG-ZSOIEALJSA-N	311.312	3.720	50	20	DHGD	
CC(C)CC[C@@H]1CCCC1=NNC(=O)c1ccc2c(c1)OCO2	727250850	YQGAYAIXQHWHTQ-ZDUSSCGKSA-N	316.401	3.737	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)C[C@H]1C[C@H](C)CC(C)(C)C1	727366515	KZLLTCPLJVUFGI-DZGCQCFKSA-N	316.445	3.609	50	20	DHGD	
O=C(CCC1CCCCC1)NNC(=O)Nc1ccc(Cl)cc1	727472945	SDLXRBNZNSPZIP-UHFFFAOYSA-N	323.824	3.853	50	20	DHGD	
COCCOC(=O)/C(C#N)=C/c1cccc(-c2ccccc2C)c1	729641237	FNFNLCZZVYYTQQ-QGOAFFKASA-N	321.376	3.759	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc2c1CCC2	734249989	LSBZMQHOQLUVRI-UHFFFAOYSA-N	309.394	3.542	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc([N+](=O)[O-])c(O)c3)[nH]c12	735618877	GSAJGSQLIBPKFK-GHXNOFRVSA-N	320.308	3.549	50	20	DHGD	
CCS[C@H](C(=O)NNc1ccc(C(F)(F)F)cc1)C(C)C	747609180	NLCJRMHBURLWBL-LBPRGKRZSA-N	320.380	3.926	50	20	DHGD	
C/C=C(/C=C/C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)CC	748629776	OMSBJTILDUFOSA-GQHUZBHDSA-N	323.318	3.933	50	20	DHGD	
O=C(NN=Cc1ccc2ccccc2n1)c1cc2ccccc2o1	749824224	ZVPRNBHYIZNYNT-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
CCCCc1ccc(NC(=S)NNC(=O)[C@@H](C)C(C)C)cc1	750297957	ZFDWDRUKDOEJFE-ZDUSSCGKSA-N	321.490	3.639	50	20	DHGD	
O=C(NN=CCCCCOc1ccccc1)c1ccccc1F	753954943	JGDVBHFOBPIWLB-UHFFFAOYSA-N	314.360	3.791	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@H]2C[C@@H]2c2ccccc2)c1	755503601	BHTVFMJAWQCGCC-QZTJIDSGSA-N	322.408	3.588	50	20	DHGD	
C=C(C)COc1cc(/C=C(/C#N)c2ccncn2)ccc1OC	758915718	NKIHYTBCALWXGA-NVNXTCNLSA-N	307.353	3.504	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	759152101	YBBNTRNMVQZAIK-ZJUUUORDSA-N	311.769	3.518	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(Br)cc1)C(C)C	763564799	SIEWILPZUSAREJ-CYBMUJFWSA-N	313.239	3.965	50	20	DHGD	
Cc1c(C(=O)NNc2nc3ccccc3[nH]2)oc2c(F)cccc12	768505703	UQYAVIBSSXPSOJ-UHFFFAOYSA-N	324.315	3.514	50	20	DHGD	
CCOCCC1(C(=O)OC[C@@H](C)CBr)CCCC1	770406576	VWKDUQQBCPGHEK-LBPRGKRZSA-N	321.255	3.548	50	20	DHGD	
CCOc1cc(C)ccc1NC(=O)NNc1c(C)cccc1F	771111508	HKLZSTYALLMSAK-UHFFFAOYSA-N	317.364	3.990	50	20	DHGD	
Cc1cccc(C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1	773105703	VQTXUWOOYVNFHN-ZDUSSCGKSA-N	316.788	3.566	50	20	DHGD	
N#C/C(=C\c1cccc(C(=O)O)c1)C(=O)c1cc2ccccc2o1	774121087	UDMKTWQLRPXQGX-OQLLNIDSSA-N	317.300	3.921	50	20	DHGD	
O=C(NNc1ccccn1)C1(c2ccc(F)cc2)CCCCC1	777472821	BCYWYPVFXYWUKH-UHFFFAOYSA-N	313.376	3.566	50	20	DHGD	
O=C(NNc1ccccc1)c1c[nH]nc1-c1cc2ccccc2o1	780948155	HBPFAKGKIXVWLB-UHFFFAOYSA-N	318.336	3.580	50	20	DHGD	
C[C@@H](Cc1cccs1)NC(=O)[C@@H](Br)C(C)(C)C	781090169	YOSWDVOAGHIPRE-GXSJLCMTSA-N	318.280	3.605	50	20	DHGD	
CO[C@@H](C(C)=NNC(=O)c1cc2ccccc2o1)c1ccccc1	782243441	UZSOHIUCXCZZAZ-SFHVURJKSA-N	322.364	3.926	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(C(C)(C)C#N)cc1	796039891	LJFSKUSNIPASSF-LLVKDONJSA-N	324.218	3.676	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cn(C(C)C)nc2C)c1	798345696	YNCLTBODTWNFIS-OVCLIPMQSA-N	309.369	3.571	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CC(C)(C)OC1(C)C	799616786	HRHSEGFSVJOHTK-CQSZACIVSA-N	319.449	3.530	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@H]1CCCC(C)(C)C1	805382432	RCCITHDEHOVMLC-LBPRGKRZSA-N	305.378	3.563	50	20	DHGD	
C=C(CBr)CN[C@H](COC)c1cccc(Cl)c1	808799610	ABKRRVIVDKBGKY-CYBMUJFWSA-N	318.642	3.568	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1conc1C1CC1	810563088	VFOJJNQLPBOOAH-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CO[C@](C)(C=NNC(=O)c1c(Cl)cccc1Cl)C1CC1	814833671	OWUKLXOATLQFOQ-CQSZACIVSA-N	315.200	3.524	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(C)nc1C	814867337	ZRBBNUJECJMYHV-UHFFFAOYSA-N	307.353	3.599	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)CSc1ccccc1O	814968835	NSBRYFCHRYMJOO-CYBMUJFWSA-N	320.458	3.803	50	20	DHGD	
CCC(=NNC(=O)Nc1cc(F)cc(F)c1)c1cccs1	815007025	KPVXHODJDYJXKN-UHFFFAOYSA-N	309.341	3.962	50	20	DHGD	
O=C(CCc1cncs1)NNc1ccc(Cl)cc1Cl	815850461	MWKFGMWMIZTWHA-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@H](C(F)(F)F)C1	817011025	CJXWOTJRXRBLGV-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](C)Cc2ccc(F)cc2)cc1	817899301	IVVQJCGMVSOWAP-ZDUSSCGKSA-N	316.376	3.546	50	20	DHGD	
O=C(NNC(=O)C1CCC2(CC1)CC2)c1ccc2ccccc2c1	822598187	HYFXGKPMIBUQTB-UHFFFAOYSA-N	322.408	3.571	50	20	DHGD	
CC(C(=O)NNc1ccc(Br)c(C)c1)=C1CCC1	827520854	LOJXOFOVFBYTSR-UHFFFAOYSA-N	309.207	3.701	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1cccc(Br)n1	837211994	HPBBQFHXURMNPP-CYBMUJFWSA-N	314.227	3.504	50	20	DHGD	
N#CC(C#N)=CNc1ccc(SCCN2CCCCC2)cc1	843263587	JOPSRHAECBGDPR-UHFFFAOYSA-N	312.442	3.608	50	20	DHGD	
CSCC1(CC(=O)NNc2cc(Cl)cc(Cl)c2)CC1	846008811	QLIILKJCXBFMFL-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)N(C)CC(Cl)Cl)o1	848080530	LLAGLLHISLAHSV-KOLCDFICSA-N	304.217	3.598	50	20	DHGD	
Cc1ccccc1C1(C(=O)NCCCSC#N)CCCC1	854359967	DASACVGPRKNDNQ-UHFFFAOYSA-N	302.443	3.527	50	20	DHGD	
CC(C)(C)c1ncc(CNC[C@@]2(C)C[C@H]2Br)s1	856807195	LVSRBVOBSIVURU-ZWNOBZJWSA-N	317.296	3.704	50	20	DHGD	
COc1ccc(NNC(=O)C=C2CCCC2)c(C(F)(F)F)c1	857265407	MIEBRNVEHSPUFO-UHFFFAOYSA-N	314.307	3.658	50	20	DHGD	
Cc1cc([C@H]2CCCN2C[C@H](CBr)C2CC2)no1	859060364	QCWSNKXDCULJIA-GXTWGEPZSA-N	313.239	3.541	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCN(C3CCCCC3)CC2)c1	863155435	KPKYLKDOYIUFDC-UHFFFAOYSA-N	319.474	3.571	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)COc1ccc(Cl)cc1Cl	916254529	HVHITQMVJROPCY-SECBINFHSA-N	317.216	3.910	50	20	DHGD	
CCC(=NNC(=O)Cc1csc(C)n1)c1ccc(Cl)cc1	916317361	LIKXGHVAZYGIAH-UHFFFAOYSA-N	321.833	3.578	50	20	DHGD	
CCCn1cccc1C=NNC(=O)c1ccc(C(C)(C)C)cc1	918153124	TZTYLKIBYHLOGA-UHFFFAOYSA-N	311.429	3.960	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2CCC(=O)[C@@H](C)C2(C)C)ccc1Cl	928340059	QFBIFJLERDOLFK-DGCLKSJQSA-N	322.836	3.733	50	20	DHGD	
Cc1cc(NNC(=O)c2c(C)noc2C(C)C)ccc1Cl	928342404	WJDAXPVTJJFVOU-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
CSSCCNC(=O)N(CCc1ccccc1)C(C)C	1117402810	JNACDFIBUIDCIM-UHFFFAOYSA-N	312.504	3.660	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1n[nH]c2c1CCCC2	1321598158	KQMCANJDTQCPAO-UHFFFAOYSA-N	302.422	3.531	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(C(=O)O)c(Cl)c1	1595542255	SWYZVFAGJJFHAA-OAHLLOKOSA-N	312.797	3.698	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C3CCC3)cc2)cc1C(=O)O	1600461340	GJZHORCLUAXPLV-UHFFFAOYSA-N	324.380	3.718	50	20	DHGD	
CCC[C@@H](Cl)C(=O)NC1(c2ccc(NC(C)=O)cc2)CCC1	1787812774	SJDJUPUHCQGJLX-OAHLLOKOSA-N	322.836	3.548	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1csc(C2CC2)n1)c1ccccc1	66405783	CZJIKWWSSFELOH-ZENNRRHLSA-N	323.421	3.805	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(C)cc2C)cc1	111682233	LFAVRVRSUKZRBJ-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
CC[C@H](NNC(=O)c1cccc2ncccc12)c1ccccc1	112545170	SAJZWSDAZYRXCI-KRWDZBQOSA-N	305.381	3.621	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc2ccc(Cl)cc2[nH]1	152888552	SFLSDEFWEOZPGS-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)C1(c2ccccc2)CC1	153595248	HFCMOGVXCLMHFU-UHFFFAOYSA-N	320.314	3.880	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)cc1	158695388	ZPWBLLVREBIAEB-WIPBYAEJSA-N	322.339	3.936	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)C)c(SC)cc1OC	172698780	DJOIUEBHIULNMG-KPKJPENVSA-N	319.426	3.948	50	20	DHGD	
Cc1ccccc1C(C)(C)C(=O)NNc1ccc(F)cc1F	178299988	NIQIINSILUJETB-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCCC[C@H]1c1cccc(C)c1C	255337707	JTWSLLVMXDMRNL-QCUIPMNBSA-N	312.413	3.801	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(CC#N)cc2)cc1	272533902	BSRINPQGCXMPKY-UHFFFAOYSA-N	307.397	3.807	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCCc2sccc21	364296788	XTSRHMRLUKGRRU-GFCCVEGCSA-N	304.390	3.759	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1cccnc1	490587672	GRMHUDOLSZTDQR-BOPFTXTBSA-N	305.381	3.752	50	20	DHGD	
CC(C)c1cnc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)s1	490906684	DXZOYDZKMJDYDN-KPKJPENVSA-N	313.382	3.518	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)c1cc(Cl)ccc1O	729635251	KKBJMBZVDBDDDM-UHFFFAOYSA-N	314.838	3.683	50	20	DHGD	
O=C(NCc1c(Cl)cccc1Cl)NNc1ccccc1	734272034	ILFLOWVTGTUMLU-UHFFFAOYSA-N	310.184	3.820	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(Br)c(C)c1	746391880	DCKNFRPDBHVPCX-LCYFTJDESA-N	321.218	3.581	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@H](C)C1)C(=O)NNc1ccc(OC)cc1	746885583	AGRPNAHANLOGSZ-XKQJLSEDSA-N	320.433	3.512	50	20	DHGD	
C=CCCC(=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)C1CC1	747753580	SEOGBECFPLNJTK-UHFFFAOYSA-N	322.412	3.847	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)[C@H](C)c1nc2ccccc2s1	748780619	MTCNFTYSOWLVGM-JTQLQIEISA-N	312.398	3.534	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C[C@@H]1CCC[C@H](C)C1	751165904	FWPGLMNNFHQNMY-NWDGAFQWSA-N	307.346	3.725	50	20	DHGD	
CCC1(C(=O)NNc2ccnc3cc(Cl)ccc23)CCC1	751360873	OCXYTOMWYHCSNZ-UHFFFAOYSA-N	303.793	3.912	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CC(=O)NNc1ccc(-c2ccccc2)nn1	754472136	PDSFNQGMFRSFLP-ZBFHGGJFSA-N	324.428	3.803	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1ccc(Cl)nc1	766751166	JYVQPBALLRMKMH-JTQLQIEISA-N	320.614	3.588	50	20	DHGD	
Cc1ccc2c(C(=O)OC[C@H](C)CBr)c[nH]c2c1	770345498	FZTWBWZYJYQXPK-SNVBAGLBSA-N	310.191	3.664	50	20	DHGD	
Cc1ccc(CC(=O)OC[C@@H](C)CBr)c(Cl)c1	770405984	PMRSERDQNGTPPZ-JTQLQIEISA-N	319.626	3.765	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)OC[C@H](C)CBr)cc1	770415776	SDYBLENNZWKNNQ-SNVBAGLBSA-N	321.161	3.661	50	20	DHGD	
C[C@H](CBr)CNC1(c2ccc(F)cc2F)CCC1	770666469	LSNOYDRASQJJRY-SNVBAGLBSA-N	318.205	3.965	50	20	DHGD	
CC1=C(C(=O)NNc2ccccc2OC(F)(F)F)CCC1	779200696	LPMAKYPUBQUNGD-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccc(Cl)c2)s1)C(F)F	782233819	HUDRQTXTXILZNK-UHFFFAOYSA-N	314.744	3.784	50	20	DHGD	
Cc1cc(C=NNC(=O)Nc2ccccc2C)cc(Cl)n1	788712127	NJPLCCUXDMYMRS-UHFFFAOYSA-N	302.765	3.507	50	20	DHGD	
COc1cc(NNC(=O)NCCCC(C)(C)C)ccc1Cl	789038652	PUVMLUNDPLRAPN-UHFFFAOYSA-N	313.829	3.801	50	20	DHGD	
COc1cc(NNC(=O)C=C(C2CC2)C2CC2)ccc1Cl	790180015	LFGLAAVKOWARKW-UHFFFAOYSA-N	306.793	3.538	50	20	DHGD	
Cc1ccccc1-n1nccc1/C=C(\C#N)C(=O)C1CCCC1	794875142	MXERURDNIPFRRM-FOWTUZBSSA-N	305.381	3.847	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C2CCOCC2)c2ccccc12	794958978	QIJXWVBZFOLIRZ-FOWTUZBSSA-N	321.376	3.751	50	20	DHGD	
CN(CCCN(C)/C(=C/C#N)c1ccccc1)Cc1ccco1	796677202	VRXOUHKNPWCHCP-YBFXNURJSA-N	309.413	3.598	50	20	DHGD	
CSSCCNC(=O)N1CC[C@H](C)C[C@@H]1c1ccco1	807229304	ULRKTXSSMPUWII-NWDGAFQWSA-N	314.476	3.773	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3ncccc3F)sc12	809891307	PQFTUGKFZVEJTD-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC2(CCCC2)CC1	811642357	NYHXQRCLMHLJKM-UHFFFAOYSA-N	300.402	3.915	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1ccc(C#N)cc1	812768234	LCSANBMJQUZHBR-UHFFFAOYSA-N	307.397	3.676	50	20	DHGD	
CC[C@H](CC(=O)NNc1nc2ccccc2n1C)c1ccccc1	816578441	BYEWBNMYFHBPLU-CQSZACIVSA-N	322.412	3.600	50	20	DHGD	
CC(C)(C(=O)NNc1ncc(Cl)cc1Cl)C1CCC1	828829659	WHQMVBVVPFLLKP-UHFFFAOYSA-N	302.205	3.658	50	20	DHGD	
Cc1cc(C)c([C@H](C)OC(=O)/C(C#N)=C/c2cnn(C)c2)c(C)c1	837970425	CVOBPAJXWLNKGW-IWAJPKQASA-N	323.396	3.557	50	20	DHGD	
CC(C(=O)NNc1ncnc(Cl)c1C(C)C)=C1CCCC1	840547462	PDOZEGSMWAJYFN-UHFFFAOYSA-N	308.813	3.587	50	20	DHGD	
Cc1cc(N)cc(CNC(=O)NNc2ccc(C(C)C)cc2)c1	842008438	WXPCHFOCUNZPHG-UHFFFAOYSA-N	312.417	3.527	50	20	DHGD	
Cc1nc([C@@H](C)N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n[nH]1	844338045	WQVRHTSEPMDNOF-OCCSQVGLSA-N	324.545	3.660	50	20	DHGD	
CCc1cccc2cc(/C=C(\C#N)C(=O)C3CCOCC3)oc12	849248503	TYAIUKROVRGLDK-LFIBNONCSA-N	309.365	3.898	50	20	DHGD	
CCCNC(=O)/C(C#N)=C\c1cc(C)n(-c2cccc(C)c2)c1C	857653694	JIBFJLFQKXCJEL-PDGQHHTCSA-N	321.424	3.836	50	20	DHGD	
Cc1sccc1CC(=O)OC[C@@H](CBr)C1CC1	859649344	JVJLNZGUEDTLAF-GFCCVEGCSA-N	317.248	3.563	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@H]1CN1CC2(CCOCC2)[C@H]1c1ccccc1	894914963	YQHLLODJSPURFZ-QSPRXWTASA-N	305.849	3.713	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2cncn2C(C)C)c(C)c1	901418557	JOOHFAAGLNXWNM-PXNMLYILSA-N	322.412	3.935	50	20	DHGD	
CCN1CC(=O)N[C@@H]1c1cccc(S(F)(F)(F)(F)F)c1	905029491	QQRBNAXCJNZERB-NSHDSACASA-N	316.295	3.794	50	20	DHGD	
CCCCOc1ccc(/C=C(\C#N)C(=O)OCC)cc1OCC	915838494	UPCNWLSUFLFEDW-RVDMUPIBSA-N	317.385	3.734	50	20	DHGD	
CCCOc1c(C=NNC(=O)OC(C)(C)C)cccc1OCC	916266819	GXOVLTHEWPZEIO-UHFFFAOYSA-N	322.405	3.733	50	20	DHGD	
COc1ccccc1OCC(=O)NN=C(CC(C)C)CC(C)C	916296277	CSRDAMDBUKKRSB-UHFFFAOYSA-N	320.433	3.638	50	20	DHGD	
C[C@@H]1CCC[C@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	918211602	PPSDCFRANSEFPG-MNOVXSKESA-N	315.339	3.910	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCC(C)(C)C)c(C)n1CC(C)C	919832348	OYZZMWKVVNHAOH-MFOYZWKCSA-N	315.461	3.830	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	928337976	ZPSXJYUUPIBZRA-BBRMVZONSA-N	324.852	3.933	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cncn1-c1ccccc1	1252005211	SRIMIVRKUYXTOL-HNNXBMFYSA-N	322.412	3.558	50	20	DHGD	
COc1ccc2cc(C(=O)NNc3ccccc3F)ccc2c1	1322845473	LVGOPIGTMJPSLL-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
Cc1coc(C(=O)Oc2ccc([N+](=O)[O-])c3ncccc23)c1C	1325344745	HMJSGNZYNROOID-UHFFFAOYSA-N	312.281	3.572	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1	1326050158	RLXUZIDKTDJDPJ-LZAIMSLLSA-N	315.398	3.824	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(C)C)cn2)cc1Cl	1327517330	KVERLFUKTBKGPH-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC2(CCC2)[C@@H]1c1ccncc1	1348887174	DBRMCHBOOISABO-GPANFISMSA-N	318.848	3.933	50	20	DHGD	
O=C(N[C@@H](CF)c1ccc(F)cc1)C1CCC(Cl)CC1	1352587429	YOWOBEFRNINMCD-YIZWMMSDSA-N	301.764	3.750	50	20	DHGD	
N#C/C(=C\c1cc(C(=O)O)co1)C(=O)c1cc2ccccc2s1	1610619272	UJPACHKTNQPRRT-VZUCSPMQSA-N	323.329	3.982	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1c[nH]nc1C(C)(C)C	60529052	ADMXDYIROORHLG-UKTHLTGXSA-N	308.385	3.561	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1	72514286	MIPXCVSDIBAZAQ-LBPRGKRZSA-N	304.777	3.559	50	20	DHGD	
CC[C@H](C)C(=O)NNc1ccc(Br)cc1Cl	104122401	QRBUIUKPTGUBKM-ZETCQYMHSA-N	305.603	3.592	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(-c3ccco3)nc2C)c1	109426996	VEODISCGZNPAIZ-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1cc(F)c(C(=O)NNc2cccc3c2CCCC3)cc1F	119998889	IXCZKBTVPKPROM-UHFFFAOYSA-N	316.351	3.909	50	20	DHGD	
O=C(Cc1cccc(F)c1)NNc1c(Cl)cccc1Cl	132801312	HGGPWMMZUPHJDZ-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
C[C@@H](C(=O)NNc1ccncc1Cl)c1ccc(Cl)s1	154893543	WWAZTPKSXDEDLE-SSDOTTSWSA-N	316.213	3.697	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@]23CCCc2ccccc23)cc1	158853677	KRWPEQNJYNUGKW-QUCCMNQESA-N	306.409	3.732	50	20	DHGD	
CCO/C=C(/C#N)C(=O)NCc1ccccc1Oc1ccccc1	159228018	KBUCXWHBOZZNGO-PEZBUJJGSA-N	322.364	3.539	50	20	DHGD	
CC(C)n1cccc1C(=O)NNc1ccc(C(F)(F)F)cc1	162686692	IXDBRSFGIXWVKR-UHFFFAOYSA-N	311.307	3.845	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1cccc2[nH]ccc12	175975286	XPXHKCNAESKTDS-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2cccc3cnccc23)c(C)c1	178511012	HFCLEUKISJXWOS-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cc(O)ccc1Br	178988976	SNNGEJSEUUOKGU-IZZDOVSWSA-N	308.175	3.677	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)[C@H](c1ccccc1)C1CC1	179270153	GZUGVJVHQPFSNW-MRXNPFEDSA-N	320.314	3.741	50	20	DHGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccccn2)C1	181178499	FWXOXMGDGHYHJI-HZPDHXFCSA-N	319.449	3.680	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccccc12)c1cc2ccccc2o1	254447604	SYWJVRFLUWEOAJ-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OCC(F)F)cc1	255549920	LOOGOEAYJZMUSH-UKTHLTGXSA-N	309.312	3.581	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2cc(C3CC3)ccn2)cc1	297455099	QUJUYVSYIGEQJI-UHFFFAOYSA-N	312.373	3.506	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c2c(c1)OCCO2	726430280	XWQRCWXTYFNEJN-OGGBREFQSA-N	305.761	3.633	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1sccc1C	733746442	OSAUQDSZRYLZSM-UHFFFAOYSA-N	304.440	3.761	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1C(F)(F)F)C1CCCC1	749340886	SJVPTLLFNVOKPV-JTQLQIEISA-N	300.324	3.975	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H](C[C@H]2CCOC2)C1	773704065	GLLOMWXFPKKTKS-MFAUDRRCSA-N	314.404	3.829	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCCNc2ccccc21	774385390	OKDGNYREVANXIY-UHFFFAOYSA-N	321.424	3.736	50	20	DHGD	
CC[C@H](C)[C@H](C)NC(=O)NNc1ccccc1OC(F)(F)F	779536086	FCEDMMQNRIOSCT-UWVGGRQHSA-N	319.327	3.646	50	20	DHGD	
CC(C)(C)C1CCC(=CC(=O)NNc2ccnc(F)c2)CC1	781363254	VTIMFYLAVWOGIT-UHFFFAOYSA-N	305.397	3.827	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1Cl	782226086	PRJAQICTSVJRKB-UHFFFAOYSA-N	311.769	3.525	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2sccc2Cl)cc1	782230798	DRXOAGLBZQRVNS-UHFFFAOYSA-N	322.821	3.623	50	20	DHGD	
CCc1ccc(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)cc1	785350354	OOXOHRVGMAUSCY-PDGQHHTCSA-N	319.360	3.582	50	20	DHGD	
C[C@@H]1CC[C@H](C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)C1	800816526	MMNPYWOASCZKAY-UPJWGTAASA-N	308.809	3.646	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCc2cc(F)ccc21	801547238	LCMLRWQBOMDROG-LBPRGKRZSA-N	314.198	3.524	50	20	DHGD	
CCCN(NC(=O)c1cc2c(s1)CCC2)C(=O)OC(C)(C)C	804594199	PDBLCOFRQGXDAM-UHFFFAOYSA-N	324.446	3.529	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(C)cs2)c(C)c1OC	806554024	HSQUGLBAMCHQCG-NTUHNPAUSA-N	300.383	3.841	50	20	DHGD	
Cc1cc(NNC(=O)CCCCCC#N)ccc1Br	806863800	RUMKJODXGVMMRM-UHFFFAOYSA-N	324.222	3.675	50	20	DHGD	
N#Cc1cccc(NNC(=O)c2nc3ccccc3cc2Cl)c1	810680237	JGIXEMSNLASOMR-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(F)c(O)c(F)c1	812770424	PRZZJMSXMGXUFN-UHFFFAOYSA-N	320.339	3.859	50	20	DHGD	
O=C(CCc1ccc(-c2ccccc2)o1)NCC(Cl)Cl	816606056	WVFOMIUHSYNROW-UHFFFAOYSA-N	312.196	3.799	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(OC)cc2Cl)cc1	817890056	QUSDMFHLUGMYGO-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C1(C(F)(F)F)CCCCC1	820681953	FDEZNINXIQQBQD-UHFFFAOYSA-N	304.287	3.782	50	20	DHGD	
C[C@H]1CCC[C@]1(C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	827521933	WPTNJWGUIVTZLK-XPTSAGLGSA-N	311.769	3.518	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1c[nH]c2cccc(Cl)c12	848083762	MYMOPGAIJWFIQR-UHFFFAOYSA-N	319.619	3.626	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	864366123	KSBVDUFBOVHQBW-BJMVGYQFSA-N	312.247	3.746	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cc(F)ccc1F	885143160	WIUZCEOACLEYQT-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)[C@@]2(C)C[C@H]2Br)c1	907018591	NTACIEQULWEITP-PWSUYJOCSA-N	302.599	3.760	50	20	DHGD	
N#CCOc1cccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1	917623174	IUBJLCLZUFZIDP-XNTDXEJSSA-N	306.296	3.518	50	20	DHGD	
N#C/C(=C\c1cccc(F)c1F)c1nc(N)c2ccccc2n1	1322565560	IAMZMFPLYDWWSW-DHZHZOJOSA-N	308.291	3.554	50	20	DHGD	
Cc1ccc(NNC(=O)CSCCC(C)C)cc1Cl	1337779653	IUVQEFATVWKSRY-UHFFFAOYSA-N	300.855	3.871	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2C2CCC2)cc1C(=O)O	1607809131	GPFUBPGRJJTZQM-UHFFFAOYSA-N	324.380	3.718	50	20	DHGD	
O=C(NNc1ccc(-c2ccccc2)nn1)C1CCCCCC1	85654971	QNYJUHVNWXBQML-UHFFFAOYSA-N	310.401	3.557	50	20	DHGD	
CC(C)Oc1ccccc1C(=O)NNc1cccc(Cl)c1	106012246	XEAZVQLHXYHYOE-UHFFFAOYSA-N	304.777	3.884	50	20	DHGD	
Cc1ccc(NNC(=O)c2occc2COc2ccccc2)cc1	121182780	GZMYFYRLAGYBKX-UHFFFAOYSA-N	322.364	3.924	50	20	DHGD	
CCOCCC1(C(=O)NNc2ccc(Cl)c(F)c2)CCC1	129528020	XNRGKLJMMQBZNV-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1csc(C2CC2)n1	175407749	SSLOUDNTEAPPER-UHFFFAOYSA-N	311.769	3.570	50	20	DHGD	
N#C/C(=C\C1=Cc2ccccc2OC1)C(=O)c1ccccc1F	206402659	LJKRBLBNQGLNLP-XNTDXEJSSA-N	305.308	3.934	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccccn2)cc1OC(F)F	211375429	YMAOLTZKTRVVPV-WQLSENKSSA-N	302.280	3.756	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3c(s2)CC[C@H](C)C3)cc1	264163538	TXTCRXNLZGWUEI-NSHDSACASA-N	316.426	3.638	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(OC)cc(OC)cc1OC	284952819	DJDFOCNFDQHGFO-XYOKQWHBSA-N	317.385	3.625	50	20	DHGD	
N#CC1=CCN(Cc2cc(Cl)cc(Cl)c2[N+](=O)[O-])CC1	289336893	IQUHQDYEBRVZFX-UHFFFAOYSA-N	312.156	3.557	50	20	DHGD	
C=C(CBr)CNC1(c2ccc(Cl)cc2)CC1	381603641	OYPFPYDJQCRXKD-UHFFFAOYSA-N	300.627	3.870	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@@H](C)c1ccc(F)c2ccccc12	491011001	NNJNYOTXYFHIEQ-OWRWYXLESA-N	312.344	3.600	50	20	DHGD	
CC(C)(C)c1ccc(/C=C\C(=O)NNc2ccnc(F)c2)cc1	588418685	QPNJYBFGXFVJQG-TWGQIWQCSA-N	313.376	3.675	50	20	DHGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NN(C)c1ccccc1	726981221	OMXZRAJALNDEFP-UHFFFAOYSA-N	323.421	3.900	50	20	DHGD	
Cc1cccc2c1CCC2=NNC(=O)c1cccc2ncccc12	730146624	BSVDSCLPVSVOIM-UHFFFAOYSA-N	315.376	3.624	50	20	DHGD	
CC(C)[C@H](NC(=O)NNc1ccccc1)c1nc2ccccc2[nH]1	734263842	DVJBZJMLLDXBCH-INIZCTEOSA-N	323.400	3.586	50	20	DHGD	
CCn1c2ccccc2c2cc(C=NNC(=O)NC(C)C)ccc21	745012891	PUCYVZARHBEFFL-UHFFFAOYSA-N	322.412	3.856	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1F)[C@@H](C)c1ccccc1	746365998	FSVOXRGBGPEHNB-CYBMUJFWSA-N	313.376	3.533	50	20	DHGD	
CC[C@H](O[C@@H]1CCC[C@@H](C)C1)C(=O)NNc1ccc(OC)cc1	746885584	AGRPNAHANLOGSZ-XYPHTWIQSA-N	320.433	3.512	50	20	DHGD	
CC(C)n1ncc(C(=O)NNc2ccccc2)c1-c1ccccc1	754173639	ILBREYBOGLWDEP-UHFFFAOYSA-N	320.396	3.888	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2c(C)cccc2C)c1C	755553592	USTOIJZOUPYSTO-QGZVFWFLSA-N	324.424	3.838	50	20	DHGD	
CC1(C)CCCCC1=NNC(=O)c1cnn(-c2ccccc2)c1	757574839	MGZXXBKOMGLZFB-UHFFFAOYSA-N	310.401	3.558	50	20	DHGD	
Cc1nc(C)c(COC(=O)[C@@H](Br)C(C)(C)C)s1	766749310	CFOGTVQRWXRLNW-SNVBAGLBSA-N	320.252	3.613	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@H](C)c1cccc(Cl)c1	772876163	HKFKUJRDAUEWJR-LLVKDONJSA-N	318.808	3.500	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(F)ccc2C)cc1	777877303	MCLOZLIZAFBBAK-UHFFFAOYSA-N	316.401	3.685	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC=CCC2)c1C	778987516	YHVPOBFQHHXGOG-QGOAFFKASA-N	311.429	3.601	50	20	DHGD	
CC(C)[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	781795820	XNAILVIDWSLZOQ-BMANGOCTSA-N	300.377	3.627	50	20	DHGD	
CCc1ccc(C(=O)COC(=O)/C(C#N)=C/c2ccccc2)cc1	785350353	OOXOHRVGMAUSCY-LDADJPATSA-N	319.360	3.582	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCCOc1ccc2ccccc2c1	786680207	WDALWVGFXUHTAO-BOPFTXTBSA-N	307.349	3.622	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1csc(Cl)c1	787998873	CKBVBXDQNJRECG-UHFFFAOYSA-N	309.803	3.768	50	20	DHGD	
CSSCCNC(=O)N[C@H]1CCc2c(Cl)cccc21	790687856	AISPQWFMUHJASK-LBPRGKRZSA-N	316.879	3.638	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn2ccccc2n1	794931178	ZDTXAAWZFXTKMJ-UHFFFAOYSA-N	308.385	3.523	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)Nc1ccccc1C	798312936	OPZPFVKGNBVDPD-AWEZNQCLSA-N	305.422	3.754	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)N(C)CC(Cl)Cl)cc2C1	808246953	NJTBPLYGPUSZOZ-MRVPVSSYSA-N	306.258	3.749	50	20	DHGD	
Cc1cc(C2CCN(CCO[Si](C)(C)C(C)(C)C)CC2)n[nH]1	808743129	SXVSYJPPAKTJFB-UHFFFAOYSA-N	323.557	3.919	50	20	DHGD	
C=CCSCCNC(=O)NNc1c(C)cccc1C(C)C	813051973	WVDKMYIZSJZTKY-UHFFFAOYSA-N	307.463	3.664	50	20	DHGD	
Cn1cc(C(=O)NN=C2CC(c3ccccc3)C2)c2ccccc21	814777486	RZCCORYMAOXEAI-UHFFFAOYSA-N	317.392	3.842	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)Nc1cc(F)cc(F)c1	815006589	XVWYSXPGAZDJCH-ZDUSSCGKSA-N	320.343	3.792	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2nc(C(F)(F)F)cs2)CC[C@H]1C	826800425	UWPAHWDOSWYDNQ-VGMNWLOBSA-N	321.368	3.677	50	20	DHGD	
COc1ccc2c(c1)[C@@H](C(=O)NNc1ccc(C)cc1)CCC2	848370837	LAAQLVZDYCWVNV-KRWDZBQOSA-N	310.397	3.567	50	20	DHGD	
COc1cncc(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1	852524194	OYJGNHFLXJHTKW-OAHLLOKOSA-N	322.525	3.686	50	20	DHGD	
O=C(C=C1CCC1)NNc1ccc(Cl)cc1Br	856233167	YMPVTPWNLZENGA-UHFFFAOYSA-N	315.598	3.656	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1cccnc1Cl	857082542	OAJYOEWZIARLJM-MKPLZMMCSA-N	303.631	3.559	50	20	DHGD	
COCc1c(C(=O)NNc2cc(C)ccc2C)oc2ccccc12	857831363	UZCCHISNKVLKPF-UHFFFAOYSA-N	324.380	3.953	50	20	DHGD	
C/C(=C/c1ccco1)C(=O)OC[C@@H](CBr)C1CC1	859736352	YQRKNAHZNRHJFI-MQGYJPLLSA-N	313.191	3.647	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCCC[C@H]2N2CCCCC2)c1	863155693	VOLQRZRAUYHSRL-OAHLLOKOSA-N	319.474	3.571	50	20	DHGD	
C[C@H](CNC(=O)NNc1ccccc1Cl)c1ccccc1	915904487	ZMHSSUUCBSDPGB-GFCCVEGCSA-N	303.793	3.770	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCc2cccc(F)c2)c(C)c1	916201335	KRAORHLPLDJTKD-UHFFFAOYSA-N	315.392	3.620	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)c(Cl)c1	921262195	PGPBABIOZSNKAG-FAJIVVBTSA-N	318.804	3.647	50	20	DHGD	
CCNc1ncc(C(=O)NNc2cc(C)cc(C)c2)cc1Cl	1519817952	QQHSJSDPMRSZDZ-UHFFFAOYSA-N	318.808	3.541	50	20	DHGD	
O=C(NCc1nc2ccccc2s1)C1CCC(Cl)CC1	1520761123	LNTGIFWMQIPDPD-UHFFFAOYSA-N	308.834	3.710	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045349	YMBUWFMXJYYMMF-GFCCVEGCSA-N	319.405	3.955	50	20	DHGD	
C[C@H](SCc1ccccc1)C(=O)NNc1ncccc1Cl	114884785	RDHKNNVNHXCSOG-NSHDSACASA-N	321.833	3.500	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1CC=CCC1	128916197	CUECJJMQLVRTSW-SECBINFHSA-N	302.271	3.644	50	20	DHGD	
O=C(CC1(O)CCCCC1)NNc1ccc(Cl)cc1Cl	151881093	XMJBNNKLDJSWTQ-UHFFFAOYSA-N	317.216	3.522	50	20	DHGD	
O=C(/C=C/c1nc2ccccc2s1)NNc1ccccc1F	153182648	IXOOYVCWYIDJPP-MDZDMXLPSA-N	313.357	3.592	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2c(F)cccc2F)o1	172281892	GDJBSRDJMFOLDA-CSKARUKUSA-N	303.264	3.695	50	20	DHGD	
COc1ccccc1/C=C(/C#N)C(=O)Nc1ccccc1Cl	215873883	YHTQSNNZVBALLY-RAXLEYEMSA-N	312.756	3.894	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc2ccccc2c1O	254518447	HQICXPCWGCVBOY-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(OC)s2)cc1	254965941	ZOCUXGUPUUNBQS-RAXLEYEMSA-N	312.394	3.865	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C/c1ccc(Oc2cnccn2)cc1	255298026	CAXGOGVNPYSCKI-GXDHUFHOSA-N	307.353	3.791	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2cccc(F)c2F)c1C	270168341	JTSXJWDHHUEVFL-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
CC(C)OCCCC(=O)NNc1ccnc2cc(Cl)ccc12	273478655	KRGYETJBGYKVEV-UHFFFAOYSA-N	321.808	3.537	50	20	DHGD	
CCc1oc2ccccc2c1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	280928679	HYTWEMWESQPARX-PCRWRXJSSA-N	309.365	3.898	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1scnc1C)c1ccccc1	490696132	NYJIWYVXDPSQSW-MZLJFPOFSA-N	311.410	3.626	50	20	DHGD	
CCCCCC[C@H](C)CC(=O)NNC(=O)Cc1ccc(F)cc1	727672786	PJONMZOMDLWRJD-AWEZNQCLSA-N	322.424	3.512	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cnn(-c2ccccc2)c1	737431206	DRQCDEVPJOBHAE-OAHLLOKOSA-N	322.412	3.558	50	20	DHGD	
C[C@H](C=NNC(=O)COCc1ccccc1)CCc1ccccc1	749164858	QHYWOPKLDOLAIS-KRWDZBQOSA-N	324.424	3.574	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)c2ccc3ccccc3n2)o1	749454129	WLAIIPYDEXRCDW-RAXLEYEMSA-N	304.305	3.679	50	20	DHGD	
COc1ccccc1CC(C)=NNC(=O)c1cc2ccccc2o1	749825469	CGTDURUQMVAIDI-UHFFFAOYSA-N	322.364	3.790	50	20	DHGD	
CC[C@H]1CCCC1=NNC(=O)c1ccc(OC(C)C)c(OC)c1	758371495	KWBXBOJRMJCDSV-ZDUSSCGKSA-N	318.417	3.778	50	20	DHGD	
CC[C@H]1CCCC1=NNC(=O)c1cccc(Br)c1	758378927	SJYRJEJBEUUJLE-JTQLQIEISA-N	309.207	3.745	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CCC(C2CCCCC2)CC1	766434947	TXJQAHRWJCWSHF-UHFFFAOYSA-N	301.434	3.881	50	20	DHGD	
CC(=O)c1ccc(NC(=O)[C@@H](Br)C(C)(C)C)cc1	767009979	PVJPSYLSEDPVMF-GFCCVEGCSA-N	312.207	3.637	50	20	DHGD	
O=C(NNc1ccccc1[N+](=O)[O-])c1cccc2ccsc12	767249686	RVXZWJFTYZMUCX-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
O=C(COC1CCCC1)NNc1c(Cl)cc(F)cc1Cl	768009605	PUGDHBJDGCNUMC-UHFFFAOYSA-N	321.179	3.535	50	20	DHGD	
Cc1ccc2cccc(C(=O)OC[C@@H](C)CBr)c2n1	770384918	NRTRPVNZUQOABX-JTQLQIEISA-N	322.202	3.731	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2c(C)cccc2F)c1	771706326	HGAZAGNZYRVFRO-UHFFFAOYSA-N	318.417	3.986	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1)c1cccc(Cl)c1F	773455259	MAAAVCSZEZYSLM-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1nc2ccc(OC)cc2cc1C	778479046	QBBWYQCGFACDEW-XFXZXTDPSA-N	313.401	3.741	50	20	DHGD	
C=C(CBr)CN(Cc1ccc(F)cc1)CC1CC1	791461282	RLGQQGMFXCLYLR-UHFFFAOYSA-N	312.226	3.989	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)c1ccccc1	794926236	KEZYRPWHQTWYSN-CXUHLZMHSA-N	305.333	3.792	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C2CCC[C@H]2CCCF)c1	800806504	YZCPCQNTLVFFAS-HNNXBMFYSA-N	320.408	3.704	50	20	DHGD	
O=C(NNc1ncccc1F)c1cc2c(ccc3ccccc32)[nH]1	804214526	YNMHXCSJLXLELQ-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)NNc1cccc(F)n1	804769758	NBJXLXLGYDZRSC-UHFFFAOYSA-N	321.783	3.586	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)c(C)c1OC	806554660	XHAVAHFSHJKUBN-GXDHUFHOSA-N	319.364	3.953	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c(OC)c1C	806573364	IPCFIOKCXVJORE-XBUHWIKASA-N	301.386	3.925	50	20	DHGD	
CCC[C@@H](C(=O)NNc1c(C)cccc1F)c1ccccn1	807263928	WKPOENAJHDBCIH-CYBMUJFWSA-N	301.365	3.556	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(-c2ccccc2F)o1	808245890	HWJSVCVQWJJNMY-UHFFFAOYSA-N	316.159	3.961	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cccc(C2CC2)c1	814808661	DWJJKTXHMZZKAX-UHFFFAOYSA-N	313.788	3.766	50	20	DHGD	
CC1(C#N)CCC(=NNC(=O)c2ccc(Cl)cc2F)CC1	834963741	SFLVGMAVZOYUFC-UHFFFAOYSA-N	307.756	3.669	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CCCOc2cccnc2)cc1	837053339	CJWCEEAUMREINE-UHFFFAOYSA-N	313.401	3.507	50	20	DHGD	
Cc1noc(Cl)c1CCC(=O)NNc1ccc(C(C)C)cc1	837056452	QGXSHHOCJRRKRN-UHFFFAOYSA-N	321.808	3.836	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)C1[C@H]2CCC[C@H]12	846379572	YYMSWWGUILZRCR-IUCAKERBSA-N	318.726	3.848	50	20	DHGD	
C[C@H](COCC1CC1)NC(=O)CCCC[C@H]1CCSS1	846533063	XFIAEJZAILUXMR-OCCSQVGLSA-N	317.520	3.632	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2ncc(F)cn2)C1	853896607	FMXOMXWFIYCTAT-ZDUSSCGKSA-N	311.477	3.606	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)NNc1ccc(Cl)cn1	856093862	RHVQZGSYHVMLLW-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1ccc(Cl)cn1	856094495	KOMSZLGNDAEBDN-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
C[C@]1(CN[C@@H]2CCSc3ccccc32)C[C@H]1Br	857081328	FAXOBRJSODKRSL-MRVWCRGKSA-N	312.276	3.987	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NC[C@@]2(C)C[C@@H]2Br)cc1	857393486	LFCOVNHHUUHHLG-XJKSGUPXSA-N	324.262	3.562	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC(C)(C)CC)c1C	857706671	LOQCHIQVNHNDGP-WJDWOHSUSA-N	301.434	3.727	50	20	DHGD	
O=C(OCC1CCCCC1)Oc1ccc([N+](=O)[O-])c(F)c1F	859176136	NJYBBGTUYBYJTG-UHFFFAOYSA-N	315.272	3.969	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)OC(C)C)cc(C(F)(F)F)c1	863180341	LGTLMDRYTMTABF-NYYWCZLTSA-N	313.275	3.573	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cnn(C4CCC4)c3)[nH]c12	899344676	VKPMIPAVNGCOOE-ZSOIEALJSA-N	303.369	3.857	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccccc1OCc1ccccc1	915977024	NYRWRVDSIDZWQL-OAHLLOKOSA-N	310.397	3.762	50	20	DHGD	
Cc1csc([C@@H](C)NC(=O)NNc2cc(Cl)ccc2C)n1	916493007	HJXVXLGBCKYRBA-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccccc1O	917547164	MEMIHZWIHHHVJT-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
Cc1ccc(NNC(=O)C2Cc3ccccc3C2)cc1Cl	1116788869	TWLDCNAUAYCCRP-UHFFFAOYSA-N	300.789	3.507	50	20	DHGD	
N#C[C@@]1(NC(=O)c2cccc(CCl)c2)CCc2ccccc2C1	1346993838	VHIMGODAYCBDCC-LJQANCHMSA-N	324.811	3.606	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](C2CCOCC2)C1	1347354430	YGILUHPPTJWLHY-QGZVFWFLSA-N	321.848	3.704	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc(C(=O)O)c(F)c2)sc1C	1777489460	TVYOTKRPFYTUBV-WZUFQYTHSA-N	302.330	3.661	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCN(c2cccs2)CC1	121297766	VZXHKCSMCJXRCF-APSNUPSMSA-N	313.401	3.574	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccccc2[N+](=O)[O-])s1	121919003	SNNPCYDFYVIKDX-UHFFFAOYSA-N	319.386	3.711	50	20	DHGD	
CCOc1ccc2cc(C(=O)NNc3ccc(C)cc3)[nH]c2c1	133014168	RMONKQPPFVYYTH-UHFFFAOYSA-N	309.369	3.632	50	20	DHGD	
O=C(NNc1ccccc1F)c1cccc(OC2CCCC2)c1	152993702	OYJGXSWOOXYJSB-UHFFFAOYSA-N	314.360	3.904	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(C#N)cc1)c1ccccc1Cl	155317740	FHMPAPRHXITCBW-UHFFFAOYSA-N	313.788	3.633	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1cccc(Cl)c1F	159729889	MFZLTLUUNCMFOV-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
C[C@@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2cccc(F)c2)cc1	193163460	MYAXWXCNRHCEGQ-WFSQQTBHSA-N	320.323	3.906	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)o1	193742380	YFMPBOURCGYTIU-WYMLVPIESA-N	302.374	3.520	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2nccs2)cc1Cl	193742661	WNZMWIAWLOUQFS-IZZDOVSWSA-N	303.774	3.651	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cccc(F)c1F	209916493	XFRJTCNUQNKYMG-FMIVXFBMSA-N	314.291	3.519	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1ccc(OC(C)C)c(OC)c1	212023238	GMNDZIDYFRLPEN-GDNBJRDFSA-N	317.385	3.733	50	20	DHGD	
Cc1nc(NC(=O)NNc2ccc(C(C)(C)C)cc2)oc1C	272573299	ORKOASTYCXGWOQ-UHFFFAOYSA-N	302.378	3.738	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cnc2ccc(Cl)cn12	280035457	LPDVYVRPKIAIMX-YRNVUSSQSA-N	301.777	3.900	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CC2(CCC2)[C@H]1C1CC1	292146584	UULWIQALQMRMFK-IUYQLWOBSA-N	310.372	3.524	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(F)c(F)c1)c1ccccc1	731932074	YADWHZBWLQOYQO-CQSZACIVSA-N	302.324	3.609	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2C[C@@H](C)C[C@@H](C)C2)o1	747754214	RGCUKJJXLWULIQ-OKILXGFUSA-N	319.449	3.663	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@@]12CCCc1ccccc12	748551185	AUOFCFSAMSABCQ-YLJYHZDGSA-N	324.399	3.871	50	20	DHGD	
Cc1ccc(OCCC(=O)NNc2ccc(F)cc2C)c(C)c1	748563600	TYIGVLLYIBZLBQ-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccc(Cl)cc1	749273088	AESHCOZNIFPOGY-MRXNPFEDSA-N	318.804	3.949	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCCC2(C)C)cc1OC	749853742	ACTVEYUTYQFTLS-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)cc2C)n1	750900198	KHCAXVAHLKXIJQ-KPKJPENVSA-N	316.357	3.832	50	20	DHGD	
CCC(=NNC(=O)CNc1ccccc1OC)C1CCCCC1	750918471	LBMOARWZFULNQZ-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2ccc(-c3ccccc3)nn2)C1	754467531	OEGXJLBNNNDJNV-CABCVRRESA-N	324.428	3.803	50	20	DHGD	
CCCCC=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	755533525	QPMIHPGEUXMXPM-UHFFFAOYSA-N	323.611	3.530	50	20	DHGD	
O=C(C[C@H]1CCCCO1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421312	IDKKXBIBMBBSKQ-GFCCVEGCSA-N	315.325	3.613	50	20	DHGD	
CCCc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)OC)co2)cc1	763173730	BTQWIUIVYCZQMM-DHDCSXOGSA-N	323.348	3.809	50	20	DHGD	
C[C@@H]1CC(C)(C)CC1=NNC(=O)c1cccc(Br)c1	766024927	DQOBZNKJQUODGT-SNVBAGLBSA-N	323.234	3.991	50	20	DHGD	
CCC[C@@H](C=NNC(=O)Cc1nc(C)cs1)c1ccccc1	769570430	QUGPLIZOAVNCJE-HNNXBMFYSA-N	315.442	3.680	50	20	DHGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)c1c[nH]c2ccccc12	769765243	VGLHIPCRNPVEIP-CQSZACIVSA-N	303.365	3.831	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ncc(Cl)cc1Cl	775273036	COCPYLRPEXJAQQ-LPEHRKFASA-N	314.216	3.658	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2ccnc3cc(Cl)ccc23)C1	776456776	QYCQFIDKJUBPDG-MNOVXSKESA-N	303.793	3.768	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1F)C(=O)c1ccsc1	777872855	ZIKVFAQKWBQBFK-WZUFQYTHSA-N	302.286	3.585	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C1(C)CCCCCC1)c1ccccc1	781161025	LLNKQTRDAOZGPF-MRXNPFEDSA-N	316.445	3.688	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)o1	785359540	UTUIUHAGIHFQRU-OZBKELIJSA-N	324.355	3.765	50	20	DHGD	
Cc1cccnc1NNC(=O)C[C@@H](C)c1c[nH]c2ccccc12	787578993	ZLYDSMHDCVRQGR-CYBMUJFWSA-N	308.385	3.508	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC3(C)C)n[nH]2)c1	789038325	PCKDJXUMNMUGIB-UHFFFAOYSA-N	310.401	3.599	50	20	DHGD	
CCn1nc(C)c(/C=C(/C#N)c2cnc3ccccc3n2)c1C	790230455	ACCUMJIAEIBLLL-ZROIWOOFSA-N	303.369	3.527	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cccc(C(F)(F)F)c1	792198837	OFBUEXDTNCMYJD-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H](F)CC1CCCCC1	793706973	QFBWXBHGNAYIOU-CYBMUJFWSA-N	300.324	3.716	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(OC)c1	794951015	CGBWXLYZFIGDBA-NTEUORMPSA-N	323.396	3.998	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2cccc(F)c2)CCC1	808248626	OWSYBKSMZBCJRJ-UHFFFAOYSA-N	304.192	3.510	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)cc1C	809147159	XZQKIAVRLRLIMM-OVCLIPMQSA-N	322.320	3.707	50	20	DHGD	
ClCCCOc1ccc(CNCCOc2ccccc2)cc1	811471530	FPZFFFCPWXASBV-UHFFFAOYSA-N	319.832	3.863	50	20	DHGD	
O=C(NN=Cc1cscc1C(F)(F)F)NC1CCCCC1	811630506	LIXKCMLCXGLOPP-UHFFFAOYSA-N	319.352	3.733	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2ccc(C3CCC3)cc2)cc1	814712226	NWMBOOXEZZLEJB-UHFFFAOYSA-N	321.424	3.825	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	815855150	HADUUDQSAVESIR-UHFFFAOYSA-N	311.307	3.622	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC[C@@H]2CCO[C@H](C)C2)cc1	838545997	LZBRNZQUQWCNJZ-HUUCEWRRSA-N	319.449	3.641	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc2c(c1)CC(C)(C)O2	843832787	IGWRDALJPZBRQK-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
Cc1nccn1CCN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844335683	INGJFZRAHCBXKX-INIZCTEOSA-N	323.557	3.678	50	20	DHGD	
CCC[C@H](NC(=O)NNc1ccc(C)c(F)c1)c1ccccn1	853678920	QRMSJTGZHWNTCK-INIZCTEOSA-N	316.380	3.697	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccccc1N(C)C	857083513	XYQQWTPHLNKJRU-CQDKDKBSSA-N	311.267	3.577	50	20	DHGD	
CCC[C@@H](C(=O)NNc1ccc(Cl)cc1F)c1ccccn1	885106937	NNBXEPDPAHKOJN-GFCCVEGCSA-N	321.783	3.901	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(F)ccc2F)c(C)n1C(C)C	885146318	SWZUFTJMDHDFOT-UHFFFAOYSA-N	307.344	3.721	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1ccc(CSC(F)F)o1	916361325	YELHTWXVFFZLFU-UHFFFAOYSA-N	324.352	3.808	50	20	DHGD	
CC(CCc1ccc(F)cc1)=NNC(=O)c1ccc(Cl)nc1	917545363	SWSSSZWDNGSXPJ-UHFFFAOYSA-N	319.767	3.613	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccc(C(C)C)cc2)c1	921194376	CNWPAKAFXCOXEX-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCc1ccc(CN2CC[C@H]2CO)cc1	934015396	XMXARDTUUCBYGT-KRWDZBQOSA-N	321.537	3.775	50	20	DHGD	
Cc1cc(OCc2cccc(C#N)c2)ccc1NC(=O)CCl	1116433723	CYZKNOZFOWKWKH-UHFFFAOYSA-N	314.772	3.623	50	20	DHGD	
COc1cc(NNC(=O)CC(C2CC2)C2CC2)ccc1Cl	1116862463	RDOSEALJHFPGOP-UHFFFAOYSA-N	308.809	3.618	50	20	DHGD	
CC1(N2CCCC2)CCN(C(=O)c2cccc(CCl)c2)CC1	1120680486	ZWZUEQKFTDKDIR-UHFFFAOYSA-N	320.864	3.516	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)[C@H](C)CC1CCCCC1	1137817974	QDDXWMGYAGHMTD-CYBMUJFWSA-N	318.417	3.523	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)c(F)c1F)C1CCCC1	152660486	PEUABRXUYJCATP-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
CC(=O)CCCCCCC(=O)NNc1ccnc2ccccc12	153385426	CVGAHUWDPZJUFT-UHFFFAOYSA-N	313.401	3.608	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1c(C)nc2sc(C)cn12	172692726	VYCCGKUQCXBIEY-JLATVTFTSA-N	301.415	3.925	50	20	DHGD	
O=C(NNc1ccncc1)Nc1cccc(SC(F)F)c1	183079537	JMBNJGRKWFWLHL-UHFFFAOYSA-N	310.329	3.545	50	20	DHGD	
Cc1ccccc1NNC(=O)[C@@H](C)Oc1cccc(Cl)c1	192734404	MFDMELBPJVMJMJ-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1C	194390425	KZOACODEAKYAJN-UHFFFAOYSA-N	320.751	3.747	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1c[nH]nc1-c1ccc(C)cc1	222048212	FWVJBEPAKKLKFZ-GDNBJRDFSA-N	309.369	3.635	50	20	DHGD	
Cc1cccc(-n2c(C)cc(C(=O)N3CC=C(C#N)CC3)c2C)c1	270881228	ALLIHYUPQRZNCP-UHFFFAOYSA-N	319.408	3.698	50	20	DHGD	
CC(C)[C@H]1C[C@@H](CC(=O)NNc2cccc(Cl)c2)CCO1	272990779	MRPBSOSRKYOWAO-SWLSCSKDSA-N	310.825	3.624	50	20	DHGD	
CC1=CC(=NNC(=O)[C@H](C)Oc2cccc(C)c2C)CCC1	727257075	TWDQXMRKHQUGON-HNNXBMFYSA-N	300.402	3.673	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(N(C)C)c(F)c2)cc1	727654160	IAIVLIMTKXGOCR-XNTDXEJSSA-N	323.371	3.746	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(O[C@@H](C)C#N)cc1	728700796	XEHZTPRTOVYELB-ZENNRRHLSA-N	306.321	3.669	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2c(F)cccc2F)c(C)c1	735696403	RNDFUZWJTGXYSJ-UHFFFAOYSA-N	322.380	3.817	50	20	DHGD	
CCOc1ccc(Cl)cc1C(C)=NNC(=O)c1ccccc1	735970874	KHNPDOKRRKNJFD-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
CCC(COC)=NNC(=O)Nc1ccc(-c2ccccc2)cc1	741765681	JVEHQJJPTGSVTB-UHFFFAOYSA-N	311.385	3.888	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccccc2F)o1	748056150	BCCMLSDTTDJGBF-DGCLKSJQSA-N	302.349	3.618	50	20	DHGD	
Cc1cc(C)cc(OCCC(=O)NNc2cc(C)ccc2C)c1	748394913	JCYOASNJRYIMOZ-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2c(C)cccc2C)cc1	755567513	YSUAMOWUGWBTBD-UHFFFAOYSA-N	312.438	3.854	50	20	DHGD	
CC(CC1CCC1)=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1	758372116	HUUDIMGUTQAIPM-UHFFFAOYSA-N	310.401	3.681	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1OC(F)F)c1ccncn1	758913656	RXPKUKWVOPHTCG-YHYXMXQVSA-N	307.687	3.796	50	20	DHGD	
Cc1csc(CCC(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)n1	766387077	GWIQFFXCPDWXPM-UHFFFAOYSA-N	320.370	3.515	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1[N+](=O)[O-])C1CCCCC1	766755980	QKQVTOVRPPQCHH-UHFFFAOYSA-N	305.378	3.644	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2c(C)cccc2F)cc1	771696790	AIFVAGMRRQPVDZ-ZDUSSCGKSA-N	300.377	3.943	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CC3(CCC3)C2)c1C	772839578	WCJILVKEEVFZAM-AWEZNQCLSA-N	300.402	3.507	50	20	DHGD	
Cc1ccc(-c2ncc(C(=O)N3CC=C(C#N)CC3)s2)c(C)c1	780687188	NKOHNCGCNMUOPU-UHFFFAOYSA-N	323.421	3.723	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C1CCC[C@H](C)[C@H]1C	781124146	XLYRESSFYQXZIH-WDEREUQCSA-N	308.809	3.891	50	20	DHGD	
CO[C@@]1(C(F)(F)F)CCCN(/C(=C\C#N)c2ccccc2)C1	781984715	JXRSZTAUQUIGRQ-OWTLUSIOSA-N	310.319	3.594	50	20	DHGD	
COC(=O)c1occc1/C=C(\C#N)C(=O)c1ccc(Cl)s1	783687137	GNEUMUMMRHHPMP-RMKNXTFCSA-N	321.741	3.571	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)Cc1cc(C)cc(C)c1	790753686	NFQMDVNMPJQKOT-CYBMUJFWSA-N	312.504	3.545	50	20	DHGD	
C=C[C@@](C)(CCOC)C(=O)NNc1cc(Cl)cc(Cl)c1	791739054	DTOAPJLWYQQJGT-AWEZNQCLSA-N	317.216	3.665	50	20	DHGD	
CSC1(C=NNC(=O)c2ccc(Cl)cc2Cl)CCC1	800807928	CXFKQCLOXYUMFO-UHFFFAOYSA-N	317.241	3.995	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])c(O)c2)cc1C	809146614	QWKWLNSRBDMILO-OVCLIPMQSA-N	322.320	3.707	50	20	DHGD	
CC[C@H](C)[C@@](C)(O)CNCc1ccc(OCCCCl)cc1	811480145	QQDZTAGYSGHHLO-YOEHRIQHSA-N	313.869	3.581	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1nccc2ccccc12	811630014	PVWYWWWSAOSVMV-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CCC(=NNC(=O)CCSc1ccc(F)cc1)c1ccco1	814754148	LJYAQSRYJAUAFQ-UHFFFAOYSA-N	320.389	3.831	50	20	DHGD	
CC(C)CCC=NNC(=O)c1cc(F)ccc1Br	814835974	FNEXUKZEAWARJQ-UHFFFAOYSA-N	315.186	3.740	50	20	DHGD	
CCOc1ccc(NNC(=O)CSc2ccc(C)cc2)cc1	817912049	YXFKENZEISXETN-UHFFFAOYSA-N	316.426	3.629	50	20	DHGD	
Cc1cc(N2CCCCCC2)ccc1NC(=O)NN(C)C1CC1	824337367	HJUGSFJUGVJFOB-UHFFFAOYSA-N	316.449	3.506	50	20	DHGD	
COc1cc(NNC(=O)[C@H]2CCCCC2(F)F)ccc1Cl	830804274	YRQCTUIGCUKLPE-SNVBAGLBSA-N	318.751	3.617	50	20	DHGD	
CCNc1nc(C)c(C(=O)NNc2c(C)cccc2Cl)s1	839785938	RWDRIQLLQVKWAP-UHFFFAOYSA-N	324.837	3.602	50	20	DHGD	
CSSCCNC(=O)NCc1cc2cc(C)ccc2o1	852314303	GDALCXGJFSKLFD-UHFFFAOYSA-N	310.444	3.552	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)NCC1CCC(F)(F)CC1	854041036	YNCXHRVYDCYKMM-UHFFFAOYSA-N	315.339	3.586	50	20	DHGD	
C#CCCCCCC(=O)OC[C@@H](CBr)C1CC1	859629853	LHRBETHWBIJXNT-CYBMUJFWSA-N	301.224	3.534	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2ccc(C(=O)O)nc2)s1	899371087	NCSFUTLVVJJNSN-IZZDOVSWSA-N	313.382	3.598	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3cccs3)cc2C1	916356849	NIUQDQWPPBQCAC-SNVBAGLBSA-N	304.440	3.698	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)c3ccc(Cl)cc3)c[nH]c2c1	917530899	IIDXFHYJFODYBM-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
Cc1cccc(CNC(=O)NNc2ccccc2C(F)(F)F)c1	918204151	UHHNWMMSIYCVKK-UHFFFAOYSA-N	323.318	3.840	50	20	DHGD	
CC1(C)CCC(C)(C)c2cc(C(=O)NNc3ccncn3)ccc21	1261268414	OHVCCEXFFCITAQ-UHFFFAOYSA-N	324.428	3.583	50	20	DHGD	
C[C@@H](C(=O)NN=C(c1ccccc1)c1ccccc1)n1cccc1	1319699332	ZMDWYROLRHPFIO-INIZCTEOSA-N	317.392	3.618	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cncn1-c1ccccc1	1323513645	ZLRBACORTJQZTO-CQSZACIVSA-N	312.417	3.804	50	20	DHGD	
COc1ccccc1CN(C(=O)C1CCC(Cl)CC1)C1CC1	1346201230	XQKQRENMLZILDP-UHFFFAOYSA-N	321.848	3.984	50	20	DHGD	
CCN(Cc1ccc2c(c1)OCO2)C(=O)C1CCC(Cl)CC1	1346257451	ZBYGBZDRDKMRHM-UHFFFAOYSA-N	323.820	3.561	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1Cc2ccc([N+](=O)[O-])cc2C1	1346939928	TYHKOLWIQJYCSX-UHFFFAOYSA-N	322.481	3.932	50	20	DHGD	
Cc1nc(Cc2ccccc2)sc1C(=O)NNc1ccccc1	111552870	ARMOPDSDILPHCU-UHFFFAOYSA-N	323.421	3.799	50	20	DHGD	
Cc1nc(C)c([C@@H](C)N(C)C[C@@H](C)CBr)s1	133762072	ZEACOKHONGNOAM-WCBMZHEXSA-N	305.285	3.784	50	20	DHGD	
O=S(=O)(CCCCCl)N1CCCCC[C@@H]1c1ccco1	154281692	OQWUAGIHAARYKT-CYBMUJFWSA-N	319.854	3.546	50	20	DHGD	
CCCCNc1ccccc1C(=O)NNc1ncccc1Cl	159157211	BMDWDOBXJNBIQB-UHFFFAOYSA-N	318.808	3.704	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3ccc(F)cc3C)c[nH]c2c1	161049016	PSZGZXZXYYNBIJ-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
Cc1cnccc1CNC(=O)CCCC[C@H]1CCSS1	188856734	BFLRBVBPKGVUOL-AWEZNQCLSA-N	310.488	3.720	50	20	DHGD	
O=C(Cc1cccc(Cl)c1Cl)NNc1ccccc1F	194386929	XFPLWQXRENSIPZ-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1ccc(Cl)cc1	252599898	DMJFWHWRDKUWNG-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cnc(C2CCC2)s1	490726108	NYQZWKNFIHCTTB-LCYFTJDESA-N	303.431	3.624	50	20	DHGD	
O=C(NCc1coc2ccccc12)NNc1ccccc1Cl	734072167	RZSWZZXDCMGTKD-UHFFFAOYSA-N	315.760	3.913	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1OC	735617213	VHTYPTYQOOAZRU-NTEUORMPSA-N	319.364	3.953	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCCNc1ccccc1	736184116	OZQKBUGNXFQXPA-HNNXBMFYSA-N	324.515	3.929	50	20	DHGD	
CC(=NNC(=O)c1cccc(Br)c1)C1CCCC1	741770713	VAONKWWANHATMP-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C(F)=C1CCCC1	748660422	HSGHTPIRSUNIFS-UHFFFAOYSA-N	300.280	3.529	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2cc(C)c(OC(F)F)c(C)c2)o1	752173992	CXJRBIPOCMXJFK-UHFFFAOYSA-N	322.311	3.570	50	20	DHGD	
CC(C)Cc1ccc(C=NNC(=O)c2ccc(C#N)cc2)cc1	755890027	NOARPEFHONPZIA-UHFFFAOYSA-N	305.381	3.521	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1c(Cl)oc2ccccc12	761176054	HXLBWKYKJFBJIH-YRNVUSSQSA-N	302.761	3.765	50	20	DHGD	
O=C(NN=C1CCC(C(F)(F)F)CC1)c1ccccc1F	766008851	IXRMQGFWIMLHAE-UHFFFAOYSA-N	302.271	3.664	50	20	DHGD	
CSc1ccccc1CC(=O)OC[C@H](C)CBr	770417579	BKAXEGVKSXCDSN-SNVBAGLBSA-N	317.248	3.525	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2ccc(C)cc2C)c1	770983188	LDQBJLBJGVOEGX-ZDLGFXPLSA-N	321.376	3.962	50	20	DHGD	
CCCC1(C(=O)NNc2ncc(Cl)cc2Cl)CCC1	775264446	CGKKEMXEDPNHPF-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
Cc1ccccc1NC(=O)NNc1ccccc1Br	775372870	AIRLKJSMVBZQSZ-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1cccc(C(=O)OC)c1	780789608	INKWWZOXAHHMMW-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
Cc1ccc(SCC(=O)NN=Cc2cc(Cl)cs2)cc1	782166085	HMUFGPKVEKNSED-UHFFFAOYSA-N	324.858	3.952	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1c(C)nc2ccccn12	788952072	QFJPOLFYKSZQKW-UHFFFAOYSA-N	312.417	3.885	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccsc2Cl)cc1	790101094	UJTZDXFYMYPKHD-ZSOIEALJSA-N	316.813	3.933	50	20	DHGD	
CC[C@@H](C)CC(=O)NNC(=S)Nc1ccccc1C(C)C	791120255	FFPWXLVWFNBELM-GFCCVEGCSA-N	307.463	3.564	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)[C@H]1CCCOC1	794883374	LAJQJKXCHPNPCT-LKJZUNMESA-N	315.316	3.670	50	20	DHGD	
Cc1cc2cc(/C=C(/C#N)C(=O)[C@H]3CCCOC3)oc2cc1C	794884447	PJTVZOBQSAPHTD-CIKBWMHTSA-N	309.365	3.952	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H]1C[C@@H]1c1sccc1C	795562048	NCNFVKBEHOHJMC-WDEREUQCSA-N	315.232	3.654	50	20	DHGD	
C[C@H](NCc1ccc(OCCCCl)cc1)C1CCOCC1	798187873	ULBOONLHVDNANP-AWEZNQCLSA-N	311.853	3.599	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCC1CCC(F)(F)CC1	800741869	HAODCAPGYWILAK-UHFFFAOYSA-N	315.339	3.586	50	20	DHGD	
CSC1(C=NNC(=O)c2c(Cl)cccc2Cl)CC1	800812079	UPIBGJVMEVKHHR-UHFFFAOYSA-N	303.214	3.605	50	20	DHGD	
CCc1cc(NC(=O)c2c(C)nn(CCCl)c2C)ccc1F	804267371	OJHACVNLKYADCN-UHFFFAOYSA-N	323.799	3.693	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1C	806554383	RRICDGUYUPFNED-GDNBJRDFSA-N	301.386	3.925	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CC[C@@H](Oc2ccncc2)C1	808754543	SYFPIYCCBCQTAB-MRXNPFEDSA-N	322.525	3.557	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1snnc1C1CC1	812770622	WCXVUUNQKSOWMC-UHFFFAOYSA-N	316.430	3.604	50	20	DHGD	
Cc1ccc(C(=O)NNc2cc(F)c(F)cc2F)c(C(C)C)n1	827526252	MWZVHTUHVZWWCS-UHFFFAOYSA-N	323.318	3.688	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@]2(C)CC2(Cl)Cl)cc1	832861773	GVTCLYURWFOPPI-CYBMUJFWSA-N	317.216	3.502	50	20	DHGD	
O=C(NN=C1CCOC2(CCC2)C1)c1ccc2ccccc2c1	834942217	MUNLDUIOOOQTRU-UHFFFAOYSA-N	308.381	3.659	50	20	DHGD	
Cc1cnc([C@H](C)NC(=O)NNc2c(C)cccc2Cl)s1	838507554	LWRAWTCIVGFZCB-JTQLQIEISA-N	324.837	3.801	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCn1cccc(C(F)(F)F)c1=O	840185581	GYBAWBIEZYLPAA-UHFFFAOYSA-N	321.415	3.889	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ncnc(Cl)c2C(C)C)CC1	843905638	JMIGUCMIWOIYIH-LBPRGKRZSA-N	322.840	3.833	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2cncc(F)c2)C1	852524906	PNNYTOXKDDDOFN-HNNXBMFYSA-N	310.489	3.817	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)CCc1ccc([C@@H]2C[C@@H]2C)o1	855365972	YEBRLVFHRBUNCM-SWLSCSKDSA-N	316.376	3.926	50	20	DHGD	
CCCc1cc(C(=O)NNc2ccc(Cl)cn2)sc1C	856094966	BQMWRXGILKATGW-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
COc1ccsc1[C@H](C)NC[C@]1(C)C[C@H]1Br	857082062	KZFOIWRQPVNWST-XRNSZHNASA-N	304.253	3.581	50	20	DHGD	
CC(C)c1nocc1C(=O)NNc1cccc(C(F)(F)F)c1	860312569	ROCQBKAELWBWBL-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CN(NC(=O)c1ccc(Oc2ccccc2)nc1)c1ccccc1	916147089	ZORNBXVTKKQDMI-UHFFFAOYSA-N	319.364	3.655	50	20	DHGD	
CCCCC(C)=NNC(=O)c1ccc(OCCC)c(OC)c1	916348968	SALHGGNCEGQQFY-UHFFFAOYSA-N	306.406	3.780	50	20	DHGD	
C[C@H](CNC(=O)NN(Cc1ccccc1)c1ccccc1)C1CC1	920055066	XJWPSMJRUVGGGO-MRXNPFEDSA-N	323.440	3.954	50	20	DHGD	
CC(C)(C)c1n[nH]cc1/C=C(\C#N)c1nc(-c2ccccc2)no1	920063861	IOIUMHMCWXOGLW-UKTHLTGXSA-N	319.368	3.821	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(CC)c(CC)c2)cc1	1261249004	BVEXDDUSEJEYGF-UHFFFAOYSA-N	312.413	3.967	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(C)c(Cl)c2)CCO1	1319988090	USOKKSNCDYNIDE-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
CCOc1ccccc1CN(C)C(=O)C1CCC(Cl)CC1	1548627786	DXKLJBLXXKCHKS-UHFFFAOYSA-N	309.837	3.841	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1)C(=O)c1c[nH]c2cc(F)ccc12	44027054	SRJWAEPLCZIMMB-VGOFMYFVSA-N	315.307	3.969	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1cc(F)cc(Cl)c1	92929712	HPPBRZRGAVLTKP-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
N#CC(C#N)=CNc1ccc(-c2nc3cc(F)ccc3[nH]2)cc1	106006392	XZRLMSFFNKRAAH-UHFFFAOYSA-N	303.300	3.712	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc(F)c(F)cc1F)C1CCCCC1	128796627	KCTKYELPETUGIX-KPKJPENVSA-N	322.330	3.802	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(Cc2ccccc2)CCC1	136905532	AJCZZLQEQOIUOH-UHFFFAOYSA-N	316.351	3.821	50	20	DHGD	
C[C@H]1CCc2nc(NC(=O)NNc3ccc(F)cc3)sc2C1	146222159	SKTAZPIJJWGALM-VIFPVBQESA-N	320.393	3.556	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H](CC1CCCC1)c1ccccc1	154248670	RRZHJYDRGHMVBH-DNKLCNGGSA-N	312.413	3.868	50	20	DHGD	
CCO[C@@]1(CI)[C@H]2CC[C@@H](C2)C1(C)C	157944389	UVCBWLLZHQLAAD-NHCYSSNCSA-N	308.203	3.653	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2coc3ccccc23)cc1	160205608	CBAGMXCDRQNALD-JLHYYAGUSA-N	318.332	3.987	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCc2ccc(C#N)cc2)cc1	181467235	FWBGCYNQQWDQNH-UHFFFAOYSA-N	322.412	3.682	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cc(C)ccc1C	181481721	VUIGYYBOUUQMRT-UHFFFAOYSA-N	314.433	3.926	50	20	DHGD	
C[C@@H](Br)c1nc2cc3ccccc3cc2c(=O)[nH]1	184760527	NPKGQMPRDFTBTB-MRVPVSSYSA-N	303.159	3.532	50	20	DHGD	
C[C@@H](CBr)CN1CCC[C@@H](Nc2ccccc2)C1	248779532	WPMJTEHMQHNUIB-DZGCQCFKSA-N	311.267	3.594	50	20	DHGD	
O=C(/C=C\SCc1ccco1)NNc1ccccc1Cl	255574992	FFKDOHPRUZQXOG-CLFYSBASSA-N	308.790	3.823	50	20	DHGD	
CCc1cnc(CNC(=O)CCCC[C@H]2CCSS2)o1	274544562	GDTCKDBLYMZGGX-LBPRGKRZSA-N	314.476	3.567	50	20	DHGD	
COc1ccc2ccccc2c1/C=C(\C#N)C(=O)[C@@H]1CCCOC1	280990069	MRHZKMLCLRDPNF-YLQKULKDSA-N	321.376	3.751	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccc(F)c(F)c2)s1	490690802	DPZVPIZVYQESRV-KPKJPENVSA-N	318.348	3.558	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1nc2ccc(F)cc2s1	490980018	ZRJYBAYZGPQCII-FLIBITNWSA-N	317.389	3.649	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1nc(-c2ccccc2)cs1	495597163	MGMVWMLSTYISQV-UHFFFAOYSA-N	303.387	3.669	50	20	DHGD	
CC(C)n1cc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cn1	588597171	AENUHHGGRAYIMB-DXNYSGJVSA-N	301.296	3.532	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1cc(-c2ccccc2)[nH]n1	737416790	FUNCFAVQVPHJHC-HNNXBMFYSA-N	322.412	3.763	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1nccc2ccccc12	740764579	YSTBQXJMLCWWJQ-AWWQTPIYSA-N	319.408	3.837	50	20	DHGD	
O=C(NCc1ccco1)NN=C1CCC[C@@H]1c1ccc(F)cc1	741163221	QKULMSAVLJNMKK-OAHLLOKOSA-N	315.348	3.542	50	20	DHGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	745887711	DEOCRSBWDYTBLJ-WDEREUQCSA-N	315.364	3.739	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cc(-c3ccc(C)o3)[nH]n2)c(C)c1	747518133	ZRIDSTZAHWZVTK-UHFFFAOYSA-N	324.384	3.660	50	20	DHGD	
Cc1ccc(SCC(=O)NNc2ccc(F)cc2C)c(C)c1	748563444	XIHQOMPDAHETNU-UHFFFAOYSA-N	318.417	3.986	50	20	DHGD	
Cc1ccccc1N1CCN(/C(=C\C#N)c2ccccc2)CC1	750790560	BEWNMADENGGAKZ-JAIQZWGSSA-N	303.409	3.682	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C[C@@H]1C=CCC1	753172625	DDBXKMOYXRGSPC-LLVKDONJSA-N	323.234	3.811	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cc(F)cc(F)c1)c1ccccc1	755726552	NHPSIPOBCLSGSG-INIZCTEOSA-N	302.324	3.609	50	20	DHGD	
Cc1cccc(OCC(=O)NN=Cc2c(C)oc3ccccc23)c1	758090890	MHJWGXZAWMEJFA-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1cnnc2ccccc12	758161433	FKCLPZPZHAGPAJ-GFCCVEGCSA-N	300.406	3.535	50	20	DHGD	
COc1cccc2c1CCC2=NNC(=O)c1cc2ccccc2o1	759666103	LVBZCGDYJMHIBZ-UHFFFAOYSA-N	320.348	3.522	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cnc(Cl)c(C)c1)c1ccccc1	760258745	MKQTXUPTYIXVBY-OAHLLOKOSA-N	315.804	3.687	50	20	DHGD	
CS[C@H](CNC(=O)[C@H](Br)C(C)(C)C)C(C)(C)C	768448275	LAHORWOSICJNHT-ZJUUUORDSA-N	324.328	3.690	50	20	DHGD	
CCC[C@H]1CCCCN1C(=O)[C@@H](Br)C(C)(C)C	768448334	HHFORDKNMBREDK-NWDGAFQWSA-N	304.272	3.977	50	20	DHGD	
Cc1ccc2[nH]c3c(c2c1)CN(C[C@@H](C)CBr)CC3	770667144	OBJLSORNKLLNFF-LBPRGKRZSA-N	321.262	3.865	50	20	DHGD	
COC(=O)c1coc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)c1	774131415	RRRRBOSRXKZKCC-XBXARRHUSA-N	321.741	3.571	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	780513112	WMCSNFKGKDECHR-NXEZZACHSA-N	322.796	3.515	50	20	DHGD	
CN(Cc1ccccc1F)C(=O)[C@@H](Br)C(C)(C)C	781080028	SJHYXWKQJTZLDS-GFCCVEGCSA-N	316.214	3.594	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CC[C@H](C)C2)[C@]1(C)CCCO1	782168433	DXEIOBVLNLXUAR-GTNSWQLSSA-N	320.458	3.548	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc(C)c3ncccc3c2)cc1	783813007	WZZRHJQLAQMTIV-UHFFFAOYSA-N	317.392	3.870	50	20	DHGD	
COc1ccc(-c2ccc(NC=C(C#N)C#N)nc2)cc1Cl	794848542	QHAVOADUOQZROC-UHFFFAOYSA-N	310.744	3.754	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	800491906	WYYSRWAYZHDBJO-JTQLQIEISA-N	322.796	3.659	50	20	DHGD	
CCCC(CCC)C(=O)NNC(=O)Nc1ccc(Cl)cc1	802018958	UACKIVOQFWSONG-UHFFFAOYSA-N	311.813	3.709	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@H]2CCCC[C@H]21	806970004	CBUVGYMCBFBVIG-MRVWCRGKSA-N	307.825	3.785	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cncc(-c2ccccc2)c1	808248388	JAFPLNCLYMBVCY-UHFFFAOYSA-N	309.196	3.624	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCc1ccc(C#N)cc1	813034920	CYVSTRXQAWKKQJ-UHFFFAOYSA-N	322.412	3.816	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cc(N)ccc1F	814854294	HVHYRDXGUPPOQP-UHFFFAOYSA-N	321.355	3.715	50	20	DHGD	
COCC(=NNC(=O)Nc1ccc(Cl)cc1Cl)C1CC1	814995822	GPTVLESVCMKTGS-UHFFFAOYSA-N	316.188	3.527	50	20	DHGD	
O=C(NN=C1CCc2ccccc2CC1)c1cc2c(s1)CCC2	834926450	NALWOZNVGSFYGJ-UHFFFAOYSA-N	324.449	3.902	50	20	DHGD	
C[C@]1(CNCc2coc(-c3ccccc3)n2)C[C@H]1Br	856806909	IWKQGPXJDZUVNS-UKRRQHHQSA-N	321.218	3.605	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)NC[C@@]1(C)C[C@H]1Br	856808582	APJGLKIADOCNOL-LERXQTSPSA-N	300.215	3.520	50	20	DHGD	
Cc1cccc(NNC(=O)c2cn(CC(C)C)c3ccccc23)n1	862523802	NZVZIPNLILTANC-UHFFFAOYSA-N	322.412	3.758	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N2CCCCC2)c1C	865247074	PEGPBSWZXLSGRH-QGOAFFKASA-N	313.445	3.825	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccc(F)cc1C(F)(F)F	878587185	LFUZUMUAIVFNIQ-UHFFFAOYSA-N	319.085	3.770	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H](c1ccncc1)C1CC1	899019660	LKXXFWQPPMVVIS-HNNXBMFYSA-N	316.792	3.512	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(F)c1)C12CC3CC(CC(C3)C1)C2	916308646	PVNOZBOOFYXPQG-UHFFFAOYSA-N	318.367	3.631	50	20	DHGD	
Cc1ccc(OS(=O)(=O)c2ccc(CCCl)cc2)c(C)c1	917852340	LOMXENPJBHXWKI-UHFFFAOYSA-N	324.829	3.852	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2ccccc2Cl)cc1	33346874	KMLJKOCQWVZTRZ-GDNBJRDFSA-N	317.797	3.987	50	20	DHGD	
CSc1ccc(/C=C(/C#N)C(=O)c2ccc3c(c2)OCO3)cc1	48345519	SWSWBLCSGMAGLV-ZSOIEALJSA-N	323.373	3.927	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1cc(C(F)(F)F)ccc1F	113006502	GJBGIVKHWHONJR-YHYXMXQVSA-N	301.239	3.703	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1cc2cc(F)ccc2o1	118515181	POHIKLRNHXQNPX-UHFFFAOYSA-N	306.243	3.607	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OCC	125523453	YGFKXTJZOVRJRQ-OJLMPMFISA-N	316.357	3.906	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1ccc(F)cc1C	160692314	GOWHFNLLTWFBHY-LBPRGKRZSA-N	316.376	3.780	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c(OC)c1	170933614	AIMADHNTKVNRCN-MDWZMJQESA-N	313.378	3.864	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(OC)c(OC)c1OC	171019531	AVJOPXJRQLWGMO-UVTDQMKNSA-N	317.385	3.625	50	20	DHGD	
O=C(CCc1cccs1)NNc1ccc(C(F)(F)F)cc1	179014615	OBTJCNKCWJKFNF-UHFFFAOYSA-N	314.332	3.843	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3ccc(C#N)cc3)c2cc1C	186213391	KNTQVFMCPWBKOE-UHFFFAOYSA-N	305.337	3.678	50	20	DHGD	
CC[C@@H]1C[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCO1	276923049	WSLCNYUBOFHWLM-TVQRCGJNSA-N	317.216	3.642	50	20	DHGD	
C=CC[C@@H](C(=O)NNc1nccnc1C1CCC1)c1ccccc1	286875365	DUQFTKJSLJTTGW-MRXNPFEDSA-N	322.412	3.547	50	20	DHGD	
O=C(NN=C/C=C\c1ccccc1)c1cc(-c2ccccc2)on1	606375846	YEWPXCMIIDHLCW-URQPXYJTSA-N	317.348	3.771	50	20	DHGD	
CCC(=NNC(=O)Cn1ccc2ccccc21)c1cccs1	729638662	XNGKFRQVUAHZQU-UHFFFAOYSA-N	311.410	3.633	50	20	DHGD	
CN(NC(=O)c1cccc(Oc2ccncc2)c1)c1ccccc1	732997120	UUAJCBBMKSQBRU-UHFFFAOYSA-N	319.364	3.655	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2cc(F)c(F)cc2F)c1	740086432	XFRYQEAXKMHPQG-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
CCC(=NNC(=O)c1ccccc1F)c1cc(F)ccc1F	743423338	PPOLDQDXGNMUQM-UHFFFAOYSA-N	306.287	3.648	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CC[C@@H]2CCC[C@@H]2C1	745875241	MEUSNOLJWQEWIF-YNEHKIRRSA-N	307.825	3.935	50	20	DHGD	
CCCCC(CC)=NNC(=O)CSc1ccccc1OC	761270886	KGRIJIAPEFUDML-UHFFFAOYSA-N	308.447	3.860	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2c(Cl)cccc2Cl)on1	763617804	RNGFRMMLQDYJGZ-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CC[C@H](C)[C@@H](C)C2)cc1	767370201	DPZSUQGAIMFCDT-KBPBESRZSA-N	302.418	3.556	50	20	DHGD	
CC[C@@H]1C[C@H](C)CCC1=NNC(=O)CCc1ccccc1O	769585356	MDFGQPQIRYXSOD-ZIAGYGMSSA-N	302.418	3.643	50	20	DHGD	
O=C(NNc1ccccc1Br)[C@@H](F)c1ccccc1	769605614	LVPJIWRYDIWNRO-ZDUSSCGKSA-N	323.165	3.603	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ncccc2Cl)cc1C	770105384	ALUKBNGLDRDTJT-UHFFFAOYSA-N	304.781	3.754	50	20	DHGD	
Cc1ccc(SC[C@@H](C)NC(=O)NNc2ccccc2)cc1	771402565	SGLVPXGWDILCJL-CQSZACIVSA-N	315.442	3.802	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1ncnc2ccsc12	775780702	ONPPXFABXKMXRO-LLVKDONJSA-N	306.435	3.741	50	20	DHGD	
CN(c1ccccc1)c1ccccc1C(=O)N1CC=C(C#N)CC1	780686735	NUEWAFBWVVQBAC-UHFFFAOYSA-N	317.392	3.750	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@H](C(F)(F)F)C1	783517270	UNPMDKJINLFUMS-JTQLQIEISA-N	314.307	3.534	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/C=C\c2ccc(F)cc2)c1	786056217	NPXHVFIWFABBTE-WSXRBORPSA-N	320.367	3.914	50	20	DHGD	
CCC[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc(O)cc1	787313602	KUNSVNOQYJHBGP-IKBKNKFLSA-N	312.413	3.774	50	20	DHGD	
Cc1ccc(C(=O)NNc2c(C)cccc2F)c(F)c1Cl	790028466	FIRMHECDMITJKU-UHFFFAOYSA-N	310.731	3.992	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1nccn1-c1ccccc1	790210205	LAGFGMFNVYQRRT-SDNWHVSQSA-N	303.321	3.564	50	20	DHGD	
O=C(NN=C1CCC2(CC1)CC2)c1cc(-c2ccccc2)on1	792630817	KGGHTACFXBSDQQ-UHFFFAOYSA-N	309.369	3.782	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)C(=O)NC1CCCCC1	794691586	QVCIRZWXOHYNFV-VJDVQFHISA-N	316.351	3.877	50	20	DHGD	
N#C/C(=C/c1cccc2nccn12)C(=O)c1ccc2ncccc2c1	794965217	PMMAFXFVAZOPFE-VBKFSLOCSA-N	324.343	3.672	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1cccc(C(F)(F)F)c1	808248344	GYLCJACAOMRLBD-UHFFFAOYSA-N	314.134	3.510	50	20	DHGD	
O=C(NNc1ncncc1Cl)Nc1cccc(C2CCC2)c1	812993144	HXCWWELFOODNKB-UHFFFAOYSA-N	317.780	3.546	50	20	DHGD	
Cc1cnccc1CNC(=O)NNc1c(C)cccc1C(C)C	813145696	OXYMMBOMKUBJKO-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2ccc3ccccc3n2)s1	814682946	SLEBRZAXOGTVFG-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1cccc(Cl)n1	817009528	OITXRDTUOPLJHD-ZDUSSCGKSA-N	317.820	3.837	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H]2CCO[C@H](C(C)C)C2)c(Cl)c1	836937835	OKYXETUQTIXLDN-CJNGLKHVSA-N	324.852	3.933	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)c(Cl)c1	836937975	SWVIFQAMYGHPLI-JTQLQIEISA-N	320.824	3.625	50	20	DHGD	
CCC(C)(C)OCC(=O)NNc1ccc(Cl)cc1Cl	837489581	XRYYRRQZVOLSDE-UHFFFAOYSA-N	305.205	3.642	50	20	DHGD	
C[C@H]1CC[C@H](CCC(=O)NNc2cccc(Cl)c2Cl)O1	838349435	RBWISIDJPHYXRH-VHSXEESVSA-N	317.216	3.784	50	20	DHGD	
CSc1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)n1	843852121	VBCTUAXSPKMZDV-UHFFFAOYSA-N	315.442	3.858	50	20	DHGD	
O=C(C[C@@H]1CCCOC1)NNc1ccccc1Cc1ccccc1	846460849	GNGOKKGPTYLTHI-KRWDZBQOSA-N	324.424	3.537	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3ccc(Cl)cn3)CCC2)cc1	856094205	AEHLYMRWUSUQLO-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
C#CCCCCCC(=O)NNc1nc2ccc(Cl)cc2s1	856234899	LAHLRYVHQHRXKV-UHFFFAOYSA-N	321.833	3.977	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1ccc(Cl)o1	859479919	TUYBCTRPYVAZOU-QMMMGPOBSA-N	307.571	3.511	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1nnc(C2CC2)s1	902922683	VRNOJXTWVANLDP-UHFFFAOYSA-N	323.809	3.526	50	20	DHGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)c1ccccc1	916346289	RUSDZXFQTQTVCX-UHFFFAOYSA-N	316.401	3.848	50	20	DHGD	
CN(C(=O)c1cccc(CCl)c1)[C@@H](CCO)c1ccccc1	1120709107	LUFSSAGGYHAPSJ-KRWDZBQOSA-N	317.816	3.621	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2ccc(C)s2)c1	1322546215	DNZBSUVNETXRCE-NTEUORMPSA-N	311.362	3.633	50	20	DHGD	
Cc1ccccc1OCCC(=O)NNc1ccccc1Cl	1322857689	UGZHRBKBXDKQEI-UHFFFAOYSA-N	304.777	3.561	50	20	DHGD	
O=C(N[C@H]1CCOc2c(F)cccc21)C1CCC(Cl)CC1	1349540962	UIHOELSBJJKFCX-MGULZYLOSA-N	311.784	3.563	50	20	DHGD	
COc1cccc2c1CC[C@@H]2NC(=O)C1CCC(Cl)CC1	1528023678	KYIPBXUYFDKGJH-QOZQQMKHSA-N	307.821	3.596	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045108	PUSGACICUXISIA-UHFFFAOYSA-N	303.362	3.629	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c1OC	7350248	XNVADIWNEKQGMZ-GXDHUFHOSA-N	311.312	3.633	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1ccc(F)cc1	8202814	UCRLNLPJVIIYDP-FOWTUZBSSA-N	305.308	3.628	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1[N+](=O)[O-]	14178814	HSTMAYACROHRNY-NTEUORMPSA-N	314.341	3.686	50	20	DHGD	
COc1cc([C@H](C)NC=C(C#N)C#N)ccc1OC1CCCC1	55007312	JPRCNOLIFSYRBH-ZDUSSCGKSA-N	311.385	3.598	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1c(F)cccc1F	118516342	UUALSFWPRUGAGC-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2c(C)cc(C)cc2C)c1	155429736	QKAKMJNGHMWMRZ-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
I[C@@H]1CCC[C@@H]1OCc1ccccc1	158128166	JMFCZIVQOBUVCU-NEPJUHHUSA-N	302.155	3.559	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ncccc2Cl)s1	159771626	HFBJPUCDFQODHJ-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
CC(=O)c1cccc(NC(=O)NNc2cccc3c2CCCC3)c1	163218204	YMCYOJRVVGIWPV-UHFFFAOYSA-N	323.396	3.917	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/c1cc(C)ccc1F	172215067	VXSGGJMZALOKDW-GXDHUFHOSA-N	310.328	3.688	50	20	DHGD	
CS[C@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	172403959	VIPDACMGADJATL-AWEZNQCLSA-N	308.353	3.512	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCC2)C(=O)Nc1ccccc1F	172814480	LIAFEXJZIFHWQW-WJDWOHSUSA-N	306.340	3.860	50	20	DHGD	
CC[C@H](C(=O)NNc1ccncc1)c1cccc(C(F)(F)F)c1	180485687	BKFSNOMEFKJKOQ-AWEZNQCLSA-N	323.318	3.737	50	20	DHGD	
CC[C@@H]1C[C@@H](C(=O)NNc2c(Cl)cccc2Cl)CCO1	184210036	FJOFPWPVWWOOEX-VHSXEESVSA-N	317.216	3.642	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccccc1OCc1ccccn1	210113843	GSWWRJNMHZDTPH-WJDWOHSUSA-N	322.364	3.519	50	20	DHGD	
CC1(C)CN(/C(=C/C#N)c2ccc(F)cc2)[C@@H]1[C@@H]1CCCO1	289980147	XTRIZTPSYSHTKS-TUTJWUKCSA-N	300.377	3.580	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)c1ccc(Cl)cc1)C1CCCCC1	303098015	GLXJUEPEXXLQBI-LBPRGKRZSA-N	322.836	3.708	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)Nc1ccc(C)cc1C	490725083	DLKBELBOVRBKMO-UKTHLTGXSA-N	312.394	3.919	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3cccc(F)c3)n2c1	588598259	NFFAJHFWZTYHQX-ZSOIEALJSA-N	305.312	3.572	50	20	DHGD	
Cc1ccc(C2CC(=NNC(=O)Cc3ccc(F)cc3)C2)cc1	729816131	DILMRWFBAQVRHN-UHFFFAOYSA-N	310.372	3.726	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)[C@H](CC)c1ccccc1	731997622	RFNICEFUPBGZFT-MRXNPFEDSA-N	304.434	3.688	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NCC1CCSCC1	733273481	QELVTNZRWWIXHX-ZDUSSCGKSA-N	319.561	3.960	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)c1cc2ccccc2s1	733808822	JYNNMSVKQGHFMA-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
C[C@@]1(C(=O)NNc2cccc(Cl)c2)CCc2ccccc2C1	742516868	OPAJKTAUCZXSNY-GOSISDBHSA-N	314.816	3.978	50	20	DHGD	
C/C(=C\C(=O)NNc1cccc(Br)c1)C(C)(C)C	748020963	VKTGNMPZHUPNAF-CSKARUKUSA-N	311.223	3.885	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2c(Cl)cccc2Cl)s1	748788167	OAAQLYOLOXNQTG-UHFFFAOYSA-N	324.192	3.690	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCCN(Cc2ccccc2)CC1	750600449	XMUILPFZZBHOJU-CIAFOILYSA-N	317.436	3.759	50	20	DHGD	
O=C(CCc1cscn1)NNc1cc(Cl)ccc1Cl	752811353	SRBNVSYQSLLGKZ-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNC(=O)CC2CCCC2)c(Cl)c1	755426361	ZMDHJYIRTZLCSP-UHFFFAOYSA-N	323.824	3.690	50	20	DHGD	
COc1cc(C(=O)NN=CCC(C)(C)C)ccc1OC(C)C	755568619	BZUVIHKIQKNQBG-UHFFFAOYSA-N	306.406	3.634	50	20	DHGD	
CC#CCNC(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	762708104	WTHYGHHKHFGWAT-QGOAFFKASA-N	323.440	3.657	50	20	DHGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)ns1	766819375	LBHRFSMGTQNKML-UHFFFAOYSA-N	314.322	3.732	50	20	DHGD	
CCc1cccnc1C(=O)NNc1c(Cl)cccc1Cl	767088664	VAZAGZQAEGHPMI-UHFFFAOYSA-N	310.184	3.708	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)c2cnccc2C)c(C)c1	771439664	LHHMKGWSYHJSAA-OAHLLOKOSA-N	312.417	3.703	50	20	DHGD	
CC[C@@H](C)[C@H](NC(=O)NNc1c(C)cccc1F)C(F)(F)F	772533105	SGZJPYREWPWWEU-PELKAZGASA-N	321.318	3.737	50	20	DHGD	
CC(C)[C@H](CC1CCCCC1)C(=O)NNc1ccnc(F)c1	781359154	DVAAXHWSFWRXEL-HNNXBMFYSA-N	307.413	3.906	50	20	DHGD	
CSSCCNC(=O)NCC(C)(C)c1ccc(C)cc1	790709698	QHMWAIJKCJVDBP-UHFFFAOYSA-N	312.504	3.583	50	20	DHGD	
C=C(CBr)CN1C[C@@H](c2ccccc2C)OC[C@@H]1C	791470932	IQIRJJOXLKPMMK-HOCLYGCPSA-N	324.262	3.708	50	20	DHGD	
CCCN(N=Cc1cnc2c(C)cccn12)C(=O)OC(C)(C)C	794994943	BARMIOGVQIMJBP-UHFFFAOYSA-N	316.405	3.624	50	20	DHGD	
COc1cccc(CCC(=O)NNc2ccccc2Cl)c1F	802827180	RLXRLAGICNMLBP-UHFFFAOYSA-N	322.767	3.564	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC(OCC2CC2)CC1	808732687	IVEFGDFCYIZYHC-UHFFFAOYSA-N	313.558	3.899	50	20	DHGD	
N#C/C(=C/C=C\c1ccc(F)cc1F)c1ccc([N+](=O)[O-])cn1	812245908	ZZYVWNYPIMWYQH-TVBBHRQBSA-N	313.263	3.888	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)o1)C12CC3CC(CC(C3)C1)C2	814728424	WKRIVMZABUITFN-UHFFFAOYSA-N	306.793	3.600	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2ccc(OC(F)F)cc2)C[C@H]1C	827181133	WUBFPXVFKUUQND-IJLUTSLNSA-N	312.360	3.803	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@]2(CCSC2)C1	832510733	CYAQGCHUAYDXFP-CVWPPMRVSA-N	302.418	3.909	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccc([C@H](C)C(F)(F)F)cc1	836786842	WQPOBIKEBXRPQP-NSHDSACASA-N	323.318	3.813	50	20	DHGD	
Cc1nc(S)sc1CC(=O)NNc1ccc(C(C)C)cc1	837055423	GJIQUZSBCAPQEO-UHFFFAOYSA-N	321.471	3.549	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NCC(C)(C)CCC#N)cc1	838592650	SNJOKHSWLYWNLB-UHFFFAOYSA-N	302.422	3.766	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2COCC[C@@H]2c2ccccc2)c1	841408996	PCTOYWWEOWVAJF-QZTJIDSGSA-N	324.424	3.567	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(CCCn2ccnc2)C1	844335960	JIUBUGUQNHIPOA-MRXNPFEDSA-N	323.557	3.759	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1cccc(OC2CC2)c1F	849177871	COINVTXMDCDMJL-KAMYIIQDSA-N	316.376	3.580	50	20	DHGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1)OCC(F)(F)F	853430304	DDFVIDKPTCFGLG-LBPRGKRZSA-N	314.307	3.674	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(C)c(F)c1)c1nc(C)cs1	853688110	FVCSZPDHEYWDEP-CYBMUJFWSA-N	322.409	3.676	50	20	DHGD	
Cc1ccc(C(C)C)c(OCCC(=O)NCCCSC#N)c1	854362070	ZKTBWYTYJCWAKI-UHFFFAOYSA-N	320.458	3.608	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(C(=O)N2CCCC2)cc1	864365863	DQSTYVMLXNTQJX-LGMDPLHJSA-N	324.424	3.835	50	20	DHGD	
O=C(NCC(Cl)Cl)c1c(Cl)cccc1OCC1CC1	899120819	SRENHRUUWZRDTB-UHFFFAOYSA-N	322.619	3.662	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cn(C)nc2C2CC2)c1	899344015	JBMQHDPXTZPSPF-CXUHLZMHSA-N	305.381	3.704	50	20	DHGD	
Cn1c(/C(C#N)=C/c2csc(C3CC3)n2)nc2ccccc21	920065276	XMRUOUMAACTWIU-XYOKQWHBSA-N	306.394	3.971	50	20	DHGD	
COc1ccccc1[C@@H](NC(=O)CCl)c1ccccc1Cl	1341509935	SMCDKBZDJKGIRD-INIZCTEOSA-N	324.207	3.793	50	20	DHGD	
O=C(NCc1ccccc1OC(F)F)C1CCC(Cl)CC1	1345562378	ZIXDPQWVGUFPNF-UHFFFAOYSA-N	317.763	3.702	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H]2CCCCC2(C)C)cc1C(=O)O	1600461901	BTLCLFQJGRGBDY-ZDUSSCGKSA-N	318.417	3.743	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Cl)c(C(F)(F)F)c1	6438883	WCKOWLOVSIZFJU-FPLPWBNLSA-N	318.682	3.741	50	20	DHGD	
CCOc1cc(/C=C(\C#N)C(=O)c2cccc(OC)c2)ccc1O	7211334	RTBBQWNTKNISEA-OQLLNIDSSA-N	323.348	3.589	50	20	DHGD	
CC(C)(C)OC(=O)NCC1CCC(CBr)CC1	80775602	AJOZRYSXFRMCKE-UHFFFAOYSA-N	306.244	3.712	50	20	DHGD	
CCOc1ccccc1NC(=O)NNc1ccccc1Cl	91986125	NRCBBKCDGSDPLS-UHFFFAOYSA-N	305.765	3.887	50	20	DHGD	
CCOc1cc(F)ccc1NC(=O)NNc1ccc(F)cc1	92427719	BMGCKQLIGXGARC-UHFFFAOYSA-N	307.300	3.512	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NNc1ccccc1F	153087543	IYCBPWDADWUFSL-NSHDSACASA-N	314.451	3.983	50	20	DHGD	
Cc1sc(-c2ccco2)nc1C(=O)NNc1cccc(F)c1	154642148	VOILHEMFBPDJLF-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc(C)n(C(C)C)c2C)c1	155777341	VVVYUEDYDTYEFC-UHFFFAOYSA-N	319.380	3.590	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2oc3ccccc3c2C)c1	157311160	UILPZMZVDHNUDL-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
CCO/C=C(/C#N)C(=O)Nc1ccc(Nc2ccccc2)cc1	158799606	XDHQVAAAGMISEC-YPKPFQOOSA-N	307.353	3.813	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)s1	180257817	BJYMMSZUONUJMT-WQLSENKSSA-N	313.426	3.877	50	20	DHGD	
CC(C)OC(=O)C[C@@H]1CCCN(/C(=C/C#N)c2ccccc2)C1	184498570	AMEXWTVTAQZERF-HKJBKDEOSA-N	312.413	3.605	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CC[C@]2(C1)OCc1ccccc12	186718268	CPPFWCJADLVMTM-FMRZMLBXSA-N	302.377	3.682	50	20	DHGD	
CC(C)(C)[C@@H]1CCCC[C@H]1NS(=O)(=O)CCCCCl	228328808	IKQALHNWDPVSBI-CHWSQXEVSA-N	309.903	3.530	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCC2)c1nnc2n1CCCCC2	255618890	DRHXOACRUMXOOC-SFQUDFHCSA-N	304.397	3.557	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(Br)n1	272115839	QHLYMOGFWVWMOS-UBYNWHESSA-N	307.191	3.756	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)C1(C(F)(F)F)CCC1	294996620	NRMNNLADVSOGMI-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1c(F)cccc1Cl	295056524	UYYYLNWESGCILK-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
CCCN(N=C1CC[C@@H](CC(=O)O)[C@H]1C)C(=O)OC(C)(C)C	495589475	AKYKJHPGMLBMAF-NEPJUHHUSA-N	312.410	3.510	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cccc2ccccc12	725438169	DCIAMDKHQYYRRN-UHFFFAOYSA-N	306.340	3.672	50	20	DHGD	
CC(C)(C)CC(=O)NN=C(CC1CCCCC1)c1ncccn1	733901590	RIXDROKVZGLWLA-UHFFFAOYSA-N	316.449	3.704	50	20	DHGD	
Cc1ccccc1COc1c(C)cc(C=NNC(=O)O)cc1C	738773902	ZMKLPGBIZYDFDJ-UHFFFAOYSA-N	312.369	3.792	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1ccc(Cl)nc1	743817849	HIMUJQFGFFTCJK-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
CO[C@]1(C)CC(=NNC(=O)c2cccc3ccccc23)C1(C)C	746575818	LDDDYVLFFMZIKL-LJQANCHMSA-N	310.397	3.761	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3cc(C)c(C)cc3o2)cc1	746882582	JFOPRTLKDMXFAZ-UHFFFAOYSA-N	310.353	3.815	50	20	DHGD	
C[C@@H]1CCC[C@@H](OCC(=O)NNc2cccc3c2CCCC3)C1	748588831	PHPVFTPRJQHFBY-GDBMZVCRSA-N	316.445	3.604	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@H]1C[C@H]2CC[C@H]1C2	754151159	YZACCKNSXVAUEX-QXEWZRGKSA-N	316.298	3.724	50	20	DHGD	
Cc1oc2ccccc2c1C=NNC(=O)c1cccc(N(C)C)c1	758095774	LCBBTVOXUFYQRQ-UHFFFAOYSA-N	321.380	3.571	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2[N+](=O)[O-])o1)c1ccncn1	758913363	RCGNMDKYHSIVSP-XFXZXTDPSA-N	318.292	3.709	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(F)c(C(F)(F)F)c1	762237720	YLDDLRVKARZVLV-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
O=C(NNc1ccc(F)cc1)Nc1nc2ccsc2s1	770035823	XUMHDTKLJKLIIV-UHFFFAOYSA-N	308.363	3.646	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)c1cc(F)cc(F)c1	772175275	IIQQYCQDXKDZCF-YIXHJXPBSA-N	312.250	3.765	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(C#N)cc2F)cc1	772808906	ZUUZYOAAOUOIAZ-YBEGLDIGSA-N	319.339	3.805	50	20	DHGD	
C#CCOc1cccc(Cl)c1/C=C(\C#N)C(=O)CC(C)C	777884538	PNRUGKHYTXNCPC-JLHYYAGUSA-N	301.773	3.874	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2cc(C)ccc2F)cc1	778932401	UKVKREYDXRVWMM-CQSZACIVSA-N	300.377	3.764	50	20	DHGD	
COc1cc(NNC(=O)c2cc3ccsc3[nH]2)ccc1Cl	790178307	YTQWYVLBBQQDNY-UHFFFAOYSA-N	321.789	3.648	50	20	DHGD	
CSSCCNC(=O)N1CCC(C)(c2ccccc2)CC1	790880522	UJQGWUZRCYEOQB-UHFFFAOYSA-N	324.515	3.761	50	20	DHGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2cc(Cl)cc(Cl)c2)O1	791726398	IEDBBKWNNNFQBD-NOZJJQNGSA-N	317.216	3.784	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCC[C@H]2CCF)cc1	794876911	AAAACLBTHCWTIM-ZDUSSCGKSA-N	308.422	3.719	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1ccccc1F	799756691	HGRFZAYPIKRZKZ-UHFFFAOYSA-N	300.377	3.772	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NN=C1CCC[C@H]2C[C@@H]12	800807238	ULFQNQVXRCCTHB-GXFFZTMASA-N	308.834	3.724	50	20	DHGD	
CCC(C)(C)C1CCC(CC(=O)NNc2cccnn2)CC1	801189747	FUUQCWLWPFIGNE-UHFFFAOYSA-N	304.438	3.552	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1ccc2sccc2c1	805460477	WMLCLWZMLUACSK-UHFFFAOYSA-N	324.409	3.716	50	20	DHGD	
COc1cccc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cn3)oc12	812244484	BZCFYRDPRZLWND-XYOKQWHBSA-N	321.292	3.809	50	20	DHGD	
Cc1ccc(C2(C(=O)NNc3c(F)cccc3F)CCC2)cc1	819412523	ZJQQBJJYIBAUJE-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CC1(C)C[C@@]1(C(=O)NNc1cc(Cl)ccn1)c1ccccc1	831795121	XXSWQLOZVZVGAX-KRWDZBQOSA-N	315.804	3.546	50	20	DHGD	
CSSCCNC(=O)Nc1cccc(-c2ncco2)c1C	836636340	QZXQGEICMCEXMU-UHFFFAOYSA-N	323.443	3.783	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)[C@H](C)C1CCC1	837586641	FNRSBLLRKVOERS-GFCCVEGCSA-N	319.474	3.564	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)CS1	840413810	LBQRAXDLQOKLII-CPCISQLKSA-N	320.245	3.514	50	20	DHGD	
Cc1cc(C)nc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897238	AYCIVAZLXHKXFG-AWEZNQCLSA-N	307.514	3.694	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2[C@H]3Cc4ccccc4[C@H]32)c(C)c1	860318357	UGMFLRCZWSNOMF-RCCFBDPRSA-N	306.409	3.641	50	20	DHGD	
CCCN(C)c1ccccc1NC(=O)NCCSSC	861646775	XUOMWHMMQUBHIO-UHFFFAOYSA-N	313.492	3.666	50	20	DHGD	
C[C@@H](NNC(=O)C1CCC(c2ccccc2)CC1)C(F)(F)F	862311114	JPNKUBPJDVJDIK-LMWSTFAQSA-N	314.351	3.532	50	20	DHGD	
CC(=NNC(=O)c1cc(C)cs1)c1c(C)nn(C(C)C)c1C	863155542	OTBGRVLCXCFVDX-UHFFFAOYSA-N	318.446	3.605	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1cc(C)oc1C	916351009	WDSWSUVFMIFYDT-UHFFFAOYSA-N	304.777	3.633	50	20	DHGD	
CC(C)c1cc(NC(=O)[C@]2(C)C[C@@H]2Br)ccc1O	922379769	KNPAUHCXHMGZPJ-GXTWGEPZSA-N	312.207	3.628	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]2CCCC[C@H]2C1	1319291366	HIJWBKXCEALVGW-JLYGDYLGSA-N	311.385	3.971	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2ccc(-c3cnn(C)c3)cc2)n1	1325016309	OIVWLQBNFSJUDT-VIZOYTHASA-N	306.394	3.916	50	20	DHGD	
CC1(C)C[C@H](C(=O)NNc2ccc(C(C)(C)C)cc2)CCO1	1337212450	RCEPHSJCYJCICH-CYBMUJFWSA-N	304.434	3.632	50	20	DHGD	
C[C@H](Cc1ccc(N(C)C)cc1)NC(=O)C1CCC(Cl)CC1	1548636312	WXZNWDRXZCDFCI-IUDNXUCKSA-N	322.880	3.597	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/C=C\c2ccccc2)cc1	33297409	ZARZZORAEUNVCI-UDTWMHFTSA-N	304.349	3.797	50	20	DHGD	
C[C@H]1CCc2c(sc3nc(CCCCCl)[nH]c(=O)c23)C1	48412261	WOWCFGNTVFVNPH-VIFPVBQESA-N	310.850	3.671	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(c2cccc(Cl)c2)CC1	113430558	YFWKNFSVQIWOLI-UHFFFAOYSA-N	322.742	3.793	50	20	DHGD	
O=C(CCc1ccc(Cl)s1)NNc1ncccc1Cl	114884170	VYQJSPOZAYWYQW-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
Cc1oc(C)c(C(=O)NNc2ccc(OC(F)F)cc2)c1C	123076613	GMJMXVDXUINXNB-UHFFFAOYSA-N	310.300	3.563	50	20	DHGD	
C[C@@H](CBr)CNC1(c2nccs2)CCCC1	134000824	PLGLBUMLRMORKN-JTQLQIEISA-N	303.269	3.533	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc(C(C)(C)C)s2)c1	159128322	CSQJFMHIUOSIQR-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCCc1sccc1C	161054853	IBLYXTGXHBWEFR-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1ccc(F)cc1Cl	172086988	HROAHRWDVASNAB-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
Cc1ncccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	179941618	UCXYGVLZURQUGC-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C=CCNS(=O)(=O)c1ccc(S(F)(F)(F)(F)F)cc1	181606298	SGWYLRVMCGBALT-UHFFFAOYSA-N	323.308	3.808	50	20	DHGD	
C[C@H](c1ccsc1)N1CCN(/C(=C/C#N)c2ccccc2)CC1	185497755	XYQBWTIYGGIHGS-HZSTWWNRSA-N	323.465	3.991	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(C(F)(F)F)c(F)c1	190246436	MSHPGJWUWNQGFD-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1cccnc1NNC(=O)C(C)(C)c1ccc(Cl)cc1F	276807704	ZKCVZQGDMOHLSU-UHFFFAOYSA-N	321.783	3.603	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1ccc[nH]1	302633908	LIGMLSVCGXUNOZ-UHFFFAOYSA-N	304.564	3.732	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(Cl)c(C(F)(F)F)c1	727255854	RZAKSCPXQYMAHL-UHFFFAOYSA-N	321.730	3.792	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cc(F)c(F)c(F)c2)c1	727974124	GHSVIAKMJKGURS-LFYBBSHMSA-N	317.266	3.902	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)c1ccc(SC(C)C)cc1	728425767	MPMHERJROQGIDQ-UHFFFAOYSA-N	315.442	3.680	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC2CC2)c1C	742778449	ZJJSRZYDQMKLGD-LDADJPATSA-N	313.445	3.728	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2ccc(Br)cc2)o1	743299306	LAMSDUHUYNMWGP-JTQLQIEISA-N	323.190	3.597	50	20	DHGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)CC(F)(F)F	748132417	AHTAKQQSZZEUAX-UHFFFAOYSA-N	316.348	3.518	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1ccc(Br)s1	750935183	NZBPJMSLDCROKS-UHFFFAOYSA-N	315.236	3.973	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)cc1F)C(=O)NC1CCCCC1	758018184	RULDTFXCADSULW-VJDVQFHISA-N	316.351	3.877	50	20	DHGD	
O=C(NN=C1CC(C(F)F)C1)c1cc2c(s1)CCCCC2	766015877	PMDHUFVIBQVOCG-UHFFFAOYSA-N	312.385	3.778	50	20	DHGD	
N#C/C(=C\c1nccn1CC(F)(F)F)C(=O)C1CCCCC1	767735654	GJGMMIVYAZLIIK-XYOKQWHBSA-N	311.307	3.502	50	20	DHGD	
C[C@](O)(C1CCN(/C(=C/C#N)c2ccccc2)CC1)C(F)(F)F	767912484	IGNFORLRSUFGAP-NHKNYXOTSA-N	324.346	3.576	50	20	DHGD	
CC(C)[C@H]1CCCCN1C(=O)[C@H](Br)C(C)(C)C	768165208	GKQYJGYENXAZNP-NEPJUHHUSA-N	304.272	3.833	50	20	DHGD	
C[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1(C)C	768451568	TYMIQTAAXQNUQK-MNOVXSKESA-N	304.272	3.691	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)Cc1ccccc1F	770383404	UHHNUIZLWGOCMN-WDEREUQCSA-N	317.198	3.579	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNc1ccnc(Br)c1	771551775	FOQZNWLHTMVXAH-SNVBAGLBSA-N	314.227	3.504	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2nccnc2C(C)C)cc1	772867160	SNZFCKQIHVTNSM-ZDUSSCGKSA-N	312.417	3.870	50	20	DHGD	
Cc1cc(Cl)ccc1NC(=O)NNc1ccccc1[N+](=O)[O-]	775414874	MYEPBAXZXKZZLJ-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CCC[C@@H](OCC2CC2)C1	778172935	FLXFJNVBHGKSRW-BDLODKHMSA-N	300.377	3.581	50	20	DHGD	
Cc1cnc(NC(=O)NNc2ccc(C(C)(C)C)cc2)s1	780024508	RLLCOKRDXMCJKY-UHFFFAOYSA-N	304.419	3.898	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)s1	782201235	RFMCKQJTOGZRHC-WTKPLQERSA-N	303.364	3.606	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C\c1cc(C(=O)O)cs1	782201943	YLZIVKKMWQDPMW-WTKPLQERSA-N	303.364	3.606	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@@H]1CCC2(CCCC2)O1	785349111	MDJOUGONWLGAEQ-MOKGIYGOSA-N	311.381	3.629	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccccn1)c1ccc(C(F)(F)F)cc1	788928273	DEKKCAGTNSXWCO-NSHDSACASA-N	321.302	3.620	50	20	DHGD	
C/C(=C/c1ccccc1Cl)C(=O)NNc1ncccc1C	791226411	YLDOXVHZHFWGIJ-BENRWUELSA-N	301.777	3.590	50	20	DHGD	
C[C@H](CBr)CN(Cc1c(F)cccc1F)C1CC1	792322506	FSYVZZRNYAPSPR-SNVBAGLBSA-N	318.205	3.960	50	20	DHGD	
CN(N=C(CCCc1ccccc1)c1ccc(F)cc1)C(N)=O	793033500	BXTQXBSEQUEBKB-UHFFFAOYSA-N	313.376	3.563	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1nccc2sccc12	795102830	UHOQTYGCCYVOCQ-NEPJUHHUSA-N	303.431	3.956	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1ccc(OC)c(OC)c1	797397958	MQYUEVBMXBKNSC-OLZOCXBDSA-N	318.417	3.636	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc2cnccc12	799756102	YDGIAAYMBCCUKL-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccccc1OC(F)(F)F	800542864	SITTVJUPQUBGOI-JTQLQIEISA-N	304.312	3.855	50	20	DHGD	
CC[C@H](C=NNC(=O)CCN1CCCCCC1)c1ccccc1	814757895	BMWVXDGXCZWEFE-QGZVFWFLSA-N	315.461	3.548	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](OC(C)C)c2ccccc2)c1	815856433	LJIULQBYOUXLOH-KRWDZBQOSA-N	316.376	3.744	50	20	DHGD	
CCC[C@H]1CCC[C@@H]1C(=O)NNc1cccc(C(F)(F)F)n1	825997709	MHRGSLGZHUSVKL-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
C#CCCOc1ccc(C(=O)NNc2ccc(C(C)C)cc2)cc1	837054265	WWBVGNGXXMHTOX-UHFFFAOYSA-N	322.408	3.969	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C(C)(C)C1CCC(O)CC1	841433601	WOKAZUUSNCYMKN-UHFFFAOYSA-N	318.461	3.578	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)s1)[C@@H]1C[C@H]1C	841612490	KVSKXBBJLPZXLM-HTQZYQBOSA-N	315.236	3.662	50	20	DHGD	
CCC1(C(=O)NNC(=S)Nc2cccc(C)c2C)CCCC1	854186574	OHNZCCQKKFYZBD-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
COc1cccc([C@H](C)CCCC(=O)NCCCSC#N)c1	854359311	IUDCLPQTVPGKDY-CQSZACIVSA-N	320.458	3.690	50	20	DHGD	
CSC(C)(C)C(=O)NNc1ccccc1Cc1ccccc1	855021989	JUFHFSGGARKGFS-UHFFFAOYSA-N	314.454	3.862	50	20	DHGD	
CCC(C#N)(CC)C(=O)NNc1cc(Cl)ccc1Cl	860319530	BHHTVGPYTRLICU-UHFFFAOYSA-N	300.189	3.766	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1cccc(F)c1Cl	862508599	WPGCBVCBZBKYMH-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2cc(C)cs2)C12CCCC2	863155615	RTZOVCTWNCZAAW-CQSZACIVSA-N	306.431	3.512	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1cc(Cl)ccc1F	871269201	AHPGNCQRHCXTAI-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2F)o1)C1CCCC1	914835842	WCZKEJGJNIWXCN-UHFFFAOYSA-N	300.333	3.726	50	20	DHGD	
CC(=NNC(=O)CNc1ccccc1)c1cccc2ccccc12	915918727	INVKTMLJPOCZEU-UHFFFAOYSA-N	317.392	3.792	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCC2=CCCCC2)cc1	916650335	FCPNDSPQUUOAPR-JXAWBTAJSA-N	324.424	3.999	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)NCc1nc(C)c(C)s1	921009521	IHVKQWOIPSFXNL-UHFFFAOYSA-N	324.837	3.548	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1ccc(C(C)(C)C)nn1	1252739283	DDVSDXNKPQYLBA-UHFFFAOYSA-N	306.454	3.824	50	20	DHGD	
CC(C)=CCCC(C)=NNC(=O)c1cncn1-c1ccccc1	1330964675	YSIHXTYLKSNMQW-UHFFFAOYSA-N	310.401	3.724	50	20	DHGD	
CCCOc1cccc(C(=O)NNc2cc(F)c(F)cc2F)c1	115718446	NFVALUHEEUXFRY-UHFFFAOYSA-N	324.302	3.650	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(Cl)cc1	120207097	HXBDQWFOWMJSRR-UHFFFAOYSA-N	306.797	3.655	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)c2ccc(F)cc2)c1C	160707868	DIGCDOLKTZIPSO-GDNBJRDFSA-N	311.360	3.839	50	20	DHGD	
C[C@H](c1ccco1)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	188264257	UVOJPTLLKSHUTF-LKKYZFDUSA-N	322.364	3.644	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2sccc2C)cn1	190257773	UAPAXMFNDGNBLZ-NTEUORMPSA-N	311.410	3.698	50	20	DHGD	
Cc1ccsc1C=NNC(=O)c1cc2ccccc2cc1O	254301743	YVTWKYBEVRJJKD-UHFFFAOYSA-N	310.378	3.679	50	20	DHGD	
CC1=CC(=NNC(=O)COc2cc(C)ccc2C(C)C)CC1	254813119	ARPFIMPBGOBNJY-UHFFFAOYSA-N	300.402	3.710	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(Oc2ccncc2)c(C)c1	588600896	MNLBSQJFMGYLBF-OWBHPGMISA-N	323.352	3.565	50	20	DHGD	
O=C(NN=C1CCCCc2ccc(Cl)cc21)c1ccncc1	735223515	CZBMYZXPCGFCGE-UHFFFAOYSA-N	313.788	3.596	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCC[C@@H](C3CC3)C2)c1	737421063	PACBBUBELGPKJR-MRXNPFEDSA-N	314.429	3.755	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ccccc1Br	748059770	CTAQIMIWDREFHQ-UHFFFAOYSA-N	313.239	3.965	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCOc2c(C)cccc2C)c1	748786097	YFVCEROKCWRGHL-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1csc(Cl)c1Cl	761387939	ZUVFSYWFKUIHFZ-FPYGCLRLSA-N	303.214	3.734	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1c(F)cccc1Cl	770197104	JWWFWJOBBJFTBZ-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
CCc1ncsc1NC(=O)NNc1c(F)cccc1Cl	771177927	CVFBSQWSRQZVHL-UHFFFAOYSA-N	314.773	3.647	50	20	DHGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)c1ccc(OC(F)F)cc1	777468164	PGXLYHVWHILLRQ-KPKJPENVSA-N	318.254	3.612	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)c1ccc(CN(CC)CC)o1	779770882	IMOVVBNEPHUDKC-CQSZACIVSA-N	319.449	3.807	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1ccc(F)cc1Br	784445892	FBNKMPDINMQGLH-UHFFFAOYSA-N	317.202	3.714	50	20	DHGD	
COC1(C=NNC(=O)c2cc3c(s2)CCCCC3)CCCC1	790148511	ALFXMPHLCIOUHZ-UHFFFAOYSA-N	320.458	3.692	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](C)c2ccsc2)ccc1Cl	790170902	PTIFQTXGILTECP-VIFPVBQESA-N	310.806	3.657	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)OC1CCCCCC1	795552727	XOJXYSBYGWHDPB-LBPRGKRZSA-N	319.239	3.609	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc(Br)cc1	795570078	QFQPEJQFDURPNI-XNFYSYIQSA-N	320.186	3.913	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1cccc(Cl)c1	797811172	BXEVGVWOEQNEQE-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C2(C)CCCCC2)c(Cl)c1	802050310	WIJONHTXEOLKBA-UHFFFAOYSA-N	323.824	3.772	50	20	DHGD	
C[C@H](CCC(C)(C)C)C(=O)NNc1nccnc1C1CCC1	805467836	JIZJOXJYTAERIC-GFCCVEGCSA-N	304.438	3.650	50	20	DHGD	
CCc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1Cl	806681065	UUUMDFDLRGACDA-UHFFFAOYSA-N	314.776	3.923	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3nccc4sccc34)cn2c1	806861450	OJAGUGIOUSXUQV-UHFFFAOYSA-N	322.393	3.614	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1ccccc1OC1CC1	807195929	NVULTAJSQIONPE-UHFFFAOYSA-N	319.364	3.533	50	20	DHGD	
CCCN(N=Cc1cnc(C(C)(C)C)nc1)C(=O)OC(C)(C)C	814927596	WOELNLGWAVUWMZ-UHFFFAOYSA-N	320.437	3.755	50	20	DHGD	
Cc1nc(-c2ccccc2)sc1C(=O)NCC(Cl)Cl	816604570	OTXLPGJLMMEDBS-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Nc1scnc1C1CC1	822253406	ZETPJOOFOXDCIU-UHFFFAOYSA-N	306.366	3.617	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2ccc(C)c(F)c2)c1C	822926798	QZPXIOLBAHWXFZ-LLVKDONJSA-N	319.384	3.759	50	20	DHGD	
C[C@@H]1CCC[C@@]1(C)C(=O)NNc1cccc(Br)c1	827505916	FZRRLSIYZRKPQC-QMTHXVAHSA-N	311.223	3.719	50	20	DHGD	
CC(C(=O)NNc1ccc(OCC(F)(F)F)cc1)=C1CCC1	827521113	NXPVGBPGZBJVTD-UHFFFAOYSA-N	314.307	3.571	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cc(C)ccc1F	831243152	JKMFHLBYUKANRP-UHFFFAOYSA-N	300.377	3.691	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CCCCCO	844347808	NXZMYKSFRQPBKJ-OAHLLOKOSA-N	301.547	3.635	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(F)c1OC(F)F	849176535	POHOYGTWDXAXKV-FLIBITNWSA-N	313.275	3.677	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1cc(F)c(F)c(F)c1	851902901	UMFQHSWHMDVOTH-XDYOCTJHSA-N	322.168	3.928	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(Cc2ccncc2F)C1	852524033	NPGMYKSWEQXTFK-AWEZNQCLSA-N	310.489	3.817	50	20	DHGD	
C[C@]1(CN[C@H]2CCCOc3ccccc32)C[C@H]1Br	857081041	BIUMJTFOSVBWQT-NWANDNLSSA-N	310.235	3.663	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(C(F)(F)F)cc1)c1ccco1	860319949	NJXJSYLRGSZSGO-JTQLQIEISA-N	312.291	3.935	50	20	DHGD	
CCCn1nc(C)c(C(=O)NNc2cc(Cl)ccc2C)c1C	885125308	OXQNKRIRTPFNGN-UHFFFAOYSA-N	320.824	3.629	50	20	DHGD	
CC1=C(C(=O)NNc2cc(Br)ccc2F)CCC1	885147292	ALIMFDXLGLNZRY-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
Cc1cc(C(=O)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)on1	891545081	INHDKJIGPBTPDS-CYBMUJFWSA-N	324.497	3.609	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)/C=C\c1ccc(C(C)(C)C)cc1	913185588	SXEKSRDMVCPQSG-XFXZXTDPSA-N	318.417	3.553	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(O)cc1)c1ccc(Cl)cc1	916265320	IIIJVKMVAWORRK-UHFFFAOYSA-N	316.788	3.980	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=Cc1cccc(C(F)(F)F)c1	916351685	NLJBFJNFOOPFCP-UHFFFAOYSA-N	324.277	3.537	50	20	DHGD	
O=C(NN(c1ccccc1)c1ccccc1)c1ccc(CO)cc1	916593679	YGNLGMVJNAVHIW-UHFFFAOYSA-N	318.376	3.662	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCSc1nc(C(=O)O)cs1	1590451328	JBXKIXZORVJZQC-UHFFFAOYSA-N	319.524	3.955	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2cc(C)cc(C)c2)cc1C(=O)O	1597791610	SCQADJOHYZYBKE-ZSOIEALJSA-N	323.348	3.947	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2cccc(C(=O)O)c2F)CC1	1604521451	GCFCYCAIQCMBKE-UHFFFAOYSA-N	322.380	3.574	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1cccc(C(=O)O)c1C	1605207763	ISCRIJIXEGVPMX-ZDUSSCGKSA-N	306.406	3.599	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cccc(Cl)c2)cc1	1788473	UERNGZWNTLKPIL-MHWRWJLKSA-N	317.797	3.987	50	20	DHGD	
C#CCOC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	58824894	NGWRDQCEDQZYHI-ATVHPVEESA-N	310.397	3.694	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccccn2)cc1OCCCC#N	64367225	KKZZLFOVLCJVBA-VBKFSLOCSA-N	319.364	3.837	50	20	DHGD	
CCN(CC)c1ccc(C(=O)NNc2ccccc2Cl)cc1	120787161	DNEWOWJYXRPZHW-UHFFFAOYSA-N	317.820	3.943	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)cc2)c(Br)c1	121758067	UKQBBEALJRRMKC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1nc(-c2ccccc2)oc1C(=O)NNc1ccccc1F	153357496	NGASNROEZSRXNF-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
COCc1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cc1	153594875	IVTYJIGWBRZYRM-UHFFFAOYSA-N	324.302	3.609	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccc(C(F)(F)F)cc2)cn1	153596906	VOGCTNZWZICEJP-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1cccc(-c2ccccn2)c1	158324211	NYRRQXMAXFJRGR-NBVRZTHBSA-N	319.408	3.962	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccncc1)c1cccc(C(F)(F)F)c1	180485705	BKFSNOMEFKJKOQ-CQSZACIVSA-N	323.318	3.737	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1OCCCC#N	194769584	BNQXPCQLMGALIA-XNTDXEJSSA-N	312.369	3.510	50	20	DHGD	
COc1ccc(NNC(=O)[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1	267007935	NLNAZUGHXKKCTG-MNOVXSKESA-N	316.323	3.507	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)(C)C)ccc1[N+](=O)[O-]	271340981	JNCULLVDZUQTLG-KPKJPENVSA-N	302.330	3.516	50	20	DHGD	
C=C(CBr)CN1C[C@@H]2CCC(=O)c3cccc1c32	279788761	VDLRSHDIGBKVPE-NSHDSACASA-N	306.203	3.518	50	20	DHGD	
O=C(NNc1ccc(F)cc1)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	362198504	GMRYWPALNKALEU-VDQHWBOFSA-N	306.356	3.577	50	20	DHGD	
CCc1cnccc1[C@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490839150	CIYNFPUDHZTSIT-ATTDUZETSA-N	323.371	3.567	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cccc(F)c2C#N)cc1	491128536	DPCXUNBXDUAURT-NTEUORMPSA-N	305.312	3.551	50	20	DHGD	
CCCN(N=Cc1cnn(C(C)(C)C)c1)C(=O)OC(C)(C)C	496216122	KUFDSTWMMQRWFI-UHFFFAOYSA-N	308.426	3.619	50	20	DHGD	
CC[C@H](C)[C@@H](C)NS(=O)(=O)c1ccc(CCCCl)cc1	726974257	UQJZFUAAWCOPOP-QWHCGFSZSA-N	317.882	3.571	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H](C)C2CC2)ccc1Br	734254874	MTJCUANSVVRWMU-SECBINFHSA-N	311.223	3.637	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(Cl)nc1)c1ccccc1F	743817195	SVTNUXREOWELAR-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccnn1C1CCCC1	748573702	HOUSGBAWPHTKQJ-UHFFFAOYSA-N	324.428	3.634	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N[C@H]1CCCSC1	748735002	MJCOCPDUJSUFCJ-RYUDHWBXSA-N	305.534	3.712	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1cnc(Cl)c(C)c1)c1ccccc1	760258743	MKQTXUPTYIXVBY-HNNXBMFYSA-N	315.804	3.687	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(F)c(Cl)c1Cl	761390677	DVPCSLOQSYEQFW-UITAMQMPSA-N	302.132	3.991	50	20	DHGD	
O=C(NN=C1CCCc2c1sc1ccccc21)c1ccccn1	763103341	BINABZWDSNSUAD-UHFFFAOYSA-N	321.405	3.767	50	20	DHGD	
Cc1cccc(OCCCC(=O)NNc2c(C)cccc2F)c1	771706013	AKPNRQZKJYJPHJ-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
Cn1ccc(/C=C(/C#N)C(=O)c2c(Cl)cccc2Cl)n1	773151110	RJRRVYKQMSCIHK-CLFYSBASSA-N	306.152	3.517	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCc3c(Cl)cccc32)cc1	776222781	VOWULYYMJUVPFW-HNNXBMFYSA-N	300.789	3.822	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)C[C@@H]1CCCCC1(C)C	780732879	PUAKTEDEGFPDMC-ZDUSSCGKSA-N	318.417	3.523	50	20	DHGD	
Cc1nc(C(=O)NNc2ccc(C(C)(C)C)cc2)c2ccccn12	780806126	YBDFTULFKXIYSG-UHFFFAOYSA-N	322.412	3.697	50	20	DHGD	
CC(C)(C)CN(CC(C)(C)C)S(=O)(=O)CCCCCl	780831254	FVDTYQGVKBPWFT-UHFFFAOYSA-N	311.919	3.729	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](c2ccccc2)C[C@H]1C	790880666	WDECEHUYEYPGHB-OCCSQVGLSA-N	310.488	3.585	50	20	DHGD	
C=C[C@](C)(CCOC)C(=O)NNc1cc(Cl)cc(Cl)c1	791739056	DTOAPJLWYQQJGT-CQSZACIVSA-N	317.216	3.665	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncccc2C)cc1C(F)(F)F	792218755	BLFRCIJDNBLZTC-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)[C@H]1CCCC[C@H]1CC)c1ccccc1	793483269	QBBHAKHSJCDASZ-PVAVHDDUSA-N	316.445	3.544	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cccc(Br)n1	794955448	ZJDUPMYXRVVPRL-CSKARUKUSA-N	307.191	3.756	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1cc(Cl)ccc1OCC1CC1	797397380	BYGGRTYHUCVOEL-AUWJEWJLSA-N	318.804	3.560	50	20	DHGD	
Cc1cccnc1NNC(=O)Nc1cc(C)c(Cl)c(C)c1	799518478	GEDLBENNFPGTGH-UHFFFAOYSA-N	304.781	3.809	50	20	DHGD	
CCc1[nH]ccc1C(=O)NNc1c(Cl)cc(F)cc1Cl	802965654	LMEHUNQPPGXQNG-UHFFFAOYSA-N	316.163	3.780	50	20	DHGD	
Cc1oc2ccc(NC(=O)NNc3cccc(F)n3)cc2c1C	806432427	KJQXOCJNEFNRSZ-UHFFFAOYSA-N	314.320	3.732	50	20	DHGD	
C/C(=C\c1ccc(Cl)cc1)C(=O)NNc1ccc(Cl)nc1	810460923	IMHNDWYVRRZWJU-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
O=C(CC1CC1)NN=Cc1csc(-c2ccc(Cl)cc2)n1	814986089	FZGVROOGAGESCN-UHFFFAOYSA-N	319.817	3.714	50	20	DHGD	
COCc1ccc(C=NNC(=O)Nc2ccc(Cl)cc2)cc1	815003144	GTDLLRISJVLDCZ-UHFFFAOYSA-N	317.776	3.642	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1c[nH]c(C(F)(F)F)c1	816163118	CMWFZWMZAAJOHJ-UHFFFAOYSA-N	321.661	3.583	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)CC(C)(C)C2CC2)c(Cl)c1	816595943	HVHUFPSZCDNIFQ-UHFFFAOYSA-N	323.824	3.627	50	20	DHGD	
Cc1cccc(NNC(=O)c2nc(Cl)sc2Cl)c1	816844030	LVSPZPWUMDDQAA-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C(\C)c2cccc(F)c2)cc1	817885657	IMLBBUBOJMFRDU-ACCUITESSA-N	314.360	3.771	50	20	DHGD	
Cc1nc(-c2ccc(C(=O)NCC(Cl)Cl)cc2)cs1	819795108	UQMICAOPYXPHIS-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
CSSCCNC(=O)Nc1nc(C(C)C)c(C)s1	824273833	WYLKWRGVLDTCAS-UHFFFAOYSA-N	305.494	3.708	50	20	DHGD	
COC[C@H]1CCCCN1C(=O)CCCC[C@H]1CCSS1	837143501	MQCIKFRYZAZHKG-KGLIPLIRSA-N	317.520	3.728	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cccc(O)c1Br	840715309	AFKKGPLNCOBJJH-MDXIRLPMSA-N	308.175	3.677	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(CCCSCC#N)C1	852525388	YWYQDMVMVNWZHW-CQSZACIVSA-N	314.571	3.729	50	20	DHGD	
CC(Cc1ccc(Cl)cc1)=NNC(=O)OCC(F)(F)F	853429920	SEZLKWRNBQYKCE-UHFFFAOYSA-N	308.687	3.547	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@H]1SCCc2sccc21	855366997	NWFXAXJCKFEATB-AWEZNQCLSA-N	322.430	3.669	50	20	DHGD	
Cc1cccc2c(C(=O)NC[C@@]3(C)C[C@@H]3Br)coc12	857386171	RGDJGJYUGOVPOG-SWLSCSKDSA-N	322.202	3.645	50	20	DHGD	
CC[C@H](C#N)C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	897967985	CFTPKXNHEPJJGJ-KGLIPLIRSA-N	310.514	3.549	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2ccc(C(F)(F)F)cc2)c(C)n1	907096657	FTPGZSZXSZEFKD-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1c(OC(F)F)ccc2ccccc12	915974585	MWYXDDSZWAHAPC-LLVKDONJSA-N	320.339	3.937	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cc1[N+](=O)[O-]	1116001854	PODCWDSIHLIIAN-NTEUORMPSA-N	322.320	3.702	50	20	DHGD	
CC(C)(C)c1nnc(CNC(=O)c2cccc(CCl)c2)s1	1335811115	POBXZZUWIFIZKE-UHFFFAOYSA-N	323.849	3.504	50	20	DHGD	
O=C(NC[C@H]1CCC2(CCC2)CO1)c1cccc(CCl)c1	1339149558	RZGFRHGLLJGWMB-OAHLLOKOSA-N	307.821	3.505	50	20	DHGD	
COc1ccccc1C[C@@H](C)N(C)C(=O)C1CCC(Cl)CC1	1351443311	AVUZHLPUKABXLL-VQCLRJIVSA-N	323.864	3.882	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)Nc1ccc(C(=O)O)cc1)C1CC1	1776045188	BJMNUTRUBNEHCU-UHFFFAOYSA-N	317.389	3.709	50	20	DHGD	
O=C(NNc1ccccc1)c1occc1COc1ccccc1	75477196	HCDGPLRPSRIUPH-UHFFFAOYSA-N	308.337	3.616	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc(-c2ccccc2)nn1)C(C)C	153054152	XXUGOAWIEUCGRB-HNNXBMFYSA-N	312.417	3.659	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccc(F)cc1Br	153739759	SQCKGMSXIUSANC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1cccc(F)c1	154573712	CQNHKGAFYSAAOO-GFCCVEGCSA-N	304.340	3.677	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)Nc1ccc(C#N)cc1	181411480	FGPRGISBMKZQOZ-UHFFFAOYSA-N	317.352	3.564	50	20	DHGD	
Cc1cccc(F)c1NC(=O)[C@@H](Br)C(C)(C)C	274369952	CZCJYXMLNKSRCD-LLVKDONJSA-N	302.187	3.882	50	20	DHGD	
CSSCCNC(=O)C[C@H](c1ccccc1)C(F)(F)F	284073074	MBDFKEKJWZAXAL-LLVKDONJSA-N	323.405	3.850	50	20	DHGD	
C[C@@H](CN(C)C(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	491010010	LFQYSGSTEIDSKF-BRYHAGSVSA-N	320.392	3.561	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)c(OC)c2)c1	491044436	CCNAPDIAOZHNAW-OQLLNIDSSA-N	322.364	3.558	50	20	DHGD	
O=C(/C=C\c1cccc(O)c1)NNc1ccc(C(F)(F)F)cc1	492710234	UHTZWCNZWCCTBA-WTKPLQERSA-N	322.286	3.568	50	20	DHGD	
CC(C)OC(=O)C[C@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	588473407	AMEXWTVTAQZERF-LTKMBJGESA-N	312.413	3.605	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C/c1ccccc1OC)c1ccccc1	588558534	DDJYYNDHUYTBEX-KJCUYJGMSA-N	320.392	3.870	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)c1cccc(N(C)C)c1	730946473	XQXOXNOSZPBBTO-UHFFFAOYSA-N	315.442	3.553	50	20	DHGD	
C[C@H]1CCC[C@H](N2CCC(=NNC(=O)OC(C)(C)C)CC2)C1	733743192	IVPHKVOOYNNXGT-ZFWWWQNUSA-N	309.454	3.542	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)Nc1ccc(N(C)C)cc1	741765395	YIRYGGDTJJPNPH-UHFFFAOYSA-N	316.430	3.554	50	20	DHGD	
CC[C@@H](Oc1cccc(C)c1)C(=O)NNc1ccc(F)cc1F	749529789	AUYZUENOPIQUDV-MRXNPFEDSA-N	320.339	3.574	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)CC1	751516842	NCTCYZMUIIFNFZ-UHFFFAOYSA-N	303.362	3.671	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1cc(Cl)cs1	760469620	SGGYHQCYPHSSKS-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
CCN(CCC(F)(F)F)C(=O)[C@@H](Br)C(C)(C)C	767931914	VVAJONUZGOAVRC-MRVPVSSYSA-N	318.177	3.597	50	20	DHGD	
C[C@H](C(=O)OC[C@@H](C)CBr)c1cccc(F)c1	770386544	AVMISMBJJJTPQI-UWVGGRQHSA-N	303.171	3.503	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2cc(SC)ncn2)cc1Cl	773175950	ILTMXNBQASKBJP-WZUFQYTHSA-N	317.801	3.925	50	20	DHGD	
C=CC[C@@H](C(=O)OC[C@H](C)CBr)c1ccccc1	778430938	XHVGVMHZEXZBMG-TZMCWYRMSA-N	311.219	3.921	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccc2c(c1)OCO2	779758237	RGUGYELRGWBUJY-GFCCVEGCSA-N	304.390	3.593	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)c1cccc(C(F)(F)F)c1	782369123	KWJRQOMWRWEXRU-YHYXMXQVSA-N	308.284	3.952	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ncccc2C)cc1OC(C)C	786030965	KOGWNBZRLLJLET-UHFFFAOYSA-N	314.389	3.634	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/C1CC1)c1ccccc1Br	786680141	VNENXDWQIQRORR-MJWAUXSNSA-N	320.186	3.913	50	20	DHGD	
O=C(NN=C1CCC2(CC1)CC2)c1cccc(Br)c1	792635883	KVJPYPHVIFFZFJ-UHFFFAOYSA-N	321.218	3.889	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1C[C@H](c2ccc(Cl)cc2)C1	793494070	UBOGFYFSCSVKKL-SAZUREKKSA-N	315.804	3.912	50	20	DHGD	
CC[C@@H]1C[C@H](C(=O)NNc2c(C)cccc2C(C)C)CCO1	812766571	RVKVCLISIOYHDD-HUUCEWRRSA-N	304.434	3.767	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(OC(C)C)cc2)cc1	817915271	HFHYMTYJGMYLKG-UHFFFAOYSA-N	314.385	3.629	50	20	DHGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1c(C)cccc1Cl	838533655	NTUWBDHVRNQGIW-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
ClCCCOc1ccc(CNCC[C@@H]2C[C@H]3CC[C@H]2O3)cc1	839162537	AHMGAZSPYPBJAR-KBAYOESNSA-N	323.864	3.742	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H]1C[C@@H](c2ccccc2)C[C@@H](C)C1	840520453	UEYBGAVNTBINDR-CGDAWUBGSA-N	312.413	3.519	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@H]1CC[C@H](C)CC1	846262689	SYSQTNHJKYTMBY-XYPYZODXSA-N	310.829	3.523	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H]([C@@H]2CCCCO2)C1	852594161	AGIQFUHAESTTDE-INFFOHFTSA-N	314.404	3.971	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1ccc(Cl)s1	857514114	JUVGTMMJHPNDNP-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCCC(F)(F)CC1	859534760	NDFCVQYPSLPGEP-LHHJGKSTSA-N	307.300	3.580	50	20	DHGD	
CCOc1cccc(CCC(=O)NNc2ccc(F)cc2C)c1	860321779	WWMGWMVBEKGASM-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
CC(C)(C(=O)N1CC=C(C#N)CC1)c1ccc(C(F)(F)F)cc1	879345880	ZPGWJUNYURFVPC-UHFFFAOYSA-N	322.330	3.665	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@@H]1CCC[C@@H]21)c1ccc(Cl)cc1	916254484	YDIGKTWTUIBASU-BEAPCOKYSA-N	302.805	3.882	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)c1ccc[nH]1	916350584	VDAFATNOGRTVJM-UHFFFAOYSA-N	315.442	3.889	50	20	DHGD	
C[C@@H]1CCC[C@@H](NC(=O)NNc2ccccc2C(F)(F)F)C1	918211600	PPSDCFRANSEFPG-GHMZBOCLSA-N	315.339	3.910	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@@H](C)c2ccccc2)c1	920154316	LWIGGSPKMFPLOZ-MPMPPSQCSA-N	307.349	3.907	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)N[C@@H]1CCCC(F)(F)C1	921540350	SEEYYFVOIIMZPU-SECBINFHSA-N	321.730	3.683	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)C2CCC(F)(F)CC2)cc1	1255641467	NEASFTFXELZHER-UHFFFAOYSA-N	310.344	3.626	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(/C#N)C(=O)CC(C)(C)C)cc2)cn1	1321105074	DICPKCMFQXMLGZ-SXGWCWSVSA-N	307.397	3.999	50	20	DHGD	
CCc1ccccc1CC(=O)NNc1ccc(C)c(Cl)c1	1321703232	VNEHLPKCCWELRY-UHFFFAOYSA-N	302.805	3.897	50	20	DHGD	
O=C(NN=Cc1ccc2cnccc2c1)c1ccccc1Cl	1322140239	KLOPFQDLWYCWAY-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
Cc1cn(CC(=O)OC[C@@H](C)CBr)c2ccccc12	1324064178	KMPHEFVTTXLAKQ-NSHDSACASA-N	324.218	3.524	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)c1ccc([N+](=O)[O-])c(C)c1	1324873384	ZXDMUVVEUJHKFW-RIYZIHGNSA-N	310.309	3.682	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1ccc(F)cc1Cl	1334308040	ZYVQDVNWFGLDFG-UHFFFAOYSA-N	324.743	3.802	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3c(C)cccc3o2)cc1C(=O)O	1600461438	KJXQHSDQOXRHLV-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
O=C(O)c1ccc(C(=O)NN=C2CCC3(CCCCC3)C2)cc1	1776101758	XFARPVPBHYWKAM-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C\c1ccc(/C=C\C(=O)O)cc1	1777465241	ZXEZAEDPPDFUQI-VVDIUWRXSA-N	317.344	3.883	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)Nc1ccccc1OC	78992477	AMLRLAONJHVTMF-RVDMUPIBSA-N	322.364	3.558	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCc2ccc([N+](=O)[O-])cc2C1	88606815	OCNZETDJSSSTKX-QGMBQPNBSA-N	305.337	3.518	50	20	DHGD	
COc1ccc(-c2nc(C)c([C@@H](C)NC=C(C#N)C#N)s2)cc1	113861864	XYUBXMSFPWZXIZ-LLVKDONJSA-N	324.409	3.709	50	20	DHGD	
Cc1cc(NNC(=O)c2ccccc2F)ccc1Br	114889409	FBZWOGPFEJNQHI-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1cc(CCCC(=O)NNc2cccc(F)c2)c(C)s1	154118365	NOZVBZFWWTVMJO-UHFFFAOYSA-N	306.406	3.970	50	20	DHGD	
O=C(CCSc1ccc(F)cc1)NNc1cccc(F)c1	154599874	UBWCAZVRQSFTKS-UHFFFAOYSA-N	308.353	3.590	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccccc1OCc1cccnc1	255073619	MTTRIADFPGDBRS-YVLHZVERSA-N	306.365	3.793	50	20	DHGD	
Cc1oc(C(C)C)cc1C(=O)NNc1cccc(F)c1[N+](=O)[O-]	287298542	ZYKFWOMFAGWHJO-UHFFFAOYSA-N	321.308	3.516	50	20	DHGD	
C[C@H](NS(=O)(=O)CCCCCl)c1cccc(C2CC2)c1	297067901	MSSIWVRUHHBPJD-LBPRGKRZSA-N	315.866	3.563	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC(C)(C)C#N)c1C	588418882	RRVHCFBIKIBAOP-SXGWCWSVSA-N	313.401	3.515	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1sc(C)nc1C	726736103	BYODIWNLDPRWKF-UHFFFAOYSA-N	307.806	3.567	50	20	DHGD	
CCC(=O)NN=C(C)c1sc(-c2ccc(C)cc2)nc1C	727648575	KVYKWGGDJTXJMP-UHFFFAOYSA-N	301.415	3.677	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)C[C@H](C)CC(C)C)c(C)c1	727864227	AJDLTOLSDRMAKH-CYBMUJFWSA-N	321.490	3.693	50	20	DHGD	
O=C(NN=C(Cc1ccccc1)C1CC1)c1c[nH]c2ccccc12	729141349	YJWWFYZBQJKGHK-UHFFFAOYSA-N	317.392	3.906	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cccc2cccnc12)c1ccccc1	731153129	BHWHGNOKONVUHU-UHFFFAOYSA-N	317.392	3.663	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNC(=O)c1cccc2ccccc12	741575730	DOGNGFVEFWQSSQ-CQSZACIVSA-N	324.424	3.817	50	20	DHGD	
C[C@H]1CC(=NNC(=O)C2CCC2)c2cccc(Br)c21	743442468	XQNVWVBTBMHQMK-VIFPVBQESA-N	321.218	3.577	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NNc1ccc(Cl)nc1	743815764	ICQQWZPTCYFMIX-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1cc2cc(C=NNC(=O)CNc3ccccc3)oc2cc1C	749812638	PZNPPCQHIDLLHK-UHFFFAOYSA-N	321.380	3.612	50	20	DHGD	
O=C(NN=C[C@@H]1CCOc2ccccc21)c1cccc(Cl)c1	752158128	KETCLFICPICSGC-ZDUSSCGKSA-N	314.772	3.622	50	20	DHGD	
CC1(C)CCC[C@H](C=NNC(=O)CCc2ccccc2O)C1	752730280	MBMSAGVYGWABIN-AWEZNQCLSA-N	302.418	3.643	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc(Cl)c(C(F)(F)F)c1	754704688	FLKGOQWTYUWGHJ-UHFFFAOYSA-N	318.726	3.999	50	20	DHGD	
CC1=C(C(=O)NN(c2ccccc2)c2ccccc2)CCCO1	755449896	KDYGMJQDAMPUQD-UHFFFAOYSA-N	308.381	3.940	50	20	DHGD	
COCCC(=NNC(=O)c1c(Cl)cccc1Cl)C(C)C	756826570	JOPFWAQKKGFTGZ-UHFFFAOYSA-N	317.216	3.772	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	764638848	BFGAOPDVSDSQIG-CQSZACIVSA-N	303.362	3.527	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)C(C)C	765008902	FUMKRNYJLGPIBM-NSHDSACASA-N	313.785	3.764	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1ncnc2ccsc12	766672809	AUWBHEMRYOISCI-UHFFFAOYSA-N	318.446	3.885	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)CCc1ccccc1	767379778	MXKFYRDXHPIBJM-UHFFFAOYSA-N	300.789	3.731	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc(C#N)c2)C[C@H]1c1ccccc1	768484311	HRMCPYBQCCSUOA-KRWDZBQOSA-N	317.392	3.858	50	20	DHGD	
C[C@@H](C(=O)NNc1nc2ccccc2[nH]1)c1ccc(Cl)s1	768516576	YDVZYANXACHSRP-MRVPVSSYSA-N	320.805	3.525	50	20	DHGD	
Cc1cscc1NC(=O)NNc1nc2ccccc2s1	770073500	IZCWYVANUKGRAQ-UHFFFAOYSA-N	304.400	3.815	50	20	DHGD	
CC(C)[C@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	776612712	FCGWRVWEWZLFCN-WPNIOXTASA-N	320.392	3.813	50	20	DHGD	
CCC(=CC(=O)NNc1nc2ccc(OC)cc2cc1C)CC	778482918	GVHAREFIMPYDSK-UHFFFAOYSA-N	313.401	3.741	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)C1C[C@@H](C)C[C@H](C)C1	779898047	ZYBHWCRFECNLAM-QWRGUYRKSA-N	307.346	3.581	50	20	DHGD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@@H](Br)C(C)(C)C	781073299	FZUPUTNEKIKIKW-IJLUTSLNSA-N	304.272	3.833	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCCSc1ccc(Cl)cc1	786668760	IKHJCGWEKAVOBE-FMIVXFBMSA-N	307.802	3.835	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@@H]1CC[C@@H]2CCCC[C@@H]2C1	786780942	PFMHLGNHMYEXNF-NUVVOHMVSA-N	324.424	3.774	50	20	DHGD	
COc1ccc(NNC(=O)C[C@@H](C)c2c[nH]c3ccccc23)cc1	787887306	XUYQWBJRSMUXJW-CYBMUJFWSA-N	323.396	3.813	50	20	DHGD	
CSc1ccc(Cl)cc1NC(=O)NNc1ncccc1C	792269959	XCXRAKPRFABKKC-UHFFFAOYSA-N	322.821	3.914	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=Cc2ccc3occc3c2)c1	794868650	OOYHCRZCLWSLDL-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1noc2ccccc12	794949711	ROMAFAJSMOYHRZ-UHFFFAOYSA-N	323.396	3.945	50	20	DHGD	
CC1(C)CN(/C(=C\C#N)c2ccccc2)C[C@H](C(F)(F)F)O1	795066503	ULPDJUVPOGUBDC-YLHGKKIISA-N	310.319	3.593	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@H]1C[C@H](c2cccc(F)c2)C1	798116445	OZCFVRJPHHHBMD-YGUOUDRMSA-N	317.339	3.537	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCC2)c1coc(C(C)C)n1	799471978	ISRQCANNVVAPCS-UHFFFAOYSA-N	317.414	3.502	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(Cl)ccc1O	799756683	HEHGMSHWHNELLI-UHFFFAOYSA-N	304.777	3.673	50	20	DHGD	
CCSc1cc(C(=O)NNc2c(C)cccc2CC)ccn1	799756814	JPUFKWOSOGXKNF-UHFFFAOYSA-N	315.442	3.821	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc2c(c1)CCC=C2	802829511	QDWYRWZRWSINLM-UHFFFAOYSA-N	315.376	3.951	50	20	DHGD	
C/C(N)=C(/C#N)c1nc(C)c(Cc2ccc(F)cc2F)s1	806553160	IRUPLIKSOUOTEE-XYOKQWHBSA-N	305.353	3.534	50	20	DHGD	
C/C(=C\c1ccccc1Cl)C(=O)NN(C)c1ccccc1	809984360	GREVRQYINGFISC-OUKQBFOZSA-N	300.789	3.911	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H](c2ccccc2)C1	814330814	YLIMFPGKYXQZCS-AWEZNQCLSA-N	310.488	3.587	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)c2c(F)cccc2F)cc1	814998847	AJBQFUVCJMJHFT-UHFFFAOYSA-N	319.311	3.519	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@@H](C2CC2)C(F)(F)F)cc1	836618661	JJVPOZQUBDSDIG-ZDUSSCGKSA-N	315.339	3.777	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@H](F)Cc2ccccc2)cc1	837053476	SWJBTFRTAOEAFN-QGZVFWFLSA-N	300.377	3.834	50	20	DHGD	
COCC1(C(=O)NNc2cc(Cl)ccc2Cl)CCCC1	837488735	OAFXCXNSYNCREW-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
O=C(NN=C1CCC(F)(F)CC1)c1cc(-c2ccccc2)on1	842525345	NRRWMEJFZMTNCE-UHFFFAOYSA-N	319.311	3.637	50	20	DHGD	
O=C(NN=Cc1ccc(-c2cccc(Cl)c2)s1)C1CC1	914693241	QTRXAVHUBZAWEG-UHFFFAOYSA-N	304.802	3.929	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(F)cc1)c1ccc(C)cc1	915902758	IIBJMLBAEFUOLM-MRXNPFEDSA-N	301.365	3.912	50	20	DHGD	
COc1cc2c(cc1/C=C(\C#N)C(=O)c1ccccc1)O[C@@H](C)C2	916545346	GJAPQWOZNDKBDR-YRUBURHZSA-N	319.360	3.808	50	20	DHGD	
COc1cccc(-c2n[nH]cc2/C=C(/C#N)c2ccccn2)c1	918712650	DBYUSBSTHURWNS-ZROIWOOFSA-N	302.337	3.544	50	20	DHGD	
Cc1nc2cc(NC(=O)C3CCC(Cl)CC3)ccc2n1C	1123633261	XZPAGXKGVCQNPX-UHFFFAOYSA-N	305.809	3.618	50	20	DHGD	
O=C(CCl)N[C@@H](c1ccc(Cl)cc1)c1cccs1	1341509563	HYNSZZKVTTVBKY-ZDUSSCGKSA-N	300.210	3.846	50	20	DHGD	
CCCCC(=NNC(=O)c1cccc(C(=O)O)c1)c1ccccc1	1776094729	JBMJVICXZUFAPF-UHFFFAOYSA-N	324.380	3.709	50	20	DHGD	
CCC[C@H](Cl)C(=O)Nc1ccc(C2(NC(C)=O)CCC2)cc1	1786443319	FMGKZBNOVLGJHB-HNNXBMFYSA-N	322.836	3.548	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H]1c1ccncc1	36134337	KQUKGYKVXOZEOO-MRXNPFEDSA-N	300.789	3.798	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1F	67427876	STCOUSUXOSEASH-AYCSXLNKSA-N	308.356	3.919	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)cc1	114991792	FAMCXUGYVPZFLA-VCHYOVAHSA-N	320.392	3.541	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1CCCC[C@@H]1C(F)(F)F	154333275	AROCUNPOQUDVPV-RYUDHWBXSA-N	304.287	3.638	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2cn(C)c3ccccc23)c1	158776469	ZCZPXEJBCVKEND-UHFFFAOYSA-N	321.424	3.871	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1cc(F)c(F)c(F)c1	175477225	PTUCGSKZFSUKNA-UHFFFAOYSA-N	308.303	3.570	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	179175358	KNZILHHLCYPMCQ-YHYXMXQVSA-N	301.239	3.703	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(c2ccccc2)CCCC1	192964777	QNCIWOBJROXTAQ-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(-c2cccc([N+](=O)[O-])c2)o1	193344560	LIDLVPRZLPPSBN-UKTHLTGXSA-N	310.309	3.987	50	20	DHGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)NCCc2ccccc2)c(C)c1	211850851	GMRRKUMIFSZDSI-UYRXBGFRSA-N	318.420	3.878	50	20	DHGD	
O=C(/C=C\c1cnn(CCCl)c1)c1ccc2c(c1)CCCC2	728699238	DFWCUQJXJMXYKC-YVMONPNESA-N	314.816	3.897	50	20	DHGD	
CC[C@H](NNC(=O)C(C)(C)c1ccccc1)c1ccc(F)cc1	738422349	BIHXERHTYGQWPL-KRWDZBQOSA-N	314.404	3.875	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)cc2c1O[C@H](C)C2	741469779	NAUDQTDOHJNGON-CNFOOLDZSA-N	313.397	3.931	50	20	DHGD	
Cc1ccc(F)c(C=NNC(=O)c2ccc(Cl)cc2F)c1	747646955	WEBMMYMJYLPFAO-UHFFFAOYSA-N	308.715	3.691	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc2C1)NNc1ccccc1Cl	748303398	RHDISFUOOJQGLY-ZDUSSCGKSA-N	314.816	3.978	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C(C1CC1)C1CC1	753655862	HBAHYKUTWPVOOQ-UHFFFAOYSA-N	323.234	3.637	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1c(F)cccc1Cl	770311849	DEIUCVPMVIQUHL-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
Cc1cc(C)cc(C2(C(=O)NNc3c(C)cccc3F)CC2)c1	771688824	QZWZJGLYIZFJQE-UHFFFAOYSA-N	312.388	3.926	50	20	DHGD	
Cc1cc(Cl)c(C(=O)NNc2nccnc2C(C)C)cc1C	772830897	OERIOWZQSNWQNT-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(CCC(F)(F)F)cc1	773585287	MUYQQYSDBOTZER-UHFFFAOYSA-N	316.348	3.516	50	20	DHGD	
CCSCCC=NNC(=O)Cc1cccc2ccccc12	781123447	CHIZJXWITDNVCC-UHFFFAOYSA-N	300.427	3.628	50	20	DHGD	
O=C(NN=Cc1ccc2cnccc2c1)c1cccc(Cl)c1	782141898	CZTIEPZZNBLLFX-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC[C@@H](Oc2ncccc2F)C1	785837470	HWHQOHOXHARIJJ-VHWUNXFSSA-N	323.371	3.629	50	20	DHGD	
Cc1cccc(CC(=O)NNc2cc(Cl)cc(Cl)c2)c1	791718105	NEOCYJKOTGZQKX-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cscc1Br	794904777	BXVFUSZIEFFDFU-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
CC[C@@H]1CC[C@H](C)CC1=NNC(=O)c1ccc(OC)c(OC)c1	797397960	MQYUEVBMXBKNSC-QWHCGFSZSA-N	318.417	3.636	50	20	DHGD	
CCc1ncsc1C(=O)NNc1c(C)cccc1C(C)C	812766671	URKZNVQNMUOQIO-UHFFFAOYSA-N	303.431	3.894	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCOC1CCCC1	813043088	CNDJMBAICWEUSQ-UHFFFAOYSA-N	319.449	3.704	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1C[C@H]1c1cccc(Cl)c1	817007069	LQLHNMZPEHBJTN-NWDGAFQWSA-N	322.195	3.635	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1CC2(CCC2)C1	843839116	XQGYLFBOWVKKAL-UHFFFAOYSA-N	316.298	3.868	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@@H]1CCCN1CCCCCO	844347806	NXZMYKSFRQPBKJ-HNNXBMFYSA-N	301.547	3.635	50	20	DHGD	
C[C@@H](CCC(=O)NNc1nc2ccccc2n1C)c1ccccc1	848379152	CQBMZZGONPEMKO-AWEZNQCLSA-N	322.412	3.600	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2cc(C(F)(F)F)nn2C)sc1C	853006535	UHGHPVSKQPYKFA-WTKPLQERSA-N	312.320	3.576	50	20	DHGD	
CC(C)CCOc1ccc(C=NNC(=O)c2ccccc2)cc1	916248928	SGDKIYZDEKXTCP-UHFFFAOYSA-N	310.397	3.875	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CC[C@H]3CCCC[C@@H]3C2)c1	916281181	SCJYADOWMAVBOI-HUUCEWRRSA-N	313.445	3.829	50	20	DHGD	
CCC(=NNC(=O)CNc1ccc(C)cc1C)c1cccs1	916358158	GQXUZWBAXLPEOQ-UHFFFAOYSA-N	315.442	3.707	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(F)c(-c2cccs2)c1	920988409	KOOPDRVDUZZRSR-UHFFFAOYSA-N	305.378	3.597	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H]1CCCC(F)(F)C1	928336749	BCUOROVAXCHFLB-SNVBAGLBSA-N	302.752	3.917	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1cncn1-c1ccccc1	1116193639	AXFIDDXLSBQTNP-AWEZNQCLSA-N	324.428	3.804	50	20	DHGD	
Cc1ccc(-n2nc(-c3ccco3)cc2NC(=O)CCl)cc1	1319682441	RNNLPPYBEWETQB-UHFFFAOYSA-N	315.760	3.618	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccnc2NC(C)C)cc1Cl	1339595593	STGAFOJGIWWSAO-UHFFFAOYSA-N	318.808	3.621	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1ccc2ncccc2c1	1347093793	WAPKDMPBQPSHKL-UHFFFAOYSA-N	322.320	3.979	50	20	DHGD	
Cc1csc(C(=O)NN=C2CCC[C@H](CCCC(=O)O)C2)c1	1600648064	NTVCFOGDPKTESZ-GFCCVEGCSA-N	322.430	3.587	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H](C)c2ccc(F)cc2F)cc1	161798183	HDWDZDOSVQDZBT-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
Cc1ccsc1/C=C(\C#N)C(=O)N(CC(F)(F)F)C1CC1	171982452	ALYILGCQWXJDFD-UXBLZVDNSA-N	314.332	3.517	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccccc1Cl)c1c(C)noc1C	179033994	ZZPQHROVJZILAZ-LBPRGKRZSA-N	322.796	3.722	50	20	DHGD	
CC(C)C[C@@](C)(CN)NC(=O)CCCC[C@@H]1CCSS1	236654661	NVVKRWPFMHTHSZ-HIFRSBDPSA-N	318.552	3.580	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(CN3CCCC3)cc2)c1	298069387	FKMUFHCKNKLULT-UHFFFAOYSA-N	323.440	3.656	50	20	DHGD	
C[C@@H](Cc1ccsc1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490842774	MEQVASBHDDKDPD-ZENNRRHLSA-N	314.385	3.542	50	20	DHGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1ccccc1C(F)(F)F	729624690	WTNGNRPGZSGKRO-MWLCHTKSSA-N	301.312	3.520	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCCC(C)(C)C2)cc1	732968996	KOIKDKJJHCCGKS-VBKFSLOCSA-N	312.413	3.641	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H](C)Oc2cccc(F)c2)c(C)c1	743761689	MWRPINVINAZJSO-CQSZACIVSA-N	316.376	3.662	50	20	DHGD	
CN(C)CCCCN(C)C(=O)CCCC[C@@H]1CCSS1	747400310	XXKOOIDVKDZNMJ-CQSZACIVSA-N	318.552	3.501	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1)C1CCCC1	749521927	GHEKGOHARHFITC-SNVBAGLBSA-N	311.223	3.719	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cccn2C)C[C@H](c2ccccc2)C1	749858450	IYMPNIQTHOUZTK-GOEBONIOSA-N	309.413	3.715	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756787160	GSXWFSMCPDZHKD-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
N#Cc1cc(C(=O)NNc2ccc(Cl)cc2)ccc1Cl	758383354	GYDSOPPDONBGCJ-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
C[C@H]1CC/C(=C/C(=O)NNc2ccc(Br)cc2)C1	762794404	FAFAWVDJNIMUIX-RGAIUGGKSA-N	309.207	3.639	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)c1ccc2ccccc2c1	765573374	KLDTXULKVANPQW-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc3ncccc3c2)ncn1	773174889	AJLNIQUVTLPWKB-RIYZIHGNSA-N	304.378	3.811	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccc(Br)cc1	773454801	DMVSNMAIZZWBHC-LBPRGKRZSA-N	311.223	3.719	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C/c1ccccc1F	777482113	ZEQNKSFYCDUXER-ZHACJKMWSA-N	321.355	3.839	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(Br)n1	777914803	LNBBDQAFLLBFPV-YFHOEESVSA-N	317.142	3.535	50	20	DHGD	
Cc1nscc1C(=O)NNc1cc(Cl)ccc1Cl	781349132	XEXYMBXSDQPXCO-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1csc(Cl)c1	787151883	AERHLQOTVHEIFF-UHFFFAOYSA-N	310.781	3.624	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](c2ccccc2C)C1	790875485	FJDBVQIEKKZNQJ-CYBMUJFWSA-N	310.488	3.505	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccnn2C(C)C)c1C	794874328	XZMKISWTIXBHEM-LFIBNONCSA-N	322.412	3.858	50	20	DHGD	
C=C(CBr)COC(=O)c1c[nH]c2cc(C)ccc12	795463664	GUTOUMORDTXAAF-UHFFFAOYSA-N	308.175	3.584	50	20	DHGD	
C=CC[C@H](NC(=O)NNc1c(C)cccc1CC)c1ccncc1	799589504	RZCRZKQQCYEDJF-KRWDZBQOSA-N	324.428	3.896	50	20	DHGD	
O=C(NN=C1CCCC12CCOCC2)c1ccc(Cl)cc1F	799881247	JLTFOJCUYYLJBR-UHFFFAOYSA-N	324.783	3.546	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)[C@@H]1CCCC(C)(C)C1	805382431	RCCITHDEHOVMLC-GFCCVEGCSA-N	305.378	3.563	50	20	DHGD	
CC(C)CO[C@H]1CCN(CCO[Si](C)(C)C(C)(C)C)C1	808734381	UULDDFZPLBRLQI-HNNXBMFYSA-N	301.547	3.755	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC(C)(CC)C2)c1C	812692317	SOEIIXAGOBBWRM-YVLHZVERSA-N	313.445	3.680	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=Cc2ccsc2C)c1C	814747762	CZVQEAMFLLOUPT-CYBMUJFWSA-N	316.426	3.591	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2cccc(C#N)c2)cc1	827170745	VRROONVCZAASPZ-UHFFFAOYSA-N	323.396	3.883	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCC[C@@H](O)c2ccccc2)c1	830786591	XFGWQAOBNNHEJE-GOSISDBHSA-N	312.413	3.650	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)n2cnc3ccccc32)c1C	840722750	OAKBUHPTFBWDTG-GDNBJRDFSA-N	305.385	3.781	50	20	DHGD	
Cc1noc(C)c1CCN(C)CCO[Si](C)(C)C(C)(C)C	844344065	PVDATQUDEUTFNY-UHFFFAOYSA-N	312.530	3.788	50	20	DHGD	
COc1cccc([C@@H](C)CCCC(=O)NCCCSC#N)c1	854359309	IUDCLPQTVPGKDY-AWEZNQCLSA-N	320.458	3.690	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccnc(Cl)c2)o1	855469728	PWDBJDBGRGEKNT-MFKMUULPSA-N	319.792	3.527	50	20	DHGD	
CNc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)cc1	877018782	AJLBHXDPIVYWJI-VZJVUDMVSA-N	323.234	3.621	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cnn(C3CCC3)c2)cc1	899337879	GZADUNMREZFBLS-YBEGLDIGSA-N	320.396	3.716	50	20	DHGD	
C[C@H](C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1)C(C)(F)F	912583025	VKURGPIQPDXCGS-VXGBXAGGSA-N	321.484	3.900	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCc2ccccc2F)c(C)c1	915908628	CKTZIGQKRKMDDE-UHFFFAOYSA-N	315.392	3.620	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C(CC)C[C@@H](C)CC	915943527	DPXABWFSJPZZAX-AWEZNQCLSA-N	320.433	3.783	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCCC[C@@H]2C)cc1OC	916348741	QSFYYYLOWKBCJI-ZDUSSCGKSA-N	318.417	3.780	50	20	DHGD	
C[C@H]1C[C@H]1CNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	916640508	KZWHULHMULILCT-BQBZGAKWSA-N	322.623	3.929	50	20	DHGD	
CC(C)(C)c1n[nH]cc1C=NNC(=O)c1ccc2ccccc2c1	917546769	HFIRLCMCTOKFHK-UHFFFAOYSA-N	320.396	3.624	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cccc(OCC#N)c2)nc2ccccc21	917620078	RIOLBTCALAENJM-PTNGSMBKSA-N	314.348	3.540	50	20	DHGD	
CC[C@@H](C)[C@H](C(=O)NNC(=O)c1ccccc1C)c1ccccc1	920838260	KPVFQHQSQBKFMR-KDOFPFPSSA-N	324.424	3.586	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1coc(C2CCC2)n1	928337272	NWZKHGBAHZYZPS-UHFFFAOYSA-N	305.765	3.661	50	20	DHGD	
Cc1cc(NNC(=O)C[C@H](C)c2c(C)n[nH]c2C)ccc1Cl	928341115	OWVFAJOFWTUYRG-JTQLQIEISA-N	320.824	3.625	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1cnn(C(C)C)c1C	1116742143	HKRMEUSUNBECMA-UHFFFAOYSA-N	318.808	3.580	50	20	DHGD	
Cc1ccc(F)c(OCC(=O)NNc2ccc(C)c(Cl)c2)c1	1319227412	SWHKVEPBSZQCQD-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1ccc(C)c(Cl)c1	1322537773	YSJSUEGQHUTTRS-INIZCTEOSA-N	317.820	3.982	50	20	DHGD	
Cn1nccc1/C=C(/C#N)C(=O)c1cc(Cl)cc(Cl)c1	49322456	CBYWVTAMHWTEOX-POHAHGRESA-N	306.152	3.517	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)C1(c2ccccc2)CC1	78241937	FJBVWFSCEHLNOQ-UHFFFAOYSA-N	320.314	3.880	50	20	DHGD	
C[C@@H](CCc1ccccc1F)C(=O)NNc1cccnc1Cl	85683593	BELFDROEDVBIQN-NSHDSACASA-N	321.783	3.586	50	20	DHGD	
Cc1cccc(NNC(=O)c2cnn(CC(C)C)c2C(F)F)c1	89485546	ZZXMYKMSXKQAHN-UHFFFAOYSA-N	322.359	3.542	50	20	DHGD	
COc1cc(/C(C#N)=C/c2ccc(F)c(F)c2)ccc1[N+](=O)[O-]	95452287	OOOJOTDIFMFMEV-WUXMJOGZSA-N	316.263	3.946	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1c(-c2ccccc2)nn(C)c1Cl	115961944	BBYGWVKBGIZNPF-LCYFTJDESA-N	313.788	3.873	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(Oc3ccccc3)nc2)c1	120887608	UVDSONDFWBSONH-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1ccc(C(F)(F)F)nn1	124255218	HOIILRFDZYDOHC-JTQLQIEISA-N	318.343	3.545	50	20	DHGD	
Cc1n[nH]c(C)c1[C@@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	133591975	ZMTYBLCWWHUHEU-LLVKDONJSA-N	314.433	3.571	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2c(s1)CCCC2	160909280	VQRVDBOWCZQEOE-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2ccc3[nH]ccc3c2)c1	181483990	UFLXLOZICHVPCK-UHFFFAOYSA-N	311.360	3.691	50	20	DHGD	
Cc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)ccc1N(C)C	182128338	NGYNOADFDPNADB-PTNGSMBKSA-N	323.371	3.746	50	20	DHGD	
Cc1cccc(C=NNC(=O)Cc2cccc3ccccc23)c1	252632031	VORFHGWGZGWZBL-UHFFFAOYSA-N	302.377	3.841	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc2c(cc1OC(F)F)OCO2	266017886	OBHXZTPSTAPJAN-AXNBSVLLSA-N	323.295	3.539	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1ncc(CSC)s1	296034483	VKOHDJVTFQQHDU-XYOKQWHBSA-N	323.487	3.610	50	20	DHGD	
CCCN(N=Cc1c(CC)nn(C)c1CC)C(=O)OC(C)(C)C	495812073	XPTSLTPJONEWLY-UHFFFAOYSA-N	322.453	3.526	50	20	DHGD	
C#CCCCOC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C	727041840	QIJNPDJXTOCTOH-QGOAFFKASA-N	312.413	3.769	50	20	DHGD	
CCCC(C)=NNC(=O)Cc1nc(-c2ccccc2)cs1	730569739	DKOKTBGMYQOAQV-UHFFFAOYSA-N	301.415	3.645	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC(C)(C)C2)c1C	742875455	JERRLHPHPWBKPR-BOPFTXTBSA-N	313.445	3.680	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1c(C)cc(C)cc1C	743765707	ZJVGKBNDWOGNJQ-UHFFFAOYSA-N	310.397	3.934	50	20	DHGD	
Cc1cc(C=NNC(=O)C(C)C)c(C)n1-c1ccc2c(c1)CCC2	744739328	VIDFSUCBZACZRS-UHFFFAOYSA-N	323.440	3.689	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1ccc(F)cc1C	748570170	BRMUUPOAGJJIAN-INIZCTEOSA-N	308.397	3.705	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=Cc2cc(C)sc2C)c1	760232104	YROUSHORPBKZTK-UHFFFAOYSA-N	316.426	3.511	50	20	DHGD	
N#CC1=CCN(C(=O)C2c3ccccc3Oc3ccccc32)CC1	767159693	FYXDYVUTABOBQT-UHFFFAOYSA-N	316.360	3.606	50	20	DHGD	
CCC(CC)N(C(=O)[C@H](Br)C(C)(C)C)C1CC1	767935459	UUWODJSVANIFQR-LBPRGKRZSA-N	304.272	3.976	50	20	DHGD	
CSc1ccncc1NC(=O)[C@H](Br)C(C)(C)C	768238659	SGTBIGZNZJHLCM-JTQLQIEISA-N	317.252	3.552	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cccc(Cl)c1F	770406948	WFGHSGDVVVMWJW-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
CSc1ccc(C)c(NC(=O)NNc2cccc(C#N)c2)c1	776028345	ASSYWWAXAZYSKF-UHFFFAOYSA-N	312.398	3.737	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(Cl)cc2Cl)ccc1O	779538133	WHYCYISPTKEECU-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
Cc1cc(C=NNC(=O)c2cccc3ncccc23)ccc1Cl	779776215	NMFYBIZUFUFVEC-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(Cl)c1OCC	779797906	HBNJHLHDWCNNGO-JLHYYAGUSA-N	307.777	3.989	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@@H]1CCCC[C@H]1C	783864470	UXVLIGUNRHAPHL-KGLIPLIRSA-N	320.458	3.716	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(CC(C)C)cc1	792633799	RIYOZAFZKAXLNS-SFQUDFHCSA-N	305.443	3.964	50	20	DHGD	
CC(C)(C#N)c1ccc(C(=O)NNc2cccc(Cl)c2)cc1	792943153	PWZLUNFPQHHMTE-UHFFFAOYSA-N	313.788	3.898	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	794689566	BWCZGHTYAPLOJR-KPKJPENVSA-N	319.286	3.537	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@H]1C[C@H]1c1cccc2ccccc12	804768189	RDMMMFQFJXUCEG-HOTGVXAUSA-N	321.355	3.621	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	806969997	CBUVGYMCBFBVIG-FPMFFAJLSA-N	307.825	3.785	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(Cl)c(Cl)c1	808247472	BFZXHEKQOKIJEY-UHFFFAOYSA-N	301.000	3.869	50	20	DHGD	
CCOc1ccc(NNC(=O)C(C)(C)c2ccc(C)cc2)cc1	817896331	UPRSYWPIPRHWBH-UHFFFAOYSA-N	312.413	3.815	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C(C)C)nn2)cc1Cl	819013647	FZVSQUHXVIWRSC-MLPAPPSSSA-N	314.776	3.611	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1cc(C(F)(F)F)ccn1	832968404	KSCJZQGJHWCFPZ-ZDUSSCGKSA-N	303.328	3.760	50	20	DHGD	
Cc1ccncc1[C@H](C)NC(=O)NNc1ccc(C(C)C)cc1	838531698	AGFNJWJBCUZFLJ-AWEZNQCLSA-N	312.417	3.901	50	20	DHGD	
Cn1cc(/C=C(\C#N)c2nc(C3CC3)cs2)c(C(F)F)n1	843265469	NQVSSUYKUHWSNS-RUDMXATFSA-N	306.341	3.756	50	20	DHGD	
CC(C)(C)C[C@@H]1C[C@H]1C(=O)NNc1ncccc1C(F)(F)F	844135511	WTGGRANDOMMNDH-VHSXEESVSA-N	315.339	3.616	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)C1(Cc2ccccc2)CCC1	855467744	HHOIJJGAHCEKFE-UHFFFAOYSA-N	315.804	3.591	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1cc(C#N)ccc1Br	855618260	YSIIHKQFDKBDKH-JTQLQIEISA-N	324.222	3.590	50	20	DHGD	
Cc1ccc(NNC(=O)Cc2cccc(OC(C)C)c2)cc1F	856231065	NGNKPYXQLQSJTA-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
N#C/C(=C/c1ccc(F)c2ccccc12)C(=O)C1CCOCC1	865223929	NANONQWPVZSZQN-PTNGSMBKSA-N	309.340	3.882	50	20	DHGD	
Cn1c(/C(C#N)=C/c2cnn(CC3CCC3)c2)nc2ccccc21	899338637	QMKCDHFQMMOPJT-CXUHLZMHSA-N	317.396	3.634	50	20	DHGD	
CSc1cccc(NC(=O)[C@]2(C)C[C@@H]2Br)c1	905290279	ZRTPMJIVSOVDTK-CMPLNLGQSA-N	300.221	3.521	50	20	DHGD	
O=C(CNc1ccccc1F)NN=C1CC[C@@H]2CCCC[C@H]2C1	915920170	OUUYDZGCSADFTR-KBPBESRZSA-N	317.408	3.700	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1cccc(OC2CCCC2)c1	917518648	IFWGIAKQGVUVGU-MHWRWJLKSA-N	312.413	3.687	50	20	DHGD	
CC(CCc1ccc(F)cc1)=NNC(=O)c1ccc(C)cc1O	917549306	VLPREPFHAQIMDK-UHFFFAOYSA-N	314.360	3.578	50	20	DHGD	
CC(C)(C)c1nc(COC(=O)/C(C#N)=C/c2ccccc2)co1	922655384	SWBVNHAFRVRQFK-NTEUORMPSA-N	310.353	3.622	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1ccc(C)c(Cl)c1	1343181258	UFSJJPXILSMEIY-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@H]2CCCCC2(C)C)cc1C(=O)O	1600461900	BTLCLFQJGRGBDY-CYBMUJFWSA-N	318.417	3.743	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2c(F)ccc(C(=O)O)c2F)sc1C	1777489219	DLWLTIDIYXVBHT-UITAMQMPSA-N	320.320	3.801	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(C)c([N+](=O)[O-])c2)c1	7211392	DCPHXPDIWRTICY-OVCLIPMQSA-N	322.320	3.702	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1ccc(OC2CCCC2)cc1	46334030	AIPCDMVNOJMEED-UHFFFAOYSA-N	314.360	3.904	50	20	DHGD	
O=C1OC(=O)c2cc(Oc3ccc(Br)cc3)ccc21	100160885	VCSUQPYEVUODJI-UHFFFAOYSA-N	319.110	3.552	50	20	DHGD	
Cc1ccccc1NNC(=O)c1cccc(Br)c1	120311327	NSQHXSYJXYHBEW-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1ccc(C(F)(F)F)cc1	154447487	XYJKKZFPEMADTJ-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ncccc1Cl	155232283	VRZYRDULHRTXSB-AWEZNQCLSA-N	317.820	3.693	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc2c(c1)CCC2	175418823	RKKOIYSAILUICR-UHFFFAOYSA-N	304.752	3.725	50	20	DHGD	
O=C(NNc1cccc2cnccc12)[C@H]1CSc2ccccc21	178507970	XVONTFBNDJAZCQ-HNNXBMFYSA-N	321.405	3.567	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cnc2ccc(F)cc2c1	179489362	VNEURAIXYZSTGD-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2c(F)cccc2Cl)CCO1	184660176	CYJNRAAZYTUFOS-QWRGUYRKSA-N	314.788	3.518	50	20	DHGD	
COCCC(C)(C)CNC(=O)CCCC[C@@H]1CCSS1	185706571	JIWXCWURRBXLLO-CYBMUJFWSA-N	319.536	3.879	50	20	DHGD	
CCCn1c(C(=O)NNc2cccc(F)c2)cc2ccccc21	188497096	FSYCFPZQNCGIKA-UHFFFAOYSA-N	311.360	3.947	50	20	DHGD	
Cc1cccc([C@H](C)CNC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	194683751	HCQYGXXBLFXRNC-JQFNYASXSA-N	320.392	3.528	50	20	DHGD	
CCn1nc(C)c(C(=O)NNc2ccc(C(C)(C)C)cc2)c1C	272943908	HJOCCFLEWJNUNP-UHFFFAOYSA-N	314.433	3.574	50	20	DHGD	
CCSCc1ccccc1C(=O)NCCSSC	283866665	BUTLZMNEASHGKE-UHFFFAOYSA-N	301.502	3.681	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)c2ccc(C3CCCC3)cc2)n1	289353164	HPICIFGGWFITSG-UHFFFAOYSA-N	310.401	3.508	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(F)cc1Br	293387917	NJPZKINXRWPCMO-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2sccc2Cl)cc1	588600713	HYRJEIFLDKKCLI-MDWZMJQESA-N	316.813	3.933	50	20	DHGD	
CCC[C@@H](CC1CCCCC1)C(=O)NNC(=O)OC(C)(C)C	733252351	PPXPYORDFMAFFT-AWEZNQCLSA-N	312.454	3.929	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C1=CCCC1	753175705	DPNPSDFCZKITQP-UHFFFAOYSA-N	309.207	3.565	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@@H]1c1ccccc1)c1c[nH]c2ccccc12	755486758	AJMDUEITLLKWKN-GOEBONIOSA-N	303.365	3.687	50	20	DHGD	
CCCCCC=NNC(=O)c1ccc(F)cc1Br	755654727	KBXGTHQFGKYZDD-UHFFFAOYSA-N	315.186	3.884	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)SCc2ccccc2)c1	760136876	IZKPBYKMIZWVFC-CYBMUJFWSA-N	318.417	3.899	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccc([N+](=O)[O-])cc1Cl	762003977	YZGYMTQIQGCAOM-SECBINFHSA-N	313.785	3.764	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1ccc2sccc2c1	768494349	BPYVZZXZICEDIH-UHFFFAOYSA-N	308.366	3.535	50	20	DHGD	
CCOc1cc(F)ccc1NC(=O)NNc1c(C)cccc1F	771111561	JHRVFJLRXZFHGG-UHFFFAOYSA-N	321.327	3.821	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1F)c1nc(-c2ccccc2)no1	772807214	QFBMNAHXCRDKEF-OQLLNIDSSA-N	316.295	3.812	50	20	DHGD	
CC/C(=C\C(=O)NNc1nccnc1C(C)C)c1ccc(C)cc1	772859620	FNMYEOPFYSGLRS-NTCAYCPXSA-N	324.428	3.845	50	20	DHGD	
Cc1noc(C)c1/C=C(\C#N)C(=O)c1ccc(OC(F)F)cc1	776268908	WCMBIHNGKQJUMV-KPKJPENVSA-N	318.279	3.683	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1ncccc1Cl	777145303	UGRASVNHIVWBKP-UHFFFAOYSA-N	319.817	3.770	50	20	DHGD	
Cc1cccc(NC(=S)NNC(=O)C2(C)CCCCC2)c1C	781895647	QNSLVQRSAWLDNL-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
CSc1ccc(/C=C(\C#N)C(=O)NCc2cccc(C)c2)cc1	786050651	NNNTYVYADFPZTG-GZTJUZNOSA-N	322.433	3.940	50	20	DHGD	
C[C@@]1(C=NNC(=O)c2c(Cl)cccc2Cl)CCCS1	793005764	ZASJDWQDXFEDTC-ZDUSSCGKSA-N	317.241	3.995	50	20	DHGD	
Cc1cc(NC(=O)NNC(=O)OC(C)(C)C)cc(C)c1Cl	799518773	RDVRUJOJPTWKHZ-UHFFFAOYSA-N	313.785	3.518	50	20	DHGD	
CSSCCNc1nc2cc(C)nn2c2ccccc12	804699278	JSFWIYBVSGBMPT-UHFFFAOYSA-N	304.444	3.614	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCCC2(CCOCC2)C1	808729140	HTWJHGGANQNEPK-UHFFFAOYSA-N	313.558	3.901	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc1C	810197763	UWUDHEASYTYRMW-HIKRXFLSSA-N	312.413	3.606	50	20	DHGD	
C[C@H](CBr)COC(=O)Cc1cccc(Cl)c1F	811334693	ATERTKLXRJOQFB-MRVPVSSYSA-N	323.589	3.596	50	20	DHGD	
CC(C)(C#N)[C@@H]1CCCC1=NNC(=O)c1cccc2ncccc12	814841368	NMCBNOOBXNHWNB-OAHLLOKOSA-N	320.396	3.670	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)c1ccc(O)c(Cl)c1	814849788	KNTNWOCMXOFXAE-UHFFFAOYSA-N	306.793	3.876	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C3CC[C@@H](C)C3)n[nH]2)cc1	814876586	ZNKZVXCVBJVJDL-GFCCVEGCSA-N	310.401	3.545	50	20	DHGD	
CCC(=NNC(=O)Nc1cc(OC)ccc1Cl)c1ccco1	814991448	IYKIOQXNJLNKLB-UHFFFAOYSA-N	321.764	3.877	50	20	DHGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)N(C)CC(Cl)Cl)c1	816629461	NFVKDVXGPSBPBV-VIFPVBQESA-N	324.635	3.678	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@@H]2CCC[C@H]2c2ccccc2)c1	827170486	TYDGAFLEWVEENY-ZWKOTPCHSA-N	305.381	3.585	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@H]1CCO[C@H](C(C)C)C1	830096717	IUMUTSFEJLEVIV-WFASDCNBSA-N	310.825	3.543	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)[nH]1)c1nc(-c2ccccc2)cs1	833064642	TWHDZNSIKKABKH-XYOKQWHBSA-N	321.361	3.901	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCCc3cccnc32)c(Cl)c1	836935680	SJWJZEOBINCJCV-CYBMUJFWSA-N	315.804	3.607	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1ccc(CN2CCCCC2)cc1	840527739	GUJDCDITPZYOKL-UNOMPAQXSA-N	324.424	3.576	50	20	DHGD	
Cc1nc([C@@H](C)N2CCC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n[nH]1	844338046	WQVRHTSEPMDNOF-TZMCWYRMSA-N	324.545	3.660	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2C[C@H]2C2CCC2)ccc1Br	845856074	PCVZQUNQQNAVDZ-QWHCGFSZSA-N	323.234	3.637	50	20	DHGD	
COCCCCC(=O)NNc1ccccc1Oc1ccccc1	846461913	HFZSDWMCCPESTH-UHFFFAOYSA-N	314.385	3.739	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ccc(Cl)cn2)cc1	856093318	GDKVGJLBSGKIFZ-NSHDSACASA-N	303.793	3.544	50	20	DHGD	
Cc1ccc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1C	912585040	NHRHDCASJBFYLX-AWEZNQCLSA-N	322.525	3.570	50	20	DHGD	
O=C(NN=C1CSCc2ccccc21)c1c[nH]c2ccccc12	915939815	RGNOOOOHXBOELS-UHFFFAOYSA-N	321.405	3.549	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)[C@H](Br)C(C)(C)C)c(C)o1	1337488003	NXSFLJYACYOENW-SKDRFNHKSA-N	316.239	3.883	50	20	DHGD	
COc1ccccc1-c1ccc(NCCSSC)nn1	1339712500	XGEQURNSTYPWMD-UHFFFAOYSA-N	307.444	3.575	50	20	DHGD	
CC(C)[C@H]1CCCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045025	HJRYGIJNMZDXRZ-CQSZACIVSA-N	317.389	3.709	50	20	DHGD	
Cc1ccc(NC(=S)NNC(=O)CC2CCCCC2)c(C)c1	6572642	OHLFMACVTHTFOR-UHFFFAOYSA-N	319.474	3.591	50	20	DHGD	
CCOC(=O)NNC(=O)Nc1ccc(C(C)C)cc1C(C)C	92228799	BHVHCOCDJDPBJF-UHFFFAOYSA-N	307.394	3.716	50	20	DHGD	
Cc1cncc(CNC(=O)CCCC[C@@H]2CCSS2)c1	124949417	QUPLMHJSWFEVOK-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1ccc([N+](=O)[O-])cc1Cl	125083736	RCLCBVCZJLKIDC-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
C=CCCO[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	155260355	PQWWPUJDNUXFCG-LBPRGKRZSA-N	315.325	3.635	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CCC[C@@H]1[C@@H](CC)c1ccccc1	159767833	HYFCRHOKXZSXBB-LJONUGOCSA-N	312.413	3.615	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1ccc(F)cc1F	175426032	CVLIEZVDNVEREM-UHFFFAOYSA-N	300.667	3.514	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](C)c1cccc(Cl)c1Cl	178967574	TXKBJTBHPPUQOV-NCXKZPMSSA-N	313.184	3.615	50	20	DHGD	
C[C@@H](c1ccsc1)N1CCN(/C(=C/C#N)c2ccccc2)CC1	185497735	XYQBWTIYGGIHGS-QHBNVQQXSA-N	323.465	3.991	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cccn1-c1ccc([N+](=O)[O-])cc1	208551044	JEEXOIFEXOZGPG-QBFSEMIESA-N	323.352	3.908	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)[C@H]2CCC(=O)c3ccccc32)c1	285455409	ZRBAGADHRHHHRO-KRWDZBQOSA-N	308.381	3.507	50	20	DHGD	
CN(N=Cc1ccc(OC(F)F)c(F)c1)C(=O)OC(C)(C)C	493922619	NKPJMYONUFYCNO-UHFFFAOYSA-N	318.295	3.628	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc2c(c1)Cc1ccccc1-2	725854001	AFBDRFWXIQPTMM-UHFFFAOYSA-N	315.376	3.740	50	20	DHGD	
CCCCC[C@H](C)NC(=O)NNc1ccc(OC(F)F)cc1	726701031	VEXBEAFCZIKRJF-NSHDSACASA-N	315.364	3.883	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C1CCCc2cc(O)ccc21	727685011	VBZMEKNICAHQIC-UHFFFAOYSA-N	322.408	3.572	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)ccc1F	729150874	PIXJWAWJJMTHPN-FLCBXXLXSA-N	300.377	3.736	50	20	DHGD	
CC(=NNC(=O)c1cccc(C#N)c1)C(C)(C)c1ccc(F)cc1	734980196	XVDWRGTUMSDHLS-UHFFFAOYSA-N	323.371	3.781	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2cccc3cnccc23)cc1	748773173	ALNDWGGOZOUJPW-UHFFFAOYSA-N	319.364	3.584	50	20	DHGD	
C[C@@H](CSCc1ccccc1)C(=O)NN(C)c1ccccc1	749183535	KRVNRWQIDQXONZ-HNNXBMFYSA-N	314.454	3.724	50	20	DHGD	
Cn1cc(C=NNC(=O)c2cccc(Cl)c2)c2ccccc21	755526643	OBAADRFHWDGYEZ-UHFFFAOYSA-N	311.772	3.596	50	20	DHGD	
CCC1(C(=O)NNc2cccc([N+](=O)[O-])c2C)CCCCC1	764268207	LKMNBKBNHVDZGR-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1)C1CCCC1	764788799	AOVSONXVBUQOEV-UHFFFAOYSA-N	324.428	3.989	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2c(F)cccc2Cl)cc1	770198708	ZRYURPGOOSRWKM-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cccc(C(=O)OC)c1	780791851	QCFCRJGPKJYWOS-UHFFFAOYSA-N	306.406	3.523	50	20	DHGD	
CC(C)(CC(F)(F)F)NC(=O)[C@H](Br)C(C)(C)C	781807041	NTGFCDHLSFJYHF-ZETCQYMHSA-N	318.177	3.643	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](C)c2ccccc2F)ccc1Cl	790187300	PEUDAJAQYKKBRP-JTQLQIEISA-N	322.767	3.735	50	20	DHGD	
Cc1cccc(C(=O)NN=C[C@@H](C)c2cccc(Cl)c2)n1	794571489	CLIBLVVPHRQWIN-LLVKDONJSA-N	301.777	3.563	50	20	DHGD	
CCCCCOc1ccc(/C=C(\C#N)C(=O)NCC(C)C)cc1	797331278	APDQCDHDHYXGPV-SFQUDFHCSA-N	314.429	3.935	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)[C@@H](C)c1cccs1	798143528	XJPICMPDEHODQB-VIFPVBQESA-N	324.837	3.562	50	20	DHGD	
C#Cc1ccccc1CC(=O)NNc1cc(Cl)ccc1Cl	810466813	ZUNYOPQKGZGNCH-UHFFFAOYSA-N	319.191	3.661	50	20	DHGD	
C[C@]1(NCc2ccc(OCCCCl)cc2)CCO[C@H]1C1CC1	811489252	BLGAYBYEPRAGOP-ROUUACIJSA-N	323.864	3.742	50	20	DHGD	
CC(C)c1cnc(C=NNC(=O)c2cccc3cccnc23)s1	814824518	YOVSQCMRDXXGAI-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCOc1ccc(NNC(=O)/C(F)=C\C2CCCCC2)cc1	817904820	SDCKXFCDKWFMAX-FOWTUZBSSA-N	306.381	3.962	50	20	DHGD	
CC[C@H](C)CC=NNC(=O)Cc1nc(-c2ccccc2)cs1	834936600	AGAIUGUPCORNEH-ZDUSSCGKSA-N	315.442	3.891	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1cnc(Cl)cn1	844343105	BTWKTOOIQSCKBU-UHFFFAOYSA-N	315.921	3.584	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(C)c(F)c1)c1c(C)noc1C	853911066	ORQPSVBSURLTJG-CQSZACIVSA-N	320.368	3.516	50	20	DHGD	
CC(=O)c1c(F)cccc1NC[C@@]1(C)C[C@H]1Br	856785271	HZPYFVVZPFCKOO-DGCLKSJQSA-N	300.171	3.614	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2cccc(C)n2)cc1C	861620608	HPZNUISGNHLQGR-UHFFFAOYSA-N	314.389	3.636	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN1CCC(c2ccc3cccnc3n2)CC1	895212413	XYYJSUCJBUTORP-MJEQTWJJSA-N	315.848	3.683	50	20	DHGD	
CCC(CC)NC(=O)/C(C#N)=C\c1cc(C)n(CC(C)C)c1C	912722381	BYOJRBPQUONXJK-YVLHZVERSA-N	315.461	3.973	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc3cccc(OC)c3o2)cc1	916327631	LFYGHECFPUGQSN-UHFFFAOYSA-N	322.364	3.768	50	20	DHGD	
CC(C)(C)OC(=O)COC(=O)CCCC[C@@H]1CCSS1	916602292	JKPJRFFLQVDXRK-LLVKDONJSA-N	320.476	3.585	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(Cl)cc1C)c1ccncc1	920177268	HDRNBHUZSMYSIE-AWEZNQCLSA-N	318.808	3.821	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc2c1CCCC2)c1cccc(O)c1	935022650	JTEDJHNVLBJBSF-CYBMUJFWSA-N	310.397	3.518	50	20	DHGD	
Nc1ccc(C(=O)NN=CC2CCC(c3ccccc3)CC2)cc1	1256543797	VDBLWLNITJIZDU-UHFFFAOYSA-N	321.424	3.958	50	20	DHGD	
C[C@@]1(c2ccc(C(F)(F)F)cc2)CCCN1C(=O)CCl	1261845946	SQIAKGXHNUUEDH-ZDUSSCGKSA-N	305.727	3.782	50	20	DHGD	
O=C(N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2)c1cccc(CCl)c1	1346934220	MUMQFHCCIRXHIU-BZUAXINKSA-N	319.832	3.503	50	20	DHGD	
O=C(NCC[C@@H]1CCC2(CCC2)O1)c1cccc(CCl)c1	1353810718	PRRTYTJAGVBQQX-HNNXBMFYSA-N	307.821	3.647	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(Br)ccc2F)c1	72514291	ZCGRRPWSLJSBDM-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCC1CCOCC1	112151472	NNPHTYDAHWHRCO-ZDUSSCGKSA-N	304.477	3.670	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C)n(C(C)C)c1C	119006917	SOLNZEARMCRQGB-UHFFFAOYSA-N	303.381	3.890	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ccc(C(F)(F)F)cn2)CC1	131666195	ITLQVEZXILQNIW-UHFFFAOYSA-N	313.323	3.680	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3c2OCCCO3)cc1	154297425	RLIALCNOVKIGMC-SFQUDFHCSA-N	319.360	3.946	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(F)c(C(F)(F)F)c1	158752049	KNZILHHLCYPMCQ-BJMVGYQFSA-N	301.239	3.703	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)Nc1ccccc1Cl	172814928	WCDXEAUDCZLVGQ-UXBLZVDNSA-N	303.774	3.651	50	20	DHGD	
Cc1cc(C(=O)NNc2cccc3cnccc23)cc(C)c1F	179191417	UEKOAHREXROWRY-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccnc(F)c1)c1ccc(C)cc1	182463841	WUVACAFYKHDQJN-ZDUSSCGKSA-N	301.365	3.556	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1cc(F)c(F)c(F)c1	183290921	KBRKNDBYIIEUJF-BJMVGYQFSA-N	320.245	3.789	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccccc1OCC1CC1	184303325	QSWKEROTCKDTNI-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2cccc3c2OCO3)c1	193691937	RSDPWVFMNGTEMR-CXUHLZMHSA-N	305.333	3.822	50	20	DHGD	
COCc1cccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1	255056638	JQINNFWKYHOXMJ-WQRHYEAKSA-N	320.392	3.996	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@H]2c2ccc(Cl)cc2Cl)CC1	271104107	KXCPXWCGHZAFBI-UONOGXRCSA-N	321.207	3.779	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](C)c1ccc(F)c2ccccc12	491011000	NNJNYOTXYFHIEQ-NPRUJURCSA-N	312.344	3.600	50	20	DHGD	
CCC(=NNC(=O)c1cccc(C#N)c1)c1ccc(Cl)cc1	728784869	MVUAATWJNQUPAQ-UHFFFAOYSA-N	311.772	3.756	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)C(C)(C)c1ccccc1)CC(C)(C)C	731174664	FEPGVLYVXOBMND-AWEZNQCLSA-N	318.461	3.574	50	20	DHGD	
C[C@@H]1CCC[C@@H](CC(=O)NNc2cc(F)c(F)cc2F)C1	734552389	VTPYBDRYHOKKEA-NXEZZACHSA-N	300.324	3.763	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1c(F)cccc1F	735694829	WCCBZAWDOMFQFP-UHFFFAOYSA-N	320.339	3.757	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)C23CC4CC(CC(C4)C2)C3)C1(C)C	736427098	KOLPZGXWZPIXNX-QAQURRIXSA-N	318.461	3.510	50	20	DHGD	
CC[C@H](NNC(=O)c1ccccc1C)c1ccc(F)cc1F	738414814	AIQPPEWASQQLRA-INIZCTEOSA-N	304.340	3.659	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OCCCF)c(C)n1CCC(C)C	741445141	OCVWPIUVATUAGA-BOPFTXTBSA-N	320.408	3.961	50	20	DHGD	
O=C(/C=C\Sc1ccccc1)NNc1ccc(F)c(F)c1F	748215642	NIFWFCQGFCUKSA-HJWRWDBZSA-N	324.327	3.853	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1cc(OC)cc(OC)c1	748244930	VATSMDIBHXLNLM-GFCCVEGCSA-N	306.406	3.636	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(F)cc2C)cc1	750899696	FEGOEXFCGNMDJY-LICLKQGHSA-N	315.369	3.781	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)c2cc3ccccc3o2)s1	758377700	BQMWYNVEXAYFCF-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
CC(CCc1ccsc1)=NNC(=O)c1ccc(C)cc1O	764905654	ZBYZZVVMACBBSG-UHFFFAOYSA-N	302.399	3.501	50	20	DHGD	
COc1cccc(COC(=O)[C@@H](Br)C(C)(C)C)c1	766748042	WGBLPWYVFQUEJE-GFCCVEGCSA-N	315.207	3.548	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2c(F)cccc2Cl)cc1C	770196503	GSSLQRKLCOHRKE-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2ccc3ccccc3c2)c(F)c1	772839385	DCOGGKPLYQCVEP-UHFFFAOYSA-N	317.323	3.614	50	20	DHGD	
C[C@H](Oc1cccc(Cl)c1)C(=O)NN=C[C@H]1CC=CCC1	773092707	BIRFIKVRTQAODK-STQMWFEESA-N	306.793	3.566	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2cc(F)c(F)cc2F)c1	775389141	HRKOPFPJRSTKHT-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
CCCC(=NNC(=O)COCc1ccccc1)c1ccsc1	785453826	MLUAVGCLQQUFNA-UHFFFAOYSA-N	316.426	3.585	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC3(CCCCC3)CC2)n1	786036410	AVTYVRJNHANGRO-UHFFFAOYSA-N	319.474	3.991	50	20	DHGD	
CSSCCNC(=O)N1C[C@@H](c2ccc(C)cc2)C[C@H]1C	790897668	YVSVJVCYMRVGQX-HIFRSBDPSA-N	324.515	3.894	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)Nc1ccn2ccnc2c1	798139468	BDLGVERYUSXFHN-CYBMUJFWSA-N	321.471	3.987	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccc(F)cc1F	799754485	JUSUAKPLDWWSPB-UHFFFAOYSA-N	304.340	3.521	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCN(C)c2ccccc21	799755173	UKSIYXSDJPSWOH-QGZVFWFLSA-N	323.440	3.624	50	20	DHGD	
Cc1nc(CN(C)CCO[Si](C)(C)C(C)(C)C)cs1	808712228	AYIQBFYNPBBOMT-UHFFFAOYSA-N	300.544	3.905	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1C#N)c1nc(-c2ccccc2)no1	811688208	NIBNFOLHBQMGHI-ZROIWOOFSA-N	316.295	3.812	50	20	DHGD	
Cc1ccccc1C(NS(=O)(=O)CCl)c1ccccc1C	831104937	IJLGVEHSCNHKKR-UHFFFAOYSA-N	323.845	3.509	50	20	DHGD	
CC[C@@H](C)[C@H](C(=O)NNc1ncc(F)cc1F)c1ccccc1	837206937	QATVXAVSMKSMBJ-ABAIWWIYSA-N	319.355	3.633	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)nc(C3CC3)c2)c1	847601714	DBKDMSCWTNZIEA-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C[C@@H](O)c2ccccc2)C1	852523029	TXFJCIQVPAWNFC-DLBZAZTESA-N	321.537	3.816	50	20	DHGD	
CC(C)[C@H](C(=O)NN[C@@H](C)C(F)(F)F)c1cccc(Cl)c1	862310778	FPXMURATEJEENJ-CABZTGNLSA-N	322.758	3.651	50	20	DHGD	
O=C(NNc1ccc(F)c(Cl)c1)C1CCC(F)(F)CC1	863081403	IYDKAEDMOKJWAD-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
COc1cc(Cl)c(/C=C(/C#N)C(=O)C(C)(C)F)cc1OC	864366467	SKLVDULIAMACBY-YHYXMXQVSA-N	311.740	3.581	50	20	DHGD	
COC1CCC(CC(=O)NNc2cc(Cl)ccc2F)CC1	871271611	SFSPOHOFWMGZCJ-UHFFFAOYSA-N	314.788	3.518	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2cscc2Cl)C[C@H]1Br	880975037	KXWJJVMEIVORBP-SCZZXKLOSA-N	323.643	3.697	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(C3CCCCC3)cc2)nc1	899663529	FNRYBWAGWUSTBN-UHFFFAOYSA-N	320.396	3.758	50	20	DHGD	
C[C@@H]1C[C@H](c2ccccc2)CN1C(=O)[C@@]1(C)C[C@@H]1Br	906710912	QSCGKCTXKUBGKA-DSRCVFDASA-N	322.246	3.565	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(Cl)c1)NC1CCCCC1	916299671	RCMDVQBLFBSVKK-UHFFFAOYSA-N	314.216	3.959	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC[C@@H](C)C2CC2)c1C	920030731	ZQGNPYDZPIHJIE-CCOVPTLTSA-N	313.445	3.584	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1cnn(CC(C)C)c1C	928340388	QQNPEHVSSXUVSV-UHFFFAOYSA-N	320.824	3.566	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCC2)cc1)c1ccc([N+](=O)[O-])cn1	1261210887	COSYVLTWMASWLI-RVDMUPIBSA-N	320.352	3.654	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)c1nc(N)c2ccccc2n1	1320276066	FZAGXZQFVADDSE-YRNVUSSQSA-N	322.755	3.635	50	20	DHGD	
C[C@@H](C(=O)NN(Cc1ccccc1)c1ccccc1)n1cccc1	1323155214	SQZLGQFYVUAGNS-KRWDZBQOSA-N	319.408	3.787	50	20	DHGD	
Cc1csc(C(=O)NNc2c(Cl)cccc2Cl)n1	1323947289	DVYULHBXPVPUOG-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
COC1CCC(CC(=O)NNc2ccc(C)c(Cl)c2)CC1	1324499428	SYGRKCBPCRZIQP-UHFFFAOYSA-N	310.825	3.687	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNC(=O)c1ccccc1Cl	1328864001	NIZJMZHDGJRGBK-UHFFFAOYSA-N	310.825	3.708	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)s1	121763132	MOYMGCMGEDDSMJ-LCYFTJDESA-N	312.394	3.919	50	20	DHGD	
C[C@@H]1CCc2nc(NC(=O)NNc3ccc(F)cc3)sc2C1	146221979	SKTAZPIJJWGALM-SECBINFHSA-N	320.393	3.556	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1nc(C(F)(F)F)cs1	152829087	OIOQZJSHYJYLSL-UHFFFAOYSA-N	321.368	3.966	50	20	DHGD	
I[C@@H]1CCCCCC[C@@H]1OCC1CC1	158085589	ZBHRIBVGHPUBCJ-NEPJUHHUSA-N	308.203	3.939	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccnc1Cl	159739682	IKQFCDNKILVXFP-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)/C=C/c2ccc(C(C)(C)C)cc2)n1	193261343	VKOSOXZCTWLFHX-DHZHZOJOSA-N	324.428	3.547	50	20	DHGD	
CC(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	193377312	OZBNIOBENNFIQM-DHDCSXOGSA-N	308.312	3.574	50	20	DHGD	
O=C(/C=C\c1ccco1)NNc1cc(C(F)(F)F)ccc1F	254884597	HLPCGXCUGCWDIK-XQRVVYSFSA-N	314.238	3.594	50	20	DHGD	
C[C@H](NC(=O)CCCC[C@H]1CCSS1)c1ccccn1	263768745	SSCMQKAMKDTCTG-STQMWFEESA-N	310.488	3.973	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2ccc(Cl)c(F)c2)C1	280113755	AXBRIOYUQJFYKB-CMPLNLGQSA-N	314.788	3.518	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)cc1F	588597312	GJVBVTXCWZEHKE-QCDXTXTGSA-N	317.266	3.902	50	20	DHGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)c1cccc(F)c1	588597488	RLVCSAWNFXZVRE-WCIBSUBMSA-N	302.286	3.585	50	20	DHGD	
CN(C)c1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1F	727827961	QJTRXUWSIKIENZ-UVTDQMKNSA-N	316.376	3.675	50	20	DHGD	
C[C@H]1CCCC1=NNC(=O)CSc1nc2ccccc2s1	729140244	CGUITUGVGHNAGB-JTQLQIEISA-N	319.455	3.681	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(Cl)c1)C(=O)c1ccccc1	732754167	QQPDGPDDLFUNOG-LBPRGKRZSA-N	316.788	3.692	50	20	DHGD	
CCCCCC[C@H](CC)C(=O)NNC(=O)c1ccccc1F	734990233	FCIIKKIEZPJNOS-ZDUSSCGKSA-N	308.397	3.583	50	20	DHGD	
Cc1cc(NNC(=O)[C@H](CC2CCCCC2)C(C)C)nc(C)n1	736716160	FMTRLUDKZJTSQX-MRXNPFEDSA-N	318.465	3.779	50	20	DHGD	
O=C(NN=C1CCC[C@@H](C2CC2)C1)c1cccc2ncccc12	737431292	FPWZTIYAPXAIPY-CQSZACIVSA-N	307.397	3.921	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1	741474331	XINBOOLBJOYUFW-UVTDQMKNSA-N	304.353	3.729	50	20	DHGD	
CCCC[C@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)nc1	745800328	ZMHGDDZJTURMHD-WCQYABFASA-N	310.829	3.720	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCSc1ccccc1F	748551635	MKPGSDMENRFWJD-UHFFFAOYSA-N	322.380	3.899	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cc(-c2ccccc2)ccc1O	749442801	GHXXBLJEVRGFBI-UHFFFAOYSA-N	312.369	3.918	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1ccccc1C(=O)OC	752755113	LHOYICALZZESCX-CYBMUJFWSA-N	306.406	3.523	50	20	DHGD	
COc1ccc(C(=O)NN=CC2CCC(C)(C)CC2)cc1OC	764653557	HMZRMKMUJJQCEA-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2nc3ccccc3[nH]2)s1	768512393	KAQUJLUVWNXGDK-UHFFFAOYSA-N	314.414	3.679	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1cc(F)cc(Cl)c1	770595530	FQBWFWZVCPWNST-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@@H]2C(C)C)c1C	775899852	LTTWRIOOZZNUCR-ZKTNYTPDSA-N	313.445	3.679	50	20	DHGD	
COC[C@@H](NC[C@@H](C)CBr)c1ccc(Cl)cc1	785963828	IOKBLAQKIKVZRL-GXFFZTMASA-N	320.658	3.648	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cc(F)ccc2C)c1	786056215	NOHBMSZHSGJUDM-RQZCQDPDSA-N	308.356	3.666	50	20	DHGD	
CSSCCNC(=O)NCc1ccc(C)cc1SC	790781637	VUNUVBVSZIPSGB-UHFFFAOYSA-N	316.517	3.527	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1c2ccccc2CC[C@@H]1C	790875355	JKXGQDSLXZOHKJ-FZMZJTMJSA-N	310.488	3.620	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NN=CC1CCCCC1	794775954	IAPIBQIUEVRGNR-UHFFFAOYSA-N	310.397	3.901	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(Br)c1)C(=O)c1ccoc1	798230076	KNDUKXXBBLSYCA-WZUFQYTHSA-N	320.117	3.971	50	20	DHGD	
C[C@H](Cc1cncc2ccccc12)C(=O)NN(C)c1ccccc1	806343917	BEMXYJSECNVMFN-OAHLLOKOSA-N	319.408	3.581	50	20	DHGD	
CC(C)SCCNC(=O)NNc1cc(Cl)cc(Cl)c1	807573215	GLQVJFNZNQNRIH-UHFFFAOYSA-N	322.261	3.761	50	20	DHGD	
C/C(=C/c1ccc(C)cc1)C(=O)NNc1ncccc1Cl	810405897	QJDFOYIKDAISSD-BENRWUELSA-N	301.777	3.590	50	20	DHGD	
Oc1ccc(CNCc2ccc(OCCCCl)cc2)cc1F	811482430	XHHAVFWUDBQWRV-UHFFFAOYSA-N	323.795	3.829	50	20	DHGD	
Cc1ccc(CNC(=O)NNc2c(C)cccc2C(C)C)cn1	813036121	QXZQOSCETABRNV-UHFFFAOYSA-N	312.417	3.648	50	20	DHGD	
O=C(CCCc1cccnc1)NNc1ccc(C(F)(F)F)cc1	830796899	HBZQWFPUEGPYSE-UHFFFAOYSA-N	323.318	3.566	50	20	DHGD	
COc1cccc(OC)c1C(=O)NNc1ccc(C(C)C)cc1	837053383	RXXUFIAQJPNRGN-UHFFFAOYSA-N	314.385	3.584	50	20	DHGD	
O=C(Cc1cccc2ccccc12)NN=Cc1ccc(F)c(F)c1	839423834	AWLQMGNKBOTNFT-UHFFFAOYSA-N	324.330	3.811	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCc1scnc1C	841025394	XEBXVSUHNLIGLO-UHFFFAOYSA-N	320.370	3.515	50	20	DHGD	
Cc1cc(NNC(=O)C2CC3(CCC3)C2)ccc1Br	843832625	CTNXSABICLAZTI-UHFFFAOYSA-N	323.234	3.781	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc(Cl)nc(C3CC3)c2)c1	847602302	WRPGLNASULMYTR-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
N#CSCCCNC(=O)CCc1c(Cl)cccc1Cl	854363776	MNDWVOUKJHIGMP-UHFFFAOYSA-N	317.241	3.647	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@@H](C)CC)c1C	865947188	PQSOQRLFHFAQMU-HNEYUBDGSA-N	301.434	3.727	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H](c1cccnc1)C(C)C	885127043	KWCNPSWGNKWKFK-MRXNPFEDSA-N	317.820	3.926	50	20	DHGD	
O=C(NN=C1CCOc2ccccc21)C12CC3CC(CC(C3)C1)C2	916308296	DGQDTDYQYVPHFY-UHFFFAOYSA-N	324.424	3.506	50	20	DHGD	
O=C(NN=Cc1cccc(F)c1)c1cc2c(s1)CCCCC2	916370070	SSBRWMPGZAUIOA-UHFFFAOYSA-N	316.401	3.920	50	20	DHGD	
CN(C)c1ccc(C=NNC(=O)c2cccc3ccccc23)cc1	916657306	LZJFZLXODNPZOP-UHFFFAOYSA-N	317.392	3.670	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(C)cc1)c1ccc(C)s1	917028911	XKYQEUXQSSDXPQ-UHFFFAOYSA-N	318.467	3.997	50	20	DHGD	
CCCCc1oc2ccccc2c1/C=C(/C#N)C(=O)NC1CC1	917210036	CZMXDUFJCKZOPV-QBFSEMIESA-N	308.381	3.961	50	20	DHGD	
CC(=NNC(=O)NC1CCCCC1)c1nc2ccccc2s1	917569392	XWFOMQOIBUMWFM-UHFFFAOYSA-N	316.430	3.652	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)C(=O)c1cc(C)cc(C)c1	1251188694	LLBANYDRCLLLJY-CXUHLZMHSA-N	307.349	3.808	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)NC1CCCC1	1318027037	UYJOENMRFYQXMM-UHFFFAOYSA-N	313.426	3.991	50	20	DHGD	
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNc1ccccc1	73070876	VCSVBTUUALMYQW-LLVKDONJSA-N	306.818	3.964	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)C1=CCCCCC1	132193035	JVKJZJFOBAOXIY-UHFFFAOYSA-N	300.189	3.722	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc(C)cc(Br)c2)c1	138594277	RZJGPHJUFXGXOK-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCc1sc(C(=O)NNc2cc(F)cc(OC)c2)cc1C	157120160	WPAVSQVVZHWIDA-UHFFFAOYSA-N	308.378	3.524	50	20	DHGD	
O=C(CC1CCSCC1)NNc1cccc(C(F)(F)F)c1	157122237	KWUAIBOUPLTQKW-UHFFFAOYSA-N	318.364	3.682	50	20	DHGD	
CSc1ccc(O[C@H](C)C(=O)NNc2ccc(C)cc2)cc1	158895052	QWEHYBLHMQFCGJ-CYBMUJFWSA-N	316.426	3.628	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)C(=O)Nc2cccc(C)c2)c1C	160693362	IKIUMNFVJRCQTD-WJDWOHSUSA-N	322.412	3.764	50	20	DHGD	
CCC(=CC(=O)NNC(=O)c1ccc(Cl)cc1Cl)CC	164391362	DSVPVISNCZGHTA-UHFFFAOYSA-N	315.200	3.501	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)s2)cc1	176401285	DVJUYXXOXPKYRP-UKTHLTGXSA-N	307.378	3.728	50	20	DHGD	
O=C(CC(c1ccccc1)c1ccccc1)NNc1ccccn1	181225463	HIBVLFSALBIXMO-UHFFFAOYSA-N	317.392	3.747	50	20	DHGD	
O=C(NNc1ccncc1)Nc1cccc(-c2cccs2)c1	183078375	QWXDOZLESUDAQA-UHFFFAOYSA-N	310.382	3.959	50	20	DHGD	
N#C/C=C(/c1ccc(F)cc1)N1CC[C@]2(C1)OCc1ccccc12	186598401	OWSLBRHEEHTPGV-RYSHMOLBSA-N	320.367	3.822	50	20	DHGD	
C[C@@H](c1ccccc1)N(C1CC1)S(=O)(=O)CCCCCl	285352291	PSNKFUXTJKQFMQ-ZDUSSCGKSA-N	315.866	3.561	50	20	DHGD	
CC(F)(F)CCNC(=O)NNc1cc(Cl)ccc1Cl	297678851	POUAHZVNALHKOV-UHFFFAOYSA-N	312.147	3.665	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)NNc1cccc(NC(C)=O)c1	297993176	ZBFSIWZXCMEACO-CYBMUJFWSA-N	320.437	3.630	50	20	DHGD	
Cc1cc2n[nH]cc2cc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	491162997	VAYSZINKKXPZLB-NTUHNPAUSA-N	320.327	3.556	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cc(C(F)(F)F)ccc1F	733204753	XNSIQTAALIRXEX-UHFFFAOYSA-N	304.287	3.731	50	20	DHGD	
O=C(CCCc1ccccc1)NNc1nccc2sccc12	734248804	WZECGAVWWIWWGF-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNC(=O)C1CCCC1	734317890	FASKSNWWLMBVLF-MRXNPFEDSA-N	308.466	3.567	50	20	DHGD	
CC(=NNC(=O)c1cccc(Br)c1)c1ccsc1	741767639	KXDAIFAVLBUHFF-UHFFFAOYSA-N	323.215	3.665	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(Cl)nc1)c1ccc(F)cc1	743818364	VEDNEBUKEZUINP-SNVBAGLBSA-N	307.756	3.511	50	20	DHGD	
O=C(Cc1cc2ccccc2o1)NNc1ccc(Cl)c(F)c1	748878600	RQJVQVLSFKLVJW-UHFFFAOYSA-N	318.735	3.911	50	20	DHGD	
C[C@H]1CC[C@@H](C)N1[C@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	750797256	XKYOGQBZZPYKEC-PTVVTNIBSA-N	309.457	3.888	50	20	DHGD	
COCC(=O)NN=C(C)c1ccc(-c2ccc(Cl)cc2)s1	761822011	RQUAQLWDCKXZFJ-UHFFFAOYSA-N	322.817	3.555	50	20	DHGD	
Cc1cc(N(C)C)cc(C)c1NC(=O)NNc1ccccc1F	770073265	GYOBORQYADUJJF-UHFFFAOYSA-N	316.380	3.657	50	20	DHGD	
CC[C@@]1(C)COCCN1C(=O)CCCC[C@@H]1CCSS1	771375655	SBMAVOMPJOWHTN-HIFRSBDPSA-N	317.520	3.728	50	20	DHGD	
C[C@@H](CNC(=O)/C(C#N)=C/c1ccc(F)cc1)c1ccccc1	785047397	YEPTUCWYLIKICI-MPMPPSQCSA-N	308.356	3.653	50	20	DHGD	
Cc1ccc2nc(/C=C(\C#N)c3nc4ccccc4n3C)cn2c1	789131436	XYOSVXJPZGDYGB-NTEUORMPSA-N	313.364	3.594	50	20	DHGD	
CCCN(CCc1cccs1)C(=O)NCCSSC	790879194	QMBUILOLGDNYGZ-UHFFFAOYSA-N	318.533	3.723	50	20	DHGD	
O=C(CCSCc1ccccc1)NNc1cccc(F)c1	792258696	IAORHUJCHCHBPD-UHFFFAOYSA-N	304.390	3.592	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(F)c1Cl	795534234	LYDFLNKFLAKFJS-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
CC(CC(C)(C)c1c[nH]c2ccccc12)=NNC(=O)c1ccc[nH]1	799474469	JWFACHVTKFCKTM-UHFFFAOYSA-N	322.412	3.970	50	20	DHGD	
Cc1nn(-c2ccccn2)c(C)c1/C=C(\C#N)C(=O)C1CCCC1	801648503	SYHSAJQGQPWCLW-LFIBNONCSA-N	320.396	3.550	50	20	DHGD	
CCN(C(=O)NCCSSC)[C@@H](C)c1ccc(F)cc1	807232654	HRVXBHYBHQCSRO-NSHDSACASA-N	316.467	3.929	50	20	DHGD	
C=C(CNC(=O)NNc1c(F)cccc1Cl)c1ccccc1	807579340	POWXQKQPAJVSGC-UHFFFAOYSA-N	319.767	3.819	50	20	DHGD	
O=C(CSc1ccccc1O)NN=C1CCC[C@@H](C2CC2)C1	814970626	WQKAAAPYPZUETJ-CYBMUJFWSA-N	318.442	3.557	50	20	DHGD	
Cc1nn(C(C)C)cc1C=NNC(=O)Nc1ccc(Cl)cc1	815004798	BZNQMXBLFSJJRF-UHFFFAOYSA-N	319.796	3.581	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccc(Cl)c(F)c2)c1	815852698	FVGNUSSNOGGTHI-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
C/C(=C\C(=O)NNc1cccc(Cl)n1)c1cccc(Cl)c1	817011577	ALQYXEGNRJLDQI-CSKARUKUSA-N	322.195	3.935	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2sccc2C1	839279257	QVBCTQUBZKGQKZ-SYZQJQIISA-N	311.366	3.579	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)n1c(C(C)C)nc2ccccc21	840722839	PFFFDGQVTSAMBI-ZROIWOOFSA-N	305.385	3.723	50	20	DHGD	
O=C(CC[C@@H]1CCOC1)NNc1ccccc1Cc1ccccc1	846464835	TXTQGHTVVUSVRG-QGZVFWFLSA-N	324.424	3.537	50	20	DHGD	
Cc1cc(CNC[C@]2(C)C[C@@H]2Br)cc2cccnc12	856808696	DDURXJBQJXTMEM-HOCLYGCPSA-N	319.246	3.806	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@H](c3cccnc3)C2)C[C@H]1Br	856809233	KXSYESWXBUVQQJ-LCGIIJARSA-N	323.278	3.871	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1cccc(Br)c1Cl	872342819	BFVKXQMZHBJZBW-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)NCC(C)(C)C)c1C	919872884	QOYJPYGQSIZFKY-BOPFTXTBSA-N	315.461	3.974	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccn1)C12CCC(CC1)CC2	1120739938	TZBRMPMZTKDQIW-UHFFFAOYSA-N	313.323	3.514	50	20	DHGD	
Cc1ccc(/C=C(\C#N)c2nc(N)c3ccccc3n2)cc1C	1317903740	PDXXLPWKVZMGQD-XNTDXEJSSA-N	300.365	3.893	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)c1ccc(F)c(F)c1	1320358721	QWPGFOYLLDLTMK-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1cccc(C(F)(F)F)c1	1324265826	IQJXVLFSZNAFED-UHFFFAOYSA-N	312.335	3.975	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2ncc(-c3ccccc3)o2)c1	75477735	GPGUVUAUAXQDQW-UHFFFAOYSA-N	321.380	3.726	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1cccnc1Cl)c1ccccc1	89505963	NEKMGPYSSQNXLT-LBPRGKRZSA-N	301.777	3.538	50	20	DHGD	
COc1ccc([C@@H](NC(=O)NNc2ccccc2)C(C)C)cc1	114917097	NBZJLXWRTCXXPI-KRWDZBQOSA-N	313.401	3.719	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)/C=C/SCc2ccco2)c1	127646554	TUJOZMMZJVFIDC-SOFGYWHQSA-N	306.362	3.617	50	20	DHGD	
Cc1cccc(NNC(=O)CSc2nccc3ccccc23)c1	134865854	YCMUUEZJQMAKBB-UHFFFAOYSA-N	323.421	3.779	50	20	DHGD	
c1ccc(P(c2ccccc2)c2ccc3ccccc3n2)cc1	146911485	XZWFALQAPDAOON-UHFFFAOYSA-N	313.340	3.993	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1ccc(F)cc1F	172049697	KFEROYLXCCOFNN-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
O=C(NNc1c(Cl)cc(Br)cc1Cl)C1CC1	172721553	RXNGKKZHSMBWFQ-UHFFFAOYSA-N	324.005	3.609	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1C	178028372	XYXCNOGZJNJFJW-XNTDXEJSSA-N	310.357	3.882	50	20	DHGD	
Cc1c(Cl)cc(NC(=O)NNC(=O)C(C)(C)C)cc1Cl	179802132	UQHXVUUTEYRSTQ-UHFFFAOYSA-N	318.204	3.501	50	20	DHGD	
Cc1c(N[C@@H](C)C(C)C)cccc1C(=O)NNc1ccncc1	180460603	UUDUEMNAXSQYFJ-AWEZNQCLSA-N	312.417	3.603	50	20	DHGD	
CC(C)c1ccc([C@H](C)CC(=O)NNc2ccnc(F)c2)cc1	182483718	BXLYKTBSJFBWNH-CYBMUJFWSA-N	315.392	3.981	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1c[nH]c2c(C)cccc12	184294352	YGAATLUHPVWTMM-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
CC(C)Oc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	188189529	ACRJKSQZBHZJIA-PTNGSMBKSA-N	322.364	3.725	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc(C)cs2)c(OC)c1OC	193772267	IJQPQAOUDVBARR-KPKJPENVSA-N	316.382	3.542	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\C2=Cc3ccccc3OC2)c1	198209139	ZPPQFQFDODBUAC-BOPFTXTBSA-N	316.360	3.860	50	20	DHGD	
CC(=NNC(=O)c1cnccn1)c1ccc(C2CCCCC2)cc1	252498030	JDNVQGPWMIPLJM-UHFFFAOYSA-N	322.412	3.678	50	20	DHGD	
Cc1ncccc1/C=C(/C#N)C(=O)c1c[nH]c2cc(F)ccc12	255686760	LNCJYASURWNFMM-QPEQYQDCSA-N	305.312	3.800	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1cn(C(C)C)nc1C	280985263	KKAQJOQQEKPKIC-OQLLNIDSSA-N	308.385	3.627	50	20	DHGD	
CO[C@@H]1CCCN(C(=O)CCCC[C@@H]2CCSS2)CC1	374664418	PZOYFOBJDBHPKK-ZIAGYGMSSA-N	317.520	3.728	50	20	DHGD	
CSCc1cccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	491131315	KRSRBFNIRUOXMA-DHDCSXOGSA-N	324.405	3.801	50	20	DHGD	
Cc1cc(C)cc([C@@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	588515659	NYIUDYPNTMDJIN-CLXYIWAZSA-N	320.392	3.793	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCc2ccc(Cl)cc21	588605268	DERQQNNYPFVQRK-ZROIWOOFSA-N	324.767	3.542	50	20	DHGD	
CC(=NNC(=O)CC(C)(C)C)c1nc2ccccc2n1C(F)F	728428799	JAZNCWPIGNDJQF-UHFFFAOYSA-N	322.359	3.708	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@@H](CC(C)C)c1ccccc1C	732747558	QPMVFENMWWDDAA-VMEIHUARSA-N	300.402	3.642	50	20	DHGD	
O=C(NCC1(c2ccc(Cl)cc2)CC1)NNc1ccccc1	734276893	SWWPNSLOJSWTFF-UHFFFAOYSA-N	315.804	3.698	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(C)c(C)c2)cc1	734304564	OJXDVPJBFNNVEJ-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(-c2c(F)cccc2F)o1	734365082	BJJVFZYFHWBSQT-UHFFFAOYSA-N	306.312	3.721	50	20	DHGD	
C=CC[C@@H](C)NC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	735065932	LDCHUCDPYBTDQN-YFEUJDIGSA-N	313.445	3.749	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	748007850	GRFZFBWVIRPKRX-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1c1ccccc1)c1ccc(O)cc1	751382039	NBRLZMGHOWGSTI-QGZVFWFLSA-N	308.381	3.836	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)OCCCCC(F)(F)F	751736587	AGRIOBMKTVMNOK-XFXZXTDPSA-N	313.275	3.575	50	20	DHGD	
CSc1ccc2c(c1)CCCC2=NNC(=O)c1ccc(C)o1	752174348	NETXFXAPCFWLEP-UHFFFAOYSA-N	314.410	3.780	50	20	DHGD	
N#Cc1ccc(C(=O)NN=CC2CCC(C(F)(F)F)CC2)cc1	767381315	YRYASINYSSNEJP-UHFFFAOYSA-N	323.318	3.643	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccnn2C2CCCC2)c(C)c1	768165326	RUROERBLIQOHHW-UHFFFAOYSA-N	312.417	3.680	50	20	DHGD	
CC1(C)Cc2cc(NC(=O)NNc3ccccc3F)ccc2O1	770065795	GOUIZBZQOLZPHI-UHFFFAOYSA-N	315.348	3.688	50	20	DHGD	
O=C(NN=C1CCCNc2ccccc21)c1c[nH]c2ccccc12	774311615	QTZYISQRNGYYTN-UHFFFAOYSA-N	318.380	3.508	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2cc(Cl)ccn2)cc1	778450034	REFQZFGMHMICHF-LLVKDONJSA-N	303.793	3.544	50	20	DHGD	
Cc1cc(C(=O)NNc2c(Cl)cccc2Cl)ccc1O	779535867	YIRJFEFJRAUTPC-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cc(C(=O)O)cs2)c1	782199429	DCCUMYLTPIETFA-MLPAPPSSSA-N	311.362	3.853	50	20	DHGD	
O=C(NNc1ccccc1Cl)C1(Cc2ccc(F)cc2)CC1	783679821	RPUMCJOOEIPFAT-UHFFFAOYSA-N	318.779	3.945	50	20	DHGD	
Cc1cc(NNC(=O)C(C)(C)C(C)C)ccc1Br	784447280	RZEKYEGHTLWRGU-UHFFFAOYSA-N	313.239	3.883	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)Nc2ccc(C3CCC3)cc2)n1	786223619	HENYVKKWPUCMGX-UHFFFAOYSA-N	311.389	3.510	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-c2cccc(F)c2F)o1	790158214	VNFHFDREOZJVGT-SNVBAGLBSA-N	306.312	3.721	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(N(C)C)cc1C(F)(F)F	794875308	OYWQCFIHKBEJNJ-GHXNOFRVSA-N	310.319	3.903	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CCC(F)(F)C1	795176631	SWDZHBPFTXCOGV-ZETCQYMHSA-N	309.143	3.872	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc2c(c1)COC2	799407098	LGHIOWOSMIEMER-UHFFFAOYSA-N	311.385	3.736	50	20	DHGD	
CC(C)OC1CCN(CCO[Si](C)(C)C(C)(C)C)CC1	808723216	JWXASRYOSSUGGV-UHFFFAOYSA-N	301.547	3.898	50	20	DHGD	
CCc1ccc(N(C(C)C)S(=O)(=O)CCCCCl)cc1	809856756	LFUJBHOMIWQENU-UHFFFAOYSA-N	317.882	3.813	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(Cl)cc1)c1cccnc1	814687776	BAUQBRKWQUGENG-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
O=C(NN=Cc1cscn1)Nc1ccc(Cl)cc1Cl	814996501	PSYBTUZJFHCYML-UHFFFAOYSA-N	315.185	3.606	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(C(C)C)cc1	837052930	HFHSGIWQGJPGBS-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
Cc1ncc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)cn1	844349074	IIPUSGOOXGZXFS-MRXNPFEDSA-N	321.541	3.771	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc([C@H](C)C(F)(F)F)cc2)n1	862520004	ZZAAKURCMNWQBD-NSHDSACASA-N	323.318	3.813	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NNc1ccccc1C	865536168	XJNXFTAVIYFPJP-UHFFFAOYSA-N	306.365	3.914	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCCCC(C)C)cc1	914505957	IYZDGPZPFUUCFE-VBKFSLOCSA-N	300.402	3.545	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)c1ccc2c(c1)OCO2	916289288	LTOCXIWBGPWDCN-QCVPEABZSA-N	314.385	3.824	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(C)C2CCCCC2)cc1OC	916347865	QAVSAPWPOZHZOO-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1nc(C(C)C)oc1C	928337301	OZUOWWJYMMJAGQ-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
CC(C)(C)Cc1ccccc1C(=O)NNc1ncccc1F	935919056	WKKSXPGHDGMJLF-UHFFFAOYSA-N	301.365	3.566	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1ccc(OC(F)F)cc1	1320012521	UBDLIZAPEHAFLO-UHFFFAOYSA-N	310.344	3.557	50	20	DHGD	
CCO/C=C(\C#N)c1nnc(CSc2ccc(Cl)cc2)o1	1325798821	TWEKTRBJMYZJFN-CSKARUKUSA-N	321.789	3.916	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccc(-c2ccccc2)s1	1326994510	WZPSKSDOGIVIRD-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
O=C(CCc1ccccn1)NN(c1ccccc1)c1ccccc1	62863479	UOTGBQKAAJCMAW-UHFFFAOYSA-N	317.392	3.884	50	20	DHGD	
Cc1ccccc1[C@H](C)CC(=O)NNc1ccc(F)cc1F	116446911	VEFSLNTYLXIMTI-GFCCVEGCSA-N	304.340	3.910	50	20	DHGD	
N#CC(C#N)=CNc1cccc(C[S@](=O)C2CCCCC2)c1	116709667	YGEHDHSTFBEUEJ-JOCHJYFZSA-N	313.426	3.611	50	20	DHGD	
Cc1cccc(C)c1NCC(=O)NNc1ccc(Cl)cc1	120090846	CBMLEMOGSHJCKL-UHFFFAOYSA-N	303.793	3.512	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1SCCc2sccc21	120125672	VZJRODZEKNVVAR-CYBMUJFWSA-N	324.858	3.875	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)[C@@H]1CC=CCC1	124244122	DBAPBJNFZYHQOM-MRVPVSSYSA-N	303.164	3.932	50	20	DHGD	
CCOc1c(OC)cc(/C=C(/C#N)C(=O)C(C)(C)C)cc1OC	131060833	GXVRUGMPVLWRPT-JYRVWZFOSA-N	317.385	3.625	50	20	DHGD	
CC(C)n1cccc1C(=O)NNc1cccc(Br)c1	134508832	OBHIILLPFHUSRH-UHFFFAOYSA-N	322.206	3.588	50	20	DHGD	
CCOc1ccccc1C(F)(F)C(=O)NNc1cccc(C)c1	156226224	BZKOALXSWXLTFV-UHFFFAOYSA-N	320.339	3.629	50	20	DHGD	
O=C(CCOc1ccccc1)NNc1ccc(C(F)(F)F)cc1	159695057	HCVPBRLXMPQXRV-UHFFFAOYSA-N	324.302	3.618	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc2c(c1)CCCC2	178478462	CSWGXDHEUJCCQO-UHFFFAOYSA-N	317.392	3.871	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc([N+](=O)[O-])cc2)cc1	181135803	YQWPWIVPXMGRTJ-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)o1	183404110	NNNDBMGMUVDOCV-DHZHZOJOSA-N	303.264	3.979	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccccc2OC(F)(F)F)c1	190176834	KYAUWJJHOHJIIG-UHFFFAOYSA-N	324.302	3.959	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@H](C(F)(F)F)C1	272463072	LCQPUNRBWSIRSU-BDAKNGLRSA-N	321.730	3.547	50	20	DHGD	
C=C[C@](C)(CC)C(=O)NNc1ccccc1OC(F)(F)F	277059770	HSYPCQIDZYVCSF-CYBMUJFWSA-N	302.296	3.631	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ncsc1C(C)C	291448975	CIJRFIVHKWHBFS-UHFFFAOYSA-N	303.431	3.894	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)C[C@@H]2CCCCC2(C)C)c1	293862740	HCMRXHRLSXWQSF-AWEZNQCLSA-N	317.433	3.695	50	20	DHGD	
C[C@H]1c2ccsc2CCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	491013829	VMXWPJYVRGJAQR-LQELWAHVSA-N	324.405	3.507	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2cccc(C)c2C)cc1	731156723	KEWDLFRJRIUXFU-WJDWOHSUSA-N	306.365	3.858	50	20	DHGD	
CC(C)C(=NNC(=O)CNc1ccccc1F)C1CCCCC1	733901952	JDTBLBDMMNRTTG-UHFFFAOYSA-N	319.424	3.946	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	743818056	LCMUPLMXQMBCOG-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
CC(CCc1cccc(C)c1)=NNC(=O)CCOc1ccccc1	747051634	UQJDSSBFBKNJHF-UHFFFAOYSA-N	324.424	3.889	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)/C=C/c1ccco1	748750661	KMJMKWRFUQBGCG-FNORWQNLSA-N	321.174	3.507	50	20	DHGD	
Cc1cccc(CN(C)/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)c1	750038894	LWPZQRZPHZJCKX-ZDLGFXPLSA-N	307.353	3.900	50	20	DHGD	
Cc1cccc(CC(=O)OC[C@H](C)CBr)c1Cl	753614795	OTOWRWSYTFTPBP-SECBINFHSA-N	319.626	3.765	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CCc2ccc([C@H]3C[C@H]3C)o2)c1	760140628	JFPRGMGJMCPBQB-OCCSQVGLSA-N	316.376	3.926	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OC[C@H]1CC1(Cl)Cl	766749714	DKSZGFFFTZMONT-RQJHMYQMSA-N	318.038	3.533	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@H]2CCC[C@@H]2C)c(Cl)c1	768995303	HVFCVLULXXBNJC-NWDGAFQWSA-N	323.824	3.627	50	20	DHGD	
C[C@H](CBr)COC(=O)c1cccc(F)c1Cl	770393799	YTDDZMGIISLLOB-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2cccc(OC(F)F)c2)ncn1	773175380	DMBYYKLJHVHZJW-VZUCSPMQSA-N	319.336	3.864	50	20	DHGD	
N#C/C(=C/c1ccccc1C#N)C(=O)c1ccc(OC(F)F)cc1	776267874	HUVJFKWWNUEBGI-DHDCSXOGSA-N	324.286	3.950	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1C=NNC(=O)CC(C)C	781121562	KEICXADRZRGJEY-UHFFFAOYSA-N	310.397	3.858	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)C1(Cc2ccc(F)cc2)CC1	783720124	AHQGUTPOBXFBLU-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)c1ccccc1F	788698348	BBPXLVFXVURHAN-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
CCc1c(C(=O)NCCSSC)cnn1C(CC)CC	791150140	HQSFTYNYUUGXKB-UHFFFAOYSA-N	315.508	3.548	50	20	DHGD	
COc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791732384	KWKXTLSECVLSED-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C/c1ccc(O)cc1	794951859	DLDYSVRHGXGCMB-FMIVXFBMSA-N	310.397	3.981	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@H]1C[C@H](c2ccccc2)C1	798115295	JBFJTCOEFUNYFP-HDJSIYSDSA-N	315.804	3.912	50	20	DHGD	
CSSCCNC(=O)N[C@@H](c1cccs1)C1CC1	806354226	YYMQQSHUSRNPCX-LLVKDONJSA-N	302.490	3.510	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)CSc1ccccc1O	814969260	SOCRADYBOGINQG-GFCCVEGCSA-N	308.447	3.803	50	20	DHGD	
Cc1nsc(C)c1C(=O)NNc1cc(Cl)cc(Cl)c1	816472669	NKOUQFGPDGWRNP-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2cccc(Cl)n2)c1	817011660	DLNGDJNDIXXJDR-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1ncccc1C(F)(F)F	825985149	ZXSHTPMQOSNEDF-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2n1)[C@@H]1C[C@H]2C=C[C@H]1CC2	842521744	DIQIYXMTNZINOM-ZOBUZTSGSA-N	319.408	3.943	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)c(OC)cc1OC	844547539	GLLZQQVHKPNSEV-NUBYWOLOSA-N	305.349	3.755	50	20	DHGD	
COC(C)(C)CC(=O)NNc1ccccc1Oc1ccccc1	846461811	PCCCFCRWURGHMX-UHFFFAOYSA-N	314.385	3.737	50	20	DHGD	
CC1(C)C(=NNC(=O)c2cccc3cccnc23)[C@H]2CCC[C@H]21	853298626	YMKVGPHJSSPONW-DZGCQCFKSA-N	307.397	3.777	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(C)[C@@H]1CCCC[C@@H]1c1ccccc1	854952820	OQDIKRWHFNDDQN-JPHOHROUSA-N	312.413	3.615	50	20	DHGD	
C[C@]1(CN[C@H]2CCCNc3ccccc32)C[C@H]1Br	857062959	GTGFYBNTEYPRMF-RRFJBIMHSA-N	309.251	3.697	50	20	DHGD	
CCCCC[C@H](C(=O)NNCC(F)(F)C(F)(F)F)C(C)C	863096627	PGKHMZZSUMCSGZ-JTQLQIEISA-N	318.330	3.657	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnn(-c3cccc(C)c3)c2C)cc1	888397866	NAGAYZRNLIHFOS-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
C[C@H]1[C@@H](CN2CCC(c3ccc4cccnc4n3)CC2)[C@@H]1Cl	895212416	XYYJSUCJBUTORP-XGWLTEMNSA-N	315.848	3.683	50	20	DHGD	
Cc1oc(-c2cccs2)nc1C=NN(C)C(=O)OC(C)(C)C	905440505	YNBHRDWPVMFGHF-UHFFFAOYSA-N	321.402	3.912	50	20	DHGD	
CCc1nc2cc(NC(=O)[C@@]3(C)C[C@H]3Br)ccc2o1	906328507	BSIUVQJJBVQARM-RISCZKNCSA-N	323.190	3.502	50	20	DHGD	
Cc1cncc(C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c1	912579589	BXPZQXOGQMBWOX-OAHLLOKOSA-N	320.509	3.626	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(-c2cccc(C)c2)c1C	914528363	XDKVBZIPCRKNHK-LDADJPATSA-N	321.424	3.788	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC)c(OCCC)c1	915853047	BCKWGTJDRGZJRC-RVDMUPIBSA-N	317.385	3.734	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)c1ccc(Oc2ccccc2)cc1	915956378	WPLFWEPZKXZROC-UHFFFAOYSA-N	319.364	3.961	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2nc3ccccc3[nH]2)cc1	917943462	INXUQCWNVDUXDB-XNTDXEJSSA-N	317.348	3.522	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)Cc1ccc(Cl)nn1	930829023	PCUJOPKXDPBIJJ-UHFFFAOYSA-N	315.921	3.584	50	20	DHGD	
CN(C)c1ncccc1/C=C(/C#N)c1nc2cc(F)ccc2s1	1323086530	HCXKCRFRDOFWNJ-WQLSENKSSA-N	324.384	3.961	50	20	DHGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1cccc2c1CCCC2	1340925718	XZXBUFPZVVXHDS-CQSZACIVSA-N	316.445	3.746	50	20	DHGD	
CCc1csc([C@@H](C)NC(=O)C2CCC(Cl)CC2)n1	1347696665	YXXOWSWRHCEJRR-KPPDAEKUSA-N	300.855	3.680	50	20	DHGD	
CC(C)c1nc(CNC[C@]2(C)C[C@H]2Br)cs1	1347920212	SGCJSFGVHARSSK-PWSUYJOCSA-N	303.269	3.530	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2OC)s1	2744034	MTBLYHXPKTYHDM-BENRWUELSA-N	312.394	3.865	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)ccc1O	16441473	VDHFVALLJWNZNK-MDWZMJQESA-N	318.332	3.672	50	20	DHGD	
N#C/C(=C/c1ccc2ncccc2c1)c1nnc2n1CCCCC2	68301342	PAEUOXYTNJTJGN-VBKFSLOCSA-N	315.380	3.617	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)c1	72514285	MIPXCVSDIBAZAQ-GFCCVEGCSA-N	304.777	3.559	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC([C@H](O)c2ccccc2)CC1	78670505	VDGZWXLVYCLPEQ-LYCWOWIHSA-N	318.420	3.997	50	20	DHGD	
O=C(NNc1ccccc1)c1ccc(C2SCCS2)cc1	97637565	MQOQQGGEXVDYMS-UHFFFAOYSA-N	316.451	3.922	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc(OC(F)F)cc1	121865709	BEYLQMNIOINSDI-UHFFFAOYSA-N	300.349	3.948	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NNc1cc(F)c(F)c(F)c1	128646051	JYZWCXZEZJMJQE-UHFFFAOYSA-N	322.330	3.816	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1coc2ccccc12	133055560	DTAYTDGPRKIWAY-UHFFFAOYSA-N	322.151	3.892	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCC[C@H]1C(F)(F)F	158114055	LPHXKBXIBAHJJY-NXEZZACHSA-N	322.277	3.777	50	20	DHGD	
N#CC(C#N)=CNc1ccc(CN2CCc3ccccc32)cc1	171012712	HDWJVWSNWXGDFN-UHFFFAOYSA-N	300.365	3.592	50	20	DHGD	
CSc1ccccc1C(=O)NNc1ccc(Cl)c(F)c1	175432963	UGZXABBGHCCVBO-UHFFFAOYSA-N	310.781	3.958	50	20	DHGD	
COc1ccc(C[C@H](C)C(=O)NNc2ccccc2Cl)cc1	179486373	OBOYTNOIGVTNOF-LBPRGKRZSA-N	318.804	3.671	50	20	DHGD	
CCN(Cc1ccccc1)C(=O)/C(C#N)=C\c1ccc(F)cc1	181988262	HXCNFVQYIGHGIG-ATVHPVEESA-N	308.356	3.781	50	20	DHGD	
CCCOc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	188115341	KTIXEJCMNVDLOH-QINSGFPZSA-N	322.364	3.727	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1cccc(C(F)(F)F)c1	254305915	ZGTGZOMQKHELOU-UHFFFAOYSA-N	320.314	3.788	50	20	DHGD	
C#Cc1cccc(NC(=O)/C(C#N)=C\c2ccc(OCC)cc2)c1	255236321	ASFMRAFYQSKHTI-ATVHPVEESA-N	316.360	3.612	50	20	DHGD	
N#C/C(=C\c1cccc(-c2ccccn2)c1)C(=O)[C@@H]1CCCOC1	280925135	HQYUPYINMHWFII-YPOUMIDOSA-N	318.376	3.651	50	20	DHGD	
CCOc1ccc(NNC(=O)C(C)(C)c2cccc(F)c2)cc1	294261337	HVAZGQWGIYPMPE-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
CN(N=Cc1c(F)cccc1N1CCCC1)C(=O)OC(C)(C)C	490755382	ZPXRSZULKBVSRN-UHFFFAOYSA-N	321.396	3.627	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1ccsc1Cl	491048102	KIJAFCVPYLOEOK-FLIBITNWSA-N	318.785	3.956	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](Cc2ccccc2)C(C)C)cc1	746886107	IRPNYMAKAGZSBX-GOSISDBHSA-N	312.413	3.653	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1F)c1cc(C)ccc1O	747646209	MVRHBXYGHZYZHZ-UHFFFAOYSA-N	320.751	3.647	50	20	DHGD	
Cc1ccc2c(c1)[C@H](NC(=O)/C(C#N)=C/c1ccc(F)cc1)CC2	752064157	CTSRIBZIYSYMMT-KZIRBZLESA-N	320.367	3.845	50	20	DHGD	
CC(C)(C)C1=CCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	752673147	IMFUNIRBXVJIMR-NTCAYCPXSA-N	312.388	3.937	50	20	DHGD	
N#Cc1ccc(CC(=O)NNc2cc(Cl)ccc2Cl)cc1	752810194	GVPPBRUDQYDQMW-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
N#Cc1cc(C(=O)NNc2ccc(Cl)c(F)c2)ccc1Cl	758300414	KNUUCELZISRJQB-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CCCCC(CC)=NNC(=O)c1cc(-c2cccs2)[nH]n1	764785076	DBSFRKWELWAJIT-UHFFFAOYSA-N	304.419	3.824	50	20	DHGD	
CC(C)C1CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	768193430	WSBNBIFMSOQJMD-LBPRGKRZSA-N	304.272	3.691	50	20	DHGD	
COc1cc(C(=O)NN=C(C)CCC2CC2)ccc1OC(C)C	768766412	AXPUSXMVAMZROJ-UHFFFAOYSA-N	318.417	3.778	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2c(F)cccc2Cl)cc1	770198707	ZRYURPGOOSRWKM-LLVKDONJSA-N	322.767	3.698	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CC4(CCC4)C3)n[nH]2)c1	772842749	CDDLKXNACWZTKV-UHFFFAOYSA-N	322.412	3.743	50	20	DHGD	
CC1(C)CCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	773459093	RJYLVLRDUKOZEO-LBPRGKRZSA-N	300.324	3.975	50	20	DHGD	
Cc1c(C(=O)NCCCSC#N)sc2ccc(F)cc12	773593282	HVFHQRYBKQKTKH-UHFFFAOYSA-N	308.403	3.683	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(Cl)cn1)c1ccccc1	774385950	VFNYSSQYNSKVIV-OAHLLOKOSA-N	315.804	3.769	50	20	DHGD	
Cn1cnc2cc(/C=C(\C#N)c3cnc4ccccc4n3)ccc21	790226945	BFHNWLSXDAINBG-RIYZIHGNSA-N	311.348	3.581	50	20	DHGD	
O=C(NNc1ccc(F)c([N+](=O)[O-])c1)C1CCCCCCC1	791147042	XKMNVCKPUMZVIY-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CC[C@@H](C)n1ncc(NC(=O)NNc2cccc(Cl)c2)c1C	792482769	SRNZBGBEJGGTDT-SNVBAGLBSA-N	321.812	3.965	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCC3(CC2)CC3)cc1	792628685	XDUVDEUOHHPORL-UHFFFAOYSA-N	302.443	3.914	50	20	DHGD	
CCc1ccc(C(=O)NN=C2CCC[C@@H]2c2ccccn2)cc1	794880727	SRBCNHSPESVBNC-MRXNPFEDSA-N	307.397	3.698	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1COc2cc(C)c(C)cc21	799756631	GAELOHGZPIODCK-QGZVFWFLSA-N	324.424	3.794	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2nccnc2C2CCC2)cc1	805474504	YUZQSFAQHJMVFT-UHFFFAOYSA-N	310.401	3.624	50	20	DHGD	
ClCCCOc1ccc(CNCCCN2CCCCC2)cc1	811472864	PVPWDQWLLWKFDY-UHFFFAOYSA-N	324.896	3.660	50	20	DHGD	
COc1cc(Cl)cc(C(=O)NNc2ccccc2Cl)c1	815853114	WNRQOASBIGZXAB-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC[C@@H](C)c1ccccc1OCC(=O)N(C)CC(Cl)Cl	816629364	JPULNXBITXWEFA-LLVKDONJSA-N	318.244	3.841	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747573	UPYGZPLNBCMCJS-QMMMGPOBSA-N	302.205	3.658	50	20	DHGD	
C[C@]1(CC(=O)NNc2cccc3cnccc23)CC1(Cl)Cl	827186358	WLTNMSOPTGAPCO-AWEZNQCLSA-N	324.211	3.652	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ncsc1C(C)C	836936309	JIIIOKHDNMSMQS-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
COc1cccc(C(=O)NNc2ccc(C(C)C)cc2)c1OC	837058091	IZQGTQQIVLOLBE-UHFFFAOYSA-N	314.385	3.584	50	20	DHGD	
CC1=C(C)C[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1	843859949	VLARMLAKHXKHKD-SNVBAGLBSA-N	314.216	3.968	50	20	DHGD	
Cc1ccc(C(=O)NN=C[C@@H]2CCC[C@H](C(F)(F)F)C2)o1	853316071	GSTLIMGJAKSMLT-MNOVXSKESA-N	302.296	3.672	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccccc2Cl)C[C@H]1Br	856810953	CLBKTVUVGUBFDL-PWSUYJOCSA-N	317.614	3.635	50	20	DHGD	
O=C(NN=Cc1ccc(N2CCCCC2)s1)c1ccccc1	916249190	SYIQCNYMCPLGNP-UHFFFAOYSA-N	313.426	3.502	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)Cc2ccc(Cl)cc2)c1	916350694	CFROCOUUMOISAM-UHFFFAOYSA-N	300.789	3.650	50	20	DHGD	
CC(=NNC(=O)c1ccccc1Cl)c1ccc(C#N)c(F)c1	1116493531	SXAOESSQTKWNRI-UHFFFAOYSA-N	315.735	3.505	50	20	DHGD	
CCCC(=NNC(=O)c1ccc(OC)cc1)c1ccsc1	1343378177	VDTBCFAFMAYIMP-UHFFFAOYSA-N	302.399	3.691	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)cc1)C(=O)NCCc1ccccc1	39396107	FVGPYYQKSWBJLC-VBKFSLOCSA-N	310.784	3.606	50	20	DHGD	
CC(C)(C)c1n[nH]cc1/C=C(/C#N)C(=O)c1c[nH]c2ccccc12	40157797	CKFVLKQYROZTOF-WQLSENKSSA-N	318.380	3.978	50	20	DHGD	
O=C(CCCOc1ccccc1Cl)NNc1ccc(F)cc1	50558406	NTYFUKUJHHHPDK-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2cc(C#N)cc(Cl)n2)CC1	93543110	NDXBZSNMOCGUPR-UHFFFAOYSA-N	320.824	3.656	50	20	DHGD	
Cc1cc(Cl)ncc1NC(=O)NNc1cccc(Cl)c1	119133294	RGQGCAKTEGXOJZ-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1csc(-c2cccs2)n1	170851517	XKKFHDHZDYQODN-IZZDOVSWSA-N	317.439	3.551	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)C(=O)Nc2ccccc2C)c1C	178028638	DXDLXBWCDUDAQV-LFIBNONCSA-N	322.412	3.764	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cc1c[nH]c2cccc(C)c12	184378212	KGDQBPRULPELRZ-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
CC(C)N(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cn1	190222188	HORPKJDNBREIOE-XNTDXEJSSA-N	317.396	3.867	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@H]1c1cccc(F)c1	248693353	JCOPMFPHNWYUBX-RISCZKNCSA-N	300.215	3.994	50	20	DHGD	
Cn1ccc(/C=C(\C#N)C(=O)Nc2cc(Cl)ccc2Cl)c1	490944710	XOHKMYZWUVSGFL-IZZDOVSWSA-N	320.179	3.878	50	20	DHGD	
Cc1ccc2[nH]cc(C=NNC(=O)c3cccc(Cl)c3)c2c1	735610230	MAEVYWCFDSVGJA-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)[C@@H](CC)c2ccccc2)C12CCC2	741164314	GLMHJYPTVDCTMC-DOTOQJQBSA-N	314.429	3.632	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)nc1)c1ccc(C)cc1	745301030	YQYMDQUXVZHPAV-CQSZACIVSA-N	318.808	3.821	50	20	DHGD	
CC1=C(C(=O)NNc2ccc(Br)cc2C)CCC1	748754795	ZKAUYJDWMKYYGW-UHFFFAOYSA-N	309.207	3.701	50	20	DHGD	
CC[C@@H](Oc1ccccc1C)C(=O)NNc1c(F)cccc1F	749537800	HPIYFLULUZLOIN-CQSZACIVSA-N	320.339	3.574	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NN=C3CCCC3(C)C)n[nH]2)cc1	749857467	DKQDPPFXDLTVNQ-UHFFFAOYSA-N	310.401	3.681	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)C[C@H]1CCCCC1(C)C	752275396	PDMCUVKXKKJTMC-CQSZACIVSA-N	317.433	3.754	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(C)cc1Br	753683488	QVZREQOCDFMKFO-UKTHLTGXSA-N	321.218	3.581	50	20	DHGD	
CCCc1nc(C(=O)NNc2c(Cl)cccc2Cl)co1	759949198	AABCQHYTYLECMI-UHFFFAOYSA-N	314.172	3.691	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1C[C@H](C)C[C@@H](C)C1	761274895	WKLLOIKJPFJPFU-CHWSQXEVSA-N	320.458	3.716	50	20	DHGD	
C[C@H]1CCC(=NNC(=O)c2cccc(Br)c2)C[C@H]1C	767380458	RBPHUSUUVSIPKI-WDEREUQCSA-N	323.234	3.991	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)c2ccoc2C)c2ccccc21	769724042	DTTVKUVTYMCWRQ-RAXLEYEMSA-N	305.337	3.748	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1C(F)(F)F)c1ccccn1	773750801	IRKBZQPHKMUXPS-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1CC[C@H](C)C1	776489414	ZERXZSGFDBDKSY-GXSJLCMTSA-N	311.223	3.637	50	20	DHGD	
Cn1cc(/C=C(/C#N)c2ccc3ccccc3n2)c(C(F)F)n1	812241595	KJJMSJCYEXLQLM-WQLSENKSSA-N	310.307	3.970	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@H]1CCCSC1	813092235	HRAZXVRMYFEJNP-ZDUSSCGKSA-N	307.463	3.640	50	20	DHGD	
COCc1ccccc1/C=C(\C)C=NNC(=O)CC(C)(C)C	814221029	OVTQDNQIKNUURO-BCESYRRLSA-N	302.418	3.775	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)CSc1ccccc1O	814972062	XOMDJYMFPACZGI-UHFFFAOYSA-N	306.431	3.723	50	20	DHGD	
Cc1ccc(C)c2c(C)c(C(=O)NN[C@H](C)C(F)(F)F)oc12	818032760	DJGVEUPPELMWEY-SNVBAGLBSA-N	314.307	3.543	50	20	DHGD	
Cc1cc(C=NNC(=O)C(C)(C)C)c(C)n1Cc1ccccc1	819806227	MRXPEUACFNHNHA-UHFFFAOYSA-N	311.429	3.649	50	20	DHGD	
C[C@H]1C[C@@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC[C@H]1C	828827900	CNQHITLBYRITPI-VWYCJHECSA-N	315.339	3.616	50	20	DHGD	
CC[C@@H]1CCC[C@H]1C(=O)NNc1ncc(Cl)cc1Cl	828828054	DXOPPALAZRXMPB-PSASIEDQSA-N	302.205	3.658	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2ccc3c(c2)CCN3C)cc1	837058031	JQYWDIWMMUJILQ-UHFFFAOYSA-N	309.413	3.559	50	20	DHGD	
CC(C)(CC(=O)COC(=O)/C(C#N)=C/c1ccccc1)C1CC1	837680575	ZODFSWQROPMBPL-XNTDXEJSSA-N	311.381	3.532	50	20	DHGD	
CC(=NNC(=O)c1cccc2cccnc12)[C@H]1C[C@H]2C=C[C@H]1CC2	842526449	XCGRMOKIMRVFNJ-RLFYNMQTSA-N	319.408	3.943	50	20	DHGD	
CC[C@@H](C)OCC(=O)NNc1ccccc1Cc1ccccc1	846464306	MDTUDASUTFWHOS-OAHLLOKOSA-N	312.413	3.536	50	20	DHGD	
COc1ccccc1CC(C)(C)C(=O)N(C)CC(Cl)Cl	848081894	PZDMVXVNXTULFN-UHFFFAOYSA-N	318.244	3.526	50	20	DHGD	
CC1(C)CN(C[C@@H](CBr)C2CC2)[C@H]1c1cccnc1	859362038	PUBLBFSAVSCTFB-CABCVRRESA-N	323.278	3.886	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N1CCC[C@H](CF)C1	881594855	XEELLVATGWHQBG-OLZOCXBDSA-N	305.484	3.909	50	20	DHGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)C(=O)c1cccc(F)c1	899345498	NWAZYXXEUIBLHT-FRKPEAEDSA-N	309.344	3.612	50	20	DHGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNc1ccc(C#N)cc1	1324153430	JYINZQGPAYNBKO-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cn2c(C)cccc2n1	1324689890	FHXQQTJZXXIVGR-UHFFFAOYSA-N	322.412	3.831	50	20	DHGD	
CN(CCCCCc1cc(-c2ccccc2)no1)C(=O)CCl	1324705887	DHZSXLNMVXRMDU-UHFFFAOYSA-N	320.820	3.752	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ncc(Cl)s1	1343634171	HBOFXUBBCPVWFR-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
C[C@@H]1OCC[C@H]1c1nnc(CCCC[C@H]2CCSS2)o1	1349376415	OKDYEKWBIZOTNG-SDDRHHMPSA-N	314.476	3.829	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNc1cccc(C(=O)O)c1C	1595666304	HZSNNGORTWVHCG-GFCCVEGCSA-N	306.406	3.743	50	20	DHGD	
O=C(Nc1ccccc1)Nc1cccc(NC(=O)[C@@H](F)Cl)c1	2088601018	IWQRQVLDVWDWNJ-CYBMUJFWSA-N	321.739	3.804	50	20	DHGD	
Cc1nn(Cc2ccc(Cl)cc2)c(Cl)c1C=C(C#N)C#N	7007296	GGNNNDVHXISMEL-UHFFFAOYSA-N	317.179	3.977	50	20	DHGD	
O=C(Cc1c(Cl)cccc1Cl)NNc1ccc(F)cc1	45971614	YFNUJVFRUSNLGP-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CCCOc1ccccc1NC(=O)NNc1ccccc1F	91991029	KIXRLRPIXMMSBX-UHFFFAOYSA-N	303.337	3.763	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)N1C[C@@H](C)c2ccccc21	114238060	JKUSONJRNJXQKM-LLVKDONJSA-N	317.820	3.503	50	20	DHGD	
Cc1cc(C(=O)/C=C/c2cnn(CCCl)c2)cc(C)c1F	125385251	ZINPCCYWPBLLQC-ONEGZZNKSA-N	306.768	3.774	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(OC(F)F)cc2)c1	126563913	LZWMBANCXLGPCQ-UHFFFAOYSA-N	306.312	3.662	50	20	DHGD	
Cc1onc(-c2ccccc2)c1C(=O)NNc1cccc(F)c1	154520103	HLSUVTWXGMHNDD-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
Cc1ccc(NNC(=O)c2cncc(-c3ccccc3)c2)cc1	158882957	ICTFOZGGMCZXST-UHFFFAOYSA-N	303.365	3.814	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc3cnccc23)cc1Cl	178490878	UYWIPSRZPPTCQP-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ccc(F)cc1	181316373	ZSFQPRDHUZXQGS-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2nn(-c3ccccc3)cc2C)c1	186216798	LYOOBNHXCBIAMH-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)cc1C	207518117	WAIFQVRWOKIIDH-PWDRBQJJSA-N	320.392	3.788	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc(CC#N)cc1	272594477	JDFPZXYNELZLFT-GFCCVEGCSA-N	309.207	3.501	50	20	DHGD	
Cc1nc(C)c(NC(=O)[C@@H](Br)C(C)(C)C)s1	274372843	LEDMDVACDWRIPY-MRVPVSSYSA-N	305.241	3.508	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1ccc(OCCOC)cc1	281181514	QPZKOBPBSSFMCJ-QINSGFPZSA-N	301.386	3.624	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1c1ccsc1	284361556	ZDLMYBYLKKBVCX-LLVKDONJSA-N	302.490	3.606	50	20	DHGD	
CCCc1sc(C(=O)NNc2cccc(F)n2)cc1CC	286540787	IUJDSPRRQRTYEK-UHFFFAOYSA-N	307.394	3.554	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)c(C)c1OC	490938424	FFMOUSFDLCOVKM-RVDMUPIBSA-N	322.364	3.558	50	20	DHGD	
COc1cc(-c2ccccc2)ccc1/C=C(/C#N)C(=O)NC(C)C	588417586	IJXAQMWNZGWNLI-WQRHYEAKSA-N	320.392	3.794	50	20	DHGD	
FC(F)(F)C1CCN(C[C@H](CBr)C2CC2)CC1	701839278	ZGZXPDMPYQZPMW-JTQLQIEISA-N	314.189	3.682	50	20	DHGD	
COc1ccc2oc(C)c(C(=O)NN(C)c3ccccc3)c2c1	726981523	VPRMEWGDNCAARL-UHFFFAOYSA-N	310.353	3.531	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cc(F)c(F)c(F)c1	727972611	XWSNBNOJSDXKST-UHFFFAOYSA-N	320.314	3.577	50	20	DHGD	
CN(NC(=O)CCCCCc1ccc(O)cc1)c1ccccc1	729511334	GJZZLQIFAGJZDT-UHFFFAOYSA-N	312.413	3.663	50	20	DHGD	
CCCCNC(=O)NNC(=O)[C@@H](CCC)CC1CCCCC1	733255577	FGPAIJYIKOZCSJ-HNNXBMFYSA-N	311.470	3.504	50	20	DHGD	
O=C(COCc1ccccc1)NN=Cc1csc2ccccc12	737438788	ILFVNMASVAJSGM-UHFFFAOYSA-N	324.405	3.568	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1cc(C)c(F)c(C)c1	741464299	OCYWHRIZIQOFDH-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)C1CCCCCCC1	743415362	YBMZYOIDNXMKSI-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3cc(F)c(F)c(F)c3)cc2c1	746706855	LQILYFBSWUQDLY-UHFFFAOYSA-N	320.270	3.915	50	20	DHGD	
CN(NC(=O)[C@@H]1C[C@H]1c1cccc(Cl)c1)c1ccccc1	747470665	ZBHIFOLRTQOHLQ-JKSUJKDBSA-N	300.789	3.611	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccccc2F)cc1	748050631	OCTVFFNPXSSMEY-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNc1ccccc1F	748050887	XXWSEWBUSOUVDU-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
O=C(CSC(F)(F)F)NNc1cc(Cl)ccc1Cl	752812425	WWQVOFVUNIYOPS-UHFFFAOYSA-N	319.135	3.690	50	20	DHGD	
CC(C)[C@H]1CC[C@H](C(=O)NNc2ccc([N+](=O)[O-])cc2)CC1	753657655	CFDFAMBDXDAZNE-JOCQHMNTSA-N	305.378	3.500	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ccc(Br)cc1	761996614	KROWXFYNSJMTQW-JTQLQIEISA-N	313.239	3.965	50	20	DHGD	
C[C@@H](CCc1ccco1)NC(=O)[C@H](Br)C(C)(C)C	766978067	NVBJOJHDKVFDBQ-JQWIXIFHSA-N	316.239	3.527	50	20	DHGD	
C[C@H](CCc1ccco1)NC(=O)[C@@H](Br)C(C)(C)C	766978069	NVBJOJHDKVFDBQ-ZYHUDNBSSA-N	316.239	3.527	50	20	DHGD	
Cc1cccc(NNC(=O)CCCOc2ccc(C)cc2C)c1	767863155	YLSNEPMXEHBVRJ-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
CC[C@@H](C(=O)NN=CCCc1cnccc1C)c1ccccc1	776728986	GOMDSXHHSUKXSK-GOSISDBHSA-N	309.413	3.618	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ccc(Oc2ccccc2)o1	779772961	JOKCIJFMLOWSAK-UHFFFAOYSA-N	300.358	3.958	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	780374835	POXKTTJKVKTKSS-XFXZXTDPSA-N	304.271	3.834	50	20	DHGD	
Cc1nscc1C(=O)NN(c1ccccc1)c1ccccc1	781261010	UOSBWHUMOIPTPV-UHFFFAOYSA-N	309.394	3.935	50	20	DHGD	
C[C@@H]1CCCCC1=NNC(=O)COc1ccc2ccccc2c1	794777033	MGYVRVURNKGXPB-CQSZACIVSA-N	310.397	3.901	50	20	DHGD	
CCCN(NC(=O)CCCc1ccccc1)C(=O)OC(C)(C)C	804592435	LWAZGAPXGZGXTA-UHFFFAOYSA-N	320.433	3.688	50	20	DHGD	
CSSCCNc1nc2ccc([N+](=O)[O-])cc2s1	804700077	NOMYJWKKTKZPBP-UHFFFAOYSA-N	301.418	3.628	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1ccc(F)c2ccccc12	806554030	IAOWIPIQKBPUNM-NPRUJURCSA-N	312.344	3.600	50	20	DHGD	
CC[C@H](NCCO[Si](C)(C)C(C)(C)C)C1CCOCC1	808744521	OXDODJQJYHWTNZ-HNNXBMFYSA-N	301.547	3.803	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cn1	809146302	OELKRJGHYPEVTQ-WOJGMQOQSA-N	319.408	3.944	50	20	DHGD	
CO[C@@H](CNCc1ccc(OCCCCl)cc1)C(C)(C)C	811481942	BUCJVEFUSRUSBE-INIZCTEOSA-N	313.869	3.845	50	20	DHGD	
C=C(CNC(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccccc1	813623215	WOHXVMHNRQOAOD-BOPFTXTBSA-N	306.340	3.562	50	20	DHGD	
CC(C)OC1CC(=NNC(=O)c2cc3c(s2)CC[C@H](C)C3)C1	814759938	SZRUFFXAAZVFLM-ZSOXZCCMSA-N	320.458	3.546	50	20	DHGD	
CC(=NNC(=O)COCc1ccccc1)c1cccc(C2CC2)c1	814855246	JBNSYQZEBALPKN-UHFFFAOYSA-N	322.408	3.621	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)C1CC(c2ccc(F)cc2)C1	815983785	QXVALMFJOGKKBT-UHFFFAOYSA-N	319.767	3.511	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C\c1c(Cl)ccc(Cl)c1Cl	818221634	RGERYJCAKNUMHJ-XQRVVYSFSA-N	310.589	3.556	50	20	DHGD	
CNc1nnc(SCCO[Si](C)(C)C(C)(C)C)s1	821069163	BTVCGZWEKIOEFX-UHFFFAOYSA-N	305.545	3.694	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc2cccc(CC)c2o1	849250001	OOCAFUAZOQBGCD-XNTDXEJSSA-N	303.383	3.684	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CC[C@@H](C2CCCCC2)C1	855636763	PNKVKHUOSUMJEC-YPOUMIDOSA-N	324.424	3.728	50	20	DHGD	
Cc1csc(C(=O)NN=Cc2cccc(OC(C)C)c2)c1	863155580	QFWWBHFYVGNZQL-UHFFFAOYSA-N	302.399	3.608	50	20	DHGD	
C[C@@]1(C(=O)Nc2cccc(C(F)F)c2)C[C@H]1Br	906500993	KBKZBDCHMHSWOA-BXKDBHETSA-N	304.134	3.736	50	20	DHGD	
CCOC(=O)NN=Cc1ccc(OCc2ccc(C)cc2)cc1	916267910	UUFULZAOCKBIFE-UHFFFAOYSA-N	312.369	3.654	50	20	DHGD	
CCCCCC1=C(C)CCC1=NNC(=O)Cn1nc(C)cc1C	916343342	VDGVFFXLJPMOPV-UHFFFAOYSA-N	316.449	3.663	50	20	DHGD	
Cc1ccccc1C=NNC(=O)Cc1cccc2ccccc12	916661168	OXPIBIUTVAZBQX-UHFFFAOYSA-N	302.377	3.841	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(=O)NC3CC3)s2)cc1	920480229	AUXKYUMMDOVUJU-GXDHUFHOSA-N	308.406	3.909	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)c2ccccc2Cl)s1	1116260652	BOSQHVIIBVPTBQ-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
CCc1ccc(/C=C(/C#N)c2nc(N)c3ccccc3n2)s1	1318337766	BRKFQFKZFIIYTI-LUAWRHEFSA-N	306.394	3.900	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCCC2CCCCC2)nn1	1318683088	OZCHPBUVYQQKKA-UHFFFAOYSA-N	318.465	3.968	50	20	DHGD	
CCn1nc(C(C)C)cc1C(=O)NNc1c(F)cccc1Cl	1320359675	XXSQTBGSOGBGIG-UHFFFAOYSA-N	324.787	3.576	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)cc1Cl	1329258967	YNNKJJHGVRNHLT-DJIMGWMZSA-N	312.800	3.677	50	20	DHGD	
CC1CCC(=NNC(=O)c2ccc(Br)cc2)CC1	5915713	MUNMKNXRKUEQKS-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
CCCOc1c(Cl)cc(/C=C(/C#N)C(=O)O)cc1OCC	11802383	PEYLQZNFRMYLBR-WDZFZDKYSA-N	309.749	3.519	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1)C(=O)c1c[nH]c2ccccc12	23217967	BBYKPPDULIDTBO-UKTHLTGXSA-N	317.304	3.866	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2c[nH]nc2C(C)(C)C)c1	66405871	QHWPWNDSPMBSJZ-LCYFTJDESA-N	308.385	3.561	50	20	DHGD	
C=C[C@H](CC(=O)NNC(=O)Nc1ccccc1C)c1ccccc1	120062639	NVCZTKLXYQGHHW-OAHLLOKOSA-N	323.396	3.508	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(Br)c2)cc1	120457060	WZUGSQQYWZVLEH-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(c2cccc(F)c2)CCC1	120873061	LBZISKKPAUXZSZ-UHFFFAOYSA-N	320.314	3.669	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(Cl)c1)c1nnc2n1CCCCC2	158697423	QVDZINSPLUFEHS-WQLSENKSSA-N	316.767	3.861	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCC2)c1nnc2n1CCCCC2	172814915	DRHXOACRUMXOOC-ATVHPVEESA-N	304.397	3.557	50	20	DHGD	
CCC[C@H]1C[C@H](C(=O)NNc2c(F)cccc2Cl)CCO1	184660139	CYJNRAAZYTUFOS-MNOVXSKESA-N	314.788	3.518	50	20	DHGD	
CCCOc1cc(OC)ccc1C(=O)NNc1cccc(C)c1	188132242	KHSWIEAYDBPADS-UHFFFAOYSA-N	314.385	3.549	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C(C)C)c(C)n1CCC(C)C	218973962	CRZZFJBMQNMWKM-WQRHYEAKSA-N	315.461	3.925	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)s1)c1c[nH]c2ccccc12	254303092	PXZRIQULSYQXJN-UHFFFAOYSA-N	303.774	3.647	50	20	DHGD	
Cc1csc2nc([C@@H]3CC[C@@H](Br)C3)nc(O)c12	277448484	HPONGNQWQJYRCB-HTQZYQBOSA-N	313.220	3.736	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cn(C(C)C)nc1C	280990634	KVOWXFYSHKYCIX-CXUHLZMHSA-N	322.412	3.935	50	20	DHGD	
CN(N=Cc1ccc(Br)s1)C(=O)OC(C)(C)C	490732867	FKADETNYRABLPB-UHFFFAOYSA-N	319.224	3.711	50	20	DHGD	
CCc1cccc2c(C=NN(C)C(=O)OC(C)(C)C)c[nH]c12	490753117	AHOLWCXXZXKKJR-UHFFFAOYSA-N	301.390	3.931	50	20	DHGD	
COC(=O)N(C)N=C(CC(F)(F)F)c1ccc(Cl)cc1	495676858	JBJBZTBBIGMSNA-UHFFFAOYSA-N	308.687	3.695	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1sc(C)nc1C	727684996	URVVAINBXCFEPE-UHFFFAOYSA-N	315.442	3.623	50	20	DHGD	
CCOc1ccc(C=NNC(=O)[C@@H](CC)c2ccccc2)cc1	731931324	FICKTMVUWXEKIE-SFHVURJKSA-N	310.397	3.729	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1cc(C)ccc1O)c1ccccc1	731931554	KJUFJKURSHNRHJ-MRXNPFEDSA-N	310.397	3.735	50	20	DHGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1nccc2sccc12	734246829	KIUIKKVGEWPXCV-LBPRGKRZSA-N	311.410	3.618	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1ncccc1Cl	734247650	WCOBEPAVDARDML-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
Cc1ccccc1CNC(=O)NNc1ccc(Cl)c(F)c1	746744167	RBBQBFMANCWNKK-UHFFFAOYSA-N	307.756	3.614	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccc(OC)cc1	746882907	IUYLDCWYMUUEEV-INIZCTEOSA-N	316.426	3.709	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)Nc1cccc2ccsc12	757754063	JGFCPHUJVXRIGN-UHFFFAOYSA-N	317.414	3.634	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1c[nH]c2cccc(F)c12	763363912	SDABXHPKRWMTMC-UHFFFAOYSA-N	323.371	3.780	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@]1(C)CCc2ccccc2C1	771702439	ZTCJPOIOAFAGHJ-LJQANCHMSA-N	312.388	3.772	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)cs1)C(=O)c1cc(F)cc(F)c1	773173965	ZNLXAOWSTMCZFJ-OQFOIZHKSA-N	319.288	3.514	50	20	DHGD	
N#C/C(=C/c1nc2c(s1)CCCC2)C(=O)c1ccsc1	776267421	ZRJDMMDAHYUNDG-XFFZJAGNSA-N	300.408	3.873	50	20	DHGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	777871185	YPAQWENEYZZRFP-CLAMUBHJSA-N	300.377	3.736	50	20	DHGD	
COc1ccccc1C(=O)NNc1cc(Cl)cc(Cl)c1	791717359	SNEYPVGJSMTIBC-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@H]2CC(=O)NNC(=O)CC(C)(C)C	792591746	CRQUYCLGOBQEGD-KGLIPLIRSA-N	316.445	3.560	50	20	DHGD	
CC[C@@H]1CCCC[C@H]1C(=O)NNc1nc(C(F)(F)F)cs1	795165662	YDQSJFYSSMPPFQ-RKDXNWHRSA-N	321.368	3.821	50	20	DHGD	
C[C@@H](CBr)COC(=O)C(C1CCC1)C1CCC1	803789492	ZCXIHXJFTMUVSP-JTQLQIEISA-N	303.240	3.777	50	20	DHGD	
CC(C)(CCCc1ccccc1)C(=O)NNc1ncccc1F	804214245	WUUZOEOHQJWFCH-UHFFFAOYSA-N	315.392	3.713	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@H]1C[C@@H]1c1cccc2ccccc12	804768188	RDMMMFQFJXUCEG-CVEARBPZSA-N	321.355	3.621	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1ccc(C2=CCCC2)cc1	810678788	DGTBTFJUUCDGAR-UHFFFAOYSA-N	323.352	3.919	50	20	DHGD	
N#CSCCCNC(=O)c1cc2c(ccc3ccccc32)[nH]1	816539553	KZJZXSHKEFCRTH-UHFFFAOYSA-N	309.394	3.655	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)NNc2cccc(Cl)n2)o1	817005745	GUZMHXRTEJZXFL-ZYHUDNBSSA-N	319.792	3.527	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc(-c2ccco2)s1	817006701	VCSAZZZHOPEULQ-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1C[C@@H]1c1cccc(Cl)c1	817007068	LQLHNMZPEHBJTN-NEPJUHHUSA-N	322.195	3.635	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C\c2cccc3c2CCC3)n1	844275671	ZLULDWZTRIYURK-ZROIWOOFSA-N	324.405	3.873	50	20	DHGD	
CC(C)c1ccccc1C=NNC(=O)CCN1CCCCCC1	848402285	ZUXBLJUPQNYWIU-UHFFFAOYSA-N	315.461	3.526	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cnn(C(C)(C)C)c2)cc1	849640205	ZLIDLHKSYPHUJH-MFOYZWKCSA-N	323.396	3.597	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2ccc(Cl)cn2)c(C)s1	851953004	VGZGNRXWXUNLNU-VIFPVBQESA-N	324.837	3.801	50	20	DHGD	
C[C@@]1(C(=O)NNc2cccc(Br)c2)C[C@H]2CC[C@H]1C2	860313972	WKVUOSIPBXVNKN-ZIBATOQPSA-N	323.234	3.719	50	20	DHGD	
CCCOc1cc(C)ccc1NC(=O)NNc1cccc(C)n1	860477520	IAVRJKIVCGIBHW-UHFFFAOYSA-N	314.389	3.636	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccccc1OC(C)C	915971359	QQLYANZAYKVBER-UHFFFAOYSA-N	311.385	3.938	50	20	DHGD	
C=CCOc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1	916253759	KBRCDVVTNPPJTP-UHFFFAOYSA-N	314.772	3.669	50	20	DHGD	
CCCCc1ccc(C(C)=NNC(=O)c2ccc(N)cc2)cc1	916264271	HSHPWJLQRKKFBC-UHFFFAOYSA-N	309.413	3.765	50	20	DHGD	
CC(C)c1ccc(C2(C(=O)NCCCSC#N)CCC2)cc1	1118700362	LHSWBRCCQOAZDZ-UHFFFAOYSA-N	316.470	3.952	50	20	DHGD	
COC(=O)c1cc(NC(=O)C2CCC(Cl)CC2)c(C)s1	1349930599	YJVBZDNCMFREJL-UHFFFAOYSA-N	315.822	3.579	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2ccc(F)cc2)c1	45970024	AHOQLOLHUNHFJE-UHFFFAOYSA-N	304.390	3.511	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1Cl	54801891	WQLNMQAHTMBHNO-UVTDQMKNSA-N	324.767	3.821	50	20	DHGD	
Cc1[nH]c2ccc(C(=O)NNc3cccnc3Cl)cc2c1C	85685581	PELUVNCIPORPFU-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1Cl)C(=O)Nc1nccs1	96482333	QSAXYAUPFXBZDP-TWGQIWQCSA-N	324.192	3.996	50	20	DHGD	
Cc1cccc(NNC(=O)c2cccc(Oc3ccncc3)c2)c1	112724484	CQWSYYNMXKYSES-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
O=C(NNc1ccccc1)N[C@H]1CCSc2ccc(F)cc21	114917927	LZBOISKAFIYCEN-AWEZNQCLSA-N	317.389	3.689	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(N2CCCC2)c(F)c1	120142135	XCKSCVMDYWWIOV-UHFFFAOYSA-N	314.364	3.575	50	20	DHGD	
O=C(C[C@H]1C=CCC1)NNc1c(Cl)cc(F)cc1Cl	126315431	UTNGBJHZNITEBY-QMMMGPOBSA-N	303.164	3.932	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(Br)cc2)c1	127619667	KMOYJRFCUAMHOM-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccccc2)c1C	170869590	JVIPNJHCBOEYJO-IYSPOMMRSA-N	321.424	3.909	50	20	DHGD	
CC1(C)/C(=C\c2cnn(CCCl)c2)C(=O)c2ccccc21	171541278	AEULRYSZAJHXOO-DHDCSXOGSA-N	300.789	3.679	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)s1	171982485	QLWJWVFFHYRBIL-UXBLZVDNSA-N	314.332	3.517	50	20	DHGD	
COc1ccc(CN(C)/C(=C/C#N)c2ccccc2)c(OC)c1	175401710	GLPNAHZSVPBVGD-WOJGMQOQSA-N	308.381	3.700	50	20	DHGD	
Cc1c(NCC(C)(C)C)cccc1C(=O)NNc1ccncc1	180540833	CXTKTGZKDXGCMJ-UHFFFAOYSA-N	312.417	3.605	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccc(C)cc2)c1OC	184837686	GINOGCVREGSBPV-LFIBNONCSA-N	307.349	3.802	50	20	DHGD	
CCCCCCOc1cccc(/C=C(/C#N)S(C)(=O)=O)c1	195295242	GERNBNVJGRLQCN-VBKFSLOCSA-N	307.415	3.555	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)[C@@H](Br)C(C)(C)C)cc1	196537625	GZDVCZUBQLIICW-DGCLKSJQSA-N	312.251	3.982	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(C)noc1C(C)C	271991767	QSDRXKYKKVMYOB-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1CCOc2ccccc21	281817479	QUULTSFZHIJTFK-INIZCTEOSA-N	310.397	3.567	50	20	DHGD	
O=C(/C=C/c1cccc(O)c1)NNc1cc(Cl)ccc1Cl	492735344	MAQPQVIZSIXRDN-QPJJXVBHSA-N	323.179	3.856	50	20	DHGD	
Cc1cccc(OS(=O)(=O)c2ccc(CCCCl)cc2)c1	726972297	RACPAXSHSUHVRI-UHFFFAOYSA-N	324.829	3.934	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC(C)(C)C(C)C)c1C	728004227	JHFQAFYUNRISEH-GZTJUZNOSA-N	315.461	3.973	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(C)c(C)c1O	728157042	RJNOQILGNNPOPD-UHFFFAOYSA-N	316.788	3.816	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(OC)cc1)c1ccccc1	731931042	ARHFYIVEEIEBFJ-GOSISDBHSA-N	310.397	3.729	50	20	DHGD	
CCSCC[C@@H](C)NC(=O)NNc1c(C)cc(C)cc1C	745923003	MKANNIRUXFQSGB-CQSZACIVSA-N	309.479	3.770	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@H](c2ccco2)C1	750045622	UVBMCXZZVMYUDH-CWSGUEHPSA-N	309.325	3.542	50	20	DHGD	
CC(C)(C(=O)NN=C[C@@H]1CCOc2ccccc21)c1ccccc1	752166007	VZUAITGRYSMNHG-HNNXBMFYSA-N	322.408	3.633	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)NCC2(C)CC2)c1C	752389135	VQLZXQANTQOCQN-GZTJUZNOSA-N	313.445	3.728	50	20	DHGD	
C[C@H](CC=NNC(=O)c1cccc(N(C)C)c1)c1ccccc1	755525387	DPNVJXLHYDRNJI-OAHLLOKOSA-N	309.413	3.662	50	20	DHGD	
CC(C)SCC(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757424465	CQDJMINJUMZMAF-UHFFFAOYSA-N	305.355	3.795	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2c(C)[nH]c3ccccc23)cn1	764886465	HQVMWBFMIZKTDI-DHDCSXOGSA-N	301.349	3.970	50	20	DHGD	
CCN(C[C@H](C)CBr)c1ccc(OC)c(OC)c1	770655907	JZNVQQMDYQMSHB-LLVKDONJSA-N	316.239	3.561	50	20	DHGD	
Cc1cc(F)ccc1NC(=O)NNc1ccc2ccccc2n1	775451419	XEQZQUBOKORTBD-UHFFFAOYSA-N	310.332	3.831	50	20	DHGD	
CC[C@@H]1CCCCC1=NNC(=O)CSc1ccccc1OC	779784191	OWXKHZOWCSQBQT-CYBMUJFWSA-N	320.458	3.860	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(OC(C)C)cc1F	794143002	LHFQYOZOFBZZSA-UHFFFAOYSA-N	318.439	3.746	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)[C@@H]1CCCOC1	794877868	MZFAVSQPAJARCF-DFSFMLJYSA-N	307.349	3.849	50	20	DHGD	
CSCCCN(C)C(=O)CCCC[C@@H]1CCSS1	799066506	FQFCIVYBCKGXOF-GFCCVEGCSA-N	307.550	3.912	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)Oc1ccccc1F	799754375	HBBVXUUBMDDEKZ-ZDUSSCGKSA-N	316.376	3.607	50	20	DHGD	
N#Cc1ccc(Cl)c(C(=O)NNc2c(F)cccc2Cl)c1	803117446	WTDUZPIHFIETTR-UHFFFAOYSA-N	324.142	3.761	50	20	DHGD	
CC[C@H](C)Oc1cccc(NC(=O)NCCSSC)c1	807232273	ZZNFGZAWRWNKCB-NSHDSACASA-N	314.476	3.997	50	20	DHGD	
COc1ccc2nc(C)c(C(=O)NNc3ccc(C)cc3)cc2c1	809706745	JLYBQOZSINRJAY-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)c1ccc(C2=CCCC2)cc1	810282320	SICITBDZIDAGAB-UHFFFAOYSA-N	312.413	3.595	50	20	DHGD	
C=C(CBr)CN1CCC[C@H](CC(F)(F)F)C1	817282355	ZWXLKTJRKJHTRZ-SNVBAGLBSA-N	300.162	3.602	50	20	DHGD	
Cn1ncc(/C=C(/C#N)c2ncc(C(C)(C)C)s2)c1Cl	834441313	GMKZUWIKSVIVSA-UITAMQMPSA-N	306.822	3.892	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C\c1cscc1Br	834447650	PDJOTXDMBDHYNP-CLTKARDFSA-N	302.168	3.735	50	20	DHGD	
CSCC1CCC(=NNC(=O)c2ccc(Cl)cc2)CC1	834916168	ULTSHHJOXMVKQF-UHFFFAOYSA-N	310.850	3.979	50	20	DHGD	
Cc1nnsc1COC(=O)CCCC[C@@H]1CCSS1	835461112	KQAQFZNYIGVGMD-SNVBAGLBSA-N	318.489	3.604	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2ccnn2C(C)(C)C)c(Cl)c1	836536041	DUGSTJRREQYQLU-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
CC(C)(CC#N)CNC(=O)NNc1ccc(C(C)(C)C)cc1	838754254	YDBHEEXDZBQAHN-UHFFFAOYSA-N	302.422	3.550	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cnc(C(C)(C)C)nc2)c1	840713308	MKUGGUXVPOIUPG-OVCLIPMQSA-N	321.380	3.573	50	20	DHGD	
O=C(NNc1ncccc1C(F)(F)F)c1cccc(C2CC2)c1	848371708	STRHLQGWBVMMQF-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
O=C(NN=C1CC[C@H](Cc2ccccc2)C1)OCC(F)(F)F	853428708	RRQFRYFJZZVTKO-GFCCVEGCSA-N	314.307	3.674	50	20	DHGD	
CC(C)(Cc1ccccc1)C(=O)NC[C@@]1(C)C[C@H]1Br	857689630	LYSVKNGPIUEBFM-CZUORRHYSA-N	324.262	3.545	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2ccc(F)c(Cl)c2)cc1C	863081357	HFFPIAWUABVUMP-SECBINFHSA-N	324.787	3.712	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1cc(Cl)ccc1C	885127455	RSNXGKRMVBNNKD-UHFFFAOYSA-N	310.825	3.855	50	20	DHGD	
Cc1noc(C)c1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912584530	JJXTWPYLTXJJSN-ZDUSSCGKSA-N	324.497	3.528	50	20	DHGD	
CCN(CC)CCC(=O)NN=Cc1ccc(-c2ccccc2)cc1	916354684	HMWHXGVNLRYGHL-UHFFFAOYSA-N	323.440	3.536	50	20	DHGD	
COc1ccc(C(C)=NNC(=O)c2ccccc2Cl)cc1F	1115814561	FFAJKSBDQRWCID-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
Cc1ccc(NNC(=O)c2cncc(OC(C)C)c2)cc1Cl	1116302955	BAPNUEPFOGKZBS-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
CC(C)c1ncc(C(=O)NNc2ccc(C(C)(C)C)cc2)[nH]1	1116512514	QZAUXTJWASABKM-UHFFFAOYSA-N	300.406	3.588	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1	8199998	BBAWCQYWRRWPPA-OQLLNIDSSA-N	303.321	3.564	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccc(F)cc3)cc2C1	45970750	JFHOUTYPZPTJMY-SNVBAGLBSA-N	304.390	3.769	50	20	DHGD	
CN(Cc1ccncc1)C(=O)CCCC[C@@H]1CCSS1	47632289	XOUXTWWCGMINEG-CQSZACIVSA-N	310.488	3.754	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1ccc(F)cc1	79440509	RSDSPMOBNMMILP-GFCCVEGCSA-N	304.340	3.677	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3ncccc3Cl)[nH]c2c1	114886494	BSAQBQMATVFIBY-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1ccc(OC)c([N+](=O)[O-])c1	125471374	VPDJRFJOZHFWHG-KAQJVSAMSA-N	302.330	3.516	50	20	DHGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1ccc(C(F)(F)F)cc1	153625099	WJNIGHYOMPQVIQ-LLVKDONJSA-N	324.302	3.616	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)c2c(F)cccc2F)c1	154544024	RMSJKWZECIFQEW-SNVBAGLBSA-N	308.303	3.659	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cc(C)cc(Cl)c2)c1	159929128	WCDZMNPGYMDCKM-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccccc2C)c1C	170869583	UYZURRGJARZOQG-GZTJUZNOSA-N	307.397	3.979	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC[C@@H]1CCc2ccccc21	182730930	DSHAHMUWJGAWCY-KTZOAPACSA-N	320.367	3.579	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccn2Cc2cccs2)cc1	194143848	PXIPWNOZVVGSQH-UHFFFAOYSA-N	311.410	3.663	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc(Br)c1	254353212	VJFCERMWELIQHP-UHFFFAOYSA-N	313.195	3.698	50	20	DHGD	
ClCCCOc1ccc(CN2CCC[C@H]2c2ncc[nH]2)cc1	367960414	ZGVZVZUHKOGRNB-INIZCTEOSA-N	319.836	3.755	50	20	DHGD	
Cc1ncsc1/C=C\C(=O)NNc1ccc(C(C)C)cc1	493237090	UHDGTYZCGARKOC-HJWRWDBZSA-N	301.415	3.731	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccc(C)cc2)[nH]n1)c1cccs1	585657469	ZDLZNWJEDGDGSH-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCCC[C@@H]1c1cc[nH]n1	616615458	YSPCPLHBLNTZDD-OAHLLOKOSA-N	309.530	3.959	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccc3ccccc3n2)o1	732762561	JPWHWVVAMCRVEF-WFASDCNBSA-N	319.364	3.715	50	20	DHGD	
CC[C@@H](Sc1ccccc1)C(=O)NNc1ccc(F)cc1F	733363054	KBKBMTNIUBXIKJ-OAHLLOKOSA-N	322.380	3.979	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)c1cc2c(s1)CCC2	735269932	LAILVHIIYOBSRL-LBPRGKRZSA-N	322.474	3.604	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccccc2C)C12CCCCC2	741456910	TYXTYESLWPABKA-KRWDZBQOSA-N	314.429	3.840	50	20	DHGD	
Cc1ccc([C@@H]2CCCC2=NNC(=O)c2ccc(O)cc2)cc1	741837746	MMEJIYAVILMFGQ-KRWDZBQOSA-N	308.381	3.754	50	20	DHGD	
CC[C@H](NC(=O)NNc1ccc(Cl)nc1)C1CCCCC1	745797012	FPYBFDXKERMIDY-ZDUSSCGKSA-N	310.829	3.720	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc(-c2ccc[nH]2)cc1	752789607	KMCZTQLEAAKKIU-UHFFFAOYSA-N	310.332	3.969	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)[C@@H]1CC12CCCC2	754154394	ZTVNYSOGSJRANI-JTQLQIEISA-N	316.298	3.868	50	20	DHGD	
CCCCCC=NNC(=O)c1ccc(OC(C)C)c(OC)c1	755564657	ANGODDXKMAGASC-UHFFFAOYSA-N	306.406	3.778	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNc2nccnc2C(C)C)cc1	770075314	BWHHLFGUPHJOML-UHFFFAOYSA-N	313.405	3.872	50	20	DHGD	
CCCN(Cc1ccc(OC)cc1)C[C@H](C)CBr	770648567	RXCDPSDICWESLK-CYBMUJFWSA-N	314.267	3.938	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1C[C@]12CCCc1ccccc12	771707440	PKHIYBZMRJLUOI-UZLBHIALSA-N	324.399	3.871	50	20	DHGD	
CC(C)(C)CCNC(=O)NNc1ccccc1OC(F)(F)F	779528198	AWVWGLARYXZHMN-UHFFFAOYSA-N	319.327	3.648	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1ccc(OCC)c(F)c1	779800641	YTKLQOAQJCUHER-PTNGSMBKSA-N	318.392	3.828	50	20	DHGD	
CCc1nc(NC(=O)[C@H](Br)C(C)(C)C)sc1C	781078542	BQZKFBWFQPUIBD-VIFPVBQESA-N	319.268	3.762	50	20	DHGD	
CCC(CC)n1ccc(COC(=O)/C(C#N)=C\c2ccccc2)n1	785344526	KSTNDSMWYKAVLX-VBKFSLOCSA-N	323.396	3.895	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCCCOc1ccc(Cl)cc1	786672433	ABWGFGKOKAOETO-RAXLEYEMSA-N	305.761	3.512	50	20	DHGD	
COc1ccc2nc(/C=C(/C#N)C(=O)C(C)(C)C)sc2c1	788687316	FUTLGXTUXMLZBQ-YFHOEESVSA-N	300.383	3.827	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)N[C@@H]1CC=CCC1	790374894	DSNKPYJAPSRZHU-LLVKDONJSA-N	300.189	3.728	50	20	DHGD	
Cc1cccnc1NNC(=O)c1ccccc1Oc1ccccc1	791216114	HIPKKKMGBYLJRK-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(C3CCCC3)C2)cc1	794196349	HLEFXRSVJDTDHB-BOPFTXTBSA-N	324.424	3.641	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NN=C[C@H]1CCCSC1	794895698	HIZMHPKWDXVTQR-OAHLLOKOSA-N	312.438	3.628	50	20	DHGD	
CC(=C/c1ccccc1C(F)(F)F)/C=C(\C#N)S(C)(=O)=O	799890698	VFCONFWFCQFFDU-MITUOZDPSA-N	315.316	3.561	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)C1(C(F)F)CCCC1	807924921	ZWHLTCKIBYJEGF-UHFFFAOYSA-N	322.277	3.974	50	20	DHGD	
CC(C)(Cc1cccc(Cl)c1)C(=O)NCC(Cl)Cl	808129399	SITFDCBSBQOSLZ-UHFFFAOYSA-N	308.636	3.829	50	20	DHGD	
Cc1cc(C)c(NC(=O)NNc2cccc(Cl)n2)c(C)c1	814478629	DUQCAGXFMFXXOX-UHFFFAOYSA-N	304.781	3.809	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)N(C)CC(Cl)Cl)cc1	816628636	DTFUKPUIMPOYEQ-UHFFFAOYSA-N	318.244	3.987	50	20	DHGD	
CCC[C@H](C)C(=O)NNc1ccc(OC)cc1C(F)(F)F	816703226	VBXIPNPIZCWFIQ-VIFPVBQESA-N	304.312	3.593	50	20	DHGD	
C[C@H]1SCC[C@@H]1NC(=O)NNc1cc(Cl)cc(Cl)c1	828555514	STCYWRZFIXRFHW-HQJQHLMTSA-N	320.245	3.514	50	20	DHGD	
C/C(=C/C(C)(C)C)C(=O)NNC(=S)Nc1cccc(C)c1C	854185999	DJEHEZUXCXJEAM-BENRWUELSA-N	319.474	3.613	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NNc1ncnc(Cl)c1C(C)C	854943170	GIUVTCNTVRKRHA-CQSZACIVSA-N	316.808	3.615	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccnc(Cl)c1	855465351	LQHAOJXZIUIQJF-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2F)CCCCC1	855622656	JOCSNVMLLSTZEM-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc3c2OCC3(C)C)cc1F	856228659	ZETAFEGKSNSINO-UHFFFAOYSA-N	314.360	3.561	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc2c(c1)COC2	857082128	LODJRXGADNGMLF-VQISRLSMSA-N	310.235	3.541	50	20	DHGD	
Cc1cccc(NNC(=O)C23CC4C[C@](C)(C2)C[C@@](C)(C4)C3)n1	862523889	BFEOMSPQGMWLSB-KOCGSPDRSA-N	313.445	3.830	50	20	DHGD	
CCOc1nccc(C)c1C(=O)NNc1cc(Cl)ccc1C	885127147	NVVFNBWBVCLTST-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C[C@@H]2CC=CCC2)cc1OC	916349035	UYQSHGAVVXIUCA-CQSZACIVSA-N	316.401	3.556	50	20	DHGD	
CSCc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	917368182	LFFXBBJUYSJNBT-UHFFFAOYSA-N	317.366	3.985	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cccc(O)c1	917371863	BVNOXLRVCPRKRX-UHFFFAOYSA-N	318.376	3.744	50	20	DHGD	
Cn1cccc1C(=O)NN=Cc1cc(-c2ccccc2)cs1	917541266	VCXXMRYWTLYCIM-UHFFFAOYSA-N	309.394	3.518	50	20	DHGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1	920398762	MRVGAQSTMJCXQL-SAPNQHFASA-N	323.392	3.872	50	20	DHGD	
N#C/C(=C\c1cn2cc(Cl)ccc2n1)C(=O)c1ccccc1	920755854	SBLSTULELIINSN-MDWZMJQESA-N	307.740	3.778	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)ccc1Cl	928339778	KMNSDCMGQUYMNB-CZUORRHYSA-N	324.852	3.933	50	20	DHGD	
O=C(CC(C1CC1)C1CC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	1115897633	LHHTWCDMNHZCLP-UHFFFAOYSA-N	323.780	3.518	50	20	DHGD	
O=C(CCl)N1[C@H](c2nc3ccccc3[nH]2)C[C@@H]2CCCC[C@@H]21	1261916900	IRKZLRLTOBPSSP-CQDKDKBSSA-N	317.820	3.634	50	20	DHGD	
CC(C)c1nc(CCNC(=O)C2CCC(Cl)CC2)cs1	1348761671	LSTKNJVDUZQIFP-UHFFFAOYSA-N	314.882	3.723	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CC2(CCC2)[C@H]1[C@H]1CCCO1	1358240194	ORTGXZCQQWUXNS-HZPDHXFCSA-N	319.832	3.599	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1sccc1C	55040854	MZSJNVZVLWQGLS-PTNGSMBKSA-N	307.374	3.858	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(OC(F)F)cc2)cc1	102438045	ZBBKVBNOOVUJON-UHFFFAOYSA-N	307.300	3.745	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1ccccc1OC	103141354	ZHCLNHNTMQAZOV-QINSGFPZSA-N	322.364	3.640	50	20	DHGD	
CC[C@@H](C)C(=O)NNc1ccc(Br)cc1Cl	104122398	QRBUIUKPTGUBKM-SSDOTTSWSA-N	305.603	3.592	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@H]1CSc2ccccc21	118495761	NLTKGWQHXMSQIP-AWEZNQCLSA-N	321.405	3.567	50	20	DHGD	
C[C@@]1(c2ccccc2)CN(/C(=C/C#N)c2ccc(F)cc2)CCO1	121795857	JSCUFZRUJFVNDR-FHTAPLDASA-N	322.383	3.938	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cnc(C(C)C)s2)c(C)c1	127119783	GRARBXNVVSOKRW-UHFFFAOYSA-N	303.431	3.949	50	20	DHGD	
CCc1ncc(C(=O)NNc2c(Cl)cccc2Cl)s1	133342796	MGVFCVVVQGQNCB-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
Cc1cccnc1NC(=O)NNc1ccccc1C(F)(F)F	145365579	UGWSPYBAEFWEKI-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C/c1c(C)nn(CCC)c1C	160708837	SONCKXSDDPQYKN-FOWTUZBSSA-N	316.449	3.513	50	20	DHGD	
Cc1ncsc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	172817400	NMFYHIMWQLOLPQ-ONNFQVAWSA-N	311.341	3.862	50	20	DHGD	
CC(C)(CC(=O)NNc1cc(Cl)ccn1)c1ccccc1	182982643	YBQQYDPDPHVBKL-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
C[C@@H](c1cccs1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188209732	PTTIGXXEYTULKP-GVIGZQTCSA-N	312.394	3.580	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNC(=O)CC2CCCC2)cc1	195208007	PQFCDELFZRZWAK-UHFFFAOYSA-N	320.458	3.528	50	20	DHGD	
CC(=NNC(=O)c1ccc(N)cc1)c1ccc2ccccc2c1	254351358	VOOYSRVETAVHRL-UHFFFAOYSA-N	303.365	3.576	50	20	DHGD	
Cc1ccc(-c2nnc([C@H](C)N3CC=C(C#N)CC3)o2)cc1C	368063362	QUVWXLFHMCAUBM-AWEZNQCLSA-N	308.385	3.570	50	20	DHGD	
CCSc1cccc(/C=C(/C#N)C(=O)NCc2ccco2)c1	490881242	XSAIFTYTEOMRRT-ZROIWOOFSA-N	312.394	3.615	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2csc(C)n2)c(Cl)c1	741765513	FKWLFZJZVWXMAH-UHFFFAOYSA-N	308.794	3.569	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2F)cc1Br	748056175	DUXYAFBBHRZTER-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1ccccc1Br	748066789	YDYPYFMNKLTGID-SRVKXCTJSA-N	323.234	3.719	50	20	DHGD	
CN(CCN(C)c1ccccc1)/C(=C\C#N)c1ccc(F)cc1	750800024	BXHQJCWWVLBYFS-UNOMPAQXSA-N	309.388	3.758	50	20	DHGD	
CC(C)CCO[C@H](C)C(=O)NNc1cc(Cl)ccc1Cl	752808486	VBZLUSXAQCLJDE-SNVBAGLBSA-N	319.232	3.888	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC=C(C)CC2)c1C	756043795	BOMBNGUWPNACPK-LDADJPATSA-N	311.429	3.601	50	20	DHGD	
CC[C@H]1CC[C@@H](C(=O)NN(c2ccccc2)c2ccccc2)O1	756906866	BIHXTSAFTYQOCX-ROUUACIJSA-N	310.397	3.814	50	20	DHGD	
C=C(C)COc1cc(/C=C(\C#N)c2ccncn2)ccc1OC	758915720	NKIHYTBCALWXGA-OVCLIPMQSA-N	307.353	3.504	50	20	DHGD	
C/C=C(/C=C/C(=O)NNC(=O)c1cccc2ccccc12)CC	765644400	VEWCLEWWWLJCJW-PODOKBDESA-N	308.381	3.513	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCCc2ccccc2C1	767989085	AFASGKQIKHIQTC-AWEZNQCLSA-N	324.262	3.771	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@@H](C)c2cnccc2C)c(C)c1	771439662	LHHMKGWSYHJSAA-HNNXBMFYSA-N	312.417	3.703	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)C2=Cc3ccccc3OC2)cc1	780802562	PXQWNCBZMQFZAH-UHFFFAOYSA-N	322.408	3.903	50	20	DHGD	
CC1(C)CCC1=NNC(=O)Cc1nc(-c2ccccc2)cs1	788975614	QFHDATCLJJEVEX-UHFFFAOYSA-N	313.426	3.645	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1CCC[C@H]1Cc1ccccc1	790733457	XDVZCIIFNJEPCK-LSDHHAIUSA-N	324.515	3.708	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@H]2Cc3ccc(F)cc32)cc1	793798240	CZZHAYYEJDXSFN-KRWDZBQOSA-N	312.388	3.906	50	20	DHGD	
CC(C)n1nccc1/C=C(\C#N)C(=O)c1cc(F)cc(F)c1	794874681	NBKBLRBHIOMYIY-KPKJPENVSA-N	301.296	3.532	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)c1ncc(C(C)(C)C)s1	797399966	YJPVRRYEWYCHPG-YRNVUSSQSA-N	300.431	3.801	50	20	DHGD	
C[C@@H](NC(=O)[C@H](Br)C(C)(C)C)c1ccsc1	801439481	JOMQAZFZHNOGJM-SCZZXKLOSA-N	304.253	3.735	50	20	DHGD	
C[C@@H]1CSC[C@H]1NC(=O)CCCC[C@H]1CCSS1	803530015	DSOKLUOACVHCOI-GRYCIOLGSA-N	305.534	3.568	50	20	DHGD	
O=C(CCCCCc1ccc(F)cc1)NNc1cccc(F)n1	804769909	RWGVWPSXTMIASG-UHFFFAOYSA-N	319.355	3.606	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3c(c2)C(C)(C)CO3)c1	810046643	SRSBOSKMDMISKC-UHFFFAOYSA-N	310.397	3.730	50	20	DHGD	
C[C@@H](Cc1ccccc1Cl)C(=O)NNc1cccc(Cl)n1	817008496	UPHVAGHHZNJHDN-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
Cc1ccc(C(=O)NN(C)C2CC2)c(Sc2ccccc2)c1	819650260	WMDNZFKBZIDMJM-UHFFFAOYSA-N	312.438	3.885	50	20	DHGD	
C[C@H](CBr)COC(=O)CC[C@@H]1CC1(Cl)Cl	849875305	GZWBIQMDTQEGDT-HTQZYQBOSA-N	318.038	3.535	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)n1)[C@@H]1C[C@H]1c1cccs1	853410136	CPFQCMMAUIYIIQ-WDEREUQCSA-N	319.817	3.706	50	20	DHGD	
Cc1ccc(CO[C@H](C)C(=O)NNc2cc(C)cc(C)c2)cc1	860317145	WLTCFZBZTRTFFA-MRXNPFEDSA-N	312.413	3.660	50	20	DHGD	
CC(C)[C@@H](C(=O)NN[C@H](C)C(F)(F)F)c1cccc(Cl)c1	862310777	FPXMURATEJEENJ-BXKDBHETSA-N	322.758	3.651	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(F)c2Cl)c(C2CC2)n1	862508801	ZGICPROGRSFISB-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
Cc1ccccc1C=NNC(=O)CCSc1ccc(F)cc1	916345894	HKBOULWUYOJUQH-UHFFFAOYSA-N	316.401	3.767	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(Cl)cc2C)CCO1	928337162	LYERMYYROAODDE-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
Cn1cc(C=NNC(=O)c2ccccc2Cl)c2ccccc21	1116380636	RFGYTRRCILLSHM-UHFFFAOYSA-N	311.772	3.596	50	20	DHGD	
CS[C@@H]1CC[C@@H](N(C)C(=O)[C@@H](Br)C(C)(C)C)C1	1325600923	OBAUAFHKLZKURN-GMTAPVOTSA-N	322.312	3.539	50	20	DHGD	
O=C(NCCc1c[nH]c2ccccc12)C1CCC(Cl)CC1	1348424932	PFTFGYDOOHSVST-UHFFFAOYSA-N	304.821	3.624	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(F)cc1C)c1ccc(F)cc1	127815384	HADNHDNCGXKMLT-OAHLLOKOSA-N	304.340	3.910	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccc(OCc2ccncc2)cc1	128086061	SQAXVSHHRZYZDA-GZTJUZNOSA-N	306.365	3.793	50	20	DHGD	
Cc1ccc2ncc(/C=C(/C#N)C(=O)c3ccc(F)cc3)n2c1	151398747	NXCUCKJGZKBYJH-ZSOIEALJSA-N	305.312	3.572	50	20	DHGD	
N#Cc1ccc(NNC(=O)Cc2cc(Cl)ccc2Cl)cc1	155506823	ADLLKQHZMUGVBH-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
CC[C@@H](C)Oc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1	158308787	SYFDXKAUSCAESD-CYBMUJFWSA-N	324.384	3.884	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(C)s2)cc1F	170933502	XHUHDEXTBDDWDL-KPKJPENVSA-N	301.342	3.994	50	20	DHGD	
CS[C@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	183057863	ZXAYIXMZUQGBRW-IJVTXNRDSA-N	318.417	3.523	50	20	DHGD	
CC[C@H](NC(=O)/C(C#N)=C\c1ccc(OC)cc1)c1ccccc1	194866270	AADIXJPGFQWIOT-LYDJUCFBSA-N	320.392	3.870	50	20	DHGD	
CS[C@@H]1CCCCN(/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)C1	255025605	UYKXJFRMINEMOQ-AVIKPIRVSA-N	317.414	3.677	50	20	DHGD	
CC(C)(CC(=O)NCC(Cl)Cl)CC(=O)c1ccccc1	294723429	PMXYOGLNNZILSP-UHFFFAOYSA-N	316.228	3.596	50	20	DHGD	
COc1ccc(NNC(=O)Cc2coc3c(C)c(C)ccc23)cc1	729274309	UWGAUHMIKKWSEN-UHFFFAOYSA-N	324.380	3.744	50	20	DHGD	
CC[C@@H](C)[C@@H](C(=O)NNC(=O)CC1CCCC1)c1ccccc1	735116079	ZAAXGSBTRHTMJH-RDTXWAMCSA-N	316.445	3.544	50	20	DHGD	
O=C(NN=Cc1coc2ccccc12)c1cc2ccccc2o1	746577298	DPVMREQBIPVMOU-UHFFFAOYSA-N	304.305	3.943	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2ccc(-c3ccccc3)nn2)C1	756780307	BKWRJYSLTUNWOG-HNNXBMFYSA-N	324.428	3.803	50	20	DHGD	
C[C@@H]1C[C@H]1C=NNC(=O)c1cc(-c2ccco2)nc2ccccc12	758368623	ZNLRLUHRTWOGEZ-OLZOCXBDSA-N	319.364	3.866	50	20	DHGD	
Cc1cc(C=NNC(=O)COc2ccc(Cl)cc2)c(C)s1	760232125	ZRPMUKIOVDWAEW-UHFFFAOYSA-N	322.817	3.547	50	20	DHGD	
CCC1(C)CCN(C(=O)[C@H](Br)C(C)(C)C)CC1	767933765	AQBSRLSDKKFMHO-NSHDSACASA-N	304.272	3.835	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)[C@@H]1CC12CCCC2	779218460	ZWSNVRSVZWPFCK-JTQLQIEISA-N	314.307	3.609	50	20	DHGD	
C[C@@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780803941	SHFKHEIPYZBDLR-RBSFLKMASA-N	317.477	3.689	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)ccc1OC(F)F	781556539	ZGDUIXLDAOVCRC-JYRVWZFOSA-N	321.323	3.963	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)ccc1OC(F)F	781556540	ZGDUIXLDAOVCRC-MDWZMJQESA-N	321.323	3.963	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)cc1)c1c[nH]c2ccccc12	786826880	AHGFTVISDZXTQL-GFCCVEGCSA-N	311.360	3.944	50	20	DHGD	
Cc1cc(C=NNC(=O)CCCc2ccccc2)cc(Cl)n1	788715369	VUYLAUJZAQTDKK-UHFFFAOYSA-N	315.804	3.516	50	20	DHGD	
COc1cc(NNC(=O)C2(c3ccccc3)CC2)ccc1Cl	790177751	LJSKSVGWFUASKA-UHFFFAOYSA-N	316.788	3.524	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ncccc2C)cc1Cl	792247006	USPYIKRSETWIFJ-UHFFFAOYSA-N	320.780	3.591	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)(F)F)cc1)C(=O)C1CCOCC1	794953446	NEHQZXQCBLRYLK-UKTHLTGXSA-N	309.287	3.608	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc3ccccc3[nH]2)ccc1C#N	799495353	NHFYWDDXYIMUNG-RIYZIHGNSA-N	300.321	3.507	50	20	DHGD	
CC(C)c1[nH]ccc1C(=O)NNc1ccccc1Br	802825234	LHHCDZBUUGSJKD-UHFFFAOYSA-N	322.206	3.658	50	20	DHGD	
CCCC[C@@H](C)C(C)=NNC(=O)c1nnc(-c2ccccc2)o1	807966986	VGQZYGIQIIBUMI-GFCCVEGCSA-N	314.389	3.669	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@H](C)C(=O)N(C)CC(Cl)Cl	808248322	GALOLUZROZVCBD-SECBINFHSA-N	324.635	3.678	50	20	DHGD	
CCC(=NNC(=O)Nc1ccc(Cl)cc1)C1CCOCC1	815004663	JQUZBXNMFSLPLA-UHFFFAOYSA-N	309.797	3.654	50	20	DHGD	
N#C/C(=C/c1ccc(N)nc1)c1nc2cc(Cl)ccc2s1	821040501	YTATVKISUBLRCJ-YHYXMXQVSA-N	312.785	3.991	50	20	DHGD	
C[C@@H]1CCC[C@H](CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	833612170	RYTKQCCWQGHQFQ-MNOVXSKESA-N	324.808	3.698	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@H]2CCCC[C@@H]2C)c(OC)c1	834954979	DXCYFUCYVCZMQC-WFASDCNBSA-N	318.417	3.636	50	20	DHGD	
CC[C@@H](C)CC=NNC(=O)c1cc(F)ccc1Br	834956401	ODALTNKTMRLDKH-SECBINFHSA-N	315.186	3.740	50	20	DHGD	
C[C@@H]1CC[C@H](CCC(=O)NNc2cccc(Cl)c2Cl)O1	838349432	RBWISIDJPHYXRH-NXEZZACHSA-N	317.216	3.784	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC1CCC(F)(F)CC1	838529861	WTHJIMVFVOINLV-UHFFFAOYSA-N	317.767	3.852	50	20	DHGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1ncnc(Cl)c1C(C)C	840544675	HXMNCZZFOUGWDP-QWRGUYRKSA-N	310.829	3.523	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2ccc3c(c2)CCCO3)c(C)c1	843831468	UYIMBNGGJKXAEO-UHFFFAOYSA-N	324.424	3.623	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1SCCc2sccc21	855366999	NWFXAXJCKFEATB-CQSZACIVSA-N	322.430	3.669	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(F)ccc2C)cc1C1CC1	855368963	CDNNAVZADDQKGB-UHFFFAOYSA-N	314.360	3.777	50	20	DHGD	
CCn1cc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)c(C)n1	899337695	FAIMAANRIPISLD-SXGWCWSVSA-N	322.412	3.682	50	20	DHGD	
Cn1c(/C(C#N)=C\c2cnn(C3CCC3)c2)nc2ccccc21	899338355	OTGIHSQHCKWTQS-ZROIWOOFSA-N	303.369	3.559	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1nc(C)sc1C	916278246	KAVJXQKXSRJMAN-UHFFFAOYSA-N	307.806	3.567	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1ccc(F)c(-c2cccs2)c1	917561303	ADGHXUOYCAZFKQ-WUXMJOGZSA-N	320.352	3.721	50	20	DHGD	
CCCCCCC(C)=NNC(=O)CNc1ccccc1OC	917567931	IHVLSNVHHOSMPX-UHFFFAOYSA-N	305.422	3.570	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCC1CCOCC1	1343664324	VWWZPHRCCYQPJV-UHFFFAOYSA-N	319.449	3.561	50	20	DHGD	
CC(C)(CC(=O)NNc1cccc(C(=O)O)c1)C1CCCCC1	1603575120	PCMPAMCFFUPTTP-UHFFFAOYSA-N	318.417	3.825	50	20	DHGD	
COc1ccc(-c2csc(NC=C(C#N)C#N)n2)cc1Cl	7066840	LMOHHXLSTZCPIM-UHFFFAOYSA-N	316.773	3.815	50	20	DHGD	
CCOc1ccccc1C(=O)Oc1ccc([N+](=O)[O-])c(C)c1	113195422	CZIZLEZAJAVTEE-UHFFFAOYSA-N	301.298	3.521	50	20	DHGD	
CC1(C)CCC(C)(C)c2cc(C(=O)NNc3cnccn3)ccc21	114878541	JAUKMJNWRKCVHE-UHFFFAOYSA-N	324.428	3.583	50	20	DHGD	
Cc1csc(NC(=O)NNc2c(Cl)cccc2Cl)n1	131660389	GSOCTXAXDYWOFC-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ccc(OC(F)(F)F)cc1	134289028	OKLUPGLUFHEVOX-UHFFFAOYSA-N	314.307	3.797	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1Cl	152170894	PTKMRYRVKMCHBF-UXBLZVDNSA-N	316.710	3.792	50	20	DHGD	
CC(C)(C(=O)NNc1cc(F)c(F)cc1F)C1CCCC1	152723906	NNFOXVSJCODGIZ-UHFFFAOYSA-N	300.324	3.763	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	179606235	UYHXEMCIOQFQCS-IZZDOVSWSA-N	317.751	3.565	50	20	DHGD	
O=C(/C=C/c1ccc(O)cc1)NNc1cc(Cl)ccc1Cl	492608402	AMXLGFYOSKFVSM-FPYGCLRLSA-N	323.179	3.856	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CCCc2ccccc2C1	588430251	BUHRCDBUPYNGOM-PDGQHHTCSA-N	320.367	3.708	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1F	588619040	FUMAXZODHPJJMP-GDNBJRDFSA-N	324.355	3.997	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2nccc3ccccc23)cc1	740760824	AZUYTRIQGXGHOU-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
CC(C)(C(=O)NN=Cc1nccc2ccccc12)c1ccccc1	740761999	VCYOOJSXBLLPJT-UHFFFAOYSA-N	317.392	3.663	50	20	DHGD	
Cc1cc(Cl)ccc1O[C@@H](C)C(=O)NNc1cccc(F)c1	748090189	AUNHUZBGIGLBON-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(Cl)nc(C)n1)C1CCC(C)CC1	764460887	BSIJEFDAYXSNCS-KGPNIALWSA-N	324.856	3.734	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1cncc2ccccc12	765605269	SMTHKNZKBZKSJC-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
CC(CCCCO)=NNC(=O)c1cc2c(s1)CCCCCC2	766691531	ZAIUDZHJQOADGG-UHFFFAOYSA-N	322.474	3.675	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2c(F)ccc(F)c2F)c(C)c1	773459929	ULDUTFNNEYFUEN-UHFFFAOYSA-N	308.303	3.786	50	20	DHGD	
N#CC1=CCN(C(=O)CSc2ccc3ccccc3c2)CC1	780687195	NUKQHRZHIMVISU-UHFFFAOYSA-N	308.406	3.614	50	20	DHGD	
CCN(C(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1C	787049642	CBYFVMHBUFCKCU-VBKFSLOCSA-N	306.365	3.661	50	20	DHGD	
CCCCCCCC(=O)Nc1cccc(NC(=O)NN(C)C)c1	788255081	UQJUYYCQYAJAFI-UHFFFAOYSA-N	320.437	3.584	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc2nc[nH]c2c1	792517815	MGCSDDBQNFRSKL-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
CCc1onc(-c2ccccc2)c1C(=O)NNc1ccc(C)cc1	794924960	ZDYSKTMPPWKCHB-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(\C#N)C(=O)C3CCOCC3)co2)cc1	794958197	JMVXYWMJZVYQOD-MHWRWJLKSA-N	322.364	3.553	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NCCCc1cccs1	799614532	OKLNOFPLZSXPSD-UHFFFAOYSA-N	317.458	3.878	50	20	DHGD	
C[C@@H](Oc1ccccc1F)C(=O)NN=C1CCC[C@H]1CCCF	800808044	LWLRWMOOZFRHQT-OLZOCXBDSA-N	324.371	3.615	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNC(=O)Cc1ccc(Cl)cc1	804173140	HHKOWAQKNCWOCG-UHFFFAOYSA-N	324.852	3.636	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cnc(-c2ccccc2)s1	808246584	FXXDCOYOVGYAFQ-UHFFFAOYSA-N	315.225	3.686	50	20	DHGD	
CC1(C)Cc2cc(/C=C(\C#N)c3ccc([N+](=O)[O-])cn3)ccc2O1	812244955	NZXGNPBQMSTLJA-RIYZIHGNSA-N	321.336	3.767	50	20	DHGD	
CO[C@](C)(C=NNC(=O)c1cc2c(s1)CCCCC2)C1CC1	814767693	QEVCHJFPUTYUIE-QGZVFWFLSA-N	320.458	3.548	50	20	DHGD	
CN(NC(=O)c1sc2cc(Cl)ccc2c1Cl)C1CC1	819642653	MNADOHSAASRZOZ-UHFFFAOYSA-N	315.225	3.947	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NC[C@H](C)c1nccs1	838551576	ZRGMLAMWDMKHLH-JTQLQIEISA-N	324.837	3.535	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(CCC(=O)NNc2ccnc(Cl)c2)o1	855469726	PWDBJDBGRGEKNT-GWCFXTLKSA-N	319.792	3.527	50	20	DHGD	
O=C(OC[C@@H](CBr)C1CC1)c1ccc(Cl)o1	859479918	TUYBCTRPYVAZOU-MRVPVSSYSA-N	307.571	3.511	50	20	DHGD	
C[C@]1(C(=O)Nc2cccc(C(F)F)c2)C[C@@H]1Br	906500994	KBKZBDCHMHSWOA-CABZTGNLSA-N	304.134	3.736	50	20	DHGD	
CCc1c(C(C)=NNC(=O)c2ccncc2)oc2ccc(C)cc12	916242794	DMCCGDZFFHYYIV-UHFFFAOYSA-N	321.380	3.853	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCC[C@H](C)C2)c1C	916336829	PQBCVJBGPRTQJJ-WFASDCNBSA-N	302.418	3.753	50	20	DHGD	
Cc1cc(OC(=O)c2ccc(-c3cnco3)cc2)ccc1[N+](=O)[O-]	918491713	FPNRPIPYXGAHLA-UHFFFAOYSA-N	324.292	3.777	50	20	DHGD	
Cc1cc(C)n([C@H](C)CC(=O)NNc2ccc(Cl)cc2C)n1	928336695	YXXWVGYCYFMTKM-CYBMUJFWSA-N	320.824	3.556	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)[C@@H](Br)C(C)(C)C)c(C)o1	1337488002	NXSFLJYACYOENW-JOYOIKCWSA-N	316.239	3.883	50	20	DHGD	
COc1cccc(C[C@H](C)NC(=O)C2CCC(Cl)CC2)c1	1548645811	FKWZEZGFAUDOIP-GRTSSRMGSA-N	309.837	3.540	50	20	DHGD	
CCCCCC1=CCCC1=NNC(=O)c1ccc(C(=O)O)cc1	1776098885	DRNLGJNSXLBFGZ-UHFFFAOYSA-N	314.385	3.771	50	20	DHGD	
CN(NC(=O)c1cc(C2CC2)nc2ccccc12)c1ccccc1	8358447	WGJOPZZDBGLPDK-UHFFFAOYSA-N	317.392	3.893	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)NC(C)C)s2)cc1	114991197	IYSBISMYDSZQGT-ZSOIEALJSA-N	311.410	3.550	50	20	DHGD	
O=C(/C=C/c1cccc(F)c1)NNc1cccc2c1CCCC2	120145144	AALPRVJCAUDTBJ-VAWYXSNFSA-N	310.372	3.861	50	20	DHGD	
C/C(=C/C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	122421185	ZFFZXXIESJTCIL-QXMHVHEDSA-N	318.323	3.835	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NNc1c(Cl)cccc1Cl	133281277	HAWLEGSYSXMFJE-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccc(CC)o2)cc1	155155792	DESOGJDUIXDIJV-ACCUITESSA-N	310.353	3.786	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3nc(C)ccc3c2)c1	158815869	SRWVJWCDBSTOFW-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CN(C(=O)CCCC[C@H]1CCSS1)[C@@H]1CCSC1	162534179	SMMUOSGEUUEKCY-NEPJUHHUSA-N	305.534	3.664	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1coc(-c2ccc(C)cc2)n1	176855205	GYWDUQCTUVRKNH-XNTDXEJSSA-N	310.353	3.900	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)Nc1ccc(C(C)(C)C)cc1	182867889	TYSCNSKKJFBPFD-UHFFFAOYSA-N	307.394	3.545	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)/C=C/c1ccc2ccccc2n1	184298784	LFGRNWUNIQFNGZ-VAWYXSNFSA-N	321.355	3.839	50	20	DHGD	
CC(C)[C@H]1CCCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)CC1	194610339	CYZGKXUWFCZSAO-BQGMYUGNSA-N	312.413	3.584	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2nccs2)cc2cccnc12	491085840	RSESROPWBKKWES-ZROIWOOFSA-N	320.377	3.545	50	20	DHGD	
CCC(=O)NN=Cc1cccc(OCCCc2ccccc2)c1	731923561	RXCMFTAUDBFXBE-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
O=C(NN[C@H](Cc1ccccc1)c1ccccc1)C1CCCC1	732915631	DLGMWMQVZBBPNR-LJQANCHMSA-N	308.425	3.781	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc(C(F)F)c1	734250423	URWSWQVDXCBJTO-UHFFFAOYSA-N	319.336	3.991	50	20	DHGD	
CC(C)[C@@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1F	740082699	RTPTUMDMVLCNLF-OAHLLOKOSA-N	318.367	3.923	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)cc1)NC1CCCC1	743531935	GXYBGVXAFWAHKW-UHFFFAOYSA-N	307.397	3.929	50	20	DHGD	
Cc1ncc(C(=O)NNc2ccc(F)cc2)c(Cl)c1Cl	749187991	DYXDBMJHTKXCJP-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
Cc1c(C(=O)NNc2cccnc2Cl)oc2c(F)cccc12	754485144	KKXODCZUIJDJPH-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2nccc3sccc23)C1	756772637	NRLWQLBDRRJOTA-LLVKDONJSA-N	303.431	3.956	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	756787158	GSXWFSMCPDZHKD-JHJVBQTASA-N	307.825	3.785	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1nc2ccc(F)cc2s1	761489081	ZFJSFAPESYZSSI-DHZHZOJOSA-N	324.402	3.515	50	20	DHGD	
Cc1cccc(CSCC(=O)NNc2c(C)cccc2F)c1	771706665	IMDUYSOZMJIKBR-UHFFFAOYSA-N	318.417	3.819	50	20	DHGD	
O=C(NN=C1CCCNc2ccccc21)c1cc2ccccc2o1	774387263	ABILKABNSJMHJI-UHFFFAOYSA-N	319.364	3.773	50	20	DHGD	
Cc1ccc(CCC=NNC(=O)c2cccc3ccccc23)cn1	774387324	PFGLGPICXADJIA-UHFFFAOYSA-N	317.392	3.892	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)c1ccc[nH]1	780845819	WYFGNIPYSFGGKR-LBPRGKRZSA-N	300.406	3.700	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)C1CCCC1	781552719	CLNXVVAXOMOFPN-GHXNOFRVSA-N	320.186	3.821	50	20	DHGD	
CC[C@H]1CC[C@H](C(=O)NNc2ncccc2C(F)(F)F)CC1	783901257	XKDKPHMCAXSKCT-XYPYZODXSA-N	315.339	3.760	50	20	DHGD	
CCOc1cccc(C(=O)NNc2ccc(Cl)c(OC)c2)c1	790168689	PKORNLNUCKHBHM-UHFFFAOYSA-N	320.776	3.504	50	20	DHGD	
CSSCCNC(=O)C(C)(C)Oc1cccc(Cl)c1	791151657	BASFTGUERXOEOK-UHFFFAOYSA-N	319.879	3.625	50	20	DHGD	
Cc1csc(C(=O)NNc2ncccc2Cl)c1Cl	792328371	NCKKWTKWNFWFKS-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C(C)(C)C)cc2)cc1C#N	799718450	BENCQIWVPSUWGC-UHFFFAOYSA-N	307.397	3.921	50	20	DHGD	
Cc1ccccc1[C@@H](NC(=O)NNc1ncccc1F)C(C)C	805107436	SYEQVGZRFCWYCC-HNNXBMFYSA-N	316.380	3.553	50	20	DHGD	
CC(C)(C#N)[C@H]1CCCC1=NNC(=O)c1cc2c(s1)CCC2	814739069	YWLLFCLUZHQULR-LBPRGKRZSA-N	315.442	3.672	50	20	DHGD	
Cc1sc(Cl)nc1C(=O)NNc1ccc(C(C)C)cc1	837058005	IUZDDDLKZPWZQB-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(CCn2ccnc2)CC1	844344509	ABBASFJTFFDZAP-UHFFFAOYSA-N	323.557	3.617	50	20	DHGD	
O=C(Oc1ccc([N+](=O)[O-])c2ncccc12)[C@@H]1C[C@@H]2C=C[C@H]1CC2	844483624	YBYPGIYXHNDDSU-MBNYWOFBSA-N	324.336	3.651	50	20	DHGD	
CCOc1ccc(NNC(=O)CCCc2ccc(F)cc2)cc1	848140541	ADYIGMMZXCOMCQ-UHFFFAOYSA-N	316.376	3.690	50	20	DHGD	
Cc1ccc(-c2ncc(/C=C(/C#N)C(=O)NC3CC3)s2)cc1C	848639670	XHARKLRMCVOOSC-ZSOIEALJSA-N	323.421	3.613	50	20	DHGD	
CCc1ccc(C(C)(C)C(=O)NNc2ccnc(Cl)c2)cc1	855468436	XOMCBYXUGGKKKO-UHFFFAOYSA-N	317.820	3.718	50	20	DHGD	
COc1cccc([C@@H](C)NC[C@@H](CBr)C2CC2)c1	859227115	YUZMTHLJGNZIEF-BXUZGUMPSA-N	312.251	3.767	50	20	DHGD	
CC(C)c1nocc1C(=O)NNc1ccc(C(C)(C)C)cc1	860685649	VACMRCUQRNLPEZ-UHFFFAOYSA-N	301.390	3.852	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)c1csc2c1CCCC2	885146312	SSFNWFDHTRSPRH-UHFFFAOYSA-N	308.353	3.662	50	20	DHGD	
CCO[C@@H]1CCCC(=NNC(=O)c2cccc3ccccc23)C1	905447251	VVJJMWUHWJRUNP-MRXNPFEDSA-N	310.397	3.905	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1	912583069	TZQXJPXZASNDFN-XVJNWHFHSA-N	320.509	3.651	50	20	DHGD	
CCCSCC(=O)NN(c1ccccc1)c1ccccc1	917528233	IXLSAMMRWMAJAM-UHFFFAOYSA-N	300.427	3.999	50	20	DHGD	
CC(CCc1cccc(C(F)(F)F)c1)=NNC(=O)c1ccc[nH]1	920373019	MVMKJZZRZQHJRD-UHFFFAOYSA-N	323.318	3.772	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)NCc3ccco3)o2)cc1	920829380	NVYXTGSVQDIVTJ-UHFFFAOYSA-N	323.352	3.681	50	20	DHGD	
Cc1cc(OC(=O)[C@H](C)Cc2ccc(F)cc2)ccc1[N+](=O)[O-]	921000742	GPRGHVIRRRGKMH-GFCCVEGCSA-N	317.316	3.827	50	20	DHGD	
Cc1nn(CCCl)c(C)c1C(=O)Nc1ccc(C(C)C)nc1	928620552	HZRPLYJOKWPLEK-UHFFFAOYSA-N	320.824	3.509	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2ccccc2Cl)o1	1115818764	WGCAPDUKHDBHCY-MFKMUULPSA-N	302.761	3.820	50	20	DHGD	
Cc1ccc2c(c1)S[C@H](C(=O)NNc1ccc(Cl)cc1)C2	1319389689	OYAXXAOCRVSUJJ-HNNXBMFYSA-N	318.829	3.809	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)c(F)c1	1776682911	MFYNUFZRJJAWCC-YHYXMXQVSA-N	307.296	3.575	50	20	DHGD	
CCOc1ccc(SCC(=O)NNc2ccc(C)cc2)cc1	119887882	QFYUMOSXNIHDSI-UHFFFAOYSA-N	316.426	3.629	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cn1)c1coc2ccccc12	132266752	PDSPLNSEWHVZCP-UHFFFAOYSA-N	321.258	3.604	50	20	DHGD	
N#Cc1ccc(C(=O)NNc2ccc3ccccc3n2)cc1Cl	134171667	JGBLEWOYUURWPG-UHFFFAOYSA-N	322.755	3.517	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)Cc2c[nH]c3cc(C)ccc23)c1	150765217	MJEQAMYICWLMSW-UHFFFAOYSA-N	311.360	3.610	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H](c1ccccc1)C1CC1	158932029	SMCKSAUIHBPZAK-INIZCTEOSA-N	302.324	3.602	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(C(F)(F)F)nc2C)c1	178987267	UGIXMLCYPCYVKL-UHFFFAOYSA-N	323.318	3.783	50	20	DHGD	
CN(c1ccccc1)c1ccccc1C(=O)NNc1ccccn1	181179918	ANZHWIPEXXDSCO-UHFFFAOYSA-N	318.380	3.606	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1csc2ccccc12	192096357	NOKDUIXIUGXIIF-UKTHLTGXSA-N	305.424	3.981	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN(CCO)Cc1ccccc1	223020209	COXAWOCOXHEAKE-UHFFFAOYSA-N	309.526	3.503	50	20	DHGD	
O=C(NN=Cc1cccc(Oc2ccccc2)c1)c1ccccn1	254343413	PGMCGODIZBNOFO-UHFFFAOYSA-N	317.348	3.638	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	255171989	RIBWGRBAVJQBPX-MPMPPSQCSA-N	308.356	3.919	50	20	DHGD	
CCN(C)c1ccc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cn1	588577922	KLGWBDUXUGOHSF-BOPFTXTBSA-N	305.381	3.636	50	20	DHGD	
C=CCC(=NNC(=O)c1ccccc1F)c1ccc(F)cc1	735609044	LUELKWKXXOJPOR-UHFFFAOYSA-N	300.308	3.675	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)c1	748395326	MGVHQWWOIPYEKA-PXNSSMCTSA-N	306.409	3.651	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(C)c(C)c1O	749832117	RYDFXYSJFCULOG-UHFFFAOYSA-N	322.364	3.909	50	20	DHGD	
CC1(C)CCC[C@@H](C=NNC(=O)COCc2ccccc2)C1	752733846	JQIITLMTBWBXEV-MRXNPFEDSA-N	302.418	3.522	50	20	DHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2CC(=O)NNc1ccnc(F)c1	754297845	BAZZHLWORQTBTJ-CHWSQXEVSA-N	313.376	3.653	50	20	DHGD	
Cc1ccnc(NNC(=O)c2cccc(Nc3ccccc3)c2)c1	755846310	WPAVPXXJDYGGEP-UHFFFAOYSA-N	318.380	3.891	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H](C)CCC2CC2)cc1	769644212	GDDQKLIZSHAPRW-VMOJBDSFSA-N	312.413	3.687	50	20	DHGD	
CCCCSCCC(=O)NNc1c(F)cccc1Cl	770203515	OECZSZMKVYXMFR-UHFFFAOYSA-N	304.818	3.846	50	20	DHGD	
CC/C(C)=C(/C)C(=O)NNc1ccc(Br)c(F)c1	771691525	NTQFPNWMABHXER-HJWRWDBZSA-N	315.186	3.778	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)C=C1CCSCC1	772218617	IKUJEJPWWGQXSE-UHFFFAOYSA-N	307.371	3.570	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(Cl)nc2)ccc1[N+](=O)[O-]	774559771	IRFMNRVDVJQDPJ-SDQBBNPISA-N	315.716	3.716	50	20	DHGD	
CCc1ccnc(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)c1	775493143	NCNDTYSBBNOURV-UHFFFAOYSA-N	322.320	3.925	50	20	DHGD	
C=CCC[C@@H](C(=O)NNc1cccc(C#N)c1)c1ccccc1	779008356	LZLFXZJLFRQGNY-GOSISDBHSA-N	305.381	3.751	50	20	DHGD	
C/C(C=NNC(=O)c1ccccc1C)=C\c1cccc([N+](=O)[O-])c1	787152352	GPAOBEWJPQMOQJ-GIMJTVCNSA-N	323.352	3.722	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)Cc1ccc(F)cc1	788705420	VXNBMGQOPHNPBQ-UHFFFAOYSA-N	318.779	3.734	50	20	DHGD	
N#C/C(=C\c1cccc2nccn12)C(=O)c1ccc2ncccc2c1	794965216	PMMAFXFVAZOPFE-FOWTUZBSSA-N	324.343	3.672	50	20	DHGD	
C=C(CBr)COC(=O)c1csc(C(C)(C)C)n1	795483471	QMXWMNUZZGGXAH-UHFFFAOYSA-N	318.236	3.549	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/C(C)=C\c1ccccc1C(F)(F)F	799889907	VGWKHJSLGNJBJZ-SPEXVAAVSA-N	320.314	3.861	50	20	DHGD	
CSSCCNC(=O)N[C@H](c1ccccc1)C(F)(F)F	806427439	HPRNKXIUOLGMSV-SNVBAGLBSA-N	324.393	3.600	50	20	DHGD	
Cc1oc(-c2ccccc2)nc1C(=O)N(C)CC(Cl)Cl	808248091	BPAWVPVODJFARD-UHFFFAOYSA-N	313.184	3.526	50	20	DHGD	
COc1ccc(C(CCC(C)C)=NNC(=O)c2ccc[nH]2)cc1	814778371	BTCLLJLNLDQFMS-UHFFFAOYSA-N	313.401	3.594	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(C3CCC3)cc2)c1	814836827	WGORQJGVSSLIEB-UHFFFAOYSA-N	303.365	3.590	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@H](C)c1cccc(Cl)c1	816338527	NHHMKRFRKRKWET-SNVBAGLBSA-N	322.767	3.735	50	20	DHGD	
CC[C@H](C)[C@H](C(=O)NNc1ncc(F)cc1F)c1ccccc1	837206951	QATVXAVSMKSMBJ-NHYWBVRUSA-N	319.355	3.633	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNC(=O)Nc1ccccc1	843879918	GYWDCINNIKSNHW-CQSZACIVSA-N	303.406	3.612	50	20	DHGD	
CN(N=Cc1cccc(F)c1OC(F)F)C(=O)OC(C)(C)C	853291969	LTOOZKXCWFIQBD-UHFFFAOYSA-N	318.295	3.628	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2cc(F)ccc2C)s1	853472767	BPWAONILMIFFPT-NSHDSACASA-N	307.394	3.891	50	20	DHGD	
Cc1ccccc1COCC(=O)NNc1ccc(C(C)C)cc1	857282653	XVLKVCRXDMCQIR-UHFFFAOYSA-N	312.413	3.778	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)N[C@@H]1CCCC[C@H]1C	915843511	DQABRAFWARXMCK-XPXRORMKSA-N	312.413	3.687	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1ccc(OCC(F)(F)F)cc1	920478928	GMYPTGSASLDQNG-SNVBAGLBSA-N	316.323	3.514	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCCC(F)(F)C2)ccc1Cl	928339709	IFVCJNDORWWHCR-SNVBAGLBSA-N	302.752	3.917	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2ccc(Cl)c(C)c2)cc1C	928339895	NSYLWPOXRKSIND-NSHDSACASA-N	320.824	3.881	50	20	DHGD	
CC(C)C(=NNC(=O)c1ccc(Br)cc1)C1CC1	1318265657	GQUJTPJCTQSBOC-UHFFFAOYSA-N	309.207	3.601	50	20	DHGD	
N#C/C(=C/c1cc(Cl)cs1)c1nc(N)c2ccccc2n1	1321297285	RHEQCSQLBDBKFF-UITAMQMPSA-N	312.785	3.991	50	20	DHGD	
O=C(NN=Cc1ccc2c(c1)CCC2)C12CC3CC(CC(C3)C1)C2	1322140583	JBMLIZYDBCUBDH-UHFFFAOYSA-N	322.452	3.842	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCC[C@@H]([C@@H]2CCOC2)C1	1336113719	HIYYYGNHFLPJDX-IAGOWNOFSA-N	321.848	3.704	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1ccc(F)c(-c2cccs2)c1	54896859	AXIICXSLDHXRJL-JYRVWZFOSA-N	314.385	3.986	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1ccc(OC(F)(F)F)cc1	134273591	MAWFSMWANWIEIP-SNVBAGLBSA-N	304.312	3.855	50	20	DHGD	
COc1ccccc1CC(C)(C)C(=O)NNc1cccc(F)c1	154820431	VFRGWEOLPXLBFC-UHFFFAOYSA-N	316.376	3.546	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2CCC(c3ccccc3)CC2)cc1	155240171	VSFWIPUSOHPXBO-UHFFFAOYSA-N	319.408	3.975	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cccc(Cl)c2[N+](=O)[O-])c1	159202501	IJHZDMPCTARYBZ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)cc1)c1ccccc1Cl	171525423	KIHYMVAACYTRHF-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccccc2C)cc(OC)c1	212134513	GUSYGWHEPHVQDD-NVNXTCNLSA-N	307.349	3.802	50	20	DHGD	
COc1ccc([C@@H]2CCN(C[C@H](C)CBr)C2)cc1	248675156	CNIVEPUTAWUVRW-TZMCWYRMSA-N	312.251	3.516	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)Cc2cc(Cl)ccc21	255167766	PGEUCZOGBSFKGZ-LFYBBSHMSA-N	307.180	3.598	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)/C=C/c2cncs2)cc1	282487663	XIDIRXUNNRNKAA-CMDGGOBGSA-N	301.415	3.597	50	20	DHGD	
CCOc1ccc(NNC(=O)c2c(C)cc(C)nc2Cl)cc1	294462835	VALQRPFHZKBCHE-UHFFFAOYSA-N	319.792	3.507	50	20	DHGD	
CC(C)N(C)CC1CCN(C(=O)c2cccc(CCl)c2)CC1	314772012	WUFHKDLBWSPSRS-UHFFFAOYSA-N	322.880	3.618	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1cccc(F)c1	588597417	JUGMTIHVBFPDBG-WJDWOHSUSA-N	305.308	3.628	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)C(=O)c1cc(F)cc(F)c1	588597766	YIBCJYPGZBCOLZ-XGICHPGQSA-N	314.247	3.663	50	20	DHGD	
CN(NC(=O)C1(c2cccc(Cl)c2)CC1)c1ccccc1	726981261	PDDQNUAWIDWROL-UHFFFAOYSA-N	300.789	3.539	50	20	DHGD	
O=C(NN=C(c1ccccc1)c1ccccc1)c1cc(Cl)c[nH]1	727932101	SSUJUGPWNFEQSR-UHFFFAOYSA-N	323.783	3.851	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNC(=O)c1cccc(Cl)c1	733911825	RVPHBJHEHPMBFO-CYBMUJFWSA-N	322.836	3.708	50	20	DHGD	
N#C/C(=C\c1occc1Br)c1nc2ccccc2[nH]1	735305624	WJVPLSVSKFGFPW-VQHVLOKHSA-N	314.142	3.983	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1cnnc2ccccc12)c1ccccc1	743411102	XILHHNTZYWDJIU-GOSISDBHSA-N	320.396	3.513	50	20	DHGD	
Cc1cc(C)c(NNC(=O)COc2ccc(Cl)cc2)c(C)c1	743762323	QHXDSJBRBYZCBS-UHFFFAOYSA-N	318.804	3.787	50	20	DHGD	
CC(C)NC(=O)NN=Cc1c(-c2ccccc2)[nH]c2ccccc12	745009402	ORTUTQVUZOBFKU-UHFFFAOYSA-N	320.396	3.876	50	20	DHGD	
CC[C@@H](C)C[C@@H](C)NC(=O)NNc1cc(F)c(F)c(F)c1	746773358	VDHDCAPUUXUQNW-RKDXNWHRSA-N	303.328	3.555	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2cccc3cccnc23)cc1	747362033	JUXTXWSWTVYBGL-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
Cc1c(C(=O)NNc2ccccc2F)oc2ccc(F)cc12	748056705	NQRVVKPNDRGJPI-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
C/C(=C/C(=O)NNc1ccccc1Br)C(C)(C)C	748059972	IBCSULQTHFPSBF-KTKRTIGZSA-N	311.223	3.885	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1nc2ccccc2[nH]1	768497069	UQWDYTFLCUVAEO-HNNXBMFYSA-N	322.412	3.521	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccn(-c2ccccc2)n1	773153580	IMZYAGDEEIMWHM-KAMYIIQDSA-N	303.321	3.564	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ncc(Cl)cc1Cl)C(C)C	775269837	UXCCGEGWGQZUTI-VIFPVBQESA-N	304.221	3.904	50	20	DHGD	
Cc1ccc(CC(=O)NNc2nc3ccccc3cc2C)cc1C	777479575	ZMCFJXUGXMWKQZ-UHFFFAOYSA-N	319.408	3.846	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C1CCCC[C@@H]1CC	779760321	VCGVCRPKAHVVIQ-AWEZNQCLSA-N	318.417	3.537	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3c(ccc4ccccc43)[nH]2)CC1	780688066	WXYYQXXPMZWLGU-UHFFFAOYSA-N	301.349	3.617	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1csc(Cl)c1	787153303	LXQGGMQQCNNITG-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
CC(=NNC(=O)C(F)F)c1cc(F)ccc1SC(C)(C)C	790298461	KVFPZTGOLPATSN-UHFFFAOYSA-N	318.364	3.822	50	20	DHGD	
C[C@@H](CBr)CN1CCc2cc(Cl)ccc2C1	792305700	CMKFIZQOKJYDAP-JTQLQIEISA-N	302.643	3.729	50	20	DHGD	
O=C(NNc1ccccc1)c1c(F)cc(C(F)(F)F)cc1F	810019407	HNWROPCWMJSMKB-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
COc1cccc(NNC(=O)Nc2cccc(C3CCC3)c2)n1	812993366	NJRYOGVZGQFTLS-UHFFFAOYSA-N	312.373	3.506	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1sc(-c2ccc(F)cc2)nc1C	814744597	LVOBLZPYUOZKJA-UHFFFAOYSA-N	319.405	3.754	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCCCC23CCCC3)c(O)c1	814810843	JAYSPRGHYHAUQF-UHFFFAOYSA-N	300.402	3.921	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(C=NNC(=O)CC2CC2)o1	814987569	SXZXAHJJTWCPTM-UHFFFAOYSA-N	300.333	3.644	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1Cl)c1ccncc1	814996921	YHLDCVOHYXOKKM-UHFFFAOYSA-N	323.183	3.934	50	20	DHGD	
C[C@]1(CC(=O)NNc2ccc3ccccc3n2)CC1(Cl)Cl	827883707	NHFIYGLFCODOCB-AWEZNQCLSA-N	324.211	3.652	50	20	DHGD	
CC[C@](C)(CNC(=O)CCCC[C@@H]1CCSS1)OC	833800060	QNLOUGOYPAAKAH-TZMCWYRMSA-N	305.509	3.632	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@@](C)(O)c2ccccc2)cc1	837053547	UJPOKBSXDORMBY-LJQANCHMSA-N	312.413	3.551	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H](C)OCc2ccccc2)cc1	837055813	MGUSWLBKLIXORF-OAHLLOKOSA-N	312.413	3.858	50	20	DHGD	
C[C@H](C(=O)OC[C@@H](CBr)C1CC1)c1cccs1	859562827	MTSQBEFKJYWDOB-GXSJLCMTSA-N	317.248	3.816	50	20	DHGD	
CCS[C@H](C(=O)NNc1ccc(F)c(Cl)c1)C(C)C	863079886	DQMIQYCQWDEORM-LBPRGKRZSA-N	304.818	3.700	50	20	DHGD	
Cc1ccc([C@H](C)N(C)S(=O)(=O)CC(C)(C)CCl)cc1	866515919	NZQAXUJSGAQASS-ZDUSSCGKSA-N	317.882	3.583	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@@H]1C(=O)NNc1cc(F)ccc1F	885142754	ILRRGXKYQZMURY-QWRGUYRKSA-N	308.353	3.582	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)c2ccncc2)C1	891542983	ILHHQXODNHTIMD-HNNXBMFYSA-N	320.509	3.708	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(F)ccc2F)cc1	915983905	YKHOZFOVTJKTQQ-DHDCSXOGSA-N	319.332	3.612	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)c1nnc(-c2ccccc2)o1	920385304	POHOOAQEXNQRPU-GFCCVEGCSA-N	314.389	3.669	50	20	DHGD	
O=C(Nc1ccn(-c2ccccc2)n1)C1CCC(Cl)CC1	1263856495	TVAKKEUNNRPAMP-UHFFFAOYSA-N	303.793	3.608	50	20	DHGD	
CC/C(=C\C(=O)NNc1ccccc1C(=O)O)c1ccc(C)cc1	1594690611	DWWKGNRCHTUZLL-WYMLVPIESA-N	324.380	3.630	50	20	DHGD	
CCc1oc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)cc1C(=O)O	1597791934	ZVAWJCNIKBOUPW-ZSOIEALJSA-N	323.348	3.947	50	20	DHGD	
O=C(NN=CCCC1CCCCC1)Nc1ccc(C(=O)O)cc1	1776045195	BSFCPTKOEHAOCM-UHFFFAOYSA-N	317.389	3.853	50	20	DHGD	
CCC(=O)/C(C#N)=C\c1ccc(-c2cccc(CC(=O)O)c2)cc1	1776676043	YFUHTUTXZPDGJD-ZDLGFXPLSA-N	319.360	3.867	50	20	DHGD	
CCC[C@H](C(=O)NNC(=O)c1ccc(CC)cc1)c1ccccc1	6982818	CSCZORVKMOECIV-SFHVURJKSA-N	324.424	3.594	50	20	DHGD	
N#C[C@@H](C(=O)CCCC[C@H]1CCSS1)c1ccccn1	41482195	JVOZYJNCZSYLSC-QWHCGFSZSA-N	306.456	3.972	50	20	DHGD	
C=CCc1cc(/C=C(/C#N)C(=O)c2ccoc2C)cc(OC)c1O	57770336	XBGCBYFODKAWJB-DHDCSXOGSA-N	323.348	3.821	50	20	DHGD	
Cc1[nH]c2c(C(=O)NNc3c(F)cccc3F)cccc2c1C	118511810	MQJHWAWCUHUHGJ-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
O=C(CCc1ccco1)NNc1cc(C(F)(F)F)ccc1F	178887145	JBFPVFVINXDFFM-UHFFFAOYSA-N	316.254	3.513	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1ccc(C(C)(C)C)cc1	179175974	HUYYYJOMGSZAQH-XNTDXEJSSA-N	307.397	3.816	50	20	DHGD	
O=C(NNc1ccccn1)c1cc2c(s1)CCCCCC2	181256946	KVJXZDMJPURGTL-UHFFFAOYSA-N	301.415	3.559	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(O)cc2)c(Cl)c1	188041484	ZXBOBYWUKNUHTE-LCYFTJDESA-N	312.756	3.900	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)c2cnc3ccccc3n2)cn1	191350071	AAODQNPPJMDKGM-XNTDXEJSSA-N	315.380	3.545	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1cccc2ccccc12	254816871	VEUQJLVCLLLDPF-UHFFFAOYSA-N	304.349	3.699	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)o1	255304428	ZVOOROHKMROUOU-WQLSENKSSA-N	321.288	3.602	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@H]1CCO[C@@H](CC)C1	281699871	GVYVQAGMZBCRCW-ZBFHGGJFSA-N	304.434	3.596	50	20	DHGD	
CN(CCO[Si](C)(C)C(C)(C)C)C1C[C@@H]2CC[C@H](C1)N2C	367360491	JAHJXTCBSKESJZ-XYPWUTKMSA-N	312.574	3.565	50	20	DHGD	
C[C@H](Cc1ccsc1)NC(=O)/C(C#N)=C\c1ccc(F)cc1	490842767	MEQVASBHDDKDPD-CDCQXCROSA-N	314.385	3.542	50	20	DHGD	
Cc1cccc(C=NN(C)C(=O)OC(C)(C)C)c1OC(F)F	494539178	MAXCJEHPTBOZPQ-UHFFFAOYSA-N	314.332	3.797	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccc(SC(F)F)cc1	588419209	HEOPNFIDZDRGLR-KPKJPENVSA-N	310.369	3.680	50	20	DHGD	
CCCCCCOc1ccc(C=NNC(=O)c2ccc[nH]2)cc1	725855505	YBTHFKNHOVTMCV-UHFFFAOYSA-N	313.401	3.738	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CCc2ccc(F)cc21	730130586	GRQYAXXKNMUQJI-CQSZACIVSA-N	319.767	3.793	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(C)ccc2C)cc1	734304194	FXWOUNZUBYBXQT-ODLFYWEKSA-N	304.393	3.835	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1	734553614	QSFFQCFRFKCLDS-UHFFFAOYSA-N	324.302	3.648	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(O)c([N+](=O)[O-])c3)[nH]c12	735618572	CGWIGQHNPFGCHP-GHXNOFRVSA-N	320.308	3.549	50	20	DHGD	
CC(C)(C)n1cc(C=NNC(=O)O)c(-c2ccccc2Cl)n1	736305244	GBMMCAOZJUPBNK-UHFFFAOYSA-N	320.780	3.560	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)c1ccccc1	742466070	PZFHZGOOQLJZRV-SFHVURJKSA-N	304.434	3.834	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1ccc(C(F)(F)F)cc1	749748168	ZOKYHXFVZAFXRZ-UHFFFAOYSA-N	320.314	3.788	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N1CC[C@@H]1Cc1ccccc1	752499222	FQZUPLRXTCHKKU-LYPXWFNGSA-N	320.367	3.576	50	20	DHGD	
Cc1cccc(C)c1CNC(=O)/C(C#N)=C\c1ccc(F)cc1	752577243	FRRLPHASQGPWKF-YBEGLDIGSA-N	308.356	3.666	50	20	DHGD	
O=C(NN=C[C@@H]1C[C@H]1c1ccccc1)c1ccc(Cl)cc1F	755754989	IBPPGNIDQCYNFV-WFASDCNBSA-N	316.763	3.998	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNC(=S)Nc1cc(C)ccc1C	761361983	SOPQFAGKZBQLCK-ZDUSSCGKSA-N	321.490	3.693	50	20	DHGD	
Cc1cc(Cl)ccc1C=NNC(=O)c1ccc(O)c(Cl)c1	767378368	FXWVCGZQYVBOIX-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NCCCc1cccs1	768373637	DIVOWAQWLRVKKZ-NSHDSACASA-N	318.280	3.607	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CCCc2occc21	781073726	OLMQGWOPHGXOHQ-CMPLNLGQSA-N	314.223	3.583	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCC(C)(C)C2)cc1OC	783809253	AWFOUNAJUARQKQ-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/c1ccccc1)c1cccc(C#N)c1	785352710	ZECGEURHLPZCTC-YFEUJDIGSA-N	302.333	3.770	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC[C@H](Oc2ncccc2F)C1	785837469	HWHQOHOXHARIJJ-PMFHANACSA-N	323.371	3.629	50	20	DHGD	
CCCC(=CC(=O)NNc1cccc(F)c1[N+](=O)[O-])CCC	790579271	JWHOZSLDZGKOPL-UHFFFAOYSA-N	309.341	3.704	50	20	DHGD	
O=C(CC1(O)CCCCC1)NNc1cc(Cl)cc(Cl)c1	791735063	VAEGFQDUIWVPIG-UHFFFAOYSA-N	317.216	3.522	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)c(C#N)c1	799758123	XYPCHVMZTCTSMN-UHFFFAOYSA-N	313.788	3.839	50	20	DHGD	
CC(C)c1ccccc1NC(=S)NNC(=O)C1CC(C)(C)C1	803177543	HELQWMCUXVPMMT-UHFFFAOYSA-N	319.474	3.564	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2F)sc2cccc(F)c12	804216297	HBKMWFIJXVFRIM-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1ncnc2ccsc12	804459724	YKVAAIUEKCGHRT-UHFFFAOYSA-N	306.435	3.741	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3ccc(Cl)c(F)c3)cn2c1	806985949	GBTAUPHDQYELAF-UHFFFAOYSA-N	317.751	3.797	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NC1C[C@@H](C)O[C@H](C)C1	813124395	YUJPWAYTLDYTNN-ZIAGYGMSSA-N	319.449	3.701	50	20	DHGD	
COc1ccc2c(c1)C(=NNC(=O)OC(C)(C)C)CCCS2	814692438	FKGMLZQADZBKDJ-UHFFFAOYSA-N	322.430	3.810	50	20	DHGD	
C[C@H](Oc1ccc(C(=O)NN(C)C2CC2)cc1)c1ccccc1	819651030	DJGAWOSMFMFACW-AWEZNQCLSA-N	310.397	3.566	50	20	DHGD	
N#Cc1ccc(NNC(=O)C2(C(F)(F)F)CCCCC2)cc1	830776830	YDGLFPDYJNWVQI-UHFFFAOYSA-N	311.307	3.514	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@@]1(C)CC1(Cl)Cl	831243159	JZCPVRLPCFNRRX-AWEZNQCLSA-N	315.244	3.975	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N1CC2(CCCCC2)[C@H]1c1ccccc1	838061322	UVRMEDFLZHKFGQ-HGLWPWQMSA-N	324.424	3.964	50	20	DHGD	
Cc1nc(Cl)cc(NNC(=O)Nc2cccc(C(C)C)c2)n1	841598144	WDYSSNOVEMAJLN-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
C[C@@H]1OCC[C@H]1C(=O)NN=C1CC[C@H](c2cccc(Cl)c2)C1	842550157	WCMQRSFBXOTJEG-DETPVDSQSA-N	320.820	3.505	50	20	DHGD	
Cc1cc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)nc(C)n1	853897472	IFIYMAVKSMNCKB-AWEZNQCLSA-N	307.514	3.694	50	20	DHGD	
Cc1csc([C@@H](C)C(=O)NNc2ccc(C(C)C)cc2)n1	854884309	FNQJDWSCODBTAO-LBPRGKRZSA-N	303.431	3.822	50	20	DHGD	
C[C@H](Cc1ccc(F)cc1)NC[C@]1(C)C[C@H]1Br	856808581	APJGLKIADOCNOL-HONMWMINSA-N	300.215	3.520	50	20	DHGD	
Oc1nc(CCCCCl)nc2cc(Br)ccc12	905024441	MUYIIFQAMXHLMF-UHFFFAOYSA-N	315.598	3.659	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2[N+](=O)[O-])cc1Cl	915879518	IVJKKYLOMAFKLI-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC(=NNC(=O)c1ccccc1C)c1cccc(OC(F)F)c1	916361239	UESMMRYKPQHKNL-UHFFFAOYSA-N	318.323	3.750	50	20	DHGD	
CN(N=Cc1ccccc1OC(F)(F)F)C(=O)OC(C)(C)C	920377904	IHQXTJGIRXDXOT-UHFFFAOYSA-N	318.295	3.786	50	20	DHGD	
C=C(CBr)COC(=O)[C@H](C)c1ccc(F)cc1F	1116877202	NCNGSHQRIGHJHE-SECBINFHSA-N	319.145	3.563	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)c2ccc(SC)cc2)cc1	1317699551	VOAARLVSQRDRHG-UHFFFAOYSA-N	314.410	3.571	50	20	DHGD	
CC(C)CO[C@H]1CC(=NNC(=O)c2ccccc2Cl)C1(C)C	1318740439	OUUZGKLPAKJOSM-HNNXBMFYSA-N	322.836	3.897	50	20	DHGD	
Cc1csc(C2(NC(=O)C3CCC(Cl)CC3)CCC2)n1	1548647643	LLLJYQUZEFJMAX-UHFFFAOYSA-N	312.866	3.745	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)cs1)c1nc(C2CC2)cs1	1601046463	ZFVYMZHJXCEMKM-OQFOIZHKSA-N	302.380	3.844	50	20	DHGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C/c1cc(C(=O)O)co1	1776384048	HYFUBFQFRZDMIB-MDWZMJQESA-N	321.336	3.973	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc2c1OCCCO2	77181685	JGOIHXGUBCKFJL-UVTDQMKNSA-N	309.321	3.539	50	20	DHGD	
Cc1cc(Cl)ccc1NC(=O)NNc1ncccc1Cl	91984286	DOHXZZKYSBVVRD-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2c(F)cccc2F)c(C)o1	118572928	LKNXRQSRFIFNJC-VIFPVBQESA-N	309.316	3.562	50	20	DHGD	
CCOc1ccc(CCC(=O)NNc2ccc(F)cc2C)cc1	119123896	ZAFGFDACMIGOOJ-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(F)cc1F	120142447	NGGPQDLWBIAOFW-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)c1cccnc1Cl	133282606	JQQSGHKCSNECSL-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3cccc4cnccc34)[nH]c2c1	178505589	YWOVXWHUBFFTCX-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2cccc3c2OCO3)cc1	207694017	VJSMNHUQPCKEDB-GDNBJRDFSA-N	320.348	3.523	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)C(=O)c2ccccc2F)cc1	212672770	UJXOVDKAIOQEAT-UVTDQMKNSA-N	308.312	3.574	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2c(C)nc3sc(C)cn23)n1	255002865	NXISAWQPHAUXAB-WCIBSUBMSA-N	300.412	3.842	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1cccc(Cl)c1	255474205	GAYXTRDCHPSCAT-ZSOIEALJSA-N	314.747	3.702	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\C=C\c1ccc(F)c(F)c1	285167065	POXGRVSOHLYHNH-XFYQWYMDSA-N	311.353	3.600	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1c(C)n[nH]c1C	490550192	ODJNERITWBJAFI-YBEGLDIGSA-N	322.412	3.697	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C\SCc2ccco2)cc1	493704855	INAXTKIPQUVKFX-LUAWRHEFSA-N	318.398	3.569	50	20	DHGD	
CN(N=Cc1ccc(F)c(C#N)c1Cl)C(=O)OC(C)(C)C	496905859	ZCYKFIOXVURYSZ-UHFFFAOYSA-N	311.744	3.552	50	20	DHGD	
CC(C)OC(=O)C[C@@H]1CCCN(/C(=C\C#N)c2ccccc2)C1	588473408	AMEXWTVTAQZERF-PMFHANACSA-N	312.413	3.605	50	20	DHGD	
C#CCCOC(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	727042952	WQELELHXLBGWSL-LDADJPATSA-N	312.413	3.625	50	20	DHGD	
Cc1cc(C=NNC(=O)NCc2ccc(Cl)cc2)ccc1F	732927266	JQPDTDZLUYNXHJ-UHFFFAOYSA-N	319.767	3.621	50	20	DHGD	
CC[C@@H](CNC(=O)NNc1c(F)cccc1F)c1ccccc1	735754602	VYCCVNRQURAQNQ-LBPRGKRZSA-N	319.355	3.785	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cccc(-c2ccncc2)c1	741461648	NIKKXCMLPHENRS-UHFFFAOYSA-N	321.302	3.541	50	20	DHGD	
COCc1cccc(/C=C(/C#N)c2nc(-c3ccccc3)no2)c1	742350152	RIZRVHYPQVMMGP-BOPFTXTBSA-N	317.348	3.947	50	20	DHGD	
O=C(C=C(C1CC1)C1CC1)NNc1ccc(C(F)(F)F)cc1	747588432	HUKATCIKIVTXOS-UHFFFAOYSA-N	310.319	3.895	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2cc(Cl)nc(C)n2)cc1	748333189	BXVHAVWWQZFQIE-UHFFFAOYSA-N	318.808	3.538	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N2CCC[C@@H]2C)c(C)n1CC(C)C	751991511	SSNXHAPWYPODNE-XKYMITNMSA-N	313.445	3.679	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C)nc2C)cc1	755770404	DSOQBMYYPKHYNK-LFIBNONCSA-N	321.380	3.643	50	20	DHGD	
CNC(=O)NN=Cc1ccccc1Oc1ccc(F)cc1Cl	763406005	IYUMCSPXNBBQDY-UHFFFAOYSA-N	321.739	3.534	50	20	DHGD	
Cc1csc(CCC(=O)NNc2ccc(C(C)(C)C)cc2)n1	768185495	RBJOZRWKSMLCFE-UHFFFAOYSA-N	317.458	3.825	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2c(F)cccc2Cl)c1C	770196870	HEOCDCUNBSHYCD-UHFFFAOYSA-N	324.787	3.541	50	20	DHGD	
N#C/C=C(\c1ccccc1)N1CCC(Cc2cccnc2)CC1	771462636	KKBZCPLXYNVPTR-DNTJNYDQSA-N	303.409	3.901	50	20	DHGD	
N#C/C(=C/c1cscc1Cl)c1nnc2n1CCCCC2	771843424	ZMASYJNJRJNSKV-POHAHGRESA-N	304.806	3.784	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1oc(C(C)C)nc1C#N	775684211	ZHLRTXVVAAGPIP-GFCCVEGCSA-N	306.410	3.719	50	20	DHGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	775884556	LIPNBLWBEDXGRF-OCCSQVGLSA-N	300.324	3.831	50	20	DHGD	
C[C@]1(c2ccccc2)CCC(=NNC(=O)c2ccc(C#N)cc2)C1	780213970	KTFXYNFJABDOET-FQEVSTJZSA-N	317.392	3.786	50	20	DHGD	
CSSCCNC(=O)/C(C)=C/c1cccc(Cl)c1	791099810	LEHXLHJLEAHCCR-CSKARUKUSA-N	301.864	3.871	50	20	DHGD	
CCCN(N=Cc1ccc(N(C)CC)nc1)C(=O)OC(C)(C)C	794997520	VIGUJNNLWKBNSL-UHFFFAOYSA-N	320.437	3.519	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc2ccc(C)nc12	795524634	ZPTBNOVPKCTKTQ-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
COc1cc(NNC(=O)[C@@H]2CC3CCC2CC3)ccc1Cl	816524772	QROXALBUYHNCMX-GCZXYKMCSA-N	308.809	3.618	50	20	DHGD	
C[C@@H](Cc1cccc(Cl)c1)C(=O)NNc1cccc(Cl)n1	817009558	QAKBYWMFCYMATP-JTQLQIEISA-N	324.211	3.710	50	20	DHGD	
CC[C@H](C)n1ncc(NC(=O)NNc2cc(F)ccc2C)c1C	822927042	ZNXSWGROVXXVSS-NSHDSACASA-N	319.384	3.759	50	20	DHGD	
Cc1cn2ccc(C(=O)NNc3c(C)cccc3C(C)C)cc2n1	823072855	KGALQBOTPXORRI-UHFFFAOYSA-N	322.412	3.831	50	20	DHGD	
N#C/C(=C/c1ccc(C2CC2)cc1)c1nnc2n1CCCCC2	840716216	UTJGWOBRKMZLKM-ATVHPVEESA-N	304.397	3.946	50	20	DHGD	
C[C@H](CN)NC(=O)Nc1ccc(S(F)(F)(F)(F)F)cc1	841179321	NMGYXDJEPNBISS-SSDOTTSWSA-N	319.299	3.813	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC(=C3CCC3)CC2)cs1	853271904	GGRCONWEAPFRQO-UHFFFAOYSA-N	303.431	3.521	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)OCC(F)(F)F	853429212	FXDAZOWVLJASJS-UHFFFAOYSA-N	308.687	3.525	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1CCC[C@H]1Cc1ccccc1	854451201	UTOITMNNTOTCCF-QWHCGFSZSA-N	300.229	3.565	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCOc3ccccc32)C[C@@H]1Br	857081042	BIUMJTFOSVBWQT-VHDGCEQUSA-N	310.235	3.663	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NC[C@]2(C)C[C@H]2Br)c1	857393897	JHASIHLNDOFOAN-ZBFHGGJFSA-N	324.262	3.526	50	20	DHGD	
C[C@@H](NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)C(F)(F)F	862320168	GEYJOPLRRFOFIC-MRVWCRGKSA-N	314.351	3.532	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1cc(F)c(C(=O)O)cc1F	865220782	PZSBXMFNDMSJMV-QQCYMQAYSA-N	307.296	3.575	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C/c1cncn1CC	901418882	RAFFKBJOAUDMLY-MHWRWJLKSA-N	322.412	3.573	50	20	DHGD	
C[C@@H]1C[C@H]1CNC(=O)NN(Cc1ccccc1)c1ccccc1	916639872	RSKHBQDXBGFDDO-WBVHZDCISA-N	309.413	3.563	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1ccccc1C(F)(F)F	920947626	OKQZEPGRXUGORL-UHFFFAOYSA-N	322.286	3.565	50	20	DHGD	
Cc1csc([C@H](C)C(=O)NNc2ccc(Cl)cc2C)n1	928337029	HSIRARAIWQLZIV-SNVBAGLBSA-N	309.822	3.660	50	20	DHGD	
CCc1ccc2nc([C@@H]3CC[C@H](Br)C3)nc(O)c2c1	1116796987	LMONHOXTMIORKP-MNOVXSKESA-N	321.218	3.929	50	20	DHGD	
CCS[C@@H]1CC[C@H](N(C)C(=O)C2CCC(Cl)CC2)C1	1263754688	VCYCNDSDLAXBSS-CLRIEMFWSA-N	303.899	3.917	50	20	DHGD	
Cc1ccc(NNC(=O)CC2(C#N)CCCCC2)cc1Cl	1329462356	VCWNAQYZKHHAOF-UHFFFAOYSA-N	305.809	3.956	50	20	DHGD	
Cc1cc(C)c(/C=C(\C#N)C(=O)NCc2ccccc2)cc1C	7156930	HLARZTDFMYVWLW-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)CSc2ccc(F)cc21	57738926	DUKIFIWHOKKNMT-WZUFQYTHSA-N	322.792	3.633	50	20	DHGD	
COc1cc(C(=O)NNc2cccc(C)c2)ccc1OC(C)C	72514360	ZIUQAULIEPIZNX-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
Cc1cccc(NNC(=O)c2csc(-c3ccc(C)o3)n2)c1	75816294	GMZIEEKYPSZKTH-UHFFFAOYSA-N	313.382	3.777	50	20	DHGD	
O=C(NNc1ccccc1)c1nc(-c2ccccc2)oc1C1CC1	111550344	OIHXYQYWRZIVFQ-UHFFFAOYSA-N	319.364	3.976	50	20	DHGD	
Cc1ccc(F)c(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1	116608840	IVBHCJGZSZFGSY-RQNDZEIBSA-N	308.356	3.919	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cccc3c2CCCC3)cn1	120502401	RGMRWELGNHLPBO-UHFFFAOYSA-N	309.413	3.841	50	20	DHGD	
O=C(NNc1c(Cl)cccc1Cl)[C@H]1CC1(Cl)Cl	133190280	VSFYXWWAIFJAJW-RXMQYKEDSA-N	313.999	3.630	50	20	DHGD	
O=C(CC1CCSCC1)NNc1c(Cl)cccc1Cl	133391484	ZSUNPGWPHJZKTF-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
CC(C(=O)NNc1ccc(OC(F)(F)F)cc1)=C1CCCC1	159645910	JTRFEFGJSSEPRS-UHFFFAOYSA-N	314.307	3.919	50	20	DHGD	
CCCCn1ncc(C(=O)NNc2c(C)cc(C)cc2C)c1C	159798424	FXFLRAUFMUQQHT-UHFFFAOYSA-N	314.433	3.674	50	20	DHGD	
C[C@@H](O)CNC(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	184420963	TTWRAOAMYKDIHN-SSDOTTSWSA-N	320.283	3.846	50	20	DHGD	
Cc1cnccc1CNC(=O)CCCC[C@@H]1CCSS1	188856717	BFLRBVBPKGVUOL-CQSZACIVSA-N	310.488	3.720	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc(Cl)cc(Cl)c1O	252462765	WBUJSMRPJBTIGG-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
C=C(CBr)CNC1(c2nc(C)cs2)CCCC1	279679415	GOYBUJRAWCXUAH-UHFFFAOYSA-N	315.280	3.762	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccc(Br)c(F)c1	293400749	FJSZZZUBILLBFB-UHFFFAOYSA-N	315.186	3.634	50	20	DHGD	
N#C[C@@]1(C(=O)NNc2c(Cl)cccc2Cl)CC12CCCC2	294840839	FIELKJALXJLDHZ-OAHLLOKOSA-N	324.211	3.911	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)c1ccccc1	295415768	STOXEMWUUSSVMB-CYBMUJFWSA-N	323.318	3.737	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1ccc(Cl)nc1)c1ccccc1	490726978	WOIYMGAEAQNYNV-DGGAMASNSA-N	311.772	3.519	50	20	DHGD	
COC(=O)N(C)N=C(C)CCc1cccc(C(F)(F)F)c1	495610814	FKHFGHUSBBXEAA-UHFFFAOYSA-N	302.296	3.712	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)c1ccc[nH]1	725854807	YCVKOHCSZFEDAN-UHFFFAOYSA-N	313.744	3.692	50	20	DHGD	
CCC(=NNC(=O)CCc1ccccc1O)c1ccc(C)cc1	729935298	REUBYIYOVODUPL-UHFFFAOYSA-N	310.397	3.564	50	20	DHGD	
Cc1nc2c(s1)C(=NNC(=O)Nc1ccccc1C)CCC2	730947890	NNNJKOWBKYGQPA-UHFFFAOYSA-N	314.414	3.622	50	20	DHGD	
Cc1cc(-c2cccc(Cl)c2)ccc1NC(=O)NNC(=O)O	738304834	HEVBNVONGBSMSI-UHFFFAOYSA-N	319.748	3.620	50	20	DHGD	
CCCC(CCC)C(=O)NNc1ccc(-c2ccccc2)nn1	753815818	UTFXWUUAORBCBH-UHFFFAOYSA-N	312.417	3.803	50	20	DHGD	
CC[C@H](C)c1ccc(C(=O)NNc2cnnc3ccccc23)cc1	755804338	OTDVGLMLGUOXTG-ZDUSSCGKSA-N	320.396	3.900	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1cc2ccccc2s1	758375327	QSKCMMVSHMUOJF-UHFFFAOYSA-N	308.406	3.984	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)CCc2ccccc2F)c1	760137021	NUCYJHUGAOCWKW-CYBMUJFWSA-N	318.367	3.985	50	20	DHGD	
CC(C)CCC[C@@H](C)NC(=O)NNc1ncnc2ccsc12	765651469	SJQDQXDATQQMDO-LLVKDONJSA-N	321.450	3.532	50	20	DHGD	
CCC[C@H](C=NNC(=O)Cc1nc(C)cs1)c1ccccc1	769570431	QUGPLIZOAVNCJE-OAHLLOKOSA-N	315.442	3.680	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1ccc(OCC(C)C)cc1	771688794	QIIFMPNUFWYKOG-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)CCc1ccc(Cl)cc1	771689518	YOYRQBNCYJDLSG-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1cccc(C)c1OC(F)F	777870644	VPTVLWQLGUKLRN-LCYFTJDESA-N	309.312	3.847	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	782368281	BQMTVBUYRFBORU-KPKJPENVSA-N	319.286	3.835	50	20	DHGD	
Oc1nc(CSCCCCl)nc2sc3c(c12)CCC3	782891395	WZPJSVVYPAHSSE-UHFFFAOYSA-N	314.863	3.748	50	20	DHGD	
O=C(NN=Cc1cc2ccccc2[nH]1)c1cc2ccccc2o1	788433291	MAGCQMPVOYGBSB-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
N#CC[C@H](CC(=O)NNc1ccccc1Cl)c1ccccc1	793706440	LKIDYUNXXHFENV-CQSZACIVSA-N	313.788	3.871	50	20	DHGD	
C=CC[C@H](CC)NC(=O)NNc1ccccc1OC(F)(F)F	798497449	ODYZFHYYQXEPNL-JTQLQIEISA-N	317.311	3.566	50	20	DHGD	
O=C(NNc1cccnc1Cl)c1cccc(C2CCC2)c1	799101928	ULJNETMWPHYVFN-UHFFFAOYSA-N	301.777	3.759	50	20	DHGD	
O=C(NNc1cccc(F)n1)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	804767363	JKBNFOTWWBXVMO-HZPDHXFCSA-N	321.355	3.621	50	20	DHGD	
Cc1cnc(COC(=O)CCCC[C@H]2CCSS2)nc1	808494645	PYZYECNAFMJXNE-LBPRGKRZSA-N	312.460	3.542	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1CCC([C@H]2CCCO2)CC1	808750047	IQVKYUOCPUSTKG-MRXNPFEDSA-N	313.558	3.899	50	20	DHGD	
CC(C)CC(=O)NN=Cc1c(Cl)cc(Cl)cc1N(C)C	811634532	RYRQUEGZLVKUJV-UHFFFAOYSA-N	316.232	3.556	50	20	DHGD	
CCOc1ccc(NNC(=O)/C=C/Sc2ccccc2)cc1	817896518	ZVYSNWWNPGCKLM-OUKQBFOZSA-N	314.410	3.834	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2cccc(-c3nn[nH]n3)c2)n1	820197157	GWMLIXVPZMZMCG-QPEQYQDCSA-N	322.397	3.511	50	20	DHGD	
C[C@H](NC(=O)NNc1ccc(C(C)(C)C)cc1)C(F)(F)F	824392196	YCBQTDSYCDHALZ-VIFPVBQESA-N	303.328	3.561	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@H]1CCC[C@@H]1c1ccccc1	827973112	GEQWYQNEGYHMDO-CABCVRRESA-N	315.804	3.762	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccccc3cc2O)c1	832272755	JYOBHPUOXDNEKV-UHFFFAOYSA-N	306.365	3.919	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CCCCCC(=O)C2)c(Cl)c1	836934734	FZVWACRUNYXJOD-LBPRGKRZSA-N	308.809	3.631	50	20	DHGD	
C[C@@H]1O[C@H](C)C[C@@H]1CNC(=O)CCCC[C@@H]1CCSS1	839852736	YJEGTRCUQGOIAF-XJFOESAGSA-N	317.520	3.630	50	20	DHGD	
CO[C@H](C)CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345525	SVDDFTGOMUBLLD-CQSZACIVSA-N	301.547	3.755	50	20	DHGD	
C[C@H](O)CCCN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	844348932	GTCYWTZFTVSHLH-GJZGRUSLSA-N	301.547	3.634	50	20	DHGD	
CCC[C@H](C)CC(=O)NNc1cc(C#N)ccc1Br	855617050	RDWYRELDORIFSH-JTQLQIEISA-N	324.222	3.590	50	20	DHGD	
Cc1cc(C)c(C(=O)NC[C@@]2(C)C[C@H]2Br)c(C)c1	857689003	IQBHNKLLONZSGL-IUODEOHRSA-N	310.235	3.515	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NC(C)C)c(C)n1CCC(C)C	864720595	AHMIGEJTIIPAFB-YVLHZVERSA-N	301.434	3.583	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C2CCCC2)c(Cl)cc1O	865221992	MMJAPLOVDAUIRG-WUXMJOGZSA-N	305.761	3.720	50	20	DHGD	
CC(C)N(Cc1cccs1)S(=O)(=O)CC(C)(C)CCl	866591946	MFDHGKDWAKNMAO-UHFFFAOYSA-N	323.911	3.553	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCC(C)C)c1C	912568112	QZJRGKHXDFYIQV-GZTJUZNOSA-N	301.434	3.584	50	20	DHGD	
CC[C@@H](C)N(C)C(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	914527586	IVSNLPZJTZLSED-YFEUJDIGSA-N	315.461	3.925	50	20	DHGD	
COc1cc(O)ccc1/C=C(/C#N)C(=O)c1cccc(C)c1C	1318405308	NFOGTNYFWKYLGM-DHDCSXOGSA-N	307.349	3.808	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc3c(c2)CCC3)c1	1319112050	FLUKLGUIIRHDJK-WOJGMQOQSA-N	303.361	3.974	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2ccccc2Cl)cs1	1323882764	OIMCFOVRZRVPQT-UHFFFAOYSA-N	307.806	3.684	50	20	DHGD	
CC(C)c1cccc(C(=O)NNc2ccc(C(C)(C)C)nn2)c1	1334721777	QVSVMMVBKLNJLE-UHFFFAOYSA-N	312.417	3.654	50	20	DHGD	
CCOc1ccc(OC)cc1NC(=O)C1CCC(Cl)CC1	1346409856	HDKVMSPVJIIGIE-UHFFFAOYSA-N	311.809	3.830	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(CC(=O)O)cc3)[nH]c12	1777448232	FJGDBYLXDSACED-OQLLNIDSSA-N	317.348	3.563	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)cc1	6411014	VHDKZCIGQCMRBV-SDNWHVSQSA-N	310.328	3.770	50	20	DHGD	
N#C/C(=C\c1cc2ccccc2o1)C(=O)NCCc1ccccc1	11288159	FDAVFKWWGMIGFL-GHRIWEEISA-N	316.360	3.699	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3n2C)cc1OC	33932713	HGXZDNCPBPUSQC-UVTDQMKNSA-N	319.364	3.655	50	20	DHGD	
CCCC[C@H](CC)CNC(=O)c1c(C)nn(CCCl)c1C	74393644	IJQYQJVIKFAFJB-AWEZNQCLSA-N	313.873	3.685	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2cccnc2Cl)c1	85685681	QYACTMPOYPUIPB-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1cc(F)c(F)cc1F	115718001	DTUSBUDFYRVNLI-NSHDSACASA-N	320.314	3.667	50	20	DHGD	
O=C(CCc1ccc(F)cc1)NNc1ccc(OC(F)F)cc1	122978781	DMYZZBAOOWDJEJ-UHFFFAOYSA-N	324.302	3.503	50	20	DHGD	
O=C(CCc1cc(Cl)cs1)NNc1ncccc1Cl	172361065	YOCGTOMLVFACRP-UHFFFAOYSA-N	316.213	3.526	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)c1ccsc1	176954820	WHUBKHBMGHVHEY-DHDCSXOGSA-N	309.394	3.533	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CC1	181978569	QOHZPEQZRJGNQM-FOWTUZBSSA-N	320.367	3.581	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCC[C@H]2CCCCO2)cc1	182214882	TYYLMBYTRQIBGZ-MRXNPFEDSA-N	319.449	3.569	50	20	DHGD	
O=C(CC[C@H]1CCCO1)Oc1ccc([N+](=O)[O-])c2ccccc12	268187753	DLFZTWNGXGBKAH-GFCCVEGCSA-N	315.325	3.613	50	20	DHGD	
Cc1occc1C(=O)NN(Cc1ccccc1)c1ccccc1	302597007	UEPJTBFEYCZKDA-UHFFFAOYSA-N	306.365	3.940	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccc(OC(F)F)cc1	309971347	NSNVLRBPDMSLGB-UHFFFAOYSA-N	300.305	3.537	50	20	DHGD	
N#C/C(=C/c1coc(-c2ccccc2)n1)C(=O)NC1CCCCC1	490637908	KRTYQQXDQRDGFA-PTNGSMBKSA-N	321.380	3.697	50	20	DHGD	
O=C(/C=C\c1ccc2[nH]ccc2c1)NNc1c(F)cccc1F	492262378	PVYKKMWYPRNLJE-ALCCZGGFSA-N	313.307	3.603	50	20	DHGD	
COC(=O)N(C)N=C1CCCc2[nH]c3ccc(Cl)cc3c21	496101379	HQQLNKOJIAVNOE-UHFFFAOYSA-N	305.765	3.560	50	20	DHGD	
C/C=C/COc1ccc(CCC(C)=NNC(=O)C2CCC2)cc1	731934332	WDWPCQRWCIJUTL-ZSLZOYEPSA-N	314.429	3.866	50	20	DHGD	
COC(=O)c1cc(OC(=O)CCCC(C)(C)C)ccc1[N+](=O)[O-]	732653250	LODNYCNQOXUELN-UHFFFAOYSA-N	323.345	3.503	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)O[C@H](C)c2cccnc2)cc1	733417003	OCIRCLXUSMNZBC-RQNDZEIBSA-N	322.364	3.692	50	20	DHGD	
O=C(NCC1(c2ccc(F)cc2)CCC1)NNc1ccccc1	734271346	HPIAEYZJMMCQCK-UHFFFAOYSA-N	313.376	3.574	50	20	DHGD	
C[C@@H](CCc1ccccc1)NC(=O)NNc1c(F)cccc1F	735754130	BGQOGOSLACTWJN-LBPRGKRZSA-N	319.355	3.612	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cc1Cl	741473512	RKQPAJDSBBZCHR-GHXNOFRVSA-N	324.771	3.993	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H](C)Oc2cccc(F)c2)c(C)c1	743761688	MWRPINVINAZJSO-AWEZNQCLSA-N	316.376	3.662	50	20	DHGD	
Cc1cccc(OCCC(=O)NNc2ccc(Cl)c(F)c2)c1	748897365	DORYOFHFOBNKRT-UHFFFAOYSA-N	322.767	3.700	50	20	DHGD	
O=C(C[C@@H]1CCCCO1)NN(c1ccccc1)c1ccccc1	755076469	ZMSAHINRAXXROF-SFHVURJKSA-N	310.397	3.815	50	20	DHGD	
N#C/C(=C\c1cncc(Br)c1)C(=O)C1CCCC1	767351681	IIMYVNQPEJGBAI-LFYBBSHMSA-N	305.175	3.510	50	20	DHGD	
Cc1ccc(C[C@H](C)C(=O)NNc2c(C)cccc2F)cc1	771702431	ZPSTUPJSYIJLAZ-AWEZNQCLSA-N	300.377	3.764	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H](C)CCc1cccc(F)c1	771706051	BJFZRNZCOOFILQ-ZDUSSCGKSA-N	318.367	3.985	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ncc(Cl)s2)cc1	771905428	UMQJNWLALWSALU-SDQBBNPISA-N	318.785	3.755	50	20	DHGD	
C=CCN(C)C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	777841240	HBEHVSRLCVUUCF-PDGQHHTCSA-N	313.445	3.702	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)c(Cl)c2)cn1	780154132	XTIQPMISJZDJTG-WUXMJOGZSA-N	316.719	3.673	50	20	DHGD	
Cc1ccc(CN(C)C(=O)[C@@H](Br)C(C)(C)C)cc1	781070514	JSWHQHUDTMUMHL-CYBMUJFWSA-N	312.251	3.763	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccncc1)c1ccc(C(F)(F)F)cc1	788929804	ZTENXNFQHOGESM-LLVKDONJSA-N	321.302	3.620	50	20	DHGD	
CSSCCNC(=O)NCC(C)(C)c1cccc(C)c1	790695141	HDDSMCLAYDAHNY-UHFFFAOYSA-N	312.504	3.583	50	20	DHGD	
C=C(CBr)CN[C@@H](Cc1ccc(F)cc1)C(C)C	791493845	ZCIGFFCLYCVJLZ-HNNXBMFYSA-N	314.242	3.934	50	20	DHGD	
Cc1ccc2c(c1)SCC2=NNC(=O)c1c[nH]c2ccccc12	797785217	XEQOJXSXGLRTBE-UHFFFAOYSA-N	321.405	3.716	50	20	DHGD	
O=C(Cc1nc(-c2ccccc2)cs1)NN=CCCC1CC1	807960770	NNZYSQVSJIPLIH-UHFFFAOYSA-N	313.426	3.645	50	20	DHGD	
Cc1ccc(NCC(=O)NN=Cc2csc3ccccc23)cc1	812382972	RVEAKYRNDAJTBY-UHFFFAOYSA-N	323.421	3.772	50	20	DHGD	
O=C(NN=C[C@@H]1CCCOC1)Nc1ccc(-c2ccccc2)cc1	814856706	REZGJDHAKAGSCQ-HNNXBMFYSA-N	323.396	3.888	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CSCc2ccccn2)cc1	837055270	BSFYAEIEBJVQSB-UHFFFAOYSA-N	315.442	3.582	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2cc(F)ccc2C)cc1	855366693	FIXHXMYGKTWTOA-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Cc1csc(C(C)(C)C)n1	855367333	PSGPLRQIZDDIIL-UHFFFAOYSA-N	321.421	3.574	50	20	DHGD	
Cc1cccc(C)c1NC(=O)NC[C@]1(C)C[C@H]1Br	856812319	UHNBNWKSUGXPET-RISCZKNCSA-N	311.223	3.598	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	861526373	PTFDMRWMLWRXDP-RCCFBDPRSA-N	306.409	3.586	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1nc(C2CCCCC2)cs1	869699915	BMQWGUCOJOUAOU-FMIVXFBMSA-N	305.403	3.573	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)[C@H]1CCCC(F)(F)C1	885107071	RSLDLYMDJFTFNA-QMMMGPOBSA-N	306.715	3.748	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCCc2sccc21	885142764	ISSHSUKSZCDEAK-LLVKDONJSA-N	308.353	3.590	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Cl)c(Br)c1)C1CC1	887212089	VMWQGBVEZFMUGX-SSDOTTSWSA-N	317.614	3.592	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1nc(C)c(C)[nH]1	901418908	SGHSXJDVDFAISS-YBEGLDIGSA-N	322.412	3.697	50	20	DHGD	
CCc1nc2cc(NC(=O)[C@]3(C)C[C@H]3Br)ccc2o1	906328505	BSIUVQJJBVQARM-BXUZGUMPSA-N	323.190	3.502	50	20	DHGD	
O=C(CNc1ccccc1F)NN=Cc1cccc2ccccc12	915919608	COECXVYVQJFDHM-UHFFFAOYSA-N	321.355	3.541	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CCCc2ccccc21	916142065	GVTWXKVNGDUPPM-ZDLGFXPLSA-N	305.337	3.912	50	20	DHGD	
Cc1ccc(Cl)c(O[C@@H](C)C(=O)NN(C)c2ccccc2)c1	916737485	RIKNOMYCDSMCID-ZDUSSCGKSA-N	318.804	3.583	50	20	DHGD	
Cc1cccc(OS(=O)(=O)c2ccc(CCCl)cc2)c1C	917849166	LXVMLVQZMSLETJ-UHFFFAOYSA-N	324.829	3.852	50	20	DHGD	
Cc1ccc(NNC(=O)Cn2ccc3ccc(Cl)cc32)cc1	919744058	MINPTYDDKVLYQM-UHFFFAOYSA-N	313.788	3.746	50	20	DHGD	
C=CCCO[C@@H](C)C(=O)NN=C(c1ccccc1)c1ccccc1	921146214	NYXNQGNXLDYFCE-INIZCTEOSA-N	322.408	3.536	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1ccc(OCC#N)cc1	1116919798	GMCQKEBRYSHDSW-UHFFFAOYSA-N	324.384	3.608	50	20	DHGD	
Cn1c(/C=C(/C#N)c2ncc(C(C)(C)C)s2)ccc1C(=O)O	1608086676	CRMKVJWYWUJSLV-YFHOEESVSA-N	315.398	3.541	50	20	DHGD	
Cc1cc(SC#N)ccc1NC(=O)CC1(C(=O)O)CCCC1	13255082	YAASCWBZAYYWGK-UHFFFAOYSA-N	318.398	3.542	50	20	DHGD	
CCCn1c(C)cc(C(=O)/C(C#N)=C\c2cn(C)nc2CC)c1C	92197340	YTVLVAKWSCZTCO-GDNBJRDFSA-N	324.428	3.601	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccc(F)cc1	110620035	JGJOHXVUKDMJRX-HNNXBMFYSA-N	304.390	3.840	50	20	DHGD	
CC(C)Cc1ccc(C(=O)NNc2ncccc2Cl)cc1	114883212	KBTAZVQGQILKDZ-UHFFFAOYSA-N	303.793	3.690	50	20	DHGD	
COc1cc(NC(=O)NNc2ccccc2)c(OC)cc1Cl	119601008	UDHLTCZISUCFKI-UHFFFAOYSA-N	321.764	3.506	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NNc1cccc(F)c1	154617587	ZBGGRTULZYXSII-ZDUSSCGKSA-N	314.451	3.983	50	20	DHGD	
CCC(CC)(C(=O)NNc1ccc(C#N)cc1)c1ccccc1	155315197	JZOGJDLZLZJENF-UHFFFAOYSA-N	307.397	3.759	50	20	DHGD	
CSc1ccc(/C=C(\C#N)C(=O)NCc2ccc(C)cc2)cc1	172044668	NIPVNQHPTREBBZ-GZTJUZNOSA-N	322.433	3.940	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2C[C@@H]2c2cccc(F)c2F)c1	175227301	RQCVNCYGZNNUAC-ZIAGYGMSSA-N	302.324	3.520	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccccc2OC(F)(F)F)c1	190204651	PWBWFIBXWMKWRU-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)s1	255869656	ZGGUREZIPFKPGA-GHXNOFRVSA-N	320.352	3.721	50	20	DHGD	
CC[C@H](C)Oc1ccc(C(=O)NNc2ccc(Cl)nc2)cc1	267529559	PTQZQSASMRYBCL-NSHDSACASA-N	319.792	3.669	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)Nc1ccc2scnc2c1	491050552	PYHSUTFVBKMYOQ-GHXNOFRVSA-N	321.361	3.548	50	20	DHGD	
COC(=O)N(C)N=C(C)c1ccc(Br)cc1Cl	495744729	HXLBHTUQCSEXKF-UHFFFAOYSA-N	319.586	3.525	50	20	DHGD	
CCCN(N=C1CC[C@@H](C(=O)O)C[C@@H]1C)C(=O)OC(C)(C)C	495792321	FQTTZYPJIVCJRC-NWDGAFQWSA-N	312.410	3.510	50	20	DHGD	
C[C@H](c1ccsc1)N1CCN(/C(=C\C#N)c2ccccc2)CC1	588467930	XYQBWTIYGGIHGS-WUBXBPHZSA-N	323.465	3.991	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2)s1	588555737	UDSZTJRVNSVSMO-UVTDQMKNSA-N	303.408	3.714	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)c1ccc(O)cc1	727779073	NOSAJHLVSMFGNL-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CC1(C)CCc2cc(/C=C(\C#N)C(=O)NC3CCCC3)ccc2O1	731563780	UYLJZIDJEMGFBH-FOWTUZBSSA-N	324.424	3.756	50	20	DHGD	
CN(C)C(=O)NN=Cc1ccc(-c2ccc(C(C)(C)C)cc2)o1	743436347	JGLPAUBOQOGYPF-UHFFFAOYSA-N	313.401	3.849	50	20	DHGD	
CCc1cccc(OCC(=O)NNc2c(C)cc(C)cc2C)c1	743763594	QWBFETDJUYLONG-UHFFFAOYSA-N	312.413	3.696	50	20	DHGD	
COc1ccc(C)cc1CC(=O)NNc1c(C)cc(C)cc1C	743764904	UGIDZKCTGOGLPV-UHFFFAOYSA-N	312.413	3.615	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)C1(c2ccccc2F)CC1	746700056	PSIQJWCONXVROI-UHFFFAOYSA-N	322.742	3.793	50	20	DHGD	
C[C@@H](c1ccccc1)[C@@H](C)NC(=O)NNc1c(F)cccc1F	747591442	AVSRNIKNEXRCPH-VXGBXAGGSA-N	319.355	3.783	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(-c2ccccc2)ns1	748089806	SGYRJGBBVSLCKJ-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C=C1CCC1	753176405	SSOYHPBDJYQNIC-UHFFFAOYSA-N	309.207	3.565	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNc1ncc(F)cn1	760912620	ZVEFBLODMPBIRK-INIZCTEOSA-N	310.417	3.836	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc4c(c3)ncn4C)[nH]c12	761203844	AZXHVNCGUPUYJA-ZSOIEALJSA-N	313.364	3.822	50	20	DHGD	
CCc1ccc(C(=O)NN=C2C[C@H](OC(C)C)C2(C)C)cc1	764896480	PNBPUSQWMDAUJZ-INIZCTEOSA-N	302.418	3.558	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2c(Cl)nc(Cl)n2C)cc1	764917450	STCNWCNXEZKBGF-YRNVUSSQSA-N	320.179	3.825	50	20	DHGD	
COC(=O)c1ccccc1NNC(=O)C[C@H](C)C1CCCCC1	777773175	JALWWEUZENYESJ-ZDUSSCGKSA-N	318.417	3.523	50	20	DHGD	
CC(=NNC(=O)c1c(Cl)cccc1Cl)[C@@]1(C)CCCO1	782222356	WUFLLPFKDUKMJE-CQSZACIVSA-N	315.200	3.668	50	20	DHGD	
N#C/C(=C/c1ccccc1)C(=O)OCc1ccc2ccccc2n1	785352098	WYGKSTVMGQXDJF-ATVHPVEESA-N	314.344	3.885	50	20	DHGD	
CC(C)CN(C(=O)/C(C#N)=C/c1ccc(O)cc1)C1CCCC1	787268633	YJXGIHXTKZTIKC-LFIBNONCSA-N	312.413	3.726	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)c1cc([N+](=O)[O-])ccc1O	789021435	XKJMCBJWHGZYJE-UHFFFAOYSA-N	319.361	3.543	50	20	DHGD	
COc1ccc(Cl)cc1NC(=S)NCCSSC	789324597	ISHRBUHCYNXNDU-UHFFFAOYSA-N	322.908	3.646	50	20	DHGD	
CCN(c1ccc(C(=O)NCCSSC)cc1)C(C)C	791154363	CAZLNANNEGJTIX-UHFFFAOYSA-N	312.504	3.662	50	20	DHGD	
Cc1cccnc1NNC(=O)C1CCC(c2ccccc2)CC1	791224914	JOMOMAAEKZKLRL-UHFFFAOYSA-N	309.413	3.807	50	20	DHGD	
C=C(CBr)COC(=O)C(F)(F)c1ccc(C)cc1	795589264	SRBRBEPETNSLJM-UHFFFAOYSA-N	319.145	3.581	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1nc(C)c(C)o1	812316212	DDQOVIBPRMNHQQ-UHFFFAOYSA-N	302.378	3.872	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2n[nH]cc2c1	812761937	HOUALDDUWFNFJH-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCCC12CCCC2	814746913	FSPWFVCZLJXSIK-UHFFFAOYSA-N	309.413	3.927	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCc2c(Cl)cccc21	817010644	KQXAKYXPLOSBTN-NSHDSACASA-N	322.195	3.562	50	20	DHGD	
O=C(C[C@@H]1C=CCCC1)NNc1cc(Cl)nc(Cl)c1	819747365	OMNIDCBQNIOHGB-SECBINFHSA-N	300.189	3.578	50	20	DHGD	
CC(C(=O)NNc1ccc(C#N)cc1C(F)(F)F)=C1CCC1	831778068	JDWKWYHUJHVCLN-UHFFFAOYSA-N	309.291	3.521	50	20	DHGD	
C[C@@H]1COCC[C@@H]1OC(=O)CCCC[C@@H]1CCSS1	835784911	OFGZIFWDPWYTGI-UPJWGTAASA-N	304.477	3.669	50	20	DHGD	
N#Cc1ccc(C(=O)NN=C[C@H]2CCC[C@@H](C(F)(F)F)C2)cc1	853297735	KBYXNAJYEYFTHL-GXTWGEPZSA-N	323.318	3.643	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cnn(CC2CCC2)c1	899339852	WHKYTSISFNEQEV-MFOYZWKCSA-N	320.396	3.537	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C/c2cc(C(=O)O)co2)s1	899371495	RCPXFFIPDOLFGY-RUDMXATFSA-N	302.355	3.796	50	20	DHGD	
CCCC(C)=NNC(=O)CSc1nc2ccccc2s1	916304318	LZNICNVWKQVFSQ-UHFFFAOYSA-N	307.444	3.681	50	20	DHGD	
CCCCCNC(=O)NNc1ncc(C(F)(F)F)cc1Cl	918146371	YTDNYCIVSLMOOV-UHFFFAOYSA-N	324.734	3.570	50	20	DHGD	
CC(C)(C(=O)NN=CCCc1ccc(F)cc1)c1ccccc1	1116956609	GTODIQGPIZNNCO-UHFFFAOYSA-N	312.388	3.838	50	20	DHGD	
COc1cccc([C@H](C)C(=O)NNc2ccc(C)c(Cl)c2)c1	1321931759	RRNQTOOZFNPVLZ-LBPRGKRZSA-N	318.804	3.904	50	20	DHGD	
CCCC[C@H](C)C(C)=NNC(=O)c1cncn1-c1ccccc1	1323620189	YHJZNDFXBSHFAX-AWEZNQCLSA-N	312.417	3.804	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](OC2CCC2)C1	1336020310	YBBXWFDJFCHWAA-MRXNPFEDSA-N	307.821	3.599	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNc1cccc(C(=O)O)c1C	1595669808	JVYMOPCEWIEVGB-CYBMUJFWSA-N	306.406	3.743	50	20	DHGD	
O=C(O)c1ccc(C(=O)NN=C2CCCCC23CCCC3)cc1	1776100801	AQMAXLCZMLAUGL-UHFFFAOYSA-N	314.385	3.605	50	20	DHGD	
Cc1nc(C)c(C(=O)NNc2cccc(C(F)(F)F)c2)s1	72515083	ZCFFOOIPTVTZPB-UHFFFAOYSA-N	315.320	3.536	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3cccc(C)c3)on2)cc1	75816318	KGGNMYUEEFCTPL-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
O=C(CCl)N1CCCc2cc(Br)cc(Cl)c21	105901063	PJMXJZHHZZXNKN-UHFFFAOYSA-N	323.017	3.621	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)c1ccsc1	124097143	OEWKSOFDRFZCJD-UHFFFAOYSA-N	305.161	3.951	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cc(Cl)ncc1Cl	125013450	VCTWLQHEZNIOGU-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(-c3ccccc3F)on2)cc1	128317024	RARWWAMVOGLHCR-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc(Cl)cc2cccnc12	153186667	AESOUYUBSMJILD-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccc(OC(F)F)c(F)c1	162396842	ZJCUNUFQMJZAIX-YRNVUSSQSA-N	313.275	3.677	50	20	DHGD	
Cc1ccccc1C1(C(=O)NNc2ccncc2)CCCCC1	183006958	RTNBEOBXOAUSEJ-UHFFFAOYSA-N	309.413	3.735	50	20	DHGD	
CCCCOc1ccccc1/C=C(\C#N)C(=O)NCc1ccco1	184746882	RWNSPWVJFCLOAW-FOWTUZBSSA-N	324.380	3.682	50	20	DHGD	
CC[C@H]1C[C@@H](CC(=O)NNc2cccc3c2CCCC3)CCO1	272732112	AYZRJZSCPYZLME-HOCLYGCPSA-N	316.445	3.604	50	20	DHGD	
CC[C@H](C)C(=O)NNC(=O)Nc1ccccc1-c1cccs1	273282323	AOVOOLZSVAVSFS-NSHDSACASA-N	317.414	3.614	50	20	DHGD	
Cc1csc2nc([C@H]3CC[C@H](Br)C3)nc(O)c12	277448501	HPONGNQWQJYRCB-YUMQZZPRSA-N	313.220	3.736	50	20	DHGD	
CCCN(N=Cc1nc2ccccc2n1C)C(=O)OC(C)(C)C	495677640	QGGTUQMJHWJTSZ-UHFFFAOYSA-N	316.405	3.554	50	20	DHGD	
COC(OC)C(=O)Nc1cccc(S(F)(F)(F)(F)F)c1	692527648	JIJDLDFUZVPESM-UHFFFAOYSA-N	321.267	3.901	50	20	DHGD	
CCC(Cc1cccs1)=NNC(=O)c1ccc(C)cc1O	730946573	CSSOZHXWGCTISV-UHFFFAOYSA-N	302.399	3.501	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(\C#N)C(=O)N(C)c2ccccc2)o1	732804618	SQZSKJJGMLAIPX-DJJZEKFXSA-N	306.365	3.973	50	20	DHGD	
Cc1ccc(CC(=O)NNc2nccc3sccc23)cc1C	734250128	QXLQSWTVRJIHKG-UHFFFAOYSA-N	311.410	3.599	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ncccc1C(F)(F)F)C(C)C	740100455	NSZLVFIRBXXURK-JTQLQIEISA-N	303.328	3.616	50	20	DHGD	
O=C(NN=C1COc2ccc(F)cc21)c1cccc2ccccc12	741463122	ZPNWHRLCYQDUJK-UHFFFAOYSA-N	320.323	3.505	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@H]2c2ccc(F)cc2)c(C)c1	743762760	KHLFQCLCJBFPBP-DLBZAZTESA-N	312.388	3.998	50	20	DHGD	
CC(C)C[C@@H](C(=O)NNc1cccc(C#N)c1)c1ccccc1	748046254	YXKQVXCOJHRZBI-GOSISDBHSA-N	307.397	3.831	50	20	DHGD	
CCS[C@@H](C(=O)NNc1cccc2c1CCCC2)C(C)C	748588007	GERJHVMSVAVRJU-MRXNPFEDSA-N	306.475	3.786	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1cccc(-c2ccncc2)c1	752172191	FXHRVDUYILZYOL-UHFFFAOYSA-N	319.364	3.804	50	20	DHGD	
CC[C@H]1CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)CC1	752408794	QIJXUHIPLSLGJL-AOHITCTBSA-N	300.377	3.771	50	20	DHGD	
CC(C)(C)CC=NNC(=O)COc1cccc(C(F)(F)F)c1	755507987	XGALTAXDIFELLV-UHFFFAOYSA-N	316.323	3.622	50	20	DHGD	
Cc1cccc(C)c1/C=C(\C#N)C(=O)c1ccc2c(c1)OCO2	755587285	GLSZAPOYRFQPDE-OVCLIPMQSA-N	305.333	3.822	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1coc(-c2ccccc2)n1	755649380	VZVBVHATLISJBK-UHFFFAOYSA-N	320.352	3.806	50	20	DHGD	
C[C@@H]1CCc2ccccc2[C@@H]1NC(=O)NNc1cccc(C#N)c1	763091256	PJKKSEGUKVLMJS-FZKQIMNGSA-N	320.396	3.508	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(F)cc2F)cc1C1CC1	768092934	AHHMAEYKCCLGFU-UHFFFAOYSA-N	318.323	3.608	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2csc(C(C)C)n2)cc1	768767895	MZVVVAOBDZKALJ-UHFFFAOYSA-N	315.442	3.983	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3ccc(F)c(C#N)c3)[nH]c12	770571103	ADKAYLAPPCQCLJ-ZSOIEALJSA-N	302.312	3.946	50	20	DHGD	
Cc1cc(-c2ccccc2)ccc1NC(=O)NN=c1cc[nH]cc1	782012147	IZCZRUKEFVLIHZ-UHFFFAOYSA-N	318.380	3.628	50	20	DHGD	
Cc1ccc(C)c(-c2cc(C(=O)NN=C3CCC[C@H]4C[C@@H]34)n[nH]2)c1	800814652	SZQFMRBCFAXTEW-DZGCQCFKSA-N	322.412	3.599	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccc2c(c1)-c1ccccc1C2	804773461	WMYNGTSNLRUYPU-UHFFFAOYSA-N	319.339	3.549	50	20	DHGD	
Cc1c(NC(=O)NNc2cccc(Cl)c2)ccnc1Cl	810299498	LJMUIHWRWQZLIC-UHFFFAOYSA-N	311.172	3.845	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2cccc(Cl)c2F)c1	810682918	SOUKAFAXTVCHQX-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1conc1C1CC1	811448031	RYCHFVXNZJPEAO-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CSC(C)(C)CC=NNC(=O)CSc1ccc(C)cc1	814753076	FFCXKPUQLLKCBX-UHFFFAOYSA-N	310.488	3.721	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	817007212	QXNAYRGHTUYODA-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCN(c3ccccc3)C2)cc1	837053391	NWOPGCTUMXZAIT-QGZVFWFLSA-N	323.440	3.780	50	20	DHGD	
CC[C@H](NC(=O)NNc1c(C)cccc1Cl)c1ccncc1	838489288	ATIPGNSGYKDPEI-AWEZNQCLSA-N	318.808	3.821	50	20	DHGD	
C[C@@H]1O[C@H](C)C[C@H]1CNCc1ccc(OCCCCl)cc1	840964622	SPLBVRAIVORFRA-YCPHGPKFSA-N	311.853	3.597	50	20	DHGD	
O=C(/C=C\C1CCCC1)NNc1ccc(OC(F)(F)F)cc1	843831722	YOXDBZFLWLLNEV-YHYXMXQVSA-N	314.307	3.775	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(C#N)cc1F	851924240	LNURRLTZMSMCSU-QCZZGDTMSA-N	311.198	3.521	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCc1cccnc1Cl	854335297	DFWZIUVRYVJLGM-UHFFFAOYSA-N	317.820	3.682	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)c2nc(C)cs2)c(Cl)c1	854843073	IFOSTVGAFALOKT-SNVBAGLBSA-N	309.822	3.660	50	20	DHGD	
CS[C@H](C)CC(=O)NNc1nc2ccc(Cl)cc2s1	856234574	CXQXEIBQBTUBMP-SSDOTTSWSA-N	315.851	3.534	50	20	DHGD	
Cc1cccc(C(=O)NC[C@@]2(C)C[C@H]2Br)c1Cl	857393578	LMGVVAMHDVXDCU-ZWNOBZJWSA-N	316.626	3.552	50	20	DHGD	
CN(C[C@H](CBr)C1CC1)C1Cc2ccccc2C1	859090179	OJILNBGLCJBBSM-HNNXBMFYSA-N	308.263	3.507	50	20	DHGD	
C#CCC(C)(C)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912583739	ZISUSXXDOVSOKX-CQSZACIVSA-N	309.526	3.659	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C/C=C/c2ccccc2)c(C)c1	916358337	NVODRIOLAWMLFZ-LHQULTAUSA-N	307.397	3.531	50	20	DHGD	
Cc1ccc2c(C(=O)/C(C#N)=C\c3c(C)n[nH]c3C)c[nH]c2c1	920068220	LUDNIRSQDSKTDK-QPEQYQDCSA-N	304.353	3.606	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNC(=O)c1ccccc1Cl	1320944856	JLWIXRJZYAIXII-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)CCC2	1323742763	AYCSREOHJIERNF-ZDLGFXPLSA-N	320.367	3.538	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(CSc2ccc(C)cc2)o1	1326049772	MFFLXFZZBRLRFN-XFXZXTDPSA-N	301.371	3.571	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H]1[C@@H](O)c1ccccc1	1520374818	VPWBPLCNKJRNRN-BACDZXNISA-N	321.848	3.509	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2ccc(OC)cc2OC)c1	7211304	VNZUBKXWWBIXRP-OQLLNIDSSA-N	323.348	3.502	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2ccccc2Cl)c(C)o1	65494778	ZTJZBNXOTPVMLJ-JTQLQIEISA-N	307.781	3.937	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1C[C@@H]1c1cccc(Cl)c1	114884264	PARHGOYYXRREHW-VXGBXAGGSA-N	322.195	3.635	50	20	DHGD	
Cc1cccc(Cl)c1NC(=O)NNc1ccc(C#N)cc1	129003096	AFJUYOHWTPRTEP-UHFFFAOYSA-N	300.749	3.669	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(C)ccc1F)c1ccc(F)cc1	150764296	VDGLDRFIYSWUIZ-BENRWUELSA-N	302.324	3.820	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H](OC(C)(C)C)c2ccccc2)c1	151358508	DLMJIQCCONWCTL-KRWDZBQOSA-N	312.413	3.995	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c[nH]nc2-c2ccccc2F)c1	158935749	OGZAWELELSGRHW-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1ccc(Cl)s1	178523409	CHAXWMCOMFZBMV-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
CCCCCCOc1ccc(C(=O)NNc2ccncc2)cc1	180535549	GOKGXJUEAJJJMF-UHFFFAOYSA-N	313.401	3.798	50	20	DHGD	
COc1cccc(NNC(=O)c2ccc(-c3ccccc3)cc2)n1	180726131	GNJQKJSUQSTWRJ-UHFFFAOYSA-N	319.364	3.514	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@H]1C(=O)NNc1ccc2ccccc2n1	181091335	LPCJFOAXIQNWNE-ZIAGYGMSSA-N	323.421	3.852	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)C1(c2ccccc2)CC1	181283482	NAZIYZKHPNZTQY-UHFFFAOYSA-N	317.392	3.718	50	20	DHGD	
N#C/C(=C\c1ccccc1[N+](=O)[O-])c1cnc2ccccc2n1	191361770	GFOVEBLZALRLEW-UKTHLTGXSA-N	302.293	3.602	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccncc2)c1C	255239312	FFETXHWTGGQTBQ-ATVHPVEESA-N	322.412	3.846	50	20	DHGD	
O=C(/C=C\c1cccs1)NNc1cccc(C(F)(F)F)c1	255500532	QTJFORRQSUZWAX-SREVYHEPSA-N	312.316	3.923	50	20	DHGD	
N#C/C(=C\c1c(Cl)oc2ccccc12)C(=O)N1CCCC1	270515365	PNABEWDJBXVHSC-PKNBQFBNSA-N	300.745	3.616	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc(Cl)ccc1OC(C)C	276807634	ZJCIIIQUDHJBQI-UHFFFAOYSA-N	319.792	3.588	50	20	DHGD	
C=C(CBr)CN[C@@H](c1ccccc1)c1nccs1	375601484	YUGAPPGEXPLKKX-ZDUSSCGKSA-N	323.259	3.773	50	20	DHGD	
CCCN(N=C(C)c1ccccc1C#N)C(=O)OC(C)(C)C	495720306	MEOMQRXCNXVKGQ-UHFFFAOYSA-N	301.390	3.929	50	20	DHGD	
CCCN(C(=O)NNC(=O)C(C)(C)C)[C@@H](CC)c1ccccc1	731499322	NNNFQTOIOBKURM-HNNXBMFYSA-N	319.449	3.637	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)c1ccc(C(C)C)cc1)c1ccccc1	731999253	NSRIDIRCNWTERO-SFHVURJKSA-N	324.424	3.765	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(Br)c1)C(=O)c1ccco1	732577668	SQTATDCMNZSHQB-POHAHGRESA-N	318.126	3.538	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccc(F)cc1C	734094556	PJOFSJMNRHEUFN-UHFFFAOYSA-N	320.751	3.647	50	20	DHGD	
CN(C)c1ccc(NC(=O)NN=Cc2cccc(Cl)c2)cc1	741765276	VCJSIPVNFYUQPE-UHFFFAOYSA-N	316.792	3.562	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)CC2CCCCC2)c(Cl)c1	743825012	NUEZLGSZHGOUMC-UHFFFAOYSA-N	323.824	3.772	50	20	DHGD	
CCC(=NNC(=O)c1ccc(C#N)cc1)c1ccc(Cl)cc1	747050473	DTQOUDIEGQJDSO-UHFFFAOYSA-N	311.772	3.756	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1cc(C)cc(C)c1	748380754	RXMNNWJJVUBQSC-KRWDZBQOSA-N	304.434	3.874	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)[C@@H]1CC=CCC1	748740844	OMSNJRZQBWLIRZ-LLVKDONJSA-N	309.207	3.557	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccccn2)C[C@H](c2ccccc2)C1	749853723	VDPYIKHZTNIOAJ-GDBMZVCRSA-N	307.397	3.771	50	20	DHGD	
CC(C)C(=NNC(=O)COc1ccc2ccccc2c1)C1CC1	750932918	SZJBBGVMVVTZBU-UHFFFAOYSA-N	310.397	3.757	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1sc(C(C)C)nc1C	752171682	AYFKYNZUOYOUKF-UHFFFAOYSA-N	305.403	3.630	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=Cc2c(C)cccc2C)c1C	755553591	USTOIJZOUPYSTO-KRWDZBQOSA-N	324.424	3.838	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)c1ccc(Cl)cc1F	755756788	ZNVLKPWXVPVURZ-UHFFFAOYSA-N	304.752	3.860	50	20	DHGD	
N#C/C(=C\c1ccc(N2CCCC2)nc1)C(=O)c1ccccc1F	758418952	SRLAIGUPLNHGPK-RVDMUPIBSA-N	321.355	3.611	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)C(C)(C)C	761581460	RIPYKYMDJRKFHL-SECBINFHSA-N	304.312	3.711	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@@H](C)[C@@H](C)C1	767387222	YNSJIACDRJPAHR-OLZOCXBDSA-N	320.458	3.716	50	20	DHGD	
C[C@@H](CBr)COC(=O)/C=C\SCc1ccco1	770395664	HLABLQRMPBMMKE-OAQKJQOQSA-N	319.220	3.601	50	20	DHGD	
Cc1cc(C)nc(NC(=O)NNc2c(F)cccc2Cl)c1	771195906	UNDVTIUGLFLCKT-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
COc1cccc(OC)c1/C=C(\C#N)c1nc2cccc(C)c2[nH]1	776190115	NYFURGOJNXSCJP-JLHYYAGUSA-N	319.364	3.953	50	20	DHGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1ccc(O)cc1	776758759	YABCIZDSRPQKEP-UHFFFAOYSA-N	324.355	3.885	50	20	DHGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)c2c(C)nc3ccccn23)C1	783798141	YTMAYNGRSPUZIY-HUUCEWRRSA-N	312.417	3.575	50	20	DHGD	
C[C@H](OC(=O)[C@H](Br)C(C)(C)C)c1cccc(C#N)c1	784732349	GLNQFOIWFMBOSP-GWCFXTLKSA-N	324.218	3.972	50	20	DHGD	
COc1cc(NNC(=O)Nc2ccc(C)cc2)ccc1Cl	788540536	LEHAJALFWDCZMI-UHFFFAOYSA-N	305.765	3.806	50	20	DHGD	
CCc1c(C(=O)NNc2ccc(F)cc2)cnn1C(CC)CC	790254829	FAFWBPUBICXUNS-UHFFFAOYSA-N	318.396	3.703	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791069011	ARPDDEOSKLDQKC-UHFFFAOYSA-N	311.357	3.784	50	20	DHGD	
CSSCCNC(=O)c1cc2c(s1)CCCCC2	791116357	IUKODWJWTXJNML-UHFFFAOYSA-N	301.502	3.758	50	20	DHGD	
C[C@H](CBr)CN1CC[C@]2(C)[C@@H](C1)C2(Cl)Cl	792908235	LOPLXXSJRYSASZ-OPRDCNLKSA-N	315.082	3.533	50	20	DHGD	
COC(=O)c1ccc(Cl)c(/C=C(\C#N)c2nc(C)cs2)c1	797406954	ZZGUDTSRZBPKQF-WUXMJOGZSA-N	318.785	3.956	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc2cc(F)ccc2[nH]1	799756808	JJTUCIUIZLCGDF-UHFFFAOYSA-N	311.360	3.935	50	20	DHGD	
CC(C)(C)CCC(=NNC(=O)CC(F)(F)F)c1cscn1	807964351	FIGJKKAZZWPWPW-UHFFFAOYSA-N	321.368	3.742	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cncc(C(F)(F)F)c1	809576754	QWLUTMJSFVRTHW-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCCc1csc(NC(=O)NNc2ccc(OCC)cc2)n1	836493427	LYMFRINIFPMFGN-UHFFFAOYSA-N	320.418	3.643	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	836937174	VWNOHLQQQGMJPK-RYUDHWBXSA-N	322.836	3.733	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OC[C@H]1CCCCC1(F)F	837679183	QLNCWNLDBUUKQZ-YVGNARHYSA-N	305.324	3.962	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccn1)c1cccc(C2CC2)c1	848157166	FVGJXXNHXWZNPM-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
CC[C@H](C)n1nc(C(=O)NNc2cc(F)cc(Cl)c2)cc1C	855618358	CIWWAFDSTSJZJK-VIFPVBQESA-N	324.787	3.712	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856092960	MHHQFEOAPKMZSD-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@@H](c3cccnc3)C2)C[C@@H]1Br	856809230	KXSYESWXBUVQQJ-DMRZNYOFSA-N	323.278	3.871	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)[C@@H]1CCC(=O)[C@H](C)C1(C)C	885127303	QHDHQXWWKQRDLN-AAEUAGOBSA-N	322.836	3.733	50	20	DHGD	
C[C@@H](Cc1cccnc1)NC(=O)CCCC[C@@H]1CCSS1	889655971	VMURCDAYLQAKOP-DZGCQCFKSA-N	324.515	3.843	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)C(=O)C2CCCCC2)cs1	901485141	DBGZQFXAUVLDTB-QPEQYQDCSA-N	303.383	3.591	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@H]2CC=CCC2)C1	912582542	AEXQDGSMYUUIKO-CABCVRRESA-N	309.526	3.965	50	20	DHGD	
CC(C)c1cccc(OCC(=O)NNc2cccc(Cl)c2)c1	914872659	JQRDNCCQGHYWLU-UHFFFAOYSA-N	318.804	3.986	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cc(F)ccc2F)cc1	918883001	WQMLSVBYQFWXMC-RIYZIHGNSA-N	313.303	3.924	50	20	DHGD	
O=C(OCC1CC1)Oc1cc(Cl)c([N+](=O)[O-])cc1Cl	922019437	KFRXNYLLLLWXJI-UHFFFAOYSA-N	306.101	3.827	50	20	DHGD	
O[C@@H]1CC[C@H]1NCc1cccc(S(F)(F)(F)(F)F)c1	922197607	IMVKHPILPRQASN-GHMZBOCLSA-N	303.296	3.957	50	20	DHGD	
CCCN(C[C@H](C)CBr)[C@@H]1[C@H]2CCO[C@H]2C1(C)C	1116630773	OXLCVPRDPBKNEW-AAVRWANBSA-N	318.299	3.543	50	20	DHGD	
O=C(NC1CCN(c2ccccc2)CC1)C1CCC(Cl)CC1	1123604510	MRHYXOGGLVHYDN-UHFFFAOYSA-N	320.864	3.569	50	20	DHGD	
N#CC1=CCN(C(=O)c2c(Cl)cc(Cl)cc2Cl)CC1	1137601601	SKDGITVQMBRFAB-UHFFFAOYSA-N	315.587	3.943	50	20	DHGD	
O=C(NCc1ccc2c(c1)CCC2)NNc1ccccc1Cl	1317871247	JACHXBWXNLTTSF-UHFFFAOYSA-N	315.804	3.655	50	20	DHGD	
O=C(CCl)Nc1ccc(Cl)c(C(=O)Nc2ccccc2)c1	1324707623	XNRLNIDUIVYAIG-UHFFFAOYSA-N	323.179	3.770	50	20	DHGD	
C[C@@]1(COC(=O)c2nccc3ccccc23)C[C@@H]1Br	1344048855	NPRUONCUTCNNBC-WFASDCNBSA-N	320.186	3.565	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C/c2ccc(C#N)cc2)c1C	6608309	RJOZCXBXIOOGIG-WOJGMQOQSA-N	315.376	3.953	50	20	DHGD	
N#CC(C#N)=CNC[C@@H](c1ccccc1)c1c[nH]c2ccccc12	13142953	QQYGUWMNPHVTKI-SFHVURJKSA-N	312.376	3.820	50	20	DHGD	
C[C@H](C(=O)NNC(=O)CC(C)(C)C)c1ccc2ccccc2c1	84631640	WLFIJLFBPHRRSG-ZDUSSCGKSA-N	312.413	3.527	50	20	DHGD	
Cc1ccnc(NNC(=O)c2ccccc2Oc2ccccc2)c1	88424111	VLVCHXXZLLGZQL-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2ccc(F)cc2F)cc1	133060581	KULRWJGXBKAQNO-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
COc1ccc2oc(C(=O)NNc3ccccc3F)c(C)c2c1	153042269	HRULQYUWRDMMQO-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
CC(C)(C)c1ncc(/C=C/C(=O)NNc2ccc(F)cc2)s1	173281609	UKLJPNXACOVXIT-CMDGGOBGSA-N	319.405	3.736	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccc(-c2ccccc2)cc1	175769255	KRUUHVVAGNHWDP-UHFFFAOYSA-N	304.353	3.897	50	20	DHGD	
Cc1cc(C(F)(F)F)ccc1CNC(=O)NNc1ccccc1	190563618	KEIMGLMZEUJARO-UHFFFAOYSA-N	323.318	3.840	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)Nc2ccc(CCCC)cc2)cn1	194518957	SREAQLOADDBWJP-GZTJUZNOSA-N	320.396	3.872	50	20	DHGD	
Cc1cccc(C)c1NC(=O)CN(C)/C(=C\C#N)c1ccccc1	255622909	VIQCYFAOHBFNBV-PDGQHHTCSA-N	319.408	3.738	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)c(Br)c1	295834286	HMRFRBXNKBNEQO-YRNVUSSQSA-N	310.166	3.982	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)C1(c2cccnc2)CCCC1	366045139	GIJKIHFZGKCNGI-UHFFFAOYSA-N	315.804	3.690	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cc(C)cc2C)cn1	490908766	LLMSOZNNUMTRDU-SXGWCWSVSA-N	321.380	3.561	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C\c1scnc1C1CC1)c1ccccc1	491051655	TUSGVTKFJOLQLP-ZENNRRHLSA-N	323.421	3.805	50	20	DHGD	
O=C(/C=C\c1cccc(OC2CCCC2)c1)NNc1ccccn1	492353232	YFJZYESSVJHVTB-QXMHVHEDSA-N	323.396	3.560	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)Cc1nc(C)cs1	725859404	VVMOXSAFTBIXJA-ZDUSSCGKSA-N	307.463	3.869	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(O)c(C)c1	728225630	XCPHHMNZCREZJR-UHFFFAOYSA-N	302.761	3.508	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1ccc(SC(C)C)cc1	728427649	UOXNMGLVRDSZOM-UHFFFAOYSA-N	313.426	3.736	50	20	DHGD	
Cc1cc(NNC(=O)CCC(C)(F)F)ccc1Br	734253055	QKGNTRRCEOUZAP-UHFFFAOYSA-N	321.165	3.636	50	20	DHGD	
CCC(CC)CNC(=O)NNc1ccccc1C(F)(F)F	739035650	VYFMKMNRQQCEIP-UHFFFAOYSA-N	303.328	3.768	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(F)cc1F)c1cccc(Cl)c1	743336647	NSZHSZKXMRRQAL-SECBINFHSA-N	310.731	3.865	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(Cl)cc2F)ccc1F	747645250	AKRDCSVUTBMVIZ-UHFFFAOYSA-N	308.715	3.691	50	20	DHGD	
CC(C)C[C@@H](C)CC(=O)NNc1cccc(Br)c1	748030048	ISQPDPFHKCUGQD-LLVKDONJSA-N	313.239	3.965	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@@H]1CCSc2ccccc21	748571653	LJEUUCGJYIDFDO-CQSZACIVSA-N	316.401	3.857	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc2C1)NNc1ccc(Cl)cc1	749276156	HPSBYYIXKMACGL-ZDUSSCGKSA-N	314.816	3.978	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCC[C@H](OCC(F)(F)F)C1	750800389	SQVXKHSMYYVBJP-QDECMSLZSA-N	310.319	3.594	50	20	DHGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)c1cnccn1	751155165	APLXESNTYJIUFE-RYUDHWBXSA-N	312.460	3.795	50	20	DHGD	
O=C(NN=C[C@H]1CCOc2ccccc21)c1cccc(Cl)c1	752158127	KETCLFICPICSGC-CYBMUJFWSA-N	314.772	3.622	50	20	DHGD	
CC(Cc1ccc(C(F)(F)F)cc1)=NNC(=O)c1ccc(C)o1	752172179	FTVDNWOJWYMKNS-UHFFFAOYSA-N	324.302	3.955	50	20	DHGD	
C[C@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)C(C)(C)C	754147285	IMDMBXCSWZRSJZ-MRVPVSSYSA-N	306.303	3.970	50	20	DHGD	
O=C(NN=CCCc1ccccc1)c1cccc2ncccc12	755702276	WIEHQJMRRDTGPE-UHFFFAOYSA-N	303.365	3.583	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C(C)CC1CCCC1	761281131	HTUZHKMFAVRIAQ-UHFFFAOYSA-N	320.458	3.860	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cc(F)c(F)cc2F)c1	767716336	AXSLHGVNCGQITJ-XGICHPGQSA-N	317.266	3.902	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCc2c(F)cccc21	768447446	LWFMHUMCHBXFAK-LBPRGKRZSA-N	314.198	3.524	50	20	DHGD	
C[C@@H](CNC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)C(C)(C)C	769858393	HSCGYFXROQUFJQ-JUFZMCDQSA-N	316.283	3.739	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(C)oc2C(F)(F)F)c1	771432133	QOYZCGJEXPHQJZ-UHFFFAOYSA-N	316.254	3.811	50	20	DHGD	
CC[C@H](Cc1ccccc1)C(=O)NNc1c(C)cccc1F	771697701	RYDQVDCVJDIABG-OAHLLOKOSA-N	300.377	3.846	50	20	DHGD	
Cc1ccc(C(=O)COC(=O)/C(C#N)=C\c2ccccc2)c(C)c1	785352485	WQCLBAWXKWZEMW-BOPFTXTBSA-N	319.360	3.637	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cc(C)ccc2C)c1	786048886	BIKVBKIJUUGRQT-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1ncc(-c2ccccc2)o1	786674448	UCRHKLLOMHMZFE-KMHUVPDISA-N	308.337	3.806	50	20	DHGD	
CC(=NNC(=O)Nc1ccccc1C)c1cnn(C(C)C)c1C	787153599	MXMRUXDZCAFIDS-UHFFFAOYSA-N	313.405	3.627	50	20	DHGD	
C=C(CBr)CN1CCC[C@@](C)(c2ccccc2)C1	791458721	LOHPUENBXRFMHO-MRXNPFEDSA-N	308.263	3.991	50	20	DHGD	
N#CCc1cccc(C(=O)NNc2cc(Cl)cc(Cl)c2)c1	791716979	DOIOAABOHKHPEU-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
COC(=O)N(C)N=Cc1ccc(Oc2cc(F)cc(F)c2)cc1	794958308	WDBVFXGTVRGBQZ-UHFFFAOYSA-N	320.295	3.789	50	20	DHGD	
CC(C)c1ncc(CN(C)/C(=C/C#N)c2ccc(F)cc2)cn1	799333756	GGHBDIZZMTXTQI-CAOOACKPSA-N	310.376	3.736	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H](CC)CC(F)(F)F	799622512	NVXQIIGLTFLOGQ-LBPRGKRZSA-N	317.355	3.915	50	20	DHGD	
Cc1cc(NNC(=O)C2CC(C)(C)C2)ccc1Br	802828008	SKYLPWDBKUIIAS-UHFFFAOYSA-N	311.223	3.637	50	20	DHGD	
CC[C@@H](C)CCCCC(=O)NNc1ccc2c(=O)[nH]ccc2c1	803439326	AWWGNCLJPNLWCV-CYBMUJFWSA-N	315.417	3.578	50	20	DHGD	
CC(C)[C@@H](CC1CCCCC1)C(=O)NNc1cccc(F)n1	804764711	AOPTUTJBWMQBFC-CQSZACIVSA-N	307.413	3.906	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H](C)Cc2cncc3ccccc23)cc1	806398332	FOAXRSZDTBYOSI-HNNXBMFYSA-N	319.408	3.865	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2cc3ccccn3n2)cc1	806647790	HCTRVFTWDJRQEE-UHFFFAOYSA-N	323.400	3.780	50	20	DHGD	
COc1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)ccc1O	812246912	WOLDELRPSCDSFK-IZZDOVSWSA-N	320.270	3.879	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccncc1Cl	812766028	DSOUBHAYLNPFCE-UHFFFAOYSA-N	303.793	3.924	50	20	DHGD	
CCCOc1ccc(C(=O)NN=CCCC(C)C)cc1OC	814755433	QGWKHOMGPDFOPR-UHFFFAOYSA-N	306.406	3.636	50	20	DHGD	
O=C(NN=C1CCn2cccc21)Nc1ccc(Cl)cc1Cl	814995870	HWGPIAWEPPGWOG-UHFFFAOYSA-N	323.183	3.724	50	20	DHGD	
Cc1ccc(SC2(C(=O)NN(C)C3CC3)CCCC2)cc1	819648532	HLDXWSZCVIPROC-UHFFFAOYSA-N	304.459	3.525	50	20	DHGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)[C@@H]1CCCCO1	834986815	XPKTVVFDXQSFDR-IBGZPJMESA-N	322.408	3.681	50	20	DHGD	
Cc1nsc(N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897196	ZUIMCRPQBXBUTH-LBPRGKRZSA-N	313.543	3.837	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)COc2ccccc2C(C)C)c1	857493973	NRTYWUMHFCEVBT-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
CCc1nc2ccccc2c(C(=O)NNc2ccccc2)c1C	868144704	ZJKFROUGCSLYEA-UHFFFAOYSA-N	305.381	3.863	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)cc1C	871599162	KZIDDOBCSPMONU-KTZOAPACSA-N	313.397	3.687	50	20	DHGD	
CC(C)c1ccccc1OCC(=O)NNc1ccc(F)cc1F	876972516	LKCLWGVKNFPABO-UHFFFAOYSA-N	320.339	3.610	50	20	DHGD	
CCCc1ncc(C(=O)NNc2cc(Cl)ccc2C)s1	885124851	FBOHPCLZEINKGK-UHFFFAOYSA-N	309.822	3.814	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1ccccc1O	915972499	OWJJIQURYRTOSE-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(C#N)cc2)cc1	916324968	WVYFOZXNLKFDAT-UHFFFAOYSA-N	305.381	3.620	50	20	DHGD	
COc1cc2c(cc1/C=C(/C#N)C(=O)c1ccoc1C)O[C@@H](C)C2	916545708	VBSFMFPWICWNBN-URXIRXLPSA-N	323.348	3.710	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2cc(F)ccc2F)n1	920387881	QCUUPOACBRISGN-BJMVGYQFSA-N	320.320	3.662	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1ccc(OCC(F)(F)F)cc1	920481883	BUFBMVPENZDWCR-UHFFFAOYSA-N	316.323	3.514	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2cc(Cl)ccc2Cl)cc1	1324382013	VNVRTUDXWVSYDZ-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CCn1cc(COC(=O)CCCC[C@H]2CCSS2)cn1	1346339229	SMJWYOATTAKOHV-ZDUSSCGKSA-N	314.476	3.660	50	20	DHGD	
COC(=O)[C@H](C)c1cccc(NC(=O)C2CCC(Cl)CC2)c1	1349941018	KBWQYAYGIIZVSD-LKSINWNRSA-N	323.820	3.699	50	20	DHGD	
O=C(/C=C/c1cccc(CCl)c1)c1cccc(-c2nn[nH]n2)c1	1592793348	BADXZTYBYSCLFA-BQYQJAHWSA-N	324.771	3.502	50	20	DHGD	
CC[C@@H]1CCC[C@@H](C=NNC(=O)Nc2ccc(C(=O)O)cc2)C1	1776045229	HAJXUVGFTHXGNY-CHWSQXEVSA-N	317.389	3.709	50	20	DHGD	
C=CCCCCC(C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045575	UUWNPWGNXRFWBB-UHFFFAOYSA-N	303.362	3.629	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1ccc(C(C)C)c([N+](=O)[O-])c1	23739595	MKNNFXUUEKECEX-NTUHNPAUSA-N	302.330	3.577	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)Nc1cc(Cl)ccc1Cl	103174355	XCYBHVJEZVYJMV-UHFFFAOYSA-N	318.204	3.582	50	20	DHGD	
O=C(CCc1nc2ccccc2s1)NNc1cccc(F)c1	154137530	VXILUHNAMSBZKX-UHFFFAOYSA-N	315.373	3.511	50	20	DHGD	
C=CCC[C@H](NS(=O)(=O)CCCCCl)c1ccccc1	154781425	CFRMTRJSIDZQLA-HNNXBMFYSA-N	315.866	3.632	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)c2nnc3n2CCCCC3)c1C	170869601	UTAWFXJSZTUCRM-LFIBNONCSA-N	309.417	3.507	50	20	DHGD	
O=C(CC[C@@H]1CCOC1)NN(Cc1ccccc1)c1ccccc1	176422339	IOAZMCQLLCUWDY-GOSISDBHSA-N	324.424	3.541	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cc2ccccc2s1	178867099	XOQVNYWBDJIQKQ-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc2cc[nH]c2c1	181267671	AOKWKKXEXCWREM-UHFFFAOYSA-N	316.364	3.781	50	20	DHGD	
O=C(CC1CCCC1)NNC(=O)Nc1cccc2ccccc12	186404564	ONVIYQUVJMPSBS-UHFFFAOYSA-N	311.385	3.573	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)NC1CCSCC1	195476022	GZIAAVCOEMISOT-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2cc(F)c(O)c(F)c2)cc1	255500409	NVFCOFZNAZEOQX-WUXMJOGZSA-N	314.291	3.525	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(Cl)c(F)c2)no1	266957625	WUJGPYLWBBGDHL-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@@H]1CCCC[C@H]1C(F)(F)F	269600242	KAHJPIFSQLRBTA-RKDXNWHRSA-N	322.277	3.777	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NN(c2ccccc2)c2ccccc2)CCO1	271920589	UKZQJMLLRNGEOH-JKSUJKDBSA-N	310.397	3.671	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)[C@@H]1CCCC(F)(F)C1	282613852	XHNXJGBKWBHTRA-SECBINFHSA-N	320.286	3.557	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)NCc2ccc(F)c(F)c2)s1	490690800	DPZVPIZVYQESRV-GHXNOFRVSA-N	318.348	3.558	50	20	DHGD	
COc1c(Br)cccc1/C=C(/C#N)C(=O)CC(C)C	588507086	NUTLAKSGKQHPNT-WQLSENKSSA-N	322.202	3.980	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)N[C@H](C)c2ccccc2)c1F	588619002	AMCOXPZTDHPKAO-YYTPVVGHSA-N	324.355	3.619	50	20	DHGD	
Cc1cc(NC(=O)NNc2cccc(Cl)c2)n(C(C)(C)C)n1	726871635	YJUZWPNPCBQCMI-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)CCCc2ccccc2)o1	727688962	KGGSFTQNDNOQTJ-WMLDXEAASA-N	310.397	3.876	50	20	DHGD	
Cc1ncc(C=NNC(=O)c2c(Cl)cccc2Cl)s1	727778643	DDPPYULJKCHXLX-UHFFFAOYSA-N	314.197	3.522	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(C)c1	728786217	VJEYKQKCEPXPSF-GDNBJRDFSA-N	309.369	3.635	50	20	DHGD	
CCc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)s1	731148983	COQDITOFQIZACS-UHFFFAOYSA-N	316.470	3.977	50	20	DHGD	
CC(=NNC(=O)Cc1ccccc1F)c1cccc(Cl)c1	731320660	OPFXRUDPYAXEQX-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
C[C@@H]1CC[C@H](NC(=O)NNc2cc(F)c(F)cc2F)[C@H](C)C1	734671405	QZTIKXWOPCBKEV-KKFJDGPESA-N	315.339	3.555	50	20	DHGD	
C=CC[C@@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C	735066914	ZIUSVRFGXVRYSC-IIMQCXAKSA-N	313.445	3.893	50	20	DHGD	
COc1ccc(F)cc1C(=O)NNc1c(C)cc(C)cc1C	743761693	NCYHXOPIIGJTQY-UHFFFAOYSA-N	302.349	3.516	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cccc(Cl)n2)cc1	744502857	VUNIWGVFPJHMDK-NTEUORMPSA-N	312.756	3.694	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)c(O)c1	746703219	LRCRFOWPYLVMJG-UHFFFAOYSA-N	324.302	3.690	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1F)C(C)(C)C	748202235	VLRBQVFSPZOINZ-QMMMGPOBSA-N	317.202	3.714	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1c(F)cccc1F	749536729	UFVTZEFZFKAXJO-HNNXBMFYSA-N	320.339	3.574	50	20	DHGD	
O=C(NN=C1CCCc2cc(O)ccc21)c1ccc(Cl)cc1	750911700	GKEWATQBBRMUCX-UHFFFAOYSA-N	314.772	3.516	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(-c3ccc(F)cc3)o2)o1	752175840	YOBSQIHLNZHORP-UHFFFAOYSA-N	312.300	3.751	50	20	DHGD	
CC[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752437348	DLAIXMRBUNZGKY-QOCWYBFNSA-N	300.377	3.818	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1nc(Cl)ccc1F	759661773	ZFOSFUKXVQSPRM-UHFFFAOYSA-N	319.767	3.510	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)C1Cc2ccccc2C1	762140920	XMAQCISWIZZOHG-UHFFFAOYSA-N	321.207	3.852	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1cccc(-c2ccoc2)c1	768507614	TUNULBDNPQUJSG-UHFFFAOYSA-N	318.336	3.580	50	20	DHGD	
Cc1ccc([C@H](C)NC(=O)NNc2c(C)cccc2F)s1	771305925	VWQWIAUOXOLCSU-NSHDSACASA-N	307.394	3.891	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)[C@H]1CCCc2ccccc21	777464876	KRUJNAHUSKTVET-KRWDZBQOSA-N	317.392	3.798	50	20	DHGD	
N#C/C(=C\c1ccc([N+](=O)[O-])cc1F)c1ccc([N+](=O)[O-])cc1	777911404	JEXUULLBRYKAPW-KPKJPENVSA-N	313.244	3.706	50	20	DHGD	
CCC(=NNC(=O)c1ccccn1)c1cccc2ccccc12	780186814	OEFCOXAMVPWVTJ-UHFFFAOYSA-N	303.365	3.779	50	20	DHGD	
C[C@H]1CCCN(S(=O)(=O)CCCCCl)c2ccccc21	780838272	CINJHOMAJOWCRY-ZDUSSCGKSA-N	315.866	3.739	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1cc(Cl)cc2cccnc12	786676350	QLUQZOQBAAJPPX-MLPAPPSSSA-N	312.756	3.791	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1	790807037	POGULNWZDJDOSB-UHFFFAOYSA-N	313.357	3.550	50	20	DHGD	
COCc1ccc(/C=C(\C#N)C(=O)c2ccc3ncccc3c2)o1	794883745	CYAGJVYSIQWEOJ-XNTDXEJSSA-N	318.332	3.764	50	20	DHGD	
N#C/C(=C/c1nc(-c2ccccc2)cs1)C(=O)C1CCOCC1	794959545	XYCIUQDSQKIGGU-GDNBJRDFSA-N	324.405	3.713	50	20	DHGD	
CN(C)C(=O)NN=C1CC[C@H](c2ccc(C(F)(F)F)cc2)C1	799479620	YQPUIDSJWLXSNN-NSHDSACASA-N	313.323	3.600	50	20	DHGD	
COc1ccc(-c2csc(/C(C#N)=C\c3cn(C)cn3)n2)cc1	800792969	FRDOKPMLTGYDCP-QPEQYQDCSA-N	322.393	3.616	50	20	DHGD	
CSC1(C=NNC(=O)c2c(Cl)cccc2Cl)CCC1	800811682	FFXVEXFPSDYMJL-UHFFFAOYSA-N	317.241	3.995	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cccc(Cl)c1Cl	808247913	VRUZZHLIYWMLIX-UHFFFAOYSA-N	301.000	3.869	50	20	DHGD	
CC(C)c1scnc1C(=O)NNc1nccc2sccc12	810405964	RICMEUUXEQZSIL-UHFFFAOYSA-N	318.427	3.633	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)c1ccc([N+](=O)[O-])cn1	812245142	QHCAYCFWHJMKHY-IQQCYWCCSA-N	313.263	3.888	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cnn(C(C)C)c1	812767044	RPHQJADNOLNBIK-UHFFFAOYSA-N	300.406	3.653	50	20	DHGD	
CCc1ccc([C@@H]2CCN(C(=O)NCCSSC)C2)cc1	814330031	IXXWZLUHBSUBAX-OAHLLOKOSA-N	324.515	3.759	50	20	DHGD	
CCCCCC(=NNC(=O)N=c1cc[nH]cc1)c1ccccc1	815002573	HISCIYFBPUOIHS-UHFFFAOYSA-N	310.401	3.610	50	20	DHGD	
CCCCCCCC(=O)NNc1ccc(C)c(C(=O)OC)c1	816688689	BZOVFFXGIJULBD-UHFFFAOYSA-N	306.406	3.585	50	20	DHGD	
C[C@@H]1C[C@@H](C)[C@@H](C(=O)NNc2ccccc2Cc2ccccc2)O1	846460252	AFAOGOQSARYGBD-CLCXKQKWSA-N	324.424	3.534	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@@H](OC2CCC2)C1	847039534	ZDKRWDLKFMEJOM-HJSBDDGSSA-N	300.377	3.724	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cccc(OC2CC2)c1F	849176216	IUVNUKGRUIQWDT-JLHYYAGUSA-N	303.333	3.617	50	20	DHGD	
CC(C)c1ccsc1C(=O)NC[C@@]1(C)C[C@@H]1Br	857399096	BNJFJDDHRBGTMF-GXFFZTMASA-N	316.264	3.775	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)cc1	861927917	UISZXNPRZNCVNN-GUDVDZBRSA-N	306.409	3.839	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2cccc(F)c2Cl)n1	862509918	QXDRMRAPTVNSLF-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C/c1ccccc1OC1CCCC1	920065952	ONBZVYLVSLCXAR-LFIBNONCSA-N	312.413	3.687	50	20	DHGD	
CC(C)c1ccc(NNC(=O)N[C@H](c2ccccn2)C2CC2)cc1	925577645	PNNZZISAWWOEFN-SFHVURJKSA-N	324.428	3.982	50	20	DHGD	
COc1ccc2c(c1)CN(C(=O)CCl)[C@H](c1ccccc1)C2	1323269233	KBINLPGLVLGVKA-KRWDZBQOSA-N	315.800	3.560	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2CCCC(F)(F)C2)cc1Cl	1325204200	QYSYXIBIJWTACF-SNVBAGLBSA-N	302.752	3.917	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)c2cccc3ncccc23)cs1	1326866533	SZHANRFSPKOBCY-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)OCC=C(C)C)c1C	1345704615	YRYVCQBNIJPDLB-BOPFTXTBSA-N	300.402	3.931	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC=C(c2ccc(O)cc2)CC1	1527410934	YQJLEPHQYOVEOI-UHFFFAOYSA-N	319.832	3.806	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2cccc(C)c2)cc1	6947315	BNKRRINDEQJSCW-FOWTUZBSSA-N	306.365	3.939	50	20	DHGD	
Cc1ccccc1C(=O)/C(C#N)=C/c1cnn(-c2ccccc2)c1	7910942	RNEBCQXPNMPDAP-GZTJUZNOSA-N	313.360	3.971	50	20	DHGD	
C[C@@H](Oc1ccccc1)C(=O)NNc1ccccc1C(F)(F)F	45481134	FLPOKTFLNOQNKQ-LLVKDONJSA-N	324.302	3.616	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2nc3ccccc3s2)cc1	120478350	LHQVWDHMZVBPFJ-UHFFFAOYSA-N	311.410	3.681	50	20	DHGD	
Cc1cccc(C(=O)NNc2cccc(Br)c2)c1	127210209	XGCWLPWSGAMLJK-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
C[C@H](CBr)CN1CCC(C(=O)c2ccccc2)CC1	133552350	UEWXRVOYSXXTTG-CYBMUJFWSA-N	324.262	3.612	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2SCCc3ccccc32)c1	150786120	ZHVNRKTWWHRGSV-INIZCTEOSA-N	316.401	3.608	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc2ccccc2nc1C	160843800	SCOOYTSZHZIPHA-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)s2)c(C)c1	176401590	CGOLQEBPUMYQLR-MDWZMJQESA-N	307.378	3.782	50	20	DHGD	
Cc1ccc(-n2nc(C(=O)NNc3cccc(C)c3)cc2C)cc1	181879778	GHYZRXCZZQRYNO-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
C[C@@H](c1ccccc1)N(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	188089523	VTPRKKIFJFKTSX-VMOJBDSFSA-N	306.365	3.519	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cc(Br)cs1	206063579	XMTFFZWSZXLPHS-WEVVVXLNSA-N	314.204	3.761	50	20	DHGD	
COc1cccc2cc(/C=C(/C#N)C(=O)NC3CCCCC3)oc12	215521922	LUASURIBHLNOPI-KAMYIIQDSA-N	324.380	3.797	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cccc3c2OCCO3)s1	254955747	URPUSIKSKORUIS-LCYFTJDESA-N	311.362	3.618	50	20	DHGD	
C/C(=C/C(=O)NNc1cc(C)ccn1)c1ccccc1Cl	255587637	IUVBWQIUISUMIJ-BENRWUELSA-N	301.777	3.590	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1nc(C(C)C)c(C)s1	279083949	BSKKMSLDRGICEY-UHFFFAOYSA-N	321.421	3.708	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H]2CCCc3ccccc32)cc1	293802149	BQFSMKYOCMMODR-SFHVURJKSA-N	310.397	3.649	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2ccsc2)cc1	490702336	YRPUHXFDJIQMMQ-DGGAMASNSA-N	312.394	3.541	50	20	DHGD	
CCCCC[C@@H](N/C=C(\C#N)C(=O)OCC)c1ccccc1	728015288	MCUQKUGXBRPHMN-FYPAKXHLSA-N	300.402	3.868	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cnc(-c2ccc(C)cc2)s1	734298165	AVFRIAGXDNGJCM-LBPRGKRZSA-N	301.415	3.615	50	20	DHGD	
CO[C@H]1CCCCC1=NNC(=O)Nc1ccc(C)cc1Cl	741765497	DPIIQQJDWQGESD-AWEZNQCLSA-N	309.797	3.715	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNc1cc(Cl)nc(C)n1	747979410	DTJBVXIGJBOYES-GFCCVEGCSA-N	312.845	3.878	50	20	DHGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1ccc(Cl)cc1Cl	751521371	NFZIQRFKZKBLTC-SNVBAGLBSA-N	315.200	3.526	50	20	DHGD	
CC[C@H](C)CCCCC(=O)NNc1ncnc2ccsc12	752580205	MVVAOTQNMPUGJD-NSHDSACASA-N	306.435	3.741	50	20	DHGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)c1ccoc1	752887329	KBWBPGJVQWFTLG-OQLLNIDSSA-N	317.304	3.652	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H]1[C@H]2CCC[C@H]21	753169876	MPKQRWKUJSZJJD-IMRBUKKESA-N	323.234	3.501	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1oc(C(C)C)nc1C#N	753291600	UOHBCEYGXNTORZ-UHFFFAOYSA-N	306.410	3.719	50	20	DHGD	
CC(C)=C[C@H]1[C@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1(C)C	753303002	RYBMITVVRCAXLZ-DZGCQCFKSA-N	317.820	3.893	50	20	DHGD	
O=C(NN=C(c1ccccc1)c1ccccc1)C1CC(F)(F)C1	753577310	MUHCTKXCSMQSGX-UHFFFAOYSA-N	314.335	3.601	50	20	DHGD	
CCc1ccc(C=NNC(=O)Cc2ccc3ccccc3c2)o1	760241448	DOKICIMWKFRBRG-UHFFFAOYSA-N	306.365	3.688	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(Cl)cs1	760470091	YSQQWFIGMNWNRE-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(F)c1F	767878957	WHCVMSSCRBGIBX-JTQLQIEISA-N	306.150	3.713	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(F)cc1C(F)(F)F	771871906	MLUOQJMKSDCALI-UHFFFAOYSA-N	306.259	3.703	50	20	DHGD	
Cc1cccc(-c2nnc([C@@H](C)OC(=O)/C(C#N)=C/C3CC3)o2)c1	786667613	ABCLJNIFGIXYFV-KMHUVPDISA-N	323.352	3.509	50	20	DHGD	
CSSCCNC(=S)Nc1cccc(Cl)c1C	789324598	ITOUJRBGQNDEIV-UHFFFAOYSA-N	306.909	3.946	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNC(=O)[C@H](CC)c1ccccc1	793481471	JPPRRDKXQADOCD-QAPCUYQASA-N	304.434	3.544	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(O)c1F)C(=O)c1ccccc1F	794937626	HMAGOPVVCZDOFJ-CLFYSBASSA-N	303.239	3.599	50	20	DHGD	
C[C@H](CBr)CNC(C)(C)COCc1ccccc1	799186922	ILRKDJNYKSRTPJ-CYBMUJFWSA-N	314.267	3.602	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@H]1CCCSC1	805292249	LABJYQZVVLDILX-CHWSQXEVSA-N	319.561	3.960	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(Cl)c(OC)c1	830804168	WKDHRHWHFSSEGF-QMMMGPOBSA-N	324.730	3.770	50	20	DHGD	
N#C/C(=C\c1c[nH]c(C(=O)O)c1)c1nc(-c2ccccc2)cs1	833063771	LOKJNCAPPYKUFA-AWNIVKPZSA-N	321.361	3.901	50	20	DHGD	
CC(C)(O)C(C)(C)CNC(=O)CCCC[C@H]1CCSS1	837092404	AQYYRHIAGGWIAU-LBPRGKRZSA-N	319.536	3.614	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)C1SCCCS1	841443516	UBADBWYECWNWGQ-UHFFFAOYSA-N	323.270	3.633	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CC[C@@H]2CCCC[C@@H]21	843938494	GOYZHAIMTMDPBY-SRVKXCTJSA-N	302.256	3.587	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2csnn2)C1	844338114	YBZMGSYIDPLGMH-CYBMUJFWSA-N	313.543	3.524	50	20	DHGD	
Cc1cnc(CN(C)CCO[Si](C)(C)C(C)(C)C)s1	844343356	GVDHSMGLFUTREI-UHFFFAOYSA-N	300.544	3.905	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccc(Br)cc1F	845854252	ABEZKLQVJAFLLS-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)nn1C1CCCCC1	848082745	VMZHBKGHBQVEGV-UHFFFAOYSA-N	318.248	3.572	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2SCCc3sccc32)cc1F	856229783	WREPCWORSQWRDJ-CQSZACIVSA-N	322.430	3.669	50	20	DHGD	
COc1cc2ccccc2cc1C(=O)NNc1ccc(F)cc1	912710022	DMTOKYUYRVTOPE-UHFFFAOYSA-N	310.328	3.744	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1c(C)nc2ccccn12	915940925	LKIYTYXSSJFMLM-LBPRGKRZSA-N	300.406	3.575	50	20	DHGD	
Cc1ncc([C@@H](C)NC(=O)NNc2ccc(Cl)c(C)c2)s1	923622959	UYOOKZPXGUKVCJ-SECBINFHSA-N	324.837	3.801	50	20	DHGD	
Cc1cc(NNC(=O)C(C)(C)c2c(C)noc2C)ccc1Cl	928340198	UANBPKWYTHDGME-UHFFFAOYSA-N	321.808	3.674	50	20	DHGD	
O=C(N[C@H]1CCOC2(CCCC2)C1)c1cccc(CCl)c1	1262614350	FGPINUNMLRNVTJ-HNNXBMFYSA-N	307.821	3.647	50	20	DHGD	
O=C(N[C@H](CF)c1ccc(F)cc1)C1CCC(Cl)CC1	1352587428	YOWOBEFRNINMCD-ORHYLEIMSA-N	301.764	3.750	50	20	DHGD	
CC(C)(C)c1cnc(/C(C#N)=C\c2ccoc2C(=O)O)s1	1603545859	SYQIJMNPFFNUAL-POHAHGRESA-N	302.355	3.796	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)cc(OC)c1	6410752	IGACFPICQUUEJC-OVCLIPMQSA-N	322.364	3.558	50	20	DHGD	
N#CC(C#N)=CNc1cc(Br)c(F)cc1Cl	83022538	BEXLDERYUOTSJL-UHFFFAOYSA-N	300.518	3.585	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2ncccc2Cl)cc1	114883679	ZZOJABYXPGAOJA-NSHDSACASA-N	303.793	3.544	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCc2c[nH]c3ccccc23)c1	126627840	PRIGJICNNKZNEC-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
CCCC(CCC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	132067476	LIJBYZSRMNIQNL-INIZCTEOSA-N	304.434	3.544	50	20	DHGD	
O=C(CC[C@H]1CCCCO1)NNc1c(Cl)cccc1Cl	133516590	JARNCJAFBRZOEA-SNVBAGLBSA-N	317.216	3.786	50	20	DHGD	
CC[C@H](C)OC(=O)/C(C#N)=C/c1cc(C)n([C@@H](C)COC)c1C	150723552	WZXQCFJUJHXKNA-VLVDCKQDSA-N	318.417	3.561	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2cccc(F)c2)CCC1	154680531	NYFBBNXRNQRYFL-UHFFFAOYSA-N	302.324	3.530	50	20	DHGD	
Cc1ccc2c(CC(=O)NNc3ccccc3Cl)c[nH]c2c1	158409187	LIEIXUGTSRRRHY-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
C=CCNS(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186179898	OUONOBFCTHAQTR-UHFFFAOYSA-N	323.308	3.808	50	20	DHGD	
CN(N=Cc1cn(C)nc1C1CCCCC1)C(=O)OC(C)(C)C	495237077	JICFVLVDWZSJDT-UHFFFAOYSA-N	320.437	3.669	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cc2ccccc2nc1Cl	728431513	VXKFIGURIBKWOL-UHFFFAOYSA-N	303.793	3.775	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1cc2ccccc2o1	729935452	ZKSIVCUIBAVTGF-UHFFFAOYSA-N	322.364	3.611	50	20	DHGD	
O=C(C[C@H]1CCc2ccccc2C1)NNc1ccc(F)cc1F	733362269	VAJVEULCNIDLHV-LBPRGKRZSA-N	316.351	3.603	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccccc3[N+](=O)[O-])[nH]c12	735620347	XTHRVUKMVAJUNQ-UKTHLTGXSA-N	304.309	3.844	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1cccc(F)c1Cl	743412868	VGEQZFBBZBBYME-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
CC[C@@H]1CCC[C@@H](NC(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752437345	DLAIXMRBUNZGKY-FJTRLSIBSA-N	300.377	3.818	50	20	DHGD	
COc1ccsc1C(C)=NNC(=O)Nc1ccccc1C	769782258	XDSQMJLIJLPRAQ-UHFFFAOYSA-N	303.387	3.611	50	20	DHGD	
Cc1cscc1NC(=O)NNc1ccc(F)c(F)c1F	770073530	KSJABYXZIMCJGD-UHFFFAOYSA-N	301.293	3.622	50	20	DHGD	
Cc1ncsc1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	776263129	ANFGQRGSJBFJHJ-WDZFZDKYSA-N	320.320	3.843	50	20	DHGD	
Cc1ccc(C[C@@H](C)C(=O)NNc2cccc(Cl)c2)cc1	778565449	UDXSYXHPMBRJBI-CYBMUJFWSA-N	302.805	3.970	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)c1cnc2ccccc2n1	790231286	ODLOMXUHSPZJOO-LFIBNONCSA-N	323.359	3.880	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2ccc(C(C)C)cc2[nH]1	791225478	PNRKEPCZUWEZOR-UHFFFAOYSA-N	308.385	3.752	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(O)c1F)c1cnc2ccccc2n1	794942696	DNMCJOCGCMGDOU-YFHOEESVSA-N	309.275	3.678	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)/C=C\c1cccc(O)c1	794950503	YGDLKQNBDZAJNJ-KHPPLWFESA-N	310.397	3.981	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccccc1C(F)(F)F	797337456	IGWQJVOYULULMT-RAXLEYEMSA-N	310.319	3.919	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H](C)OCc1ccccc1	799755056	SIUVOSGRWBHJCF-HNNXBMFYSA-N	312.413	3.606	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(C)c1Cl	805381106	BSQBPWRROKOOCR-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
N#C/C(=C\c1ccc(OCC2CC2)cc1)c1ccc([N+](=O)[O-])cn1	812244551	DPWHEJCCJWCFSW-OQLLNIDSSA-N	321.336	3.843	50	20	DHGD	
CC(=NNC(=O)Nc1cc(F)cc(F)c1)c1ccc(C)s1	815006345	QDTNDMRIZWOFBK-UHFFFAOYSA-N	309.341	3.880	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NCc1ccc(C2CCCCC2)cc1	817087677	WMDSXHDJZROSLX-NBVRZTHBSA-N	312.413	3.794	50	20	DHGD	
CC[C@@](C)(CNC(=O)CCCC[C@@H]1CCSS1)OC	833800058	QNLOUGOYPAAKAH-OCCSQVGLSA-N	305.509	3.632	50	20	DHGD	
CCCN(CCC)c1ccc(NC(=O)/C(C#N)=C/OCC)cc1	846481069	IFAGFBQCCZIIFO-CCEZHUSRSA-N	315.417	3.695	50	20	DHGD	
Cc1cc(OC(=O)CC[C@@H]2CC2(Cl)Cl)ccc1[N+](=O)[O-]	850766807	UJGIWOQIYJWPIW-SECBINFHSA-N	318.156	3.783	50	20	DHGD	
CC(C)(C)N(CCI)Cc1ccsc1	852310913	BBPGQJNVGGCIAE-UHFFFAOYSA-N	323.243	3.784	50	20	DHGD	
Cc1nc2c(s1)[C@H](NC[C@@]1(C)C[C@@H]1Br)CCC2	857082359	MVXUDKPSZCMZBG-SUZMYJTESA-N	315.280	3.592	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccccc1N(C)C	857083516	XYQQWTPHLNKJRU-TUKIKUTGSA-N	311.267	3.577	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc2ncccc2c1	916140222	GNHSEGGVTKVIFD-XVZSILSWSA-N	319.408	3.837	50	20	DHGD	
C=C(CBr)CN[C@H]1CC2(CCC2)Oc2ccccc21	932215206	VGUMLNNGHYJQJU-AWEZNQCLSA-N	322.246	3.974	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H](C)c2ccc(F)cc2F)c1	1116267513	YXTPFHPKRSMHMI-JTQLQIEISA-N	308.303	3.659	50	20	DHGD	
CC(C)c1oncc1C(=O)NNc1ccccc1C(F)(F)F	1347302963	GXLBEFJIIUWECU-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
CC[C@H](C)n1nccc1C(=O)NNc1ccc(Cl)c(C)c1	1347387974	FLKIDGCQQHQICE-NSHDSACASA-N	306.797	3.573	50	20	DHGD	
CC1(C)CCC[C@@](NC(=O)c2cccc(CCl)c2)(C(=O)O)C1	1604529516	AOJMBYPZWNWCFM-KRWDZBQOSA-N	323.820	3.579	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(C)c([N+](=O)[O-])c1	445987	WMOBUXSCAGXYEP-OQLLNIDSSA-N	321.336	3.757	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)O[C@@H](C)C#N)c(C)n1CCC(C)C	5211683	PMUSDHZSDYBZDV-VEJKBTLKSA-N	313.401	3.513	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2cc(C)c(O)c(C)c2)c1	16409918	AMDQMRRTGJFFEG-OQLLNIDSSA-N	322.364	3.563	50	20	DHGD	
CCn1c(C(=O)NNc2ccc(F)cc2F)cc2ccccc21	113431288	UBEGQSWLXKXWFW-UHFFFAOYSA-N	315.323	3.696	50	20	DHGD	
CC[C@@H](C(=O)NNc1ccc(OC(F)F)cc1)c1ccccc1	122343684	RSJDCAFQEQVVHQ-OAHLLOKOSA-N	320.339	3.925	50	20	DHGD	
C=CCOCCCC(=O)NNc1c(Cl)cc(F)cc1Cl	126344410	XJNLNQALCICKHW-UHFFFAOYSA-N	321.179	3.558	50	20	DHGD	
CCO[C@H](C(=O)Oc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1	140305402	MLGONZICQOTKSQ-INIZCTEOSA-N	315.325	3.586	50	20	DHGD	
CN(Cc1cccc(F)c1)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	176982462	NXUSNDGPNARKMF-RQZCQDPDSA-N	311.316	3.730	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1cccc(Nc2ccccc2)c1	178966207	KFSGVTNQJZKRLY-BUHFOSPRSA-N	307.353	3.813	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(OCc2ccncc2)cc1	193344254	SQAXVSHHRZYZDA-BOPFTXTBSA-N	306.365	3.793	50	20	DHGD	
COc1ccccc1/C(C)=C\C(=O)NNc1ccc(F)cc1C	255613200	CONNLIKKWSNIBH-QXMHVHEDSA-N	314.360	3.689	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C/c2ccc([N+](=O)[O-])c(O)c2)n1	255882712	RNIWHDUFULXCMI-VZUCSPMQSA-N	315.354	3.944	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCc2nccs2)cc1	272871883	WZPYFTXUBLXKSX-UHFFFAOYSA-N	303.431	3.517	50	20	DHGD	
CCc1cnccc1[C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490839152	CIYNFPUDHZTSIT-RKPNYOAGSA-N	323.371	3.567	50	20	DHGD	
N#C/C(=C/c1cnc(-c2ccco2)s1)C(=O)Nc1ccccc1	491045338	DVFYDUJMOZUSAG-XFXZXTDPSA-N	321.361	3.949	50	20	DHGD	
CCCN(N=C1CCCc2ccc(N)cc21)C(=O)OC(C)(C)C	495718318	DVHDQDJROKIEJF-UHFFFAOYSA-N	317.433	3.956	50	20	DHGD	
CCc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCCC[C@H]2C)s1	731155735	RJXWJGNSXQRMHZ-VEJQVVFISA-N	302.443	3.912	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1c(F)cccc1F)c1ccccc1	731930863	PMQIHBRNWYLDBW-AWEZNQCLSA-N	316.351	3.999	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(F)c(F)c(F)c1)c1ccccc1	731931823	QRAIJODLBQKESZ-CYBMUJFWSA-N	320.314	3.748	50	20	DHGD	
CC[C@H](C(=O)NNc1nccc2sccc12)c1ccccc1	734250461	VCVFUVGXMSMPMR-ZDUSSCGKSA-N	311.410	3.933	50	20	DHGD	
O=C(COCc1ccccc1)NN=Cc1ccc2ccccc2c1	737438720	FHTDEVSTUSBNCP-UHFFFAOYSA-N	318.376	3.507	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1scnc1C	741462341	CWHUQENCGRGSAI-UHFFFAOYSA-N	309.394	3.759	50	20	DHGD	
CSc1ccc(C(C)=NNC(=O)CC2CCCC2)cc1F	741761188	HUNJHFMZIUCHCY-UHFFFAOYSA-N	308.422	3.968	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)[C@@H](C)c1ccccc1	746371634	YUWHHJVCGFZZJL-CQSZACIVSA-N	309.413	3.662	50	20	DHGD	
CC[C@H](C)[C@@H](C(=O)NNc1ccc(OC)cc1)c1ccccc1	746886015	FCJHIUQAQGLCLR-KBXCAEBGSA-N	312.413	3.968	50	20	DHGD	
COCc1cccc(COC(=O)/C(C#N)=C\c2ccc(C)cc2)c1	746977357	PEYHMDOHRXUFDQ-ODLFYWEKSA-N	321.376	3.792	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2ccccc2Br)c1	748059423	YXUSJQZUWQYYCO-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)COc2cccc(C(C)C)c2)c1	748418853	RHJYGUPQUVCCKQ-UHFFFAOYSA-N	312.413	3.949	50	20	DHGD	
O=C(NN=C1CCCC[C@@H]1N1CCCCCC1)c1ccccc1	749806902	IECGBBVFZLTGCI-SFHVURJKSA-N	313.445	3.591	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)[C@@H](C)C2CCCC2)c(Cl)c1	750305270	BSSMVNCTKXTQDU-NSHDSACASA-N	323.824	3.627	50	20	DHGD	
C=CCSCCNC(=O)NNc1cc(Cl)ccc1Cl	752911579	LDDWVESCUFTUCQ-UHFFFAOYSA-N	320.245	3.539	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2cc(Cl)ccc2Cl)cc1	753696245	CPQAAAVFCRERBP-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
C#C[C@H](OC(=O)/C(C#N)=C/c1cc(C)n(CCCC)c1C)C1CC1	767519621	DNZSBYLRDQIAGV-GQEMFKIVSA-N	324.424	3.767	50	20	DHGD	
C#CCN(C(=O)[C@@H](Br)C(C)(C)C)C1CCCCC1	767883255	IUGQHSPXAKHDSK-CYBMUJFWSA-N	314.267	3.591	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)NC[C@@H]1CCc2ccccc21	768079082	QAMOEIMTJXNOHA-JSGCOSHPSA-N	324.262	3.642	50	20	DHGD	
CCCOc1ccc2[nH]cc(C=NNC(=O)C3CCCC3)c2c1	768360227	LJZKLOFIXSTVAU-UHFFFAOYSA-N	313.401	3.597	50	20	DHGD	
CCC[C@H](C=NNC(=O)CNc1ccccc1)c1ccccc1	769567014	LAFJQIKULYNLNS-QGZVFWFLSA-N	309.413	3.784	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)Nc1ccc2c(c1)CCC2	769926736	RNKMLVZHACWELC-UHFFFAOYSA-N	321.302	3.741	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NC1CC(c2ccccc2)C1	771317898	XRBMVTDFLILGNK-UHFFFAOYSA-N	313.376	3.706	50	20	DHGD	
CCCc1cnc(NC(=O)NNc2cccc(Cl)c2)s1	775718951	NZOLOMZKUXEVCM-UHFFFAOYSA-N	310.810	3.898	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C1=CCCCC1	783686079	PJBHZDOYGTWFEP-UHFFFAOYSA-N	309.207	3.701	50	20	DHGD	
CC1(C)CCC(=NNC(=O)c2cccc(Br)c2)C1	783848324	DMSDZGFXSDYCCU-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCCCc2ccccc21	787317108	NNWLNZPYGDSHIN-LGMDPLHJSA-N	318.376	3.669	50	20	DHGD	
O=C(NN=Cc1cnc(-c2ccc(Cl)cc2)s1)C1CCC1	789017479	HIJWDQWPAPKCKI-UHFFFAOYSA-N	319.817	3.714	50	20	DHGD	
CCCOc1ccc(CCC(=O)NCCSSC)cc1	791100669	TYDRWSASLOXCNV-UHFFFAOYSA-N	313.488	3.535	50	20	DHGD	
CCc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1	798142674	ONTOPMSVACHCNZ-UHFFFAOYSA-N	318.808	3.573	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CCC[C@H]1CCCF	800807659	AFYUJDKUKLDWNV-ZDUSSCGKSA-N	315.392	3.732	50	20	DHGD	
C[C@@H](Cc1cncc2ccccc12)C(=O)NNc1ccccc1	806372221	FEGSFEFXBPVWRK-AWEZNQCLSA-N	305.381	3.557	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=CCCC2CC2)c1	807946609	OIUBPMPGJXQBMA-UHFFFAOYSA-N	302.418	3.789	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)c1nc2ccccc2n1C	812239701	BBXFRVBYNRQNDC-LCYFTJDESA-N	307.328	3.785	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2cccc(Cl)n2)cc1	817009580	RAGAIHFIDCXILH-UHFFFAOYSA-N	321.833	3.533	50	20	DHGD	
CCOc1ccc(NNC(=O)c2oc3ccccc3c2C)cc1	817925318	BLKVSHLDDZCMCR-UHFFFAOYSA-N	310.353	3.897	50	20	DHGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1ncccc1C(F)(F)F	825985147	ZXSHTPMQOSNEDF-MNOVXSKESA-N	315.339	3.760	50	20	DHGD	
CCC[C@@H]1CCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967937	DYTNHGPLPIJGQG-PWSUYJOCSA-N	315.339	3.760	50	20	DHGD	
Cc1ccc(NNC(=O)Nc2cc(C(C)C)on2)c(Cl)c1	836433523	NOUPYNJRQDWPRF-UHFFFAOYSA-N	308.769	3.908	50	20	DHGD	
CO[C@H](C(C)=NNC(=O)c1cc(C)cs1)c1ccccc1	863155361	HJCOKOGNBWOPJE-OAHLLOKOSA-N	302.399	3.550	50	20	DHGD	
Cc1ccc(NC(=O)NCC(Cl)Cl)cc1N1CCCC1	881000363	QKMGICNAGRRDHR-UHFFFAOYSA-N	316.232	3.520	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1OCC(C)C	915989698	CJYNLYLDEKTGSJ-OVCLIPMQSA-N	301.386	3.862	50	20	DHGD	
C=C(Cl)COc1ccc(C(C)=NNC(=O)C2CCCC2)cc1	917548057	JOTCOVWGSCELKQ-UHFFFAOYSA-N	320.820	3.848	50	20	DHGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)c1cccc(O)c1	935022651	JTEDJHNVLBJBSF-ZDUSSCGKSA-N	310.397	3.518	50	20	DHGD	
COC(=O)c1cccc(/C=C(/C#N)C(=O)c2sccc2C)c1	1116270993	XXKPGILJUXEFPT-ZROIWOOFSA-N	311.362	3.633	50	20	DHGD	
O=C(CCl)Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1	1116439015	CAQGFCQTAJNZQL-UHFFFAOYSA-N	303.724	3.546	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC)cc1)c1ccc(Cl)s1	1318450486	ZQXTUHGDBRWBBY-UHFFFAOYSA-N	322.817	3.954	50	20	DHGD	
COc1ccc(C(=O)NN=C2CC[C@](C)(c3ccccc3)C2)cc1	1343143204	MVEFPEZXHSFOHV-FQEVSTJZSA-N	322.408	3.923	50	20	DHGD	
N#C/C(=C\c1ccc(/C=C/C(=O)O)o1)c1nc(C2CC2)cs1	1777566127	QAFQTTXHWPABGR-LCAICKDSSA-N	312.350	3.775	50	20	DHGD	
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)NCc1ccccc1	6828330	BTGKOBNWTFROIW-LDADJPATSA-N	320.392	3.697	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)NCc2ccccc2)c(C)n1C1CC1	40161130	JGWVZLUMCOAQKO-WQRHYEAKSA-N	319.408	3.663	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@H]1C[C@H]1c1cccc(F)c1F	120132757	POTSAVWVZWXVTN-STQMWFEESA-N	322.742	3.865	50	20	DHGD	
O=C(NNc1ccc(F)cc1)N[C@@H](C1CCCC1)C(F)(F)F	127827195	VHPYTFJVTXJIKT-LBPRGKRZSA-N	319.302	3.573	50	20	DHGD	
O=C(Cc1cccc(C(F)(F)F)c1)NNc1ccccc1F	153220855	JEBQFICAPWNOHB-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
CCN(c1ccc(C(=O)NNc2cccc(F)c2)cc1)C(C)C	154390217	OJPDAMKBRNRYON-UHFFFAOYSA-N	315.392	3.817	50	20	DHGD	
I[C@H]1CCC[C@H]1OCC1CCCCC1	158383749	RCIDPCYIIZBOJP-NWDGAFQWSA-N	308.203	3.939	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(F)c(C(F)(F)F)c1	179174667	GCTYRYKARIRGKI-XFFZJAGNSA-N	314.282	3.668	50	20	DHGD	
C[C@H](CC(=O)NNc1ccncc1)c1ccc(C(F)(F)F)cc1	180465540	JJIFBEOPPBCQFC-LLVKDONJSA-N	323.318	3.737	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2ccccc2C)cc1	213719629	IOFNGIGTPVVIEG-BOPFTXTBSA-N	307.349	3.654	50	20	DHGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)c1cccc(Cl)c1	252462249	QZUFOZXFPHBTED-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
Cn1cccc1/C=C(/C#N)C(=O)Nc1c(Cl)cccc1Cl	255603744	XXPDETBUZMHNCA-NTMALXAHSA-N	320.179	3.878	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1Cl	588514877	NDNGROIUTRLORC-MDWZMJQESA-N	312.756	3.900	50	20	DHGD	
CCCCOc1ccc(/C=C(/C#N)S(=O)(=O)CCCC)cc1	588588757	MPCGCBDPBUESQM-LGMDPLHJSA-N	321.442	3.945	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2ccc3ccccc3n2)c(C)c1	725440210	MPYMIRNLVFGHFW-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
Cc1ccc(F)c(C=NNC(=O)c2cc(C)nc3ccccc23)c1	734977542	XPIHDJXRMGZWIF-UHFFFAOYSA-N	321.355	3.755	50	20	DHGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNc2c(F)cccc2F)C1	735760215	SGWAXQGZEXMQSE-VXGBXAGGSA-N	311.376	3.806	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2ccc(C(F)(F)F)cc2)o1	747588660	PGYOSNPWHDGSJS-JTQLQIEISA-N	312.291	3.854	50	20	DHGD	
COc1ccc(C)cc1C=NNC(=O)c1ccc(Cl)cc1F	747645299	BTQXXQPIKDPKNP-UHFFFAOYSA-N	320.751	3.560	50	20	DHGD	
C[C@@H](C(=O)NNc1ccccc1Br)C1CCCC1	748070397	NVBXXCJWUDGIRH-SNVBAGLBSA-N	311.223	3.719	50	20	DHGD	
Cc1cc(C(=O)NNc2nccc3sccc23)c(F)cc1F	748850095	MMWGOOCCEYVFEJ-UHFFFAOYSA-N	319.336	3.640	50	20	DHGD	
CC[C@H](C)C=NNC(=O)c1ccc(COc2ccccc2)o1	755582363	WWMTVWWDNBHQAB-ZDUSSCGKSA-N	300.358	3.620	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2cccc(C(F)(F)F)c2)C1	759195837	IUNKOEKEACRATQ-WDEREUQCSA-N	300.324	3.975	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1CCCCN1C1CCCC1	764114345	FQUVLDGDFSUFHP-MRXNPFEDSA-N	321.852	3.580	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCCC(C)(C)C2)cc1OC	767758408	ANMPQNYJIUOWLV-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@@H]1CC[C@H]2CCC[C@H]2C1	768192226	RBKZPXFCGJBCDQ-YVECIDJPSA-N	316.283	3.881	50	20	DHGD	
Cn1c(C(=O)NNc2c(F)cccc2Cl)cc2ccccc21	770197339	MBACXZPQNYCZNP-UHFFFAOYSA-N	317.751	3.728	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(Cl)c(F)c1	775782072	RVBYSJDGSDSKPQ-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
CCCC(=NNC(=O)COc1ccccc1F)c1ccsc1	785449905	RKWAVXXAPKNMNQ-UHFFFAOYSA-N	320.389	3.587	50	20	DHGD	
CCCCC[C@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	787442713	MTAOKDMRABUWQJ-NOCRFKNCSA-N	312.413	3.870	50	20	DHGD	
CC(C)(C(=O)NNc1ccccc1)c1ccc(Cl)cc1F	789816757	FZOXIKXHXODPOY-UHFFFAOYSA-N	306.768	3.900	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ncsc1C(F)(F)F	792259863	VBIRDHJPWDNGTF-UHFFFAOYSA-N	321.711	3.572	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H](F)CC1CCCCC1	793713249	LUZZIWUFTWQIQJ-ZDUSSCGKSA-N	318.314	3.856	50	20	DHGD	
CSSCCNC(=O)Nc1c(C)cccc1SC	794299973	YPBCUCXNSLHZPJ-UHFFFAOYSA-N	302.490	3.850	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C[C@@H]3CCCSC3)cc2C1	794880305	DBOUFVMXSNOHOZ-RYUDHWBXSA-N	322.499	3.732	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1cnn(-c2ccccc2)c1	797402581	HMFWIAKQYRSRAY-GJZGRUSLSA-N	324.428	3.804	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCC23CCC3)c1C	799871084	LIWDMBOHDVVOPH-CQSZACIVSA-N	300.402	3.507	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2cccc(OC)c2F)c1	799890191	BVKVGFHAUVPCRQ-ZROIWOOFSA-N	311.312	3.633	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1ccc(F)c(C(=O)OC)c1)C(C)C	857282224	RIDCSIHKKAFPGY-CYBMUJFWSA-N	324.396	3.518	50	20	DHGD	
CC(C)[C@H](F)C(=O)NNc1ccc(OCc2ccccc2)cc1	862517202	IFAGIYCHRHQWDA-KRWDZBQOSA-N	316.376	3.703	50	20	DHGD	
CCC(O)(CC)CN(C)C(=O)CCCC[C@@H]1CCSS1	863621446	KCOJXIGUUFDLKZ-CYBMUJFWSA-N	319.536	3.710	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2cc(Cl)ccc2F)c1C	871272274	PDUSUHLUCTYFJK-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)[C@H](C)C2CC2)c1C	875158171	VRKUMIHUWHJGQP-JVVDOCDTSA-N	313.445	3.679	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1)[C@@H]1CCC[C@H](C(F)(F)F)C1	885110477	FDKACDBMBJYUTD-BDAKNGLRSA-N	322.277	3.777	50	20	DHGD	
CC(C)(C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1)C(F)F	912583137	UVAKQMJFQDCQAH-NSHDSACASA-N	321.484	3.900	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)C(C)(C)C)cc1OCC	915966756	QIIHXHCUVSFHLQ-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
O=C(NN=C1C[C@H]2C[C@H]1[C@H]1CCC[C@@H]12)c1cccc(Cl)c1	916278261	LBLRDUXKKYQQQL-RZFFKMDDSA-N	302.805	3.882	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)CN1CCCCCC1)C1CCCCC1	916367016	PXVUXIYSQJNXBL-HNNXBMFYSA-N	307.482	3.571	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCc1nccs1	917953364	JYRQIMAWAHAKFM-JTQLQIEISA-N	303.474	3.900	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2c(C)oc3ccccc23)cc1	1320229027	GGNHYPGDHFGEKF-UHFFFAOYSA-N	308.337	3.514	50	20	DHGD	
COC(=O)c1ccc(/C=C(/C#N)C(=O)c2ccccc2C)cc1	1324990211	DIOGPHIHTSUKQL-WJDWOHSUSA-N	305.333	3.572	50	20	DHGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3ccn(C)n3)o2)c1	1326697906	RCDGENKDQRTLKU-UHFFFAOYSA-N	324.384	3.560	50	20	DHGD	
O=C(NCc1ccc2c(n1)CCCC2)c1cccc(CCl)c1	1338962580	DHAUGWABUUHWEJ-UHFFFAOYSA-N	314.816	3.629	50	20	DHGD	
CC(=O)Nc1ccc(F)c(NC(=O)C2CCC(Cl)CC2)c1	1548622302	MYWUJOZPDQNVOP-UHFFFAOYSA-N	312.772	3.520	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045314	STHORSULYPHEQS-NEPJUHHUSA-N	317.389	3.709	50	20	DHGD	
O=C(Cc1c(F)cccc1Cl)NNc1cccc(Cl)c1	67848797	HUQUYYXSOOGHBN-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
N#C/C(=C/c1csc2ccccc12)C(=O)NCc1ccco1	98054171	ZXBYCUGXKOYBQU-WQLSENKSSA-N	308.362	3.718	50	20	DHGD	
CSc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)o1	112392952	OUBHOTFMYFULTM-UHFFFAOYSA-N	316.304	3.777	50	20	DHGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1ccccc1	112724421	VINNQLCMWIYHCC-UHFFFAOYSA-N	304.777	3.641	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc(Cl)s1	122998490	QPBMBGTWKCFNAM-UHFFFAOYSA-N	318.732	3.760	50	20	DHGD	
C[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)CCS1	171577996	QVMUMYIHGMXRJH-NEPJUHHUSA-N	305.534	3.664	50	20	DHGD	
CC1(C)CCC[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)C1	178992934	WRYOXYFSYKCDAT-JTQLQIEISA-N	315.339	3.760	50	20	DHGD	
C[C@@H]1CCC[C@@H](OCCCCCC(=O)NNc2ccncc2)C1	180445418	ZCZROJVFMCVSDQ-NVXWUHKLSA-N	319.449	3.680	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1F)C(=O)Nc1ccc(F)cc1	211406224	JJANLZUPCYUSGJ-XFFZJAGNSA-N	302.255	3.650	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2cccnc2)c1C	254929985	WZBDGTJLEOZQGB-BOPFTXTBSA-N	322.412	3.846	50	20	DHGD	
C=CCC(C)(C)C(=O)NNc1ccccc1OC(F)(F)F	294727705	XMGLAMCULODVNA-UHFFFAOYSA-N	302.296	3.631	50	20	DHGD	
N#C/C(=C\c1ccc(C(F)F)cc1)C(=O)Nc1nccs1	490701996	YDXKTQCKHNBEPU-YRNVUSSQSA-N	305.309	3.626	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(O[C@@H](C)C#N)cc1	728700794	XEHZTPRTOVYELB-DGGAMASNSA-N	306.321	3.669	50	20	DHGD	
CCC[C@@H](NC(=O)NNc1ccccc1Cl)c1ccccn1	729613392	QWHHSKORPSXDDC-OAHLLOKOSA-N	318.808	3.903	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)cc1F	732716767	YPWMRKHCHZIEIT-GDNBJRDFSA-N	300.377	3.832	50	20	DHGD	
CCOc1ccc(O[C@@H](C)C(=O)NN=C(C)C2CCCC2)cc1	733076234	HGHMEYXPRJNCEU-AWEZNQCLSA-N	318.417	3.535	50	20	DHGD	
CCC(=NNC(=O)Cc1ccc(F)cc1)c1cc(F)ccc1F	743428766	KULDIZIGDNYBIN-UHFFFAOYSA-N	320.314	3.577	50	20	DHGD	
CC[C@@H](OC1CCCC1)C(=O)NNc1c(C)cc(C)cc1C	743762159	LCENVAWMGVPACK-MRXNPFEDSA-N	304.434	3.793	50	20	DHGD	
Cc1ccc(CCCCC(=O)NNc2ccccc2F)cc1	748049349	SPQSKPMOKZUVJR-UHFFFAOYSA-N	300.377	3.990	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2ccc3ccccc3c2)s1	748784986	FFLZOXGUGWQKGY-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1Cl)C(=O)Nc1nccs1	753683897	YFTUZDUVIUQQDV-UITAMQMPSA-N	324.192	3.996	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1cccnc1Cl	754477727	FTLVXXSFWVYMJI-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
O=C(CC1CC1)NNC(=O)Nc1ccc2oc3ccccc3c2c1	755367750	SJASYGZCQMGGTQ-UHFFFAOYSA-N	323.352	3.539	50	20	DHGD	
COc1ccc(NNC(=O)c2ccccc2SC(C)C)cc1	758025078	JOEBZKJKRLANQI-UHFFFAOYSA-N	316.426	3.953	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C2CC(C(F)F)C2)c1	766010371	SASRUKQKYLHTON-UHFFFAOYSA-N	324.371	3.645	50	20	DHGD	
CN(NC(=O)[C@H]1CCc2c(Cl)cccc21)c1ccccc1	776222562	IJJREHAMDAFNSL-HNNXBMFYSA-N	300.789	3.537	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2cc(F)ccc2C)cc1	777871741	MDRFHIJSEWWKBN-MFOYZWKCSA-N	308.356	3.666	50	20	DHGD	
Cc1csc(NC(=O)NNc2ccc(C(C)(C)C)cc2)n1	780024180	QUIFDMMCNUWOGA-UHFFFAOYSA-N	304.419	3.898	50	20	DHGD	
CC(=O)c1cccc(NC(=O)[C@H](Br)C(C)(C)C)c1	781066443	FFIIIHWZLIFLEB-LBPRGKRZSA-N	312.207	3.637	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1ccc2ncccc2c1	781075603	USDRKJYNZDAXQN-CYBMUJFWSA-N	321.218	3.983	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC(c3cccc(F)c3)C2)c(O)c1	781589138	DMWUIZIFPCSGHF-UHFFFAOYSA-N	312.344	3.503	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)[C@@H]2CCCC[C@@H]12	786942330	PHIKOLIHSHLKEM-RAFSSTIISA-N	324.424	3.726	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H](F)CC1CCCCC1	793706974	QFBWXBHGNAYIOU-ZDUSSCGKSA-N	300.324	3.716	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc3occc3c2)c1	794687017	DVUUMYHZMVQWMR-XNTDXEJSSA-N	318.332	3.987	50	20	DHGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)[C@@H]1CCCOC1	794883046	JIRJDTWWFZHWQS-HMXLAXJASA-N	316.209	3.958	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)c1ccc2ncccc2c1	794886113	ZTJATWSAOGUIDJ-NVNXTCNLSA-N	303.296	3.559	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(C)c1Cl	795565741	GSYLQGFDHABTAI-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
CCc1csc(NC(=O)NNc2c(C)cccc2CC)n1	799402851	BWCIYKMAEFXWFK-UHFFFAOYSA-N	304.419	3.725	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1ccc(F)cc1Br	802825305	NCNMUXPVWVPNET-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)[C@@H]1CCC[C@@H]2CCCC[C@@H]21	806857782	WJARHOSUMNJPLL-SOUVJXGZSA-N	324.428	3.679	50	20	DHGD	
CSSCCNC(=O)N(Cc1ccc(C)s1)C(C)C	807228325	BHMTUXBBCXWIEJ-UHFFFAOYSA-N	318.533	3.988	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc2[nH]ccc2c1)c1ccccc1	811642206	ITWUMUDSOLCFPZ-KRWDZBQOSA-N	305.381	3.812	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@@H](C)N1[C@@H](C)CC[C@H]1C	812766463	HRYPWFWSBWUBDV-OWCLPIDISA-N	317.477	3.823	50	20	DHGD	
COC[C@H](C)[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	813051369	MDQOVZOKXKVNOA-NWDGAFQWSA-N	317.341	3.572	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C3CCC[C@H](C#N)C3)cc2C1	814759525	GAVNGJGFAGSLSG-RYUDHWBXSA-N	315.442	3.672	50	20	DHGD	
Cc1cc(C(=O)NNc2ncnc(Cl)c2C(C)C)c(C)s1	816486950	YMWFMRCSJSLEIF-UHFFFAOYSA-N	324.837	3.689	50	20	DHGD	
CSSCCNC(=O)NCc1cc(C2CC2)ccc1F	836447544	DVFVNDSLPXJXAA-UHFFFAOYSA-N	314.451	3.514	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@]1(C)CC1(Cl)Cl	838158983	SBRFNHAFPUELQF-IONNQARKSA-N	318.038	3.535	50	20	DHGD	
CCOc1ccc(C(=O)NN=C(CC)[C@H]2CC2(C)C)cc1OC	841613233	XRQMFGFQPTXUJB-CYBMUJFWSA-N	318.417	3.636	50	20	DHGD	
CC(C)c1ccc(CC=NNC(=O)OCC(F)(F)F)cc1	853429503	LRKJYUVUSPSYDY-UHFFFAOYSA-N	302.296	3.627	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(c2ncccc2[N+](=O)[O-])C1	853897975	XNJSLNVMPRAWIG-LBPRGKRZSA-N	323.469	3.590	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C1(c2cccc(F)c2)CCC1	855365988	YSRDJECNDCABHU-UHFFFAOYSA-N	316.351	3.838	50	20	DHGD	
CCCc1ccc(/C=C(\C#N)C(=O)NCc2ccco2)s1	856719878	BESHKNPKJZAYOW-FMIVXFBMSA-N	300.383	3.517	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCc3ccc(O)cc32)C[C@H]1Br	857083120	TYXDCPSMQAINFX-RBSFLKMASA-N	310.235	3.533	50	20	DHGD	
O=C(NNc1ccccc1)C1(c2cc(F)cc(F)c2)CCCC1	860312934	YJJTVKFMSOGVCR-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
CCCOc1cccc(C=NNC(=O)c2cccc(Cl)c2)c1	917539114	VAASYSDVCVRVLH-UHFFFAOYSA-N	316.788	3.893	50	20	DHGD	
O=C(NNc1ccccc1)NC1(C(F)(F)F)CCCCC1	933431105	YUOKJVYFAFDJFR-UHFFFAOYSA-N	301.312	3.578	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Cc1c[nH]c2cnccc12	1117762945	YZDUSDWPMDVIQG-UHFFFAOYSA-N	322.412	3.681	50	20	DHGD	
CC(C)[C@@H](C#N)C=NNC(=O)c1cc2c(s1)CCCCC2	1253448500	FEJOXPNDKYINGJ-ZDUSSCGKSA-N	303.431	3.528	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3ncccc3C)c(Cl)c2c1	1255699256	KVKXXYVUENEDGA-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
CC(C)(C)C(=O)/C(C#N)=C\c1cc([N+](=O)[O-])ccc1OC(F)F	64925518	DSQQWOOLAYCSGG-POHAHGRESA-N	324.283	3.718	50	20	DHGD	
Cc1ncc(CNC(=O)CCCC[C@@H]2CCSS2)s1	97725926	MNKAEBRGFHZELW-LLVKDONJSA-N	316.517	3.782	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2	120380903	VJQLNNKETFTMJK-UHFFFAOYSA-N	304.821	4.000	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(OCC(F)F)cc1	132574525	XOHHCDVFCWVRFD-UVTDQMKNSA-N	322.355	3.544	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1ccc(F)nc1	135014086	LOBVXXBSSQEYBE-NSHDSACASA-N	300.424	3.873	50	20	DHGD	
O=C(NNc1ncccc1Cl)C1(Cc2ccccc2)CCC1	136889642	NTOXDSDADHIOJS-UHFFFAOYSA-N	315.804	3.591	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)cc1	158734540	RUEJDRDUHLWECX-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2sccc2OC(F)F)c1	158922590	JLEZHZPPJLZXCI-UHFFFAOYSA-N	312.341	3.723	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)C(C)(C)c2ccc(F)cc2)c1	159035027	RUWHOQANXGWDFW-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cccs2)cc1	188604549	IXHHZPVRTAJVDD-XTCQQWIJSA-N	312.394	3.541	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2c[nH]c3ccccc23)cc1	207893866	SCDWZYALKZZCIW-UVTDQMKNSA-N	302.333	3.966	50	20	DHGD	
CCCN(Cc1ccc(C)cc1)S(=O)(=O)CCCCCl	228325151	SVGLXGLKDUWKLQ-UHFFFAOYSA-N	317.882	3.556	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)s2)cc1	255376470	UMKGFRFCUUMIGW-JYRVWZFOSA-N	316.813	3.933	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(C(C)(C)C)s2)cc1	268860672	QSQODFKMQXYPHN-UHFFFAOYSA-N	304.415	3.811	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1ccc([N+](=O)[O-])c(OC)c1	271438750	RICUIUDTDZECIB-LFTLCWSBSA-N	302.330	3.516	50	20	DHGD	
CSSCCNC(=O)Nc1cccc(OC(C)C)c1	297403726	ZXUGJQDRQFAOJM-UHFFFAOYSA-N	300.449	3.607	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnc(Cl)c(C)c2)c1	490726024	MPDSBQQBVFSIRF-ZSOIEALJSA-N	311.772	3.898	50	20	DHGD	
CC[C@@H](C)C(C)=NNC(=O)Cc1nc(-c2ccccc2)cs1	730568172	FTAGAYUHXSCUNL-GFCCVEGCSA-N	315.442	3.891	50	20	DHGD	
O=C(NN=CC1CCCCC1)Nc1ccc(OC(F)F)cc1	741772058	ZRBSXFPJWHHQJU-UHFFFAOYSA-N	311.332	3.976	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1)c1cc(C)sc1C	749745004	NQVUTTIVUMFNIW-UHFFFAOYSA-N	300.427	3.838	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3cccnc3Cl)CCC2)c1	754480104	KVBQQLHANADCMV-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
Cc1oc2ccccc2c1C=NNC(=O)CCc1ccccc1O	758120223	LJVZCYOVAHNKMB-UHFFFAOYSA-N	322.364	3.530	50	20	DHGD	
COc1ccc(-c2nc(/C=C(\C#N)c3ccncn3)cs2)cc1	758915669	MOAWUTUWJZHPRG-MDWZMJQESA-N	320.377	3.673	50	20	DHGD	
Cc1cc(Br)ccc1/C=C(/C#N)c1ccncn1	758916554	RGMYIPARPVIGLK-GHXNOFRVSA-N	300.159	3.612	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	759093983	JOZPEDHCXNPGRK-UHFFFAOYSA-N	323.318	3.789	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)CSc2cc(C)ccc2C)c1	760140633	JGQVPRHZKXDZBA-UHFFFAOYSA-N	318.417	3.986	50	20	DHGD	
CCc1ccc(C=NNC(=O)Cc2cccc3ccccc23)o1	760239535	MEXQSOURWKHCBX-UHFFFAOYSA-N	306.365	3.688	50	20	DHGD	
CC1(C)CCCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C1	767790552	CJIZBIUSHVYQLL-UHFFFAOYSA-N	316.430	3.824	50	20	DHGD	
CCC(C)(CC)C(=O)NNc1nc(-c2ccc(Cl)cc2)no1	768115828	UDCDOERGIAAZJB-UHFFFAOYSA-N	322.796	3.659	50	20	DHGD	
CC(C)CSCCCNC(=O)[C@@H](Br)C(C)(C)C	768327189	OMMLIFMNZPSVGJ-LLVKDONJSA-N	324.328	3.692	50	20	DHGD	
CCCOc1cc(F)ccc1NC(=O)NNc1ccc(F)cc1	770065359	FBQUKVZONCFGQB-UHFFFAOYSA-N	321.327	3.902	50	20	DHGD	
CCCC(=CC(=O)NNC(=O)CCCc1ccccc1)CCC	770724413	IUUWWGFYFYVYKA-UHFFFAOYSA-N	316.445	3.683	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H](C)OC1CCCCCC1	771707260	MTFGRHTXYIUOPD-ZDUSSCGKSA-N	308.397	3.705	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1ccc(F)c(F)c1	775389981	VEJSOBGLMJKADR-UHFFFAOYSA-N	317.217	3.531	50	20	DHGD	
CC(C)[C@]1(C)C[C@H]1C(=O)NNc1ccc(C(F)(F)F)cc1	775884555	LIPNBLWBEDXGRF-JSGCOSHPSA-N	300.324	3.831	50	20	DHGD	
CCCC(CC)=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	776187532	IKCBZCDPBGJUPV-UHFFFAOYSA-N	302.353	3.512	50	20	DHGD	
CC(C)Cc1ccc(CCCC(=O)NNc2ccccn2)cc1	777472792	XCUALWMMLMDYKU-UHFFFAOYSA-N	311.429	3.746	50	20	DHGD	
Cc1cccc(CCCOC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	778128687	APRIOZRVRHTKRG-AQTBWJFISA-N	321.376	3.784	50	20	DHGD	
CCc1ccccc1COC(=O)/C(C#N)=C/c1cccc(OC)c1	782241833	OCYOKTYELDTDJH-WOJGMQOQSA-N	321.376	3.908	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2ccc(F)cc2)c(C)c1	785169755	PKYAMLOLPJKPNN-LICLKQGHSA-N	308.356	3.666	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@H](C)C1CCCCC1	788189168	FPZNWZUZMXVOHY-LBPRGKRZSA-N	308.397	3.884	50	20	DHGD	
C[C@@H](NC(=O)NNc1cc(Cl)cc(Cl)c1)c1ccc[nH]1	790440542	YEGRQZSPJOFFMC-MRVPVSSYSA-N	313.188	3.709	50	20	DHGD	
C=C(CBr)CN(CCC)Cc1ccccc1F	791452560	MFONCUPQGCDMDJ-UHFFFAOYSA-N	300.215	3.989	50	20	DHGD	
N#C/C(=C\c1csc(Cl)c1Cl)C(=O)[C@@H]1CCCOC1	794883048	JIRJDTWWFZHWQS-SXPLAPADSA-N	316.209	3.958	50	20	DHGD	
Cc1cccc(C(=O)NNc2ncnc(Cl)c2C(C)C)c1C	798142005	JRIVOTPDNDVNGJ-UHFFFAOYSA-N	318.808	3.627	50	20	DHGD	
Cc1cc(C)nc(C(=O)NNc2cc(Cl)ccc2Cl)c1	801175636	DYAMJLXLUIOZAF-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
Cc1cc(=O)oc2cc(N(C)C[C@H](C)CBr)ccc12	805770166	GSMZMRKDYKUQSO-SNVBAGLBSA-N	324.218	3.569	50	20	DHGD	
C/C(=C\c1cccc(Cl)c1)C(=O)NNc1ccc(Cl)nc1	810460832	FEGZYJHDQHQQTF-JXMROGBWSA-N	322.195	3.935	50	20	DHGD	
O=C(NN=C1CCCc2cccnc21)Nc1ccc(Cl)cc1	815005017	QCTUTMVIEXIRCJ-UHFFFAOYSA-N	314.776	3.597	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1c(Cl)cncc1Cl	816164417	WNWKEQMQAAETGV-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1cccc(Cl)n1	817009527	OITXRDTUOPLJHD-CYBMUJFWSA-N	317.820	3.837	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCOc2ccccc2C)c1	821895659	WZLQFFQPDNQTPT-UHFFFAOYSA-N	312.413	3.914	50	20	DHGD	
CSCC1CCC(=NNC(=O)c2c[nH]c3ccccc23)CC1	834919087	FSHVTAYYOMRKBW-UHFFFAOYSA-N	315.442	3.807	50	20	DHGD	
Cc1csc([C@@H](C)NC(=O)NNc2c(C)cccc2Cl)n1	838227528	FVPSJUMHRRILRY-SNVBAGLBSA-N	324.837	3.801	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC(C)(C)CC#N	838753796	QRTKDESVAYAVIQ-UHFFFAOYSA-N	302.422	3.684	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)C1CCC(C(F)(F)F)CC1	855369360	MIZBMXNILRBLTG-UHFFFAOYSA-N	318.314	3.946	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc3c2OC(C)(C)C3)cc1F	856233656	WBZBISVRGJVFOK-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
C[C@@]1(CNCc2cccc(OC(F)F)c2)C[C@@H]1Br	856806953	JJTUDIFUVRCUBK-AAEUAGOBSA-N	320.177	3.551	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)cc1)c1cccc(C(F)(F)F)c1	916265324	IKIPUIZYGMOUEP-UHFFFAOYSA-N	322.286	3.565	50	20	DHGD	
Cc1cc(/C=C(\C#N)S(C)(=O)=O)c(C)n1C1CCCCC1	917041612	VQFGKYFUVGFBSF-MHWRWJLKSA-N	306.431	3.519	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(CC)CC2)cc1	918659093	SWDHSERKHCNMIE-LGMDPLHJSA-N	312.413	3.641	50	20	DHGD	
CCN(C)c1ccc(/C=C(\C#N)C(=O)c2ccccc2C)cn1	1326241210	DMHZMMIFRNBFGY-LFIBNONCSA-N	305.381	3.636	50	20	DHGD	
C[C@@]1(CNC(=O)c2cccc(CCl)c2)CCOC2(CCC2)C1	1336054159	SAIOFTRINOJJMU-QGZVFWFLSA-N	321.848	3.895	50	20	DHGD	
O=C(NCC(F)(F)c1ccccc1)C1CCC(Cl)CC1	1346879632	UWGKUBYPAULKKJ-UHFFFAOYSA-N	301.764	3.692	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)/C=C/c2nccs2)cc1	1519725305	HFRAWIBYBWRXSR-CMDGGOBGSA-N	301.415	3.597	50	20	DHGD	
O=C(Nc1ccc(N2CCCC2=O)cc1)C1CCC(Cl)CC1	1527400817	PYKAKHOCZBFZNV-UHFFFAOYSA-N	320.820	3.550	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1	98142513	WJLXWYYQNJHYRT-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2csc(-c3ccco3)n2)c1	150776597	RSYMWCGEWBVCEL-UHFFFAOYSA-N	317.345	3.608	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2csc(CC(C)C)n2)c1	150827561	MRUMSMAISYYQPF-UHFFFAOYSA-N	307.394	3.546	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1ccc(C(C)(C)C)nn1	151852825	RZDQJILYDXLWGD-UHFFFAOYSA-N	324.494	3.529	50	20	DHGD	
CC[C@@H](NC[C@H](C)CBr)c1ccc(OC)cc1	152763706	PDLAJXBSYWQBHF-BXUZGUMPSA-N	300.240	3.767	50	20	DHGD	
C[C@H](CSCc1ccccc1)C(=O)NNc1ccc(F)cc1	157647793	HLIRXHRXVVJGBE-CYBMUJFWSA-N	318.417	3.838	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@H](c1ccccc1)C1CC1	158963807	NTAYIYYGCWVPSO-OAHLLOKOSA-N	320.314	3.741	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H]2C[C@H]2c2sccc2C)c1	159211207	LAUOLAOCXIRGCT-KGLIPLIRSA-N	300.427	3.920	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2cccc3ccccc23)cc1	163126013	GSADOIQAJVRBRW-UHFFFAOYSA-N	302.337	3.860	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cc(C)ccc1F	181483882	NQAQPTVCOSJDGK-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(C2CCC2)cc1	189669761	KMSUXEQPFPOHFF-UHFFFAOYSA-N	302.324	3.989	50	20	DHGD	
Cc1cc(NS(=O)(=O)CCCCCl)c(Cl)cc1F	285229641	YCBWEUKTNRBVSV-UHFFFAOYSA-N	314.209	3.548	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2c[nH]nc2C(C)(C)C)cc1	293607630	YKLXCUUSFUIVSC-UHFFFAOYSA-N	314.433	3.762	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)cc1	295421910	TZDVXPFMRFEUKP-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
C[C@@H](O)C[C@@H]1CCCCCN1C(=O)c1cccc(CCl)c1	313957208	BBPFCLBKFRFIPX-CJNGLKHVSA-N	309.837	3.581	50	20	DHGD	
CC(=NNC(=O)C(C)(C)C)c1ccc(SCC(F)F)cc1	741761256	KRIOUSXORKEJLD-UHFFFAOYSA-N	314.401	3.930	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc2c(c1)COC2)c1ccccc1	743441051	BLVHIEJURQZOBV-IBGZPJMESA-N	322.408	3.751	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccccc1Cl	748563592	TTWDGNBPCZVBEU-UHFFFAOYSA-N	306.768	3.863	50	20	DHGD	
CCCCO[C@@H](C)C(=O)NNc1cc(Cl)ccc1Cl	752810702	MZHVTZXUFYPTML-VIFPVBQESA-N	305.205	3.642	50	20	DHGD	
O=C(CCc1ccoc1)NN(Cc1ccccc1)c1ccccc1	753179891	QXKLZBUDXMIHDY-UHFFFAOYSA-N	320.392	3.950	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccccc1C(F)(F)F)C1CCC1	756732189	AUELILUBAJYZOE-SECBINFHSA-N	301.312	3.520	50	20	DHGD	
CC(C)CSCCCNC(=O)NNc1ccccc1Cl	756749647	QOZMBKKOJDOLDV-UHFFFAOYSA-N	315.870	3.745	50	20	DHGD	
O=C(NCC1(Cc2ccccc2)CCC1)NNc1ccccc1	757743768	LOACBZJNHQJHCQ-UHFFFAOYSA-N	309.413	3.726	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C(C)C1CCCCC1	761269617	DYEVFGJOAMCUTJ-UHFFFAOYSA-N	320.458	3.860	50	20	DHGD	
CCC(=CC(=O)NNc1ccc(Br)c(C)c1)CC	762803666	DMDQSOHZAYBSJT-UHFFFAOYSA-N	311.223	3.947	50	20	DHGD	
COCc1ccc(/C=C(\C#N)c2nc(-c3ccccc3)no2)o1	764416410	GQJWOCMNXUACBZ-UKTHLTGXSA-N	307.309	3.540	50	20	DHGD	
C[C@@H](CBr)COC(=O)C(C)(C)Cc1ccccc1	770375426	PMSJNPFRTIAPTR-LBPRGKRZSA-N	313.235	3.830	50	20	DHGD	
CSc1cccc(C)c1NC(=O)NNc1cccc(C#N)c1	771286395	IDXCQZXOCMZQNU-UHFFFAOYSA-N	312.398	3.737	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cscc1Cl	771883838	JKGWXFWHDVPEAU-UHFFFAOYSA-N	317.801	3.507	50	20	DHGD	
CCCC(CC)=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	776185584	MWLKYONAEYILLV-CYBMUJFWSA-N	306.406	3.535	50	20	DHGD	
CC(C)CSCCCOC(=O)/C(C#N)=C/c1ccccc1	785378597	PVBSSNGFTJSVJW-LFIBNONCSA-N	303.427	3.916	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2cc(C)ccc2F)c1	786056121	MCXKWJYSJBTNCW-YVLHZVERSA-N	308.356	3.666	50	20	DHGD	
CC(C)=CCCNC(=O)NNc1ccccc1OC(F)(F)F	790523833	JYMSSHJHECZUAS-UHFFFAOYSA-N	317.311	3.568	50	20	DHGD	
C/C(=C/C(=O)NNc1ncccc1C)c1cccc(Cl)c1	791215132	PALVZVVTOWVNCU-XFXZXTDPSA-N	301.777	3.590	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	793083558	CJOOVYGAKSHGAE-AWEZNQCLSA-N	313.785	3.908	50	20	DHGD	
Cc1nc(CC(=O)NN=C[C@H](c2ccccc2)C(C)C)cs1	794469894	AOPCSZVWKKQVMB-INIZCTEOSA-N	315.442	3.536	50	20	DHGD	
Cc1nn(-c2ccccn2)c(Cl)c1/C=C(\C#N)c1ccccn1	794690880	MMYGWMOXSLUYDC-JLHYYAGUSA-N	321.771	3.688	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1c(F)cccc1Cl)c1cccnc1	797992030	LOJCWZPTNLARME-AWEZNQCLSA-N	321.783	3.757	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccc(Cl)cc2)c1)C(=O)c1ccoc1	798229391	AKMWVGVPINBPAA-AUWJEWJLSA-N	323.739	3.909	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](F)Cc1ccccc1	799757198	YGKOFZPNFZVBDV-INIZCTEOSA-N	300.377	3.581	50	20	DHGD	
CCSCCCNC(=O)CCCC[C@H]1CCSS1	800346480	UQVCNGWAEJSXOJ-LBPRGKRZSA-N	307.550	3.960	50	20	DHGD	
COc1cccc(C2(C(=O)NNc3c(C)cc(C)cc3C)CC2)c1	802826570	IDNSFJNEKAOYED-UHFFFAOYSA-N	324.424	3.795	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1sccc1Cl	803118855	GYUSDADUUBGTTA-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
C[C@@H](CC(=O)NNc1ncccc1F)Cc1ccc(Cl)cc1	804219777	QIPDILMFMWFEOJ-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(C(F)(F)F)s2)cc1	806398885	WUXGWVDDCJZYDD-UHFFFAOYSA-N	300.305	3.832	50	20	DHGD	
CO[C@@H]1CCC[C@H]1CNC(=O)NNc1c(C)cccc1C(C)C	813128039	ZSOUCSCSPGXOHS-GOEBONIOSA-N	319.449	3.560	50	20	DHGD	
CC[C@H](C)CONC(=O)NNc1cc(Cl)ccc1Cl	813830197	CVABYOJFDPGMBZ-QMMMGPOBSA-N	306.193	3.597	50	20	DHGD	
C[C@H](NC(=O)NNc1cccc(Cl)n1)[C@@H](C)c1ccccc1	814308338	KVLBZZUCUKYOSK-NEPJUHHUSA-N	318.808	3.553	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1sccc1O	815005442	ZOKFDZMZIQVPPB-UHFFFAOYSA-N	309.778	3.653	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNc1cccc(Cl)n1	817010535	GEJZKHHWKZMBNF-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C)c(Cl)c2)cc1	817895777	GLTNLLVHNZIFQP-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
C[C@H]1CCC[C@@]1(C)C(=O)NNc1cc(Cl)nc(Cl)c1	819748212	YFJMEJZGGOHLEH-ISVAXAHUSA-N	302.205	3.658	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)C1CCC1	837494708	CCKJJCPWYAYSLQ-MRVPVSSYSA-N	304.287	3.724	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN1C[C@@H](O)C[C@H]1c1ccccc1	839635909	LEKWJBBDCYYWOO-IRXDYDNUSA-N	321.537	3.816	50	20	DHGD	
Cc1cc(CN2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)nn1C	844338249	ZCLRKTJWHCWFHX-INIZCTEOSA-N	323.557	3.715	50	20	DHGD	
CC(C)[C@H](F)C(=O)NNc1ccccc1Cc1ccccc1	846463317	DMMMXEYOMMOTNX-KRWDZBQOSA-N	300.377	3.715	50	20	DHGD	
CCc1nc([C@H](C)NC(=O)NNc2ccc(C)c(F)c2)cs1	853718158	DYTMKLGBPAPLJZ-JTQLQIEISA-N	322.409	3.540	50	20	DHGD	
CC[C@@H](C)Oc1ccccc1/C=C\C(=O)NCCCSC#N	854362380	MGEAUVHPKQEEEU-CFYYFVFUSA-N	318.442	3.598	50	20	DHGD	
Cc1cc(C(=O)N(C)CC(Cl)Cl)c(-n2cccc2)s1	854479907	XGYRAEHBYDZGFA-UHFFFAOYSA-N	317.241	3.723	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(F)ccc1C)c1ccc(OC)cc1	855369218	ILOUFQQATLKLBJ-INIZCTEOSA-N	316.376	3.780	50	20	DHGD	
CSCC1CCC(NC[C@@]2(C)C[C@H]2Br)CC1	857064380	TUKMJOWHDMXTAR-FIYWTHMPSA-N	306.313	3.671	50	20	DHGD	
Cc1c([C@H](C)NC[C@]2(C)C[C@H]2Br)cnn1C(C)C	857082425	NROZVOYYNPEMMP-GDLCADMTSA-N	314.271	3.597	50	20	DHGD	
C[C@]1(CNC(=O)c2ccc3c(c2)CCC=C3)C[C@H]1Br	857391197	MOBASBYELWYZDA-GDBMZVCRSA-N	320.230	3.549	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(F)ccc(F)c1Cl	863188513	FNOMYACZDFZKDY-VQHVLOKHSA-N	319.760	3.698	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)N2CCCC2)cc1	864366241	NZDJCWNNGCYAAE-QGOAFFKASA-N	324.424	3.835	50	20	DHGD	
C[C@@H](O)CNN=Cc1cccc(S(F)(F)(F)(F)F)c1	905473942	OTGKFVXJRIRHKR-MRVPVSSYSA-N	304.284	3.648	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2ccc(C)c(C)c2)c1	913484651	RGYURNSADXQCAJ-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
Cc1cc(C(=O)NN=CCCc2ccccc2)c2ccccc2n1	915922402	OHVPETXSHFYRSR-UHFFFAOYSA-N	317.392	3.892	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1cc(Cl)ccc1O	916278957	GESRYBUHAJSENJ-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CCC(CC)[C@H](NC(=O)NNC(=O)CC(C)C)c1ccccc1	916517742	PWPFVMBCJWDDGX-KRWDZBQOSA-N	319.449	3.540	50	20	DHGD	
CCN(CC)c1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1	920381707	XMSWAERBCRWNNI-UHFFFAOYSA-N	305.422	3.734	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)c1c(C)noc1C(C)C	928336314	JWDBCQFSEXGGPH-UHFFFAOYSA-N	307.781	3.825	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C(C)(C)c1c(C)noc1C	928336970	GBNDWJSAJDMSMT-UHFFFAOYSA-N	321.808	3.674	50	20	DHGD	
CC(C)(C)Oc1cccc(NC(=O)NNc2cccc(F)n2)c1	934056855	ZYVDRRRJWKQUMB-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
CSCC(=NNC(=O)c1ccccc1Cl)c1ccccc1	1318141013	ROVUFHRSWDGZRP-UHFFFAOYSA-N	318.829	3.837	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CC[C@@H](COc2ccccc2)C1	1346521213	UTMIFOSDLXDWBW-QQFBHYJXSA-N	321.848	3.712	50	20	DHGD	
CC[C@H](C)n1nccc1C(=O)NNc1ccc(C(C)C)cc1	1521652619	HAFGBLQCLHTGTK-ZDUSSCGKSA-N	300.406	3.734	50	20	DHGD	
CCOc1ccc(CNC(=O)C2CCC(Cl)CC2)cc1F	1548643251	IIRQSXICSCKQJJ-UHFFFAOYSA-N	313.800	3.638	50	20	DHGD	
O=C(O)c1cc(Cl)cc(NC(=O)C2CCC(Cl)CC2)c1	1602263067	ONVGGMHXCHCUEP-UHFFFAOYSA-N	316.184	3.774	50	20	DHGD	
CNC(=O)/C(C#N)=C/c1ccc(-c2cccc(Cl)c2)s1	25582071	AOQQPZXCIMOCME-DHZHZOJOSA-N	302.786	3.721	50	20	DHGD	
CCCc1cnc(NC(=O)NNc2c(F)cccc2F)s1	121296883	DKYQJUJVNSCRBT-UHFFFAOYSA-N	312.345	3.522	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2CCCC[C@H]2C(F)(F)F)c1	127684285	SYRZLGJQOHBSDI-WDEREUQCSA-N	318.314	3.946	50	20	DHGD	
Cn1c(Cl)nc(Cl)c1/C=C(/C#N)C(=O)C1CCCCC1	130192176	BYZBXQPLPDZCAI-YFHOEESVSA-N	312.200	3.783	50	20	DHGD	
O=C(Nc1cccnc1)NN(c1ccccc1)c1ccccc1	138246574	MNJDUPKXLJAQEH-UHFFFAOYSA-N	304.353	3.956	50	20	DHGD	
Cc1ccc(NNC(=O)CCc2cn(C)c3ccccc23)cc1	158648908	XKJNKEWXNBNBKV-UHFFFAOYSA-N	307.397	3.563	50	20	DHGD	
COc1cccc(SCC(=O)NNc2cc(C)ccc2C)c1	159016965	VIWPRCRZPHUPNI-UHFFFAOYSA-N	316.426	3.547	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1C#N	173014589	FNXLHNKYXZJSPT-NTEUORMPSA-N	300.321	3.507	50	20	DHGD	
O=C(COc1cccc2ccccc12)NNc1ccccc1F	178898739	WYRZTSQPBJPZQF-UHFFFAOYSA-N	310.328	3.501	50	20	DHGD	
CC(C)Cn1ccc2cc(NC(=O)NNc3ccccn3)ccc21	180691223	ATEOEETUKIGGQW-UHFFFAOYSA-N	323.400	3.841	50	20	DHGD	
C=CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(F)cc2)c1	182359803	IWVFOZVVDDNXHC-RVDMUPIBSA-N	322.339	3.936	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(Cc1cccs1)C1CC1	188145591	JVDFNYGXHFVYDQ-GXDHUFHOSA-N	324.405	3.552	50	20	DHGD	
CCCn1c(C(=O)NNc2cc(C)ccn2)cc2ccccc21	190556494	ORYODQSYOBJBAP-UHFFFAOYSA-N	308.385	3.512	50	20	DHGD	
Cc1[nH]c2ccccc2c1C=NNC(=O)c1ccccc1Cl	252462516	SZZMEWQFLOJJJL-UHFFFAOYSA-N	311.772	3.894	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	275604448	KZXYYTZYYSRSPF-CLXYIWAZSA-N	317.392	3.930	50	20	DHGD	
O=C(C[C@@H]1C[C@H]2CC[C@H]1C2)NNc1cccc(C(F)(F)F)c1	301219067	WZSHNNRHIARHFW-SRVKXCTJSA-N	312.335	3.975	50	20	DHGD	
C[C@@H]1CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@@H]1c1ccccc1	490908862	LYIOXJBNCFRQML-SDVODKOUSA-N	318.376	3.519	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)N[C@@H]1CCc2cc(F)ccc21	588429857	WPZGIEGSGPYFMR-GIIHOQTISA-N	324.330	3.675	50	20	DHGD	
CC[C@H](C)C(=O)NN=C(C)c1ccc(Cl)c(Cl)c1O	727651227	NUOPVORKZUXBLY-ZETCQYMHSA-N	303.189	3.585	50	20	DHGD	
Cn1cc(C(=O)NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@H]32)c2ccccc21	744780366	LULFWXPVYVTEJM-KQTLUZQSSA-N	321.424	3.720	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1)C(C)(C)C	746895821	KAOMUIQQIDJGGU-SECBINFHSA-N	313.323	3.702	50	20	DHGD	
COc1ccc(C=NNC(=O)CC2CCCC2)c2ccccc12	749447078	OGOMZVJQWXYZLA-UHFFFAOYSA-N	310.397	3.879	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccnc2)C[C@@H](c2ccccc2)C1	749853571	PCDCJAKODRWHPM-PBHICJAKSA-N	307.397	3.771	50	20	DHGD	
CC(C)=C[C@H]1[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)C1(C)C	753303006	RYBMITVVRCAXLZ-ZFWWWQNUSA-N	317.820	3.893	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2)c(Br)c1	755180337	PELHMWKDEMNUCW-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1c(Cl)cccc1Cl)OCC	755983868	WKCQWIWUWCTWMV-GFCCVEGCSA-N	317.216	3.808	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cc(F)ccc2C#N)cc1	759350065	ZMCPERVGTRHACO-PXNMLYILSA-N	320.323	3.656	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ccc(OC(F)(F)F)cc1	761598768	AZZNQTVJGNOLSA-UHFFFAOYSA-N	316.323	3.999	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1ncccc1C(F)(F)F	762247977	RDOGKZKPYVWLSY-VIFPVBQESA-N	303.328	3.616	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=C1CC[C@H]1c1ccccc1	769782552	YDKGUIUYRGABDM-KRWDZBQOSA-N	317.392	3.760	50	20	DHGD	
CCNC(=O)N(C)N=CCCCc1cccc(C(F)(F)F)c1	769798078	JCNJMJMTVUUHSY-UHFFFAOYSA-N	315.339	3.675	50	20	DHGD	
O=C(CCc1ccccc1F)NNc1c(F)cccc1Cl	770198192	LVZTWZLULWVLFA-UHFFFAOYSA-N	310.731	3.694	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1cnc2ccccc2n1	774769129	DWRFYWBPYNCHNQ-UHFFFAOYSA-N	300.406	3.679	50	20	DHGD	
CCCCNC(=O)NN=Cc1ccc(Oc2ccccc2)o1	779773027	YJBRJWPRGPHBFG-UHFFFAOYSA-N	301.346	3.505	50	20	DHGD	
C[C@H](C1CC1)N(C(=O)[C@@H](Br)C(C)(C)C)C1CC1	781083225	VMCKJWQDOOIQKY-BXKDBHETSA-N	302.256	3.586	50	20	DHGD	
CC(C)CC(CC(C)C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787316787	DKOCMJQVOYVBTQ-LFIBNONCSA-N	314.429	3.876	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1cccc(F)c1[N+](=O)[O-]	791062306	CQNHGRBTMXHAGB-NSHDSACASA-N	311.357	3.784	50	20	DHGD	
CSSCCNC(=O)C(C)(C)c1ccccc1Cl	791155095	MLWYXXZDOHSUIF-UHFFFAOYSA-N	303.880	3.745	50	20	DHGD	
C=C(CBr)COC(=O)/C=C\c1ccc(Cl)cc1	795354641	VTAGJWCPWLDNEN-DAXSKMNVSA-N	315.594	3.848	50	20	DHGD	
CCC1(C(=O)NNC(=O)Nc2ccccc2C)CCCCC1	798310133	KCQGLEMHUOQIEN-UHFFFAOYSA-N	303.406	3.508	50	20	DHGD	
N#C/C(=C/c1cccc(CCl)c1)C(=O)NC1CCCCC1	799888672	IKLATUQSEZEJKZ-GDNBJRDFSA-N	302.805	3.781	50	20	DHGD	
CC(C)(COCc1ccccc1)C(=O)NNc1ccc(F)cc1	800403052	SPLGLUURNGNVSQ-UHFFFAOYSA-N	316.376	3.512	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1ccc2nccnc2c1	812769787	VQMBWBQECKAVGI-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
Cc1nc2ccccc2n1CC(=O)NN=C1CCCC12CCCC2	814729963	GUZKQIKJFZJZHM-UHFFFAOYSA-N	324.428	3.561	50	20	DHGD	
O=C(NN=C1CCCC12CCOCC2)Nc1ccc(Cl)cc1	815005207	UWMRGHYCUSGSIM-UHFFFAOYSA-N	321.808	3.798	50	20	DHGD	
CCc1ccc(C#CC(=O)NNc2c(C)cccc2CC)cc1	816570298	PKJCHMUAAFCJDI-UHFFFAOYSA-N	306.409	3.615	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@@H](C)c1ccncc1	836933072	HUVKDXKAWIQRDZ-GFCCVEGCSA-N	303.793	3.680	50	20	DHGD	
CC[C@H](OC1CCCC1)C(=O)NNc1ccc(C(C)C)cc1	837053689	HVJNCULBHCEXHK-KRWDZBQOSA-N	304.434	3.991	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2cnsn2)C1	846995422	NDZHLCUSFARROF-CYBMUJFWSA-N	313.543	3.524	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1ccc(O[C@@H]2CCOC2)cc1	849179828	XEXSVSQMCAWGMJ-XBNGYDHASA-N	323.348	3.546	50	20	DHGD	
CCC(CC)(C(=O)NNc1ccnc(Cl)c1)c1ccccc1	855467553	BYCOZDVBOHAYCS-UHFFFAOYSA-N	317.820	3.936	50	20	DHGD	
CCCCc1ccc(C(=O)NNc2ccc(Cl)cn2)cc1	856095191	HAUTZWAVJLLISU-UHFFFAOYSA-N	303.793	3.835	50	20	DHGD	
CC(C)=CCC[C@H](C)CC=NNC(=O)c1sc(N)nc1C	874113795	XLJXKOKTDUFMCX-NSHDSACASA-N	308.451	3.522	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)c2ccc(Cl)nc2)s1	915975025	BRGHGESTHNNRQX-UHFFFAOYSA-N	307.806	3.513	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccccc1OCc1ccccc1	915977023	NYRWRVDSIDZWQL-HNNXBMFYSA-N	310.397	3.762	50	20	DHGD	
C[C@H](CNC(=O)NNc1ccc(Cl)cc1Cl)C1CC1	920053119	DCEUBRCXQKJNFV-MRVPVSSYSA-N	302.205	3.666	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc(-c3cccs3)s2)CC1	1116595685	ZHWRKEOCXDFGFU-UHFFFAOYSA-N	300.408	3.772	50	20	DHGD	
CC(Cc1ccccc1Cl)=NNC(=O)c1cccc(C#N)c1	1339465196	JOIYRPUFODWBPM-UHFFFAOYSA-N	311.772	3.560	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccco2)ccc1OC(F)F	8200615	RIVGZGGWPXPLRT-YRNVUSSQSA-N	319.263	3.679	50	20	DHGD	
CCCCCOc1ccc([C@@H](C)NC=C(C#N)C#N)cc1OC	55007399	WDRFRBMXCPPTCS-CQSZACIVSA-N	313.401	3.846	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccccc1OC1CCC1	118969894	KOAKLOSURKRNMU-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
CCCNC(=O)/C(C#N)=C/c1ccc(-c2ccccc2OC)cc1	125327209	ASJFPQJAIXINOC-GHRIWEEISA-N	320.392	3.795	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C1(Cc2ccccc2)CCC1	136758193	MZOQRGPZONKKET-UHFFFAOYSA-N	316.351	3.821	50	20	DHGD	
CCC(CC)(CO)CNC(=O)CCCC[C@@H]1CCSS1	153966585	GIDHOJUUGQDKOX-CYBMUJFWSA-N	319.536	3.615	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3ccncc3Cl)cc2C1	154677291	YUXWWEKWNLCJRW-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ccc(Br)c(C)c1	162942922	CTQHWYWXDACZBP-UHFFFAOYSA-N	323.234	3.969	50	20	DHGD	
CCC(CC)n1nc(C(=O)NNc2ccc(F)cc2F)cc1C	180513242	YUIMGWLFNIRJHO-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
O=C(NNc1ccccn1)Nc1cccc(-c2cccs2)c1	180690761	QWHMDOBPJONPLR-UHFFFAOYSA-N	310.382	3.959	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@H]2CCSS2)C[C@@H](C)O1	247499176	HXTQOWKZJVVACC-MCIONIFRSA-N	317.520	3.726	50	20	DHGD	
CC[C@H]1C[C@@H](C(=O)NNc2cc(Cl)cc(Cl)c2)CCO1	276923052	WSLCNYUBOFHWLM-ZANVPECISA-N	317.216	3.642	50	20	DHGD	
C[C@@H](CCNC(=O)/C(C#N)=C\c1ccc(O)cc1)c1ccccc1	490878974	PYRRHOHQXBLVMV-LUJRCDHRSA-N	320.392	3.609	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1sc(-c2ccc(C)cc2)nc1C	727648579	KZEAQGLLSCKSNB-UHFFFAOYSA-N	315.442	3.923	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@H](C)CC1CCCC1	733929812	NDOGJMFYVYIZHU-LLVKDONJSA-N	307.346	3.725	50	20	DHGD	
C=CCCCOC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	735525688	MMIGCGGBLZPAOH-ATVHPVEESA-N	300.402	3.931	50	20	DHGD	
Cc1ccc(C[C@@H](C)NC(=O)NNc2ccccc2Cl)s1	739045330	HYYPWKWNPQSOAU-SNVBAGLBSA-N	323.849	3.967	50	20	DHGD	
Cc1cc(C=NNC(=O)CC(C)(C)C)ccc1Br	746371514	XWKHMRQBUKJLKF-UHFFFAOYSA-N	311.223	3.644	50	20	DHGD	
O=C(NN=Cc1coc2ccccc12)c1cccc2ncccc12	746577006	SRDOWSFDWRNKPW-UHFFFAOYSA-N	315.332	3.745	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N[C@@H]1CCCSC1	748734996	MJCOCPDUJSUFCJ-NEPJUHHUSA-N	305.534	3.712	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(F)c(F)c2)cc1	748786787	WVKNCXRGNPMMEJ-OVCLIPMQSA-N	313.303	3.924	50	20	DHGD	
CC1CCN(C[C@@H]2CCCN(/C(=C/C#N)c3ccccc3)C2)CC1	750802065	UTDGOFXQIALUTQ-GICSZMDTSA-N	323.484	3.995	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@@H](C)c2ccc(Cl)c(Cl)c2)c1	755853840	JDFVMSIRBNULRC-JTQLQIEISA-N	324.211	3.944	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2[C@H](C)CC[C@H]2C)c1C	757792607	BHBNLCUCINPPDT-HSVRQYNYSA-N	313.445	3.821	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)Oc2ccc(Cl)cc2)c1	760468950	PJOYNRZQBJGOHF-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N[C@@H]2CCC(C)(C)C2)cc1	769153763	LZFCNJFDYNDZAZ-RBFDBLARSA-N	312.413	3.687	50	20	DHGD	
C[C@H](CBr)CN1CC=C(c2ccc(O)cc2)CC1	770645098	HHHIKTTZCOXPSH-GFCCVEGCSA-N	310.235	3.512	50	20	DHGD	
O=C(NNc1c(F)cccc1F)Nc1ccc2c(c1)CCC2	775450921	VKEWIQQEKQSILM-UHFFFAOYSA-N	303.312	3.602	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1cc(Cl)cc(C(F)(F)F)c1	780212420	OOEPPFUZRQPJEX-QMMMGPOBSA-N	306.715	3.855	50	20	DHGD	
O=C(NN=C1CC(c2ccc(Cl)cc2)C1)c1ccccc1O	783785763	IDTKMHNLIDUXKL-UHFFFAOYSA-N	314.772	3.709	50	20	DHGD	
C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)[C@@H]2CCCC[C@@H]12	786942329	PHIKOLIHSHLKEM-NARDKJFESA-N	324.424	3.726	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1csc(Cl)c1	787135351	VIAFMXWIPHWDKB-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
CCO[C@@H](CC(=O)NNc1cc(Cl)cc(Cl)c1)C(C)C	791739254	JMQSBIDFWYVUHO-ZDUSSCGKSA-N	319.232	3.888	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2ccc3occc3c2)cc1C	794868125	FZWYHNFZOWUJNP-UHFFFAOYSA-N	322.364	3.579	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C1CCC(N(C)Cc2ccccc2)CC1	797787641	XWIAUXSUOAWNFU-NNJIEVJOSA-N	315.461	3.579	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1ccccc1SC	799754988	GAXGPIOCEOIMAJ-UHFFFAOYSA-N	314.454	3.965	50	20	DHGD	
C/C(C=NNC(=O)c1ccc[nH]1)=C/c1ccccc1C(F)(F)F	799873130	AHSZVSKORHLNSH-JUGZOHOJSA-N	321.302	3.853	50	20	DHGD	
CCc1ccccc1OCCC(=O)NNc1c(C)cccc1F	803117077	SEODNHNDMVIKPG-UHFFFAOYSA-N	316.376	3.609	50	20	DHGD	
O=C(NNc1nccnc1C1CCC1)c1ccc(C2CCC2)cc1	805475587	UTOQKAAKZIGWHT-UHFFFAOYSA-N	322.412	3.769	50	20	DHGD	
CO[C@@](C)(CNC(=O)CCCC[C@H]1CCSS1)C1CC1	812553887	IYRMWSABJITLFX-ZFWWWQNUSA-N	317.520	3.632	50	20	DHGD	
COc1cccc(CC(=O)NNc2c(C)cccc2C(C)C)c1	812762829	MVVHDCHAJWIUJJ-UHFFFAOYSA-N	312.413	3.813	50	20	DHGD	
CSc1ccc(C=NNC(=O)Nc2ccccc2C)s1	814806644	KBEVNGVTLWWHIM-UHFFFAOYSA-N	305.428	3.934	50	20	DHGD	
CC[C@H](C=NNC(=O)CCc1ccccc1O)c1ccccc1	814839929	BORYMDITWYEWDR-OAHLLOKOSA-N	310.397	3.621	50	20	DHGD	
CCc1onc(C)c1NC(=O)NNc1ccc(C)cc1Cl	836479619	DBNGYNLDFZWNOD-UHFFFAOYSA-N	308.769	3.656	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C[C@@H]1CC[C@@H](C)C1	840547909	WYAXABXQKISIRU-GHMZBOCLSA-N	310.829	3.523	50	20	DHGD	
COC1(C(F)(F)F)CCN(/C(=C/C#N)c2ccccc2)CC1	842160572	KMYSLIWOWLBBFP-VGOFMYFVSA-N	310.319	3.594	50	20	DHGD	
C=CCC1(C(=O)NNc2ccc(F)c([N+](=O)[O-])c2)CCCCC1	842250958	NEEHGBKQBUFDEC-UHFFFAOYSA-N	321.352	3.704	50	20	DHGD	
COC[C@H](C)Oc1ccc(/C=C(\C#N)C(=O)C(C)(C)C)cc1	853000383	AMSICOPMMGZUQU-LERPTODRSA-N	301.386	3.622	50	20	DHGD	
O=C(NN=C1CCC[C@H](C(F)(F)F)C1)c1cccc(Cl)n1	853410293	IUNHOQKMSARQOL-QMMMGPOBSA-N	319.714	3.573	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1cccc(-n2cncn2)c1	853670738	RCAZKIKFMPOFMA-UHFFFAOYSA-N	319.481	3.668	50	20	DHGD	
CC1(CC(=O)NNc2cc(C(F)(F)F)ccn2)CCCCC1	857513207	BFICXCUVQCXIMO-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCOC(=O)NN=C(C)c1ccc(N2CCCCCC2)cc1	916267765	CHPZWSFNESHEIW-UHFFFAOYSA-N	303.406	3.537	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)[C@@H](C)c1c(C)noc1C	928340595	WASBJBINTVHTSN-VIFPVBQESA-N	307.781	3.500	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(C(C)(C)C)cc1)c1cccc(O)c1	935304463	WZQFQPIZBSDINB-CYBMUJFWSA-N	312.413	3.937	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NC/C=C\C2CC2)c1C	1326370307	JKNWPJJCONQSSV-PTEMXYTNSA-N	311.429	3.504	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)s1)c1cccnc1	1330161484	OYVJXKFVSCMZOU-UHFFFAOYSA-N	307.378	3.574	50	20	DHGD	
COc1ccccc1-c1ccc([C@H](C)NC(=O)CCl)cc1	1341509996	WEQNHNZYLHXLCL-LBPRGKRZSA-N	303.789	3.778	50	20	DHGD	
CCc1ccc(C(=O)NNc2nccnc2C2CCC2)cc1CC	1341987026	WIKLQQYKEXRFRZ-UHFFFAOYSA-N	324.428	3.626	50	20	DHGD	
Cc1cc(C(=O)OC[C@H](C)CBr)nc2ccccc12	1342806761	JIGSKYMFGOIJDF-SNVBAGLBSA-N	322.202	3.731	50	20	DHGD	
O=C(NCC1([C@H]2CCCCO2)CCC1)C1CCC(Cl)CC1	1347152378	YLLDERSTWBWKJP-YMAMQOFZSA-N	313.869	3.640	50	20	DHGD	
CCc1oc(/C=C(\C#N)C(=O)c2ccc(C)c(C)c2)cc1C(=O)O	1597791933	ZVAWJCNIKBOUPW-RIYZIHGNSA-N	323.348	3.947	50	20	DHGD	
C=CCC1(C=NNC(=O)Nc2ccc(C(=O)O)cc2)CCCC1	1776045762	JPZQXVUBPMELMI-UHFFFAOYSA-N	315.373	3.629	50	20	DHGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)c2cccc(C(=O)O)c2)C1	1776095531	DRIWZYFGYZTZOS-ZDUSSCGKSA-N	316.401	3.707	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(C(=O)O)s3)[nH]c12	1777448221	CHSPYSQYOBGPDC-JXMROGBWSA-N	309.350	3.695	50	20	DHGD	
CC(C)(Oc1ccc(Cl)cc1)C(=O)NNc1ccc(F)cc1	45971595	WATDXGRSFZGZMP-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1csc(-c2ccccc2)n1	61038594	GEBCXUYARDAQEU-UHFFFAOYSA-N	313.357	3.706	50	20	DHGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)sc2ccc(F)cc12	64705963	NCIBJUQRFHVBCA-UHFFFAOYSA-N	324.377	3.518	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)c1nc(-c2ccncc2)cs1	66408138	SNNJUDDJXBHRRP-ZROIWOOFSA-N	305.362	3.975	50	20	DHGD	
Cc1nc(-c2ccsc2)ccc1C(=O)NNc1ccccc1	111554499	UUXDSGMJWCZYQL-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccn(-c3ccccc3)n2)cc1	154738776	UPKOKSXRJIIDMQ-GHRIWEEISA-N	313.360	3.971	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)Nc1ccc(Cl)cc1	172049869	UABITHUTYFDRLB-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H]1C[C@@]12CCc1ccccc12	175185523	GAADTUSOVRXLKB-SJLPKXTDSA-N	312.800	3.687	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cc(C#N)cs1	176838751	CASZQFZTVJDUAD-JYRVWZFOSA-N	323.377	3.564	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccc(COc2ccccc2)cc1	181166523	UMEUJGOSQLIXIU-JQIJEIRASA-N	322.364	3.648	50	20	DHGD	
COc1ccccc1CN(C)/C(=C\C#N)c1ccc([N+](=O)[O-])cc1	255551527	TWTXUQYXKAEFLS-BOPFTXTBSA-N	323.352	3.600	50	20	DHGD	
N#CC1=CCN(C(=O)[C@@H]2C[C@H]2c2ccc3ccccc3c2)CC1	270958168	QKAOVIUPDRYYOX-RBUKOAKNSA-N	302.377	3.626	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	275604452	KZXYYTZYYSRSPF-LZNAANCOSA-N	317.392	3.930	50	20	DHGD	
CSSCCNC(=O)c1ccccc1CCC(F)(F)F	283991633	HXCBBRIHRBUHSD-UHFFFAOYSA-N	323.405	3.923	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(C#N)cc1)c1ccccc1	490695207	MHSFRTIRVCYHDS-TVNWYLLRSA-N	315.376	3.733	50	20	DHGD	
CCC[C@H](C)[C@H]1CCCN1C(=O)/C(C#N)=C/c1ccc(O)cc1	588608773	UFOYWIXEVWRVLN-QBDRBRNDSA-N	312.413	3.726	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)c1ccc2ccccc2n1	729631036	DKOSUJUWZAGFFQ-UHFFFAOYSA-N	315.442	3.872	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CC2CC2)c1C	732643490	KQAGMJABMILIOH-WOJGMQOQSA-N	313.445	3.680	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1nccc2ccccc12	740761331	NIXFDEFJMXYBEO-UHFFFAOYSA-N	323.783	3.581	50	20	DHGD	
CC(CCc1ccccc1[N+](=O)[O-])=NNC(=O)CC1CCCC1	741461347	ZSDFVZYPDWQIST-UHFFFAOYSA-N	317.389	3.600	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2cccc(Cl)c2)C12CCCC2	743426021	FUIAFAIMMVXBKE-HNNXBMFYSA-N	320.820	3.795	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CCC(=O)NNc2ccc(Cl)nc2)o1	743815387	CYXQWOUTTLYKEI-GXFFZTMASA-N	319.792	3.527	50	20	DHGD	
CC(=NNC(=O)NC1CCCC1)c1ccc(-c2ccncc2)cc1	745196621	PCUVUHCADKBBFK-UHFFFAOYSA-N	322.412	3.714	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1ccc(Cl)c(F)c1	746695932	OPWZFIFUCHEYAF-SECBINFHSA-N	304.818	3.844	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)Cc1ccncc1	747642782	YUVPRCUJULBOQU-UHFFFAOYSA-N	309.413	3.529	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCOc2ccccc2Cl)c1	748418113	OJOLDTYILOLWTF-UHFFFAOYSA-N	318.804	3.869	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1cc(Cl)nc(C)n1	749540791	WIIROYXSOFWIQD-ZDUSSCGKSA-N	324.856	3.878	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C[C@H]2C[C@@H]2c2ccccc2)cc1	755567503	YMVGMFXXEURXJG-SJLPKXTDSA-N	324.449	3.993	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc(Cl)cs1	760464091	WZPIGLDUPBSAEK-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
Cc1cc(C)c(NNC(=O)NCCC[C@@H]2CCCCO2)c(C)c1	761036311	GKMKOFQEPQYJGJ-INIZCTEOSA-N	319.449	3.587	50	20	DHGD	
C#C[C@@H](OC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C)C1CC1	767519624	DNZSBYLRDQIAGV-XLXASQRYSA-N	324.424	3.767	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCCC(C)(C)C2)cc1	767776059	KOOTZBHUHKGUDY-UHFFFAOYSA-N	302.418	3.700	50	20	DHGD	
C[C@H](CSc1ccc(F)cc1)C(=O)NN(C)c1ccccc1	768930438	WOEVNPYDARDFNS-CYBMUJFWSA-N	318.417	3.722	50	20	DHGD	
CCc1ccccc1NC(=O)NNc1ccc(F)c(F)c1F	769932993	SSOAHDNMQXTXGS-UHFFFAOYSA-N	309.291	3.815	50	20	DHGD	
N#CSCCCNC(=O)Cc1ccc(-c2ccccc2)cc1	773584946	DKKSYTBOGHPMMZ-UHFFFAOYSA-N	310.422	3.617	50	20	DHGD	
C[C@@H]1CCC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)[C@H](C)C1	783856533	YLQYJCGTSZCUBF-GHMZBOCLSA-N	316.430	3.680	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)cc1O)c1csc(Cl)c1	787153895	RCEHVRQWJWLOEJ-UHFFFAOYSA-N	308.790	3.570	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N(C1CCCCC1)C1CC1	787156165	BBPQJKIVHOOJPI-QINSGFPZSA-N	310.397	3.623	50	20	DHGD	
Oc1nc(CCCBr)nc2sc3ccccc3c12	790110092	JAYPXCBQRZLSOH-UHFFFAOYSA-N	323.215	3.878	50	20	DHGD	
CC(C)c1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)on1	791720667	RFWJTJCULRKLNN-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)c1c(Cl)cccc1Cl	794689551	BTSXMFZRKHIGLS-POHAHGRESA-N	320.179	3.825	50	20	DHGD	
C[C@H]1C[C@@H](c2ccccc2)N(CCI)C1	796622113	XZYHWELNZAHHKM-AAEUAGOBSA-N	315.198	3.505	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCC(=O)c1cccc(Cl)c1Cl	801863279	XGXVDUQUJNOYSZ-POHAHGRESA-N	324.163	3.579	50	20	DHGD	
COCCC1(C)CN(C(=O)CCCC[C@H]2CCSS2)C1	811579515	GSWRHCGZWJMHSE-ZDUSSCGKSA-N	317.520	3.586	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(Cl)cn1C	812766702	MZYOGVNTSIJAEE-UHFFFAOYSA-N	305.809	3.867	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(Cl)c(F)c1	814597778	FAQWITJJTAWAJJ-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NN=C1CC(c2cc(F)cc(F)c2)C1)c1ccccc1F	814700849	FULBIWBRXNYFQJ-UHFFFAOYSA-N	318.298	3.767	50	20	DHGD	
CCCC(=NNC(=O)c1cccc2ncccc12)c1ccccn1	814841324	LZDWRUPAXDTJDL-UHFFFAOYSA-N	318.380	3.564	50	20	DHGD	
O=C(NN=C[C@@H]1CCSC1)Nc1ccc(Cl)cc1Cl	814995310	GPZKDFRMSSITRM-QMMMGPOBSA-N	318.229	3.854	50	20	DHGD	
COCC1(C(=O)NNc2cccc(Cl)c2Cl)CCCC1	838345325	MXALRWCZDOFGKJ-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
CC[C@H](CNC(=O)NNc1c(C)cccc1F)CC(F)(F)F	840434004	XGULKIPYRABBMX-JTQLQIEISA-N	321.318	3.739	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNc1cc(C#N)cc(Cl)n1	843843839	CQULVCNPEQAQQC-GFCCVEGCSA-N	320.824	3.822	50	20	DHGD	
Cc1cnc(CN2CCC[C@@H]2CO[Si](C)(C)C(C)(C)C)cn1	844348036	RWPMNHPSEFHRQF-MRXNPFEDSA-N	321.541	3.771	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@H]1CC12CCCC2	856233865	DWMMWJSCKHFHRJ-SNVBAGLBSA-N	321.833	3.973	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)C1[C@H]2CCCC[C@H]12	856233874	DYUDTDMKWDFABO-UWVGGRQHSA-N	321.833	3.829	50	20	DHGD	
CCC[C@@H]1C[C@H](C(=O)NNc2cc(Cl)ccc2C)CCO1	885126629	CJFOQPRUPQVZDL-TZMCWYRMSA-N	310.825	3.687	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)CCOc2ccc(C)cc2C)c1	913726956	AVVBWJRCYMQJOE-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
CCN(C)C(=O)/C(C#N)=C/c1cc(C)n(C2CCCCC2)c1C	914527246	HNSNKYYPHJIVQM-SFQUDFHCSA-N	313.445	3.995	50	20	DHGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1ccccn1	916245399	VGZXEJZGZMWSFM-UHFFFAOYSA-N	315.376	3.629	50	20	DHGD	
CC(=NNC(=O)[C@H](C)CN1CCCCCC1)C1CCCCC1	916367017	PXVUXIYSQJNXBL-OAHLLOKOSA-N	307.482	3.571	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)c2nnc(CC3CC3)o2)c1C	1117226952	JFBSBFINVKDTQR-YBEGLDIGSA-N	310.401	3.915	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H]2Cc3ccc(C)cc3S2)c1	1252944756	NYPLBOZMJTUYPS-MRXNPFEDSA-N	316.401	3.603	50	20	DHGD	
Cc1sc(-n2cccc2)c(C(=O)NNc2ccccc2)c1C	1326038523	DCAUBAYHCPDVKP-UHFFFAOYSA-N	311.410	3.913	50	20	DHGD	
Cc1ccccc1CC1CN(C(=O)C2CCC(Cl)CC2)C1	1347096815	GZKLLAXHUFVTEB-UHFFFAOYSA-N	305.849	3.794	50	20	DHGD	
C[C@@H]1[C@@H](C(=O)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)C1(F)F	1350091722	QCDZAQXPVZJVLC-UTUOFQBUSA-N	319.468	3.510	50	20	DHGD	
O=C(Nc1cccc2c(O)nccc12)C1CCC(Cl)CC1	1352273416	QPBMNMFHYFZSEZ-UHFFFAOYSA-N	304.777	3.677	50	20	DHGD	
COC(=O)/C(C#N)=C\c1ccc(-c2nc3ccccc3s2)o1	5981595	RBVMFZRTFRVJSQ-NTMALXAHSA-N	310.334	3.636	50	20	DHGD	
O=C(Cc1ccc(C(F)(F)F)cc1)NNc1ccc(F)cc1	53463880	JZKYFSJIAVXZCZ-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
Cc1ccccc1NNC(=O)c1csc(-c2ccccc2)n1	123086271	YNTVMQHGSRRTTE-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
COc1ccccc1C[C@@H](C)CC(=O)NNc1ccccc1F	153128442	DADBVFDUTFQPGJ-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
CC(C)CCO[C@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1	153579062	FFMVDBFKPPDAJO-LLVKDONJSA-N	318.339	3.600	50	20	DHGD	
Cc1noc(C)c1C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	155276806	IFUKIWRVTSRLMT-UHFFFAOYSA-N	312.281	3.572	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2SCCc3sccc32)cc1	158687528	LUEWNVABPVFMPJ-CQSZACIVSA-N	304.440	3.530	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)N[C@@H](C)c2ccccc2)s1	177890932	GFJSCZAEPDSKIE-LQELWAHVSA-N	312.394	3.541	50	20	DHGD	
N#C/C(=C/c1cncs1)C(=O)Nc1cccc(C(F)(F)F)c1	178319561	GFQBUVCDLHCCIH-WTKPLQERSA-N	323.299	3.708	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cncc(Br)c1	184751524	GSOPNHHMJAOUKQ-XGICHPGQSA-N	307.191	3.756	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCCCCCC1	188332641	IDPWRUXCMVBSAO-SSZFMOIBSA-N	312.413	3.870	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1cn(CCC#N)c2ccccc12	192575198	WWOUBEIYQVQIFC-NTCAYCPXSA-N	321.380	3.805	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OCCCC#N)c1C	194216998	JPQXRZPGIDZDMF-SFQUDFHCSA-N	313.401	3.659	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(F)c1)C(=O)Nc1ccc(Cl)cc1	255541398	QHGLOUDZLNGSOX-XFFZJAGNSA-N	316.719	3.730	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	281714336	HZEQWXCFGBKCMO-HIFRSBDPSA-N	316.445	3.642	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNC(=O)c1c(Cl)cccc1Cl	285278637	JFNVFHXPAVQOAT-SECBINFHSA-N	317.216	3.581	50	20	DHGD	
O=C(Oc1cc(F)c([N+](=O)[O-])cc1Cl)OC1CCCC1	295825163	CIYIVWHBCIEIHM-UHFFFAOYSA-N	303.673	3.845	50	20	DHGD	
CCc1nocc1/C=C(/C#N)C(=O)Nc1c(C)cc(C)cc1C	491079796	BOWAAUVFMVBCRX-ZSOIEALJSA-N	309.369	3.708	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccccc2)c2c(c1)C[C@@H](C)O2	728438379	VZTBNTJBHBWMAV-LFMVTYOGSA-N	319.360	3.808	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1c(F)cccc1Cl	728775105	IEFDKKCILWIVEZ-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1cccc(C#N)c1)c1ccccc1	731931314	FCVNWAOZSFTSQO-SFHVURJKSA-N	305.381	3.592	50	20	DHGD	
CC(=NNC(=O)c1cccc(N(C)C)c1)c1cccc(C)c1C	734295405	XEZXUJKZJSGRBY-UHFFFAOYSA-N	309.413	3.523	50	20	DHGD	
C=CC[C@H](NC(=O)NNc1c(C)cc(C)cc1C)c1ccncc1	734678884	CRQRBXJPUNALSP-KRWDZBQOSA-N	324.428	3.950	50	20	DHGD	
Cn1cccc1C(=O)NN=C1CCCCc2ccc(Cl)cc21	735227201	NBJJPLYTJBUMDR-UHFFFAOYSA-N	315.804	3.539	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCc2ccc(C)cc2)cc1	735396491	DXXOFWGEYFJUJN-UYRXBGFRSA-N	305.377	3.996	50	20	DHGD	
CC(C)NC(=O)NN=Cc1ccc(-c2ccc(F)cc2)s1	745009473	SOXABALDHYFIEU-UHFFFAOYSA-N	305.378	3.596	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1ccc(-n2cccc2)cc1	748550050	XVPBGRLYTDTOAV-UHFFFAOYSA-N	323.371	3.611	50	20	DHGD	
CC[C@@H](CSc1ccccc1)NC(=O)NNc1ccccc1	752706195	DQOBDFAVTAOSNL-AWEZNQCLSA-N	315.442	3.884	50	20	DHGD	
Cc1ccc(CC(=O)NNc2c(F)cccc2F)c(Cl)c1	762538093	BKUMIAMIXLIANY-UHFFFAOYSA-N	310.731	3.612	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3ccccc3c3cccnc23)CC1	767159464	DRCKYHAGQXJHBF-UHFFFAOYSA-N	313.360	3.684	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2nc3ccccc3[nH]2)CC1	768494763	FWIYAZXYJFQWBL-UHFFFAOYSA-N	300.406	3.613	50	20	DHGD	
Cc1ccoc1/C=C(/C#N)C(=O)c1ccc(OC(F)F)cc1	776258950	BOJAHYABZVVBLA-WQLSENKSSA-N	303.264	3.979	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1cc(C)ccc1C	777418038	CVDUVOACXZPPSK-UHFFFAOYSA-N	300.427	3.711	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1cc(C)cc(C)c1	777418487	PVXMIYPDWMDRKO-UHFFFAOYSA-N	300.427	3.711	50	20	DHGD	
Cc1cc(C=NNC(=O)CCc2ccccc2)ccc1Cl	779771801	OLSHLHXSOLPOGU-UHFFFAOYSA-N	300.789	3.731	50	20	DHGD	
CC[C@@H](Cl)c1nc2c(-c3ccccc3)nsc2c(=O)[nH]1	780155437	KHIKUWIBGSPPGJ-SECBINFHSA-N	305.790	3.737	50	20	DHGD	
CC(C)CC[C@@H]1CCC[C@@H]1NS(=O)(=O)CCCCCl	780767979	AZKDDNYRFXYBGN-KBPBESRZSA-N	309.903	3.530	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)CCCCCC(C)C)c1	780796237	PDYFQYUVVPYJFD-UHFFFAOYSA-N	306.406	3.523	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CCC[C@H]1C1CCCC1	781078768	MUBWOPHYLLYGCX-QWHCGFSZSA-N	316.283	3.977	50	20	DHGD	
Cc1ccccc1[C@@H](C)OC(=O)/C(C#N)=C\c1ccc(O)cc1	784019405	FZJAVQRDJSRBFO-VQCBNXJZSA-N	307.349	3.912	50	20	DHGD	
O=C(CCCc1ccccc1)NN=Cc1cc2ccccc2[nH]1	788426868	BFNCVVQHYYMZGQ-UHFFFAOYSA-N	305.381	3.641	50	20	DHGD	
COc1cc(NNC(=O)/C=C/C2CCCCC2)ccc1Cl	790189969	WKJQOEXIVJNHTF-JXMROGBWSA-N	308.809	3.928	50	20	DHGD	
CSSCCNC(=O)c1cc(Cl)cc2cccnc12	791113262	AHUKKNWYSZCMBC-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@H]1C[C@H]1c1cccc2ccccc12	791215383	RYVAVMKSHIGQAO-ROUUACIJSA-N	317.392	3.790	50	20	DHGD	
CC1=C(C(=O)NNC(=S)Nc2ccccc2C(C)C)CCC1	792490457	JTCZNEHDXZIJPK-UHFFFAOYSA-N	317.458	3.628	50	20	DHGD	
Cc1csc(CC(=O)NN=C[C@H](c2ccccc2)C(C)C)n1	794488544	OZVYNYBKMDBBOR-HNNXBMFYSA-N	315.442	3.536	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C2CCC[C@@H]2CCF)c1C	794880529	QNCPXDQNEWWXOV-HUUCEWRRSA-N	320.408	3.703	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(F)c1)C(=O)c1ccc2ncccc2c1	794883776	DIDRVUGEWYIWDZ-OVCLIPMQSA-N	318.307	3.869	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccnn1-c1ccccc1OC	797405808	INCBDHZFBMDKIN-QAALXFNPSA-N	323.396	3.793	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2C(F)(F)F)cc1C#N	799293643	JIWQLBBSLBWTTK-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccc(C#N)cc2)cc(C)c1Cl	799517355	FJWOZSATRNRBJZ-UHFFFAOYSA-N	314.776	3.977	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc3ccccc3[nH]2)c(C)c1OC	806554661	XHAVAHFSHJKUBN-UVTDQMKNSA-N	319.364	3.953	50	20	DHGD	
COc1ccc(/C=C(\C)C(=O)NNc2ccc(C)cc2)cc1F	810044178	NQJBGJUJOIMWEI-JLHYYAGUSA-N	314.360	3.689	50	20	DHGD	
CCOC(=O)C(C)(C)CC(=O)NNc1c(C)cccc1C(C)C	812764955	PTCKUPJQJLZMHI-UHFFFAOYSA-N	320.433	3.541	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(Cl)cc1)c1cccc(O)c1	815004605	LKIZULWSMFIFQD-UHFFFAOYSA-N	303.749	3.591	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@@H]1CCc2c(Cl)cccc21	817010643	KQXAKYXPLOSBTN-LLVKDONJSA-N	322.195	3.562	50	20	DHGD	
CC[C@H](CC(=O)NNc1cc(C(F)(F)F)ccn1)C(C)C	832963263	UTWGQSFIESUBQJ-SNVBAGLBSA-N	303.328	3.616	50	20	DHGD	
CCC(CC)n1ccc(C(=O)NNc2c(C)cccc2Cl)n1	836934389	WJEQBAXUMCRPPE-UHFFFAOYSA-N	320.824	3.963	50	20	DHGD	
Cc1ccc(OCC(=O)NN=Cc2ccccc2C(C)C)cc1C	848400514	KEPYDOBPZWBJBJ-UHFFFAOYSA-N	324.424	3.956	50	20	DHGD	
CCc1nc([C@H](C)NC(=O)NNc2cc(F)ccc2C)cs1	853719163	UAYJNEHDTVTIEM-JTQLQIEISA-N	322.409	3.540	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(OC3CCC3)cc2)cc1F	856229278	FAHVULGLJTZKPD-UHFFFAOYSA-N	314.360	3.822	50	20	DHGD	
Cc1cccc(C(=O)NC[C@@]2(C)C[C@@H]2Br)c1Cl	857393574	LMGVVAMHDVXDCU-GXFFZTMASA-N	316.626	3.552	50	20	DHGD	
CC(C)[C@H](C(=O)NC[C@]1(C)C[C@H]1Br)c1ccccc1	857396346	BERGPGHGZDTXOK-YCPHGPKFSA-N	324.262	3.716	50	20	DHGD	
C[C@@H](NC[C@@H](CBr)C1CC1)c1ccc(C#N)cc1	859229959	QQOIFPAHSLDPHD-IAQYHMDHSA-N	307.235	3.630	50	20	DHGD	
Cn1nc(C(=O)NNc2ccc(C(C)(C)C)cc2)c2ccccc21	860685521	PYJNAMHMOFDOAC-UHFFFAOYSA-N	322.412	3.628	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2F)c(C2CC2)n1	885106756	HRPZXTOZSOLKFN-UHFFFAOYSA-N	319.767	3.817	50	20	DHGD	
C[C@H]1CCCCN1NC(=O)CCCC[C@H]1CCSS1	912155841	ILRWFTYJHJWSAH-STQMWFEESA-N	302.509	3.606	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N[C@@H]2CCC[C@H](C)C2)cc1	914482932	HBGLKJYPRQWHLN-MZJNGDHJSA-N	312.413	3.687	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)NCc1cc(C(C)C)no1	918776749	PTCYIUOIVAKPSE-UHFFFAOYSA-N	322.796	3.586	50	20	DHGD	
CC(=O)CCCCCCC(=O)OC[C@@]1(C)C[C@@H]1Br	1123142210	QFIUAGIIOUERTD-GXTWGEPZSA-N	319.239	3.633	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)[C@@H](C)CC1CCCCC1	1321623904	BHNNRCXAMUEQQJ-AWEZNQCLSA-N	317.433	3.754	50	20	DHGD	
CN(Cc1ccc(N(C)C)cc1)C(=O)C1CCC(Cl)CC1	1345548947	QOJQLEWXRTVBTP-UHFFFAOYSA-N	308.853	3.509	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1ccc(F)c(F)c1	3238033	TWGXDQAGKIRLOW-DXCDOMANSA-N	304.340	3.567	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)Nc2cccc(OC)c2)cc1	5712904	PTHISWQKNVSLBQ-RVDMUPIBSA-N	322.364	3.640	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cc(C)n(-c2ccc(Cl)cc2)c1C	7154436	JHMMNXAVEYGORO-NTEUORMPSA-N	314.772	3.828	50	20	DHGD	
CCC(C)(C)C1CCC(=NNC(=O)c2ccc(N)cc2)CC1	7943097	PSMXNNRMWBEYDQ-UHFFFAOYSA-N	301.434	3.981	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)Nc1ccc(Cl)cc1	83056773	JJTSZROAQAPHOI-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
COCc1ccccc1C(=O)NNc1cccc(C(F)(F)F)c1	103277295	NHHZAKXAKHLBHT-UHFFFAOYSA-N	324.302	3.609	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccnc3ccccc23)cc1Cl	106924938	XLXUOPIOSWGQBW-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CSc1ccsc1C(=O)NNc1ccc(F)c(F)c1F	107351473	SQUXORLVSBAQTE-UHFFFAOYSA-N	318.345	3.644	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2ccc(OCC(C)C)cc2)c1	109427983	ITXBDDVGFMVNFQ-UHFFFAOYSA-N	312.413	3.716	50	20	DHGD	
O=C(NNc1ccncc1)Nc1cccc(CCC(F)(F)F)c1	122166142	QJHSXUJXBBLLRB-UHFFFAOYSA-N	324.306	3.725	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)ccc2Cl)cc1	155330006	JXILUIROXAACOJ-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
COc1cccc([C@H](C)CC(=O)NNc2cc(C)cc(C)c2)c1	158881752	NYVKYMZKULDSST-OAHLLOKOSA-N	312.413	3.949	50	20	DHGD	
N#Cc1ccc(NC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	163418647	BRXDGHILNHQVJW-UHFFFAOYSA-N	320.274	3.726	50	20	DHGD	
CC(C)(C)c1ncsc1C(=O)NNc1cccc(Cl)c1	176498034	XICNRGKQBHIJKO-UHFFFAOYSA-N	309.822	3.851	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2ccc([N+](=O)[O-])c(O)c2)n1	176918264	RNIWHDUFULXCMI-WZUFQYTHSA-N	315.354	3.944	50	20	DHGD	
O=C(CCCc1cccs1)NNc1cccc2cnccc12	178503739	RFJCZECIEMYFQS-UHFFFAOYSA-N	311.410	3.762	50	20	DHGD	
CC(C)(CCCc1ccccc1)C(=O)NNc1ccnc(F)c1	182484573	XHDSGMDKUPSNSZ-UHFFFAOYSA-N	315.392	3.713	50	20	DHGD	
O=C(C[C@H]1C=CCCC1)NNc1ccc(OC(F)(F)F)cc1	187088439	NELAEAZRJDIIPO-NSHDSACASA-N	314.307	3.775	50	20	DHGD	
Cn1c(/C(C#N)=C/c2c[nH]nc2C(C)(C)C)nc2ccccc21	194573242	WQSOEYBNPQJHDG-FMIVXFBMSA-N	305.385	3.658	50	20	DHGD	
O=C(NNc1ncccc1F)C1CCC(c2ccccc2)CC1	286163280	ZIADTCNDINDWKL-UHFFFAOYSA-N	313.376	3.638	50	20	DHGD	
CC(=O)Nc1cccc(NNC(=O)CC2CCC(C)(C)CC2)c1	293926575	MNLOVMSSTGPIMJ-UHFFFAOYSA-N	317.433	3.695	50	20	DHGD	
CCc1cccc(CC)c1NC(=O)/C(C#N)=C\c1c(C)noc1C	490549321	HADOEDCBXQBQOX-YBEGLDIGSA-N	323.396	3.962	50	20	DHGD	
CCCCCC[C@@H](C)CC(=O)NNC(=O)c1ccccc1F	727660031	ZJHFRDUQLJNCOG-CYBMUJFWSA-N	308.397	3.583	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)c2ccco2)c1OC(F)F	732577612	OKSVVURSNMHGJJ-FLIBITNWSA-N	319.263	3.679	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccc(F)cc1F	733363053	KBKBMTNIUBXIKJ-HNNXBMFYSA-N	322.380	3.979	50	20	DHGD	
CC(C)Cc1ccc(CC(=O)NNc2c(F)cccc2F)cc1	735698810	VWGKZIOMWMBQHN-UHFFFAOYSA-N	318.367	3.849	50	20	DHGD	
CC(C)(CNC(=O)NNc1c(F)cccc1F)c1ccccc1	735757943	GTKZQINCFYCBRO-UHFFFAOYSA-N	319.355	3.569	50	20	DHGD	
CCCCCC[C@](C)(CCC)C(=O)NNC(=O)c1cccnc1	742465175	HMEGKFOXXNMONN-SFHVURJKSA-N	319.449	3.619	50	20	DHGD	
Cc1ccc(O[C@H](C)C(=O)NNc2c(C)cc(C)cc2C)cc1	743765145	GOAZRNOVIJYGEI-MRXNPFEDSA-N	312.413	3.831	50	20	DHGD	
CCc1ccc(C(C)=NNC(=O)CNc2ccc(C)cc2)s1	744662230	YKXGSHJFXVRONQ-UHFFFAOYSA-N	315.442	3.571	50	20	DHGD	
N#C/C=C(\c1ccc([N+](=O)[O-])cc1)N1CC[C@@H]1c1ccccc1	747619131	HVOIBRJDGOMDPI-WAFWZSCLSA-N	305.337	3.906	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1ccccc1F)CCc1ccccc1	749163897	BQIOHJQTOIEZIS-OAHLLOKOSA-N	312.388	3.739	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)C(=O)c1ccccc1F	760212048	TUQDBMYCAPUBIU-PTNGSMBKSA-N	317.323	3.801	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)cc1F)C(=O)c1c[nH]c2ccccc12	772805564	HFOKHPUPQDGSNA-RIYZIHGNSA-N	315.307	3.969	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cn1	775256796	QGXGPEQPOVBNRG-SECBINFHSA-N	303.328	3.616	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NN(c2ccccc2)c2ccccc2)CCC1=O	775463823	BSKLVPPNGQJGSN-JKSUJKDBSA-N	322.408	3.861	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)cc1F)c1cnc2ccccc2n1	790231860	ZFHAHEMGJVWONC-ZSOIEALJSA-N	300.296	3.705	50	20	DHGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1ccccc1Cl	790469524	ZQYPEPWEEVROHK-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1nc2cc(C(=O)NNc3ccc(Cl)cc3)ccc2o1	792651866	RMYPJWCRXWRKLH-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
CC(C)[C@H]1CCCC(=NNC(=O)c2cc(Cl)ccc2O)C1	794484603	VLZHAQZVSAIIGC-NSHDSACASA-N	308.809	3.978	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1cccc(F)c1	794781327	KNRRRNGLGCYOSV-UHFFFAOYSA-N	323.327	3.635	50	20	DHGD	
COc1cc(C(=O)NNc2c(C)cccc2C(C)C)ccc1O	794931162	YUSKPGJMQWPLPS-UHFFFAOYSA-N	314.385	3.590	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1cccc(C(F)(F)F)n1	795116005	DZYDRSWKCABHOI-CYBMUJFWSA-N	303.328	3.760	50	20	DHGD	
CC(C)(CC(=O)NNc1cccc(Cl)n1)c1ccccc1	817005039	BJPBXZOOCZGTAP-UHFFFAOYSA-N	303.793	3.546	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1c(Cl)c2ccccc2n1C	819843303	JTOHIKQGMMZZDB-UHFFFAOYSA-N	319.619	3.707	50	20	DHGD	
N#CC[C@H]1CCCN(Cc2ccc(OCCCCl)cc2)C1	826861871	LZBFXSBFNMDUEJ-OAHLLOKOSA-N	306.837	3.820	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967732	BGCVKWMNMKFBNF-PWSUYJOCSA-N	315.339	3.760	50	20	DHGD	
CC(C)c1ccc(NNC(=O)c2cc(C(C)(C)C)nn2C)cc1	837056979	UQNUSIXJWDYIEL-UHFFFAOYSA-N	314.433	3.598	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1Cc1csnn1	844350495	VVTZCQRPCNEASA-CYBMUJFWSA-N	313.543	3.524	50	20	DHGD	
C#CCC(C)(C)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846378088	BVHAPJQFVMQYLG-UHFFFAOYSA-N	318.726	3.851	50	20	DHGD	
CS[C@@H](C)C(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846379154	LKSGXKXFTWFHJU-LURJTMIESA-N	312.744	3.553	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cccc(C(F)(F)F)c1F	848082129	ZKVJSSYVUYPVQG-UHFFFAOYSA-N	318.097	3.720	50	20	DHGD	
C[C@H](OC(=O)CCCC[C@H]1CCSS1)c1nccn1C	851582431	YTSKYHIWGYWSNT-RYUDHWBXSA-N	314.476	3.738	50	20	DHGD	
COCC1(NC(=O)CCCC[C@@H]2CCSS2)CCCC1	855216466	CGIJGCOQAOIYGZ-CYBMUJFWSA-N	317.520	3.776	50	20	DHGD	
C=CCN(C(=O)CCCC[C@@H]1CCSS1)[C@H](C)COC	855370824	JHWNUKDBEZVRRJ-ZIAGYGMSSA-N	317.520	3.750	50	20	DHGD	
CC(C)(C)[C@@H]1C[C@H](NC[C@]2(C)C[C@H]2Br)CS1	857063036	HFPPQCPDVQWAPA-NOHGZBONSA-N	306.313	3.670	50	20	DHGD	
CC(C)Oc1ccc(C(=O)NNc2ccccc2Cl)cc1	912646439	AMKVXMAEWTXBSO-UHFFFAOYSA-N	304.777	3.884	50	20	DHGD	
CC(C)CC(CC(C)C)=NNC(=O)CNc1ccccc1F	915920072	MNOVOFAHMINIDN-UHFFFAOYSA-N	307.413	3.802	50	20	DHGD	
N#Cc1cccc(NNC(=O)N[C@@H]2CC[C@@H]3CCCC[C@@H]3C2)c1	916222564	BHSFQZUHHUXHKX-ARFHVFGLSA-N	312.417	3.543	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)Cc2c[nH]c3ccccc23)cc1C	916337663	GQEABTKLQIDWMX-UHFFFAOYSA-N	319.408	3.786	50	20	DHGD	
COc1cc(C(=O)NN=C[C@H]2CC=CCC2)ccc1OC(C)C	916348445	GQLPZXFZBVDEIR-AWEZNQCLSA-N	316.401	3.554	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1cc2ccccc2nc1Cl	916362168	SRNCOZYZNNUYIG-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc(Cl)ccc2OC)cc1	917542288	SDFKJELLWOYFNW-UHFFFAOYSA-N	316.788	3.675	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)c3ccc[nH]3)s2)cc1	920479027	IOHKMVQAMZATEQ-UHFFFAOYSA-N	309.394	3.816	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)c(C)c2)c(C2CC2)n1	928338360	GJMQSZPTCPSOQU-UHFFFAOYSA-N	315.804	3.986	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC3(CCCC3)CC2)cc1	1343570950	ANTNTZNZYOXHSU-UHFFFAOYSA-N	300.402	3.915	50	20	DHGD	
N#CC(C#N)=CNc1nnc(-c2ccccc2)c(-c2ccccc2)n1	7067104	HSHFOTFUBXZBSO-UHFFFAOYSA-N	324.347	3.549	50	20	DHGD	
Cc1[nH]c2ccc(C(=O)NNc3ccc(F)cc3F)cc2c1C	66325851	ZWPUAUHMNPHQQL-UHFFFAOYSA-N	315.323	3.820	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)NCCCCC(C)(C)C	103874787	VTXAOPOGTYEAQR-UHFFFAOYSA-N	320.437	3.547	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1nccc2ccccc12	106924948	XOBDTIZSMXTGLG-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cncc(-c2ccccc2)c1	119168020	NJGJSFDDUPLKFD-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cc2cc(F)c(F)cc2F)c(C)c1	128544193	XLYULROTSHFQAI-UHFFFAOYSA-N	322.330	3.715	50	20	DHGD	
Cc1cccc([C@@H](C)C(=O)NNc2ncc(Cl)cc2Cl)c1	132570604	GDSOFLIVXYFHJO-SNVBAGLBSA-N	324.211	3.944	50	20	DHGD	
CC[C@@H](C)[C@@H](C(=O)NNc1ccc(C#N)cc1)c1ccccc1	155709780	UKXYTUZKKNVGSG-RDTXWAMCSA-N	307.397	3.831	50	20	DHGD	
O=C(CCCc1cccs1)NNc1cc(F)c(F)c(F)c1	175480712	TZTIENQWVQQKPU-UHFFFAOYSA-N	314.332	3.631	50	20	DHGD	
C=C[C@@](C)(CCOC)C(=O)NNc1ccc(C(C)(C)C)cc1	188754700	JAAWVLGUVWBXCE-SFHVURJKSA-N	304.434	3.656	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C\c1ccc(N(CC)CC)cc1	192097756	UJIJWWKKTKVDAJ-LGMDPLHJSA-N	320.458	3.612	50	20	DHGD	
CC(C)(C)[C@@H]1CCCC[C@@H]1NS(=O)(=O)CCCCCl	228328793	IKQALHNWDPVSBI-OLZOCXBDSA-N	309.903	3.530	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)CSc1nc2ccccc2s1	254395515	UOCBOJOXLOCWBC-JTQLQIEISA-N	321.471	3.927	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccoc2C)ccc1OC	255129604	DJPVZDUNZXOVPE-ZROIWOOFSA-N	311.337	3.785	50	20	DHGD	
N#C/C(=C/c1cnc2ccccn12)C(=O)Nc1ccc(Cl)cc1	255398322	PSDXNXMCTMCSNA-XFXZXTDPSA-N	322.755	3.533	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	263706917	VLPCOYFXHXKDLT-IGVUGNCQSA-N	309.369	3.607	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)c2)cnn1C1CCCCC1	272940476	RXYQVDXAAZZWOV-UHFFFAOYSA-N	316.380	3.593	50	20	DHGD	
Cc1nc(C2CC2)ccc1C(=O)NNc1ccccc1Cl	295277364	IPJOPNIXLKTZRK-UHFFFAOYSA-N	301.777	3.678	50	20	DHGD	
Cc1ncccc1C(=O)NN=C(c1ccccc1)c1ccccc1	303244664	AINDLNYFMLGDQE-UHFFFAOYSA-N	315.376	3.572	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C/c1ccc(F)c(C#N)c1	490783607	RNPKZJPAOVDYMD-OQLLNIDSSA-N	305.312	3.551	50	20	DHGD	
CC(CSC(C)(C)C)=NNC(=O)COc1ccc(C)c(C)c1	729633574	OTNDCMYFAPAKHS-UHFFFAOYSA-N	322.474	3.706	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cccc3ncccc23)o1	730146316	PVKPPHLDBSNYPJ-LRDDRELGSA-N	319.364	3.715	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(/C=C(/C#N)C(=O)N(C)c2ccccc2)o1	732804620	SQZSKJJGMLAIPX-RTSVQFOCSA-N	306.365	3.973	50	20	DHGD	
Cc1ccc(NC(=O)NN=Cc2cccc(C#N)c2)c(Cl)c1	741765609	IFEVOKCONUKIKC-UHFFFAOYSA-N	312.760	3.676	50	20	DHGD	
C[C@@H](Cc1ccccc1)C(=O)NNc1cccc2c1CCCC2	748578114	ZTKXUIVWIVFFKW-HNNXBMFYSA-N	308.425	3.887	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C[C@@H](C)CCc2ccccc2)cc1	749157441	ZWMPIYSDMDHSFX-KRWDZBQOSA-N	323.440	3.778	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)CCC(C)(C)c1ccccc1	753905435	LRYKSRWIDMOAEV-UHFFFAOYSA-N	324.424	3.514	50	20	DHGD	
O=C(NNc1ccccc1OC(F)(F)F)c1ccoc1Cl	765513281	JHJKCZCZMHEEAW-UHFFFAOYSA-N	320.654	3.589	50	20	DHGD	
Cc1ccc(NC(=O)[C@@H](Br)C(C)(C)C)c(C)c1O	768262989	HUFPSPBRIPJCBU-GFCCVEGCSA-N	314.223	3.757	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)N[C@@H](C)CCc1ccccc1	771286377	HWSNTYHJIHOGNF-AWEZNQCLSA-N	315.392	3.782	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C)c(OC)c2)c1	772176279	LMHQMADBSUFJCI-SXGWCWSVSA-N	307.349	3.802	50	20	DHGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C[C@H]1CC=CCC1	773092703	BIRFIKVRTQAODK-OLZOCXBDSA-N	306.793	3.566	50	20	DHGD	
N#C/C(=C\c1cccc(C(=O)O)c1)c1ccc2ccccc2n1	774120144	TWYNPVYMMODWNG-LFIBNONCSA-N	300.317	3.997	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(C(=O)O)c3)[nH]c12	774129955	HXKLWOOSRIBLSM-ZROIWOOFSA-N	303.321	3.634	50	20	DHGD	
CO[C@@H]1CCC[C@@H]1CNC(=O)CCCC[C@H]1CCSS1	775245930	QOTLGGCSJRPVBL-HZSPNIEDSA-N	317.520	3.632	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1ccc(Br)c(C)c1	780516276	LXYWIDMQHRWZSP-GXSJLCMTSA-N	313.239	3.883	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2ccc(C)cc2C)c1	786056197	NFWQYPAQQDVEDH-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1ccccc1SC	790854175	RCDQOYMYCIPFCK-SNVBAGLBSA-N	316.517	3.780	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)c1ccc(SC)cc1	790855007	VLSYGXPJBOEFNC-JTQLQIEISA-N	316.517	3.780	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNC(=O)c1ccc2ccccc2c1	793106544	YSEAGSSVWVWDIY-LJQANCHMSA-N	312.413	3.817	50	20	DHGD	
N#C/C(=C/c1ccc2occc2c1)C(=O)c1ccc2c(c1)OCO2	794689408	BDKDZJAXZBPSIW-NVNXTCNLSA-N	317.300	3.951	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(N(CC)CC)cc1	797336385	CGQUNUIOXIAVGV-SAPNQHFASA-N	313.445	3.746	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1CCCCCC1	798142415	LDMOCCSSZUSRRN-UHFFFAOYSA-N	310.829	3.667	50	20	DHGD	
CC(C)n1cnc(C(=O)NNc2ccc(Cl)cc2Cl)c1	798983263	KRRQRCCKEOYYOX-UHFFFAOYSA-N	313.188	3.528	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@H](C)CC(C)C)o1	799110623	YKMBZMLUWNPMQN-CQSZACIVSA-N	307.438	3.519	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2nccnc2C2CCC2)cc1	805461888	QXDZXXHKBNYRBD-UHFFFAOYSA-N	324.428	3.799	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1cc(F)ccc1Cl	815856733	YJWTVTYUJHLAOW-UHFFFAOYSA-N	318.657	3.653	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cc(C(F)(F)F)ccn1)C(C)C	832968501	MUAGJMHDRSAUFM-LLVKDONJSA-N	303.328	3.616	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1c(C)cccc1OC)c1ccccc1	834957639	MUOJFAZALLRSGH-INIZCTEOSA-N	310.397	3.648	50	20	DHGD	
C=C[C@@H]1OCCC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	836883968	ZLVZSMLVLQIRCS-MCIONIFRSA-N	315.504	3.550	50	20	DHGD	
CN(NC(=O)[C@@H](c1ccccc1)c1ccc(Cl)cc1)C1CC1	854983737	RNGMHYBWMIDWLX-KRWDZBQOSA-N	314.816	3.597	50	20	DHGD	
O=C(OC[C@H](CBr)C1CC1)c1cccc(F)c1F	859537930	SMTIZLVWPZIPAJ-VIFPVBQESA-N	319.145	3.543	50	20	DHGD	
O=C(NNc1ccc(OCc2ccccc2)cc1)[C@@H]1CC12CCC2	862519134	TWPXKXJMUMWFIS-SFHVURJKSA-N	322.408	3.899	50	20	DHGD	
CCC[C@H]1C[C@@H](C(=O)NNc2cc(Cl)ccc2C)CCO1	885126626	CJFOQPRUPQVZDL-JSGCOSHPSA-N	310.825	3.687	50	20	DHGD	
CCn1c(C)cc(C(=O)NNc2ccc(F)cc2Cl)c1C	885135733	MBBACWABMIXGQG-UHFFFAOYSA-N	309.772	3.674	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1ccc(F)c(Cl)c1	915941392	NBDYQJQHNQYVBI-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(C#N)c1	915942726	QEGWWPCLXGDRFN-UHFFFAOYSA-N	321.424	3.615	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C[C@H]2CC=CCC2)c1C	916336463	GFLSUDIKDMYADT-CVEARBPZSA-N	300.402	3.529	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)CC(F)(F)F	917551929	MMHNUDGIVBVHCO-UHFFFAOYSA-N	300.324	3.700	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@H](C)C2CC2)c1C	920030733	ZQGNPYDZPIHJIE-SGPNVBEDSA-N	313.445	3.584	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(C)c(Cl)c2)C1	1116873692	GDOKWQLKUCBPGA-OCCSQVGLSA-N	310.825	3.687	50	20	DHGD	
O=C(CCl)NC[C@@H]1CC2c3ccccc3C1c1ccccc12	1336910705	YXYCYANDFUKKBS-YTRMGSRMSA-N	311.812	3.639	50	20	DHGD	
CC(C)n1cc([C@H](C)NC(=O)c2cccc(CCl)c2)cn1	1337076058	JIQUQVSLKIUGFJ-LBPRGKRZSA-N	305.809	3.694	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H](C)C2CCCCC2)cccc1C(=O)O	1600052852	VMUQHABILFKEOW-GFCCVEGCSA-N	318.417	3.743	50	20	DHGD	
Cc1nc(/C(C#N)=C\c2ccc(/C=C\C(=O)O)o2)sc1C	1777489376	BTSVMBZSXVGNAL-FUVGTJSASA-N	300.339	3.515	50	20	DHGD	
CC(C)Oc1cccc(/C=C(\C#N)C(=O)NCc2ccccc2)c1	6828257	SXMYBIUEYCOFRC-WOJGMQOQSA-N	320.392	3.697	50	20	DHGD	
Cc1csc(NC(=O)NNc2ccc(Cl)cc2Cl)n1	49209238	WVMUQMANWBRTMZ-UHFFFAOYSA-N	317.201	3.907	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C\c2cc(C)ccc2C)cc1	96669460	NXZJUFYZIYUGDX-WQRHYEAKSA-N	311.406	3.950	50	20	DHGD	
CC(C)Sc1cccc(Cl)c1/C=C(/C#N)S(C)(=O)=O	170605439	QOHYSAQBAKIDTJ-YFHOEESVSA-N	315.847	3.750	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2OC(F)(F)F)cc1	182585652	IKAILRHKVJSBFC-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
Cc1ccc(-c2ccc(C(=O)NNc3ccc(C#N)cc3)s2)o1	183301500	LVUBNHZSKOJNQP-UHFFFAOYSA-N	323.377	3.945	50	20	DHGD	
ICCN1CCCCC[C@@H]1c1ccco1	190902606	GVQHDQNSNKRYJE-LLVKDONJSA-N	319.186	3.632	50	20	DHGD	
COc1ccccc1C=NNC(=O)c1cccc2ccccc12	254493560	VIXXDANDVJOMHL-UHFFFAOYSA-N	304.349	3.612	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H]1CCCC(F)(F)C1	282886993	YYSIVEFPDAAVOB-ZDUSSCGKSA-N	319.355	3.812	50	20	DHGD	
CC(C)=CCC[C@H](C)NC(=O)c1c(C)nn(CCCl)c1C	295703239	VRAHPJOJBJNYHJ-LBPRGKRZSA-N	311.857	3.603	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1cccc(C)c1	730146522	ZQZOYJOBNRRCFS-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1nccs1	732622897	YSZKMCAPOUVFGG-UHFFFAOYSA-N	314.197	3.604	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2c[nH]c3ccccc23)o1	732761656	LMRUCMNQFIOVID-RISCZKNCSA-N	307.353	3.648	50	20	DHGD	
O=C(NN=C1CCC[C@H]1Cc1ccccc1)c1ccccc1O	735609050	MBOKEBMTRLOMBE-HNNXBMFYSA-N	308.381	3.521	50	20	DHGD	
C[C@@H](CCNC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745791719	CBPKWNOIDSOETM-LBPRGKRZSA-N	318.808	3.555	50	20	DHGD	
O=C(NN=C1CCc2ccccc2C1)c1cc2c(s1)CCC2	745843307	FTFJIEWXSXLNRT-UHFFFAOYSA-N	310.422	3.512	50	20	DHGD	
Cc1ccc([C@H](C)C(=O)NNc2cccc(Br)c2)o1	748020693	NKWWZZYGDUPBLP-JTQLQIEISA-N	323.190	3.597	50	20	DHGD	
CC(C)c1ccc(C=NNC(=O)CC2CCCC2)cc1[N+](=O)[O-]	749450671	ZLGNDORYGPXQSQ-UHFFFAOYSA-N	317.389	3.749	50	20	DHGD	
Cc1ccnc(NNC(=O)C2(c3cccc(Cl)c3)CCC2)c1	755856020	JFNLFUJMUPVXTF-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
CC(C)[C@@H](c1ccccc1)N(C)CCI	759359908	LDFVZGMEELOOJY-ZDUSSCGKSA-N	317.214	3.751	50	20	DHGD	
C[C@@H]1N(C(=O)CCCC[C@@H]2CCSS2)CCOC1(C)C	763704855	RTKIANKPBPKSBR-QWHCGFSZSA-N	317.520	3.726	50	20	DHGD	
CCn1nc(/C=C(\C#N)C(=O)c2ccoc2C)c2ccccc21	769724040	DTTVKUVTYMCWRQ-JLHYYAGUSA-N	305.337	3.748	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)OC[C@H](C)CBr	770405479	KBXGQEVMWPXMKN-DGCLKSJQSA-N	321.255	3.689	50	20	DHGD	
CCCCn1ncc(NC(=O)NNc2c(C)cccc2F)c1C	771178787	IPXUZSBIZBBKIM-UHFFFAOYSA-N	319.384	3.588	50	20	DHGD	
O=C(NN=Cc1cc(F)cc(C(F)(F)F)c1)c1ccccc1	772829901	FBJWTYUETOQAIK-UHFFFAOYSA-N	310.250	3.608	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc(O[C@H](C)C#N)cc2)ncn1	773173491	ROELDYNQUZDPOH-AISSWFOISA-N	322.393	3.554	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2cnc3cccc(C)n23)ccc1[N+](=O)[O-]	774558118	JVONKOMLFOEKTG-DHDCSXOGSA-N	318.336	3.924	50	20	DHGD	
CC(=NNC(=O)c1cc2c(s1)CCCCCC2)[C@H]1CCCO1	783810765	PHDQFNDTLOPSRE-CQSZACIVSA-N	320.458	3.692	50	20	DHGD	
Cc1ccccc1C[C@@H](C)NC(=O)/C(C#N)=C\c1ccc(F)cc1	785357028	BNZZHCJGWKCPAJ-PWDRBQJJSA-N	322.383	3.789	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccncc1)c1ccc(C(F)(F)F)cc1	788929805	ZTENXNFQHOGESM-NSHDSACASA-N	321.302	3.620	50	20	DHGD	
CSSCCNC(=O)COc1cc(C)ccc1C(C)C	791114204	XKYUABBSRDGAAS-UHFFFAOYSA-N	313.488	3.625	50	20	DHGD	
C[C@@]1(C=NNC(=O)c2ccc(Cl)cc2Cl)CCCS1	792944407	RPZRNRRAIZUDCH-ZDUSSCGKSA-N	317.241	3.995	50	20	DHGD	
Cc1cccnc1[C@@H]1CCCC(=NNC(=O)c2ccccc2)C1	799104822	GDZZRBQCJFERCK-MRXNPFEDSA-N	307.397	3.834	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1c(C)cc(C)cc1O	799881734	RMTKGWOAALFBHN-UHFFFAOYSA-N	322.364	3.909	50	20	DHGD	
Cc1cc(C)nc(C(=O)NNc2c(Cl)cccc2Cl)c1	801170825	VQXCNBSYGQUHDM-UHFFFAOYSA-N	310.184	3.762	50	20	DHGD	
O=C(/C=C\C1CCCCC1)NNC(=O)Nc1ccc(Cl)cc1	802017539	QOBMWCXNYLWUGM-WDZFZDKYSA-N	321.808	3.629	50	20	DHGD	
CCCCCCC(=O)NNC(=O)Nc1ccc(C)cc1Cl	802048423	QMMKAPVYYGCSRM-UHFFFAOYSA-N	311.813	3.772	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)c1cccc(C(F)F)c1	805380611	SZHRDJLDANPLFB-UHFFFAOYSA-N	321.283	3.598	50	20	DHGD	
CC(C)(C)c1ccc2[nH]cc(C=NNC(=O)c3ccccn3)c2c1	811629376	YJXUTMVYYVSCQD-UHFFFAOYSA-N	320.396	3.624	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N[C@H]1CCc2ccc(F)cc21	813443711	HZOPQYYVATZREZ-MXHVWWQHSA-N	324.330	3.675	50	20	DHGD	
O=C(NN=C1CC[C@@H]1C1CC1)c1ccc(COc2ccccc2)o1	814761771	BWYBKWILLSKOQW-MRXNPFEDSA-N	324.380	3.764	50	20	DHGD	
Cc1ccncc1CNCc1ccc(OCCCCl)cc1	824910645	ZCMHMBJXQHKUEK-UHFFFAOYSA-N	304.821	3.688	50	20	DHGD	
C[C@@]1(C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)CCCCO1	839303394	OGKODIWDTJLEPD-KRWDZBQOSA-N	315.325	3.613	50	20	DHGD	
CO[C@@H]1CCCC[C@H]1NC(=O)CCCC[C@@H]1CCSS1	846454162	FMUVVFUVMYRZOW-MGPQQGTHSA-N	317.520	3.774	50	20	DHGD	
Cc1ccc(CN2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)cn1	852523974	MZLCFFWRJRVPAC-INIZCTEOSA-N	306.526	3.986	50	20	DHGD	
Cc1cccnc1CN1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	852524124	GQFNLLUFUQPKMZ-HNNXBMFYSA-N	306.526	3.986	50	20	DHGD	
CCCCC1CCC(C(=O)NNC(=O)NC2CCCCC2)CC1	871190421	IDZDTBWVNMGNGR-UHFFFAOYSA-N	323.481	3.646	50	20	DHGD	
Cc1ncccc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912580442	QZHSICNSIIUMGQ-AWEZNQCLSA-N	320.509	3.626	50	20	DHGD	
COc1ccc2c(c1)CCCC2=NNC(=O)Nc1ccccc1C	915971710	JOAVCSSOTVXNHY-UHFFFAOYSA-N	323.396	3.866	50	20	DHGD	
C[C@H](C1CC1)n1cc(NC(=O)c2cccc(CCl)c2)cn1	1120637688	VTBBFKKZTCUSRV-LLVKDONJSA-N	303.793	3.845	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@]23CCC[C@@H]2C3)C1	1149157086	YQLQJJZPWQWWHW-JKIFEVAISA-N	309.526	3.799	50	20	DHGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)c2ccccc2C)c1C	1248407137	CSUMYYPCPJZCNE-PDGQHHTCSA-N	322.408	3.850	50	20	DHGD	
C=C[C@](C)(CCOC)C(=O)NNc1cc(Cl)ccc1Cl	1255474621	UKIWTTIRMVWBRC-CQSZACIVSA-N	317.216	3.665	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)CCNc2ccccc2)cc1	1323610589	NGHIXOLRTDREPZ-UHFFFAOYSA-N	311.429	3.929	50	20	DHGD	
O=C(Nc1c[nH]nc1-c1ccccc1F)C1CCC(Cl)CC1	1528356290	NWUJFVUCDCHLGQ-UHFFFAOYSA-N	321.783	3.952	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cc(C(=O)O)c(Cl)s2)o1	1777433625	LFPWUDZVBJEXCD-YWEYNIOJSA-N	321.741	3.791	50	20	DHGD	
CCCC1CCC(=NNC(=O)c2ccc(OC)c(OC)c2)CC1	6039491	NWDQLQLPGBCLKH-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
N#C/C(=C\c1ccccc1OC(F)(F)F)C(=O)NC1CCCC1	14178665	WLNAFOWQTMKSIF-FMIVXFBMSA-N	324.302	3.551	50	20	DHGD	
CCOc1ccc(C=NNC(=O)c2ccc(Cl)cc2)cc1	16780009	GJNNXAMSBRLSMR-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
Cc1nc(-c2cccs2)sc1C(=O)NNc1ccccc1	72728048	NKIWGTHGSIFNRG-UHFFFAOYSA-N	315.423	3.937	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1cn(C)nc1-c1ccccc1	92844233	UAXWSEJNOHEGAZ-XNTDXEJSSA-N	317.348	3.778	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N(C)C(C)C)c1C	121515366	CZGCCCHBNSSDST-BOPFTXTBSA-N	301.434	3.679	50	20	DHGD	
Cc1cscc1C(=O)NNc1cc(C(F)(F)F)ccc1F	128836555	IBSFUICLMSDIHS-UHFFFAOYSA-N	318.295	3.971	50	20	DHGD	
CC[C@@H](OC1CCCCC1)C(=O)NNc1ccc(F)cc1F	131241909	PRRHPKKSWABHNH-OAHLLOKOSA-N	312.360	3.536	50	20	DHGD	
Cc1ccsc1C(=O)NNc1ccccc1Br	153378213	RYTWQJGTERJVBT-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccccc2Br)c1	153643137	JKSCFKBGWGZADU-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H]2C[C@H]2c2cccc(F)c2F)c1	159311172	WVDIEKVBRGLOER-UONOGXRCSA-N	316.351	3.828	50	20	DHGD	
O=C(NNc1ccc(F)cc1)c1c[nH]cc1-c1ccc(F)cc1	173032299	VOEZMAYJDFYQEI-UHFFFAOYSA-N	313.307	3.717	50	20	DHGD	
CCCN(N=Cc1cccc2c[nH]nc12)C(=O)OC(C)(C)C	496750347	WGAKQMUBNXXAAA-UHFFFAOYSA-N	302.378	3.544	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cc(C(F)(F)F)ccc1F	733203978	FTJNDIAYDZGJNV-UHFFFAOYSA-N	316.298	3.875	50	20	DHGD	
CC(C)[C@H]1CCC[C@@H](NC(=O)NNc2c(F)cccc2F)C1	735760213	SGWAXQGZEXMQSE-NWDGAFQWSA-N	311.376	3.806	50	20	DHGD	
CC[C@@H]1CCC[C@@H](NC(=O)NNc2cc(F)c(F)cc2F)C1	741091255	FEZQTJGRAMKUPD-NXEZZACHSA-N	315.339	3.699	50	20	DHGD	
Cc1cccc(NNC(=O)CCc2c[nH]c3cc(C)ccc23)c1	745989279	PCFMYXZOZDWXPV-UHFFFAOYSA-N	307.397	3.861	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)c2cc(-c3cccs3)[nH]n2)C[C@H](C)C1	747766817	YWTRYJPJBJCROG-PHIMTYICSA-N	316.430	3.680	50	20	DHGD	
CCO[C@H](CC(=O)NNc1ccc(Cl)cc1Cl)C(C)C	748009244	GYQOFRXSHRUIJA-CYBMUJFWSA-N	319.232	3.888	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C2CCC(C)(C)C[C@@H]2C)c1	748243845	GFOBBMVLAJZWMC-LBPRGKRZSA-N	318.417	3.636	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2ccc(F)c(Cl)c2Cl)o1	761811842	WHFKPNVBGAPBBQ-UHFFFAOYSA-N	315.131	3.798	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(F)cn1	763835262	YCIRZCWFZMGCLY-CYBMUJFWSA-N	314.451	3.551	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)c1cccc2ccsc12	768300132	PNKGTRWPFXQZIQ-UHFFFAOYSA-N	313.338	3.566	50	20	DHGD	
CC(C)[C@@H](CC(=O)NNc1nc2ccccc2[nH]1)c1ccccc1	768496721	RNPGKURLTVRQGE-OAHLLOKOSA-N	322.412	3.836	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1cccc(Br)c1	769605625	LYJHWZZWUGEYNU-QWRGUYRKSA-N	311.223	3.719	50	20	DHGD	
CSc1ccccc1CC(=O)NNc1c(F)cccc1Cl	770201735	BNNJFTWSWXYJEZ-UHFFFAOYSA-N	324.808	3.887	50	20	DHGD	
C=CCN(Cc1ccc(OC)cc1)C[C@H](C)CBr	770647936	NFNBTALSTVCJOK-CYBMUJFWSA-N	312.251	3.714	50	20	DHGD	
Cc1cc(/C(C#N)=C/c2cnc3cccc(C)n23)ccc1[N+](=O)[O-]	774558119	JVONKOMLFOEKTG-OQLLNIDSSA-N	318.336	3.924	50	20	DHGD	
C[C@@H]1CC[C@@H](CC(=O)NNc2ccccc2OC(F)(F)F)C1	779201425	ZAGPUZWPHUKUCR-GHMZBOCLSA-N	316.323	3.855	50	20	DHGD	
CC[C@@H](OC(=O)/C(C#N)=C\C1CC1)C(=O)c1ccc(Cl)cc1	786678875	HMZBDLHTSHGAIG-UZGISAJGSA-N	317.772	3.704	50	20	DHGD	
CC(=NNC(=O)c1ccc[nH]1)[C@@H]1C[C@H]1c1ccc(Cl)s1	788422934	OKKDPAWWEDMZTN-VHSXEESVSA-N	307.806	3.639	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(F)cc2C)ccc1Cl	790178247	UHTVODHSNNWWKJ-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1c1ccccc1C	790876603	QYHVHDPRRDRUQS-CQSZACIVSA-N	310.488	3.853	50	20	DHGD	
CSSCCNC(=O)N1CCC2(CCCCC2)CC1	790877009	UTISLBLOMPTRGI-UHFFFAOYSA-N	302.509	3.754	50	20	DHGD	
CSSCCNC(=O)Cc1c(Cl)cccc1Cl	791116091	GWSUQVPRYGLGMM-UHFFFAOYSA-N	310.271	3.663	50	20	DHGD	
C=C(CBr)CN1CCC[C@H]1Cc1ccc(F)cc1	791449373	RUWZTBHFLRLWDZ-HNNXBMFYSA-N	312.226	3.784	50	20	DHGD	
Cc1nc2c(C(=O)NNc3c(F)cccc3Cl)cccc2o1	791716633	VNVUDDLCHJCJFE-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
C=C(CBr)COC(=O)c1sccc1C(C)C	795467884	FMWATQHZCYJOMF-UHFFFAOYSA-N	303.221	3.979	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNC(=O)Nc1ccccc1	801990209	ZPAFUAJWWHIXNR-HNNXBMFYSA-N	317.433	3.836	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1Cl	805383340	XRJNFGRIWCEXRT-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
COc1ccc(-c2nc(/C(C#N)=C(/C)N)sc2C)cc1Cl	806553366	NJMZVPDOIFLWEO-FLIBITNWSA-N	319.817	3.994	50	20	DHGD	
CCCN(N=C1C[C@@H](OCC)[C@H]1SC)C(=O)OC(C)(C)C	807987376	IXHTUPFLOCOTPJ-OLZOCXBDSA-N	316.467	3.530	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCCc1ccco1	813030357	KFGUJFPUHYESAU-UHFFFAOYSA-N	301.390	3.580	50	20	DHGD	
O=C(NN=C1CCCc2sccc21)c1ccc2ccccc2n1	814681979	FBEAQCMTDUIFMB-UHFFFAOYSA-N	321.405	3.767	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)NNc1ccc2ccccc2n1	815969378	QWVJUNNEJSPQMS-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
C=C[C@@H](CC(=O)NNc1ccc(OCC)cc1)c1ccccc1	817895812	HOKUSOPTJCIQHD-HNNXBMFYSA-N	310.397	3.888	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@@H](CC)CC(F)(F)F)cc1	832862571	ZUJZIIVCYPWGPU-JTQLQIEISA-N	304.312	3.507	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)OC[C@H]1CCCCC1(F)F	837563172	WHQGCKWIXDBZRN-KADHNRKRSA-N	321.323	3.668	50	20	DHGD	
Cc1noc([C@@H](C)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	852522477	JSTRXZUICMVUPZ-YPMHNXCESA-N	311.502	3.535	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)Cc1cccc(OC(C)C)c1	855367016	LFNPXWRURXBATD-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(F)c1Cl)C(=O)[C@H]1CCCOC1	863189967	JZAXEUBCAZIJEK-LKJZUNMESA-N	311.715	3.521	50	20	DHGD	
CN(N=Cc1ccc(OC(F)F)cc1F)C(=O)OC(C)(C)C	872345453	XQLYLRYOSZQCLT-UHFFFAOYSA-N	318.295	3.628	50	20	DHGD	
CCC(=O)NN=Cc1ccc(N(CC)Cc2ccccc2)cc1	915916538	IKRKYMOSYYQFGI-UHFFFAOYSA-N	309.413	3.573	50	20	DHGD	
CC(=NNC(=O)C(C)C)c1ccc(OCc2ccccc2)cc1	916328874	WWPAUYLWHUDINZ-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CCC(=NNC(=O)[C@@H](C)Oc1ccc(F)cc1)c1ccccc1	916340524	WZBZTRAXVJDZEX-CYBMUJFWSA-N	314.360	3.524	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccc(Cl)cc1C)c1ccncc1	920177270	HDRNBHUZSMYSIE-CQSZACIVSA-N	318.808	3.821	50	20	DHGD	
CC(=NNC(=O)c1ccc(Br)cc1)c1ccc(C)o1	1317703419	ITVCVHYGTPIGRT-UHFFFAOYSA-N	321.174	3.505	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC/C=C/C2CC2)c1C	1326370311	JKNWPJJCONQSSV-YADWXFRQSA-N	311.429	3.504	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C#N)cc2F)cc1	11388311	IMUSCUMKMUSOMX-CAOOACKPSA-N	320.323	3.656	50	20	DHGD	
O=C(Nc1nccs1)NN(Cc1ccccc1)c1ccccc1	42755425	LMJXUOHDPVAIIT-UHFFFAOYSA-N	324.409	3.886	50	20	DHGD	
Cc1ccccc1NC(=O)/C(C#N)=C\c1cc(F)c(F)c(F)c1	76106288	IOZOEXUBPQFXQW-SDQBBNPISA-N	316.282	3.958	50	20	DHGD	
C=C[C@H](CC(=O)NNc1ncccc1Cl)c1ccccc1	89491781	FWCRKMUHTBXFAY-GFCCVEGCSA-N	301.777	3.538	50	20	DHGD	
O=C(NNc1ncccc1Cl)C1(c2ccc(Cl)cc2)CC1	114886314	ONUBUHKILZWSDO-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnn(CCC(C)C)c2C)c1	118959232	ZQUNZMZSBOPDCL-UHFFFAOYSA-N	314.433	3.611	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cnn(C(C)(C)C)c1	128023389	IPUROZBCXCLSGU-SXGWCWSVSA-N	322.412	3.801	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2ccc(F)cc2C)cc1	161049153	MQCGKCXFDPRGHV-UHFFFAOYSA-N	315.392	3.737	50	20	DHGD	
COc1ccccc1CN(C)/C(=C/C#N)c1ccc([N+](=O)[O-])cc1	176982301	TWTXUQYXKAEFLS-GZTJUZNOSA-N	323.352	3.600	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	191763630	QORUFXCXFMLGNT-UITAMQMPSA-N	323.723	3.658	50	20	DHGD	
C#CCOc1ccccc1/C=C(/C#N)C(=O)c1ccc(F)cc1	255371755	UCRLNLPJVIIYDP-VBKFSLOCSA-N	305.308	3.628	50	20	DHGD	
N#C/C(=C/c1cccc(C(F)(F)F)c1)C(=O)Nc1nccs1	255765262	AJSBCBXZEAEGJR-POHAHGRESA-N	323.299	3.708	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C[C@H]1CCO[C@H](C(C)C)C1	281883667	XLXAGRPQNZHXCI-RDJZCZTQSA-N	318.461	3.842	50	20	DHGD	
CC(C)(C)Oc1ccc(NC(=O)NNc2ncccc2F)cc1	286919410	BFFFQWSFXFOXBM-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)c1cc2cc(Cl)ccc2o1	725847655	OWXYIWGLODCVKD-UHFFFAOYSA-N	315.760	3.579	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](C)c1ccc(SC(C)C)cc1	728853935	DPADMYBZINQBOX-LKKYZFDUSA-N	318.442	3.808	50	20	DHGD	
CC(CCc1cccc(F)c1)=NNC(=O)Cc1ccccc1F	731316902	NZUOKSPIRAFMDF-UHFFFAOYSA-N	316.351	3.632	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N(C)C2CCCCC2)ccc1F	732716576	VSNOTIPLBNMLCC-PTNGSMBKSA-N	300.377	3.832	50	20	DHGD	
C[C@@H]1CC[C@@H](C)N1CC(=O)NN(c1ccccc1)c1ccccc1	746111684	DZPBYIARQOWRMJ-IAGOWNOFSA-N	323.440	3.729	50	20	DHGD	
O=C(CCCCCc1ccc(O)cc1)NNc1ccc(F)cc1	749188637	NAKCWIQUJSWTJM-UHFFFAOYSA-N	316.376	3.778	50	20	DHGD	
N#C/C=C(/c1ccc([N+](=O)[O-])cc1)N1CCc2ccccc2CC1	750048059	YLPFLKBPUMKMKJ-OCKHKDLRSA-N	319.364	3.560	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]1c1ccccc1)c1cc2c(s1)CCC2	755531882	QESXZVHWBHOZHN-CABCVRRESA-N	310.422	3.756	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNC(=O)CC2CC2)c(C(C)C)c1	755685624	ACKCEJGHDJASCZ-UHFFFAOYSA-N	317.433	3.886	50	20	DHGD	
C#CCCCCNC(=O)NN(Cc1ccccc1)c1ccccc1	758885647	JIGJKDCSVPSEBW-UHFFFAOYSA-N	321.424	3.711	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2c(Cl)nc(Cl)n2C)cc1	764917449	STCNWCNXEZKBGF-XFFZJAGNSA-N	320.179	3.825	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CC[C@H](C)[C@@H](C)C1	767387226	YNSJIACDRJPAHR-STQMWFEESA-N	320.458	3.716	50	20	DHGD	
COc1ccc(NNC(=O)c2ccc(-c3ccco3)s2)cc1	767957627	IUXWXYBVEZMZKQ-UHFFFAOYSA-N	314.366	3.774	50	20	DHGD	
Cc1cc(C)c(NC(=O)[C@@H](Br)C(C)(C)C)cc1O	768445963	FHHMJSGAYQGMLU-GFCCVEGCSA-N	314.223	3.757	50	20	DHGD	
Cc1ccc(OCC(=O)NNc2c(F)cccc2Cl)c(C)c1	770198487	UFFCYNKHXLWHOU-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
CC(C)[C@@]1(C)C[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccc1F	775887367	OHMHVLQEPRPVPI-QMTHXVAHSA-N	318.314	3.970	50	20	DHGD	
CC[C@H](C)[C@@H](C)C(=O)NNc1cc(C(F)(F)F)ccc1F	780671851	YGCVZUHIZWZPDZ-DTWKUNHWSA-N	306.303	3.970	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1ccccc1Br	786680145	VNENXDWQIQRORR-ZDIKFAODSA-N	320.186	3.913	50	20	DHGD	
Cc1cccnc1NNC(=O)CCc1ccc(Cl)cc1Cl	791213736	OCCNYDLNPNEVLG-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccncc1Cl	791713022	AQPMHXBNKQZLCB-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC[C@@H](CC(C)C)C2)n1	794488163	JQVSMIDPEXXOJS-ZDUSSCGKSA-N	307.463	3.703	50	20	DHGD	
CC[C@@H](CC(=O)NNc1nccnc1C1CCC1)c1ccccc1	805463165	LOSUAYBZLXOOBS-AWEZNQCLSA-N	324.428	3.771	50	20	DHGD	
COC[C@H](C)OC(=O)/C(C#N)=C/c1ccc(C2CCCC2)cc1	812240775	ROPXXQPSMSHHDM-BGARDKSCSA-N	313.397	3.829	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1F)c1ccc([N+](=O)[O-])cn1	812244660	LZPMZJZGOBNJMG-BJMVGYQFSA-N	303.680	3.846	50	20	DHGD	
CC[C@H]1C[C@@H](C(=O)NNc2c(C)cccc2C(C)C)CCO1	812766569	RVKVCLISIOYHDD-GJZGRUSLSA-N	304.434	3.767	50	20	DHGD	
CCCCCCCCC(=O)NNc1nc2ccccc2n1C	816577023	SEBDLEJZEUDJJY-UHFFFAOYSA-N	302.422	3.767	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC/C=C/c1cccnc1	816739059	VFBGCWKPYAXCBT-CSPWOOARSA-N	322.499	3.925	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@]2(CCSC2)C1	832510736	CYAQGCHUAYDXFP-ZSUDGLGESA-N	302.418	3.909	50	20	DHGD	
O=C(CC1CCCCC1)NNc1cc(C(F)(F)F)ccn1	832956933	DNAQVXBQGLCSKI-UHFFFAOYSA-N	301.312	3.514	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	833612171	RYTKQCCWQGHQFQ-QWRGUYRKSA-N	324.808	3.698	50	20	DHGD	
O=C(CCC1CC1)NNc1ccc(Cl)c(C(F)(F)F)c1	846379803	QSJNBJWAFBDRIT-UHFFFAOYSA-N	306.715	3.992	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)CSc1ccccc1O	853350229	FFKNKSZZCOWGSR-CYBMUJFWSA-N	318.442	3.723	50	20	DHGD	
C[C@@H](C(=O)OC[C@H](CBr)C1CC1)c1cccs1	859562828	MTSQBEFKJYWDOB-KOLCDFICSA-N	317.248	3.816	50	20	DHGD	
CCOC(=O)c1[nH]c(C)c(/C=C(\C#N)C(=O)C(C)(C)CC)c1C	863190372	UAURSMCZRAGGSJ-UKTHLTGXSA-N	316.401	3.721	50	20	DHGD	
COc1c(CNC(=O)C2CCC(Cl)CC2)oc2ccccc12	1123822835	LJRBUCBJBDMKAG-UHFFFAOYSA-N	321.804	3.855	50	20	DHGD	
O=C(NN=CCCc1ccc(F)cc1)c1c[nH]c2ccccc12	1322772355	DFYPETVFMDIHKP-UHFFFAOYSA-N	309.344	3.655	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045350	YMBUWFMXJYYMMF-LBPRGKRZSA-N	319.405	3.955	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(O)c(Cl)c2)c1	67006224	INNPAEQJBQLSLV-QPEQYQDCSA-N	313.740	3.844	50	20	DHGD	
CN(Cc1cccn1C)C(=O)CCCC[C@@H]1CCSS1	158277026	YBJWHYHIWQKCRI-CQSZACIVSA-N	312.504	3.698	50	20	DHGD	
CCN(c1ccccc1)c1ccc(CNC=C(C#N)C#N)cc1	172881486	HXYPOWFXNCZXNM-UHFFFAOYSA-N	302.381	3.865	50	20	DHGD	
N#CCc1cccc(C(=O)NNc2ccc(Cl)cc2Cl)c1	178874483	ZRCJPCSKEHPFDJ-UHFFFAOYSA-N	320.179	3.816	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NNc1ccc(Cl)cc1Cl	178875376	TZFWWNMUEYIMBF-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
COc1cc(C(=O)NNc2ccc(F)cc2C)ccc1Cl	179489315	WJSFHMKEZKXREP-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc([N+](=O)[O-])s2)s1	180712645	FLOLSMGCFYJEFR-RMKNXTFCSA-N	304.352	3.816	50	20	DHGD	
Cc1ccc(F)cc1/C=C(/C#N)C(=O)N[C@H](C)c1ccccc1	182051027	VWSUZDJIYQOOEX-AYCSXLNKSA-N	308.356	3.919	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C/c1cnn(Cc2ccc(F)cc2)c1	186973032	WOTOJAWWTNNMIR-LZYBPNLTSA-N	311.360	3.593	50	20	DHGD	
Cn1c(/C(C#N)=C/c2cc(F)c(O)c(F)c2)nc2ccccc21	254999037	WMHSSJSQFYTRPA-IZZDOVSWSA-N	311.291	3.621	50	20	DHGD	
O=C(/C=C\c1ccc2ccccc2n1)NNc1cccc(F)c1	255067227	OMHZFFXARXFAJJ-KHPPLWFESA-N	307.328	3.530	50	20	DHGD	
C#CCCOc1ccc(/C=C(\C#N)C(=O)Nc2ccccc2)cc1	255526755	DDTPGEZOYZSOQY-SAPNQHFASA-N	316.360	3.634	50	20	DHGD	
C[C@H](c1ccco1)N(C)C(=O)[C@@H](Br)C(C)(C)C	272594540	JERVEOKEDGKAQR-MWLCHTKSSA-N	302.212	3.609	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)/C=C\c1cccs1	588391713	LIIZDLNIJAGBGB-HJWRWDBZSA-N	309.394	3.761	50	20	DHGD	
COc1ccccc1CN(C)C[C@@H](CBr)C1CC1	701859507	SDHHCBXFODMZMM-CQSZACIVSA-N	312.251	3.548	50	20	DHGD	
CC[C@@H](C)Oc1cc(C=NNC(=O)CC(C)(C)C)ccc1OC	728428911	MWPMCIJIMUEHAR-CYBMUJFWSA-N	320.433	3.759	50	20	DHGD	
CCOc1cccc(C=NNC(=O)c2ccc(Cl)cc2)c1	728695209	NZSCBAXKZNGOQY-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CCC(CC)CNS(=O)(=O)c1ccc(CCCCl)cc1	729489632	QDBQHESQEGYPFU-UHFFFAOYSA-N	317.882	3.573	50	20	DHGD	
CCCC(=NNC(=O)COCC)c1ccc(Cl)c(Cl)c1	731154624	VNWQWRCJLNNKRS-UHFFFAOYSA-N	317.216	3.650	50	20	DHGD	
Cc1ccc(CCC(=O)NNc2ncccc2Cl)cc1Cl	734246825	XKEHYLUCVPLPPY-UHFFFAOYSA-N	324.211	3.773	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1cccc(-c2ccncc2)c1	741452134	YSLYSENBDJEORZ-UHFFFAOYSA-N	311.385	3.997	50	20	DHGD	
CC(=NNC(=O)N(C)C)c1ccc(Cl)c(Cl)c1Cl	745605671	WGWQARDTHRZUKS-UHFFFAOYSA-N	308.596	3.642	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccc(F)cc1Br	748074223	UQRXABICPLMCJI-CLFYSBASSA-N	315.186	3.778	50	20	DHGD	
Cc1cc(C)cc(OCCC(=O)NNc2ccc(F)cc2C)c1	748552149	ZVRPNTLEQFOBCD-UHFFFAOYSA-N	316.376	3.663	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc([C@H]2C[C@@H]2C)o1	748571767	OSYMSIRHQSCPJM-NHYWBVRUSA-N	316.376	3.926	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)c1ccc(F)cc1	748729965	FHJWSBHRBYDMGW-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
N#Cc1cccc(NNC(=O)Nc2ccc(-c3ccc[nH]3)cc2)c1	752791363	STEPSOTTZQKOIQ-UHFFFAOYSA-N	317.352	3.702	50	20	DHGD	
C=C(C)[C@@H](CC(=O)NNc1cc(Cl)ccc1Cl)OCC	756012201	HGOYCUTUTUPJFD-CYBMUJFWSA-N	317.216	3.808	50	20	DHGD	
O=C(/C=C/c1cccnc1)Oc1ccc([N+](=O)[O-])c2ccccc12	757421209	GOBUGLHZPAMTFH-JXMROGBWSA-N	320.304	3.762	50	20	DHGD	
Cc1ccc(NNC(=O)c2[nH]c(-c3cccc(C)c3)nc2C)cc1	757781721	BWMKSSQPVUXKGG-UHFFFAOYSA-N	320.396	3.759	50	20	DHGD	
CSCc1ccccc1NC(=O)NNc1cccc(C#N)c1	760076151	ONRYPWQHRYXLEA-UHFFFAOYSA-N	312.398	3.570	50	20	DHGD	
CC[C@H]1C[C@H](C)CCC1=NNC(=O)c1c(C)nc2ccccn12	769567106	MPUNGZBTNKXKBD-OCCSQVGLSA-N	312.417	3.575	50	20	DHGD	
Cc1ccc(NC(=O)[C@@]23CC[C@@H](C[C@@H]2Br)C3)c(C)n1	769978929	SPSZCVYTDCUMLN-CORIIIEPSA-N	323.234	3.591	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)c1ccc(C(C)(C)C)cc1	772854406	SSDVNISTQSZCBI-UHFFFAOYSA-N	312.417	3.654	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccc([N+](=O)[O-])c(OC)c2)ccc1C	773142849	GUHMROPQVYBOJO-OVCLIPMQSA-N	324.336	3.985	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2nc3ccccc3cc2C)c1	777482606	MDJBUKMLPJTUTO-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CC1(C)CC[C@H](C(=O)NNc2ccccc2C(F)(F)F)C1	781552254	ROEPSAVYTSGPFG-JTQLQIEISA-N	300.324	3.975	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)C2CCCC2)c2c(c1)C[C@H](C)O2	781554330	MTFDQBDGVFNLET-LUMBYOQCSA-N	311.381	3.685	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(Cl)cc2)s1)C(F)F	782235824	JSNPCUGAULTMJK-UHFFFAOYSA-N	314.744	3.784	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1ccc(OCCC)cc1	792635886	KXBLMJJWIKTAFI-FOWTUZBSSA-N	307.415	3.555	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccn1)c1cc2ccccc2o1	794914259	GGMUELYFLWAKIC-CQSZACIVSA-N	319.364	3.881	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)N[C@@H]1CCCc2occc21	799545977	HDBPYGKFLUMXEC-OAHLLOKOSA-N	313.401	3.854	50	20	DHGD	
O=C(CCc1ccccc1)NN=C1CCC[C@@H](c2cccnc2)C1	799878365	VMKAFVMAIKMCGO-QGZVFWFLSA-N	321.424	3.844	50	20	DHGD	
CCCC[C@H](C)C(=O)NNc1ccc(OC(F)(F)F)cc1	800520776	NXZIDUKMMYIILY-JTQLQIEISA-N	304.312	3.855	50	20	DHGD	
Cc1c(C(=O)NCC(Cl)Cl)sc2cccc(F)c12	808131512	XVUNNCLAKJWWHM-UHFFFAOYSA-N	306.189	3.882	50	20	DHGD	
N#C/C(=C\c1cccc(OC(F)F)c1)c1ccc([N+](=O)[O-])cn1	812245971	ZSTLWMOGNMXVLJ-IZZDOVSWSA-N	317.251	3.655	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	833560166	BYKIDGYNIRCRJK-SNVBAGLBSA-N	324.808	3.698	50	20	DHGD	
CC[C@H](CC(=O)NNc1ncc(F)cc1F)c1ccc(C)cc1	837206017	HUEXRCUNHDUXLG-GFCCVEGCSA-N	319.355	3.695	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)NC1CCSCC1	838110732	VGPRSOHFFNVJIN-UHFFFAOYSA-N	320.245	3.515	50	20	DHGD	
O=C(CC1CCCC1)NNc1cc(F)ccc1Br	839880110	ADKBHHDUQAPLQN-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CCCc1occc1C(=O)NNc1ncnc(Cl)c1C(C)C	840545763	NTFJNGBZJVYCRN-UHFFFAOYSA-N	322.796	3.556	50	20	DHGD	
O=C(NNc1ccc(Cl)c(C(F)(F)F)c1)[C@@H]1CCSC1	846378933	PKCGUGVZHQOXCN-SSDOTTSWSA-N	324.755	3.555	50	20	DHGD	
CCC(CC)C(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387474	IRVHRIMHFOSQJF-UHFFFAOYSA-N	324.837	3.738	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	901471776	SXCQAUSIRXFJGQ-RIYZIHGNSA-N	303.333	3.525	50	20	DHGD	
Cc1cncc(C(=O)N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)c1	912579588	BXPZQXOGQMBWOX-HNNXBMFYSA-N	320.509	3.626	50	20	DHGD	
N#C/C(=C/c1csnn1)C(=O)c1c(Cl)cccc1Cl	915989807	NTALZGMDHPHYIG-DAXSKMNVSA-N	310.165	3.635	50	20	DHGD	
CC(C)C(=O)NN=Cc1sc(Nc2ccccc2)nc1Cl	916327403	ASGGHYGXMSXHEI-UHFFFAOYSA-N	322.821	3.646	50	20	DHGD	
Cc1cccc(O[C@H](C)C(=O)NN=C/C=C\c2ccccc2)c1C	916336710	NFYCVDZRXFKYLS-ADFAJSGMSA-N	322.408	3.886	50	20	DHGD	
Cc1csc(CC(=O)NN=C(CC(C)C)c2cccs2)n1	917540749	BUJGCSFBOYQTTH-UHFFFAOYSA-N	321.471	3.622	50	20	DHGD	
COC(=O)NN=C(C)CCc1ccc(OCC=C(C)C)cc1	920361833	ZQJSJOYJINCLML-UHFFFAOYSA-N	304.390	3.696	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)CC2CCCCC2)o1	1116067809	CXAVSBCKCJTVBP-GFCCVEGCSA-N	318.421	3.719	50	20	DHGD	
C=CC(=O)Nc1cc(NC(=O)C2CCC(Cl)CC2)ccc1F	1346667685	FNKCRPYNIHRCJS-UHFFFAOYSA-N	324.783	3.686	50	20	DHGD	
CCOc1ccccc1NC(=O)/C(C#N)=C\c1cccc(C)c1	6951611	OQQKQQFXQTUHFV-VBKFSLOCSA-N	306.365	3.939	50	20	DHGD	
O=C(Cc1ccccc1F)NNc1ccccc1C(F)(F)F	45481124	NYDUVAPIDFJCSK-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(F)c(F)c2F)cc1Cl	103274238	OSEMTBAXRAODCX-UHFFFAOYSA-N	314.694	3.823	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccc(F)cc1F	116446908	VEFSLNTYLXIMTI-LBPRGKRZSA-N	304.340	3.910	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1cccc(Cl)c1	120603121	LURHLYHJYCRWPW-UHFFFAOYSA-N	306.797	3.655	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(-c3ccccc3)s2)cc1	122420194	QNKPZSIHMYFQGG-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
COCCn1c(C)cc(/C=C(/C#N)C(=O)C2CCCCC2)c1C	128905782	QVWOQCPPJRLEGS-PDGQHHTCSA-N	314.429	3.808	50	20	DHGD	
Cc1cccc(OCCCCC(=O)NNc2ccc(C#N)cc2)c1	155298142	DWRQWSVSZOSACA-UHFFFAOYSA-N	323.396	3.559	50	20	DHGD	
COc1cc(F)cc(NNC(=O)CC(C)(C)c2ccccc2)c1	156219555	BSEXQHDAWOHEPZ-UHFFFAOYSA-N	316.376	3.645	50	20	DHGD	
CC(C)(C(=O)NNc1ccncc1Cl)c1ccc(Cl)cc1	159000461	AMGSEOGTLCTIRC-UHFFFAOYSA-N	324.211	3.809	50	20	DHGD	
CC(C)(Oc1cccc(Cl)c1)C(=O)NNc1ccc(F)cc1	172000917	YUJQBXAGAUOVAM-UHFFFAOYSA-N	322.767	3.780	50	20	DHGD	
C[C@H](CCc1cccc(F)c1)C(=O)NNc1c(F)cccc1F	173747479	VDHBEXDEDBSAMU-LLVKDONJSA-N	322.330	3.816	50	20	DHGD	
COc1ccsc1C(=O)NNc1ccc(Cl)cc1Cl	178881765	INJVYEOAPIOWMI-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
O=C(NNc1ccccc1F)c1cc2cc(F)ccc2s1	178901647	NZLQRPVVLJIGNP-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ccccc3Cl)cc2n1	178978210	MQZWTPATRBHQJG-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccccc1OC1CCCC1	180683637	BBUJNFIUFDRWHE-UHFFFAOYSA-N	312.373	3.552	50	20	DHGD	
Cc1ccc(CN(C)C(=O)/C(C#N)=C\c2ccc(F)cc2)s1	182623341	NWIMTZNEXAUUAP-ZROIWOOFSA-N	314.385	3.761	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2Cl)c2ccccc2n1	192842507	DULDCXUFBFZJMZ-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCOC2(CCCCC2)C1	255568154	VAFRMSUYJXPHPF-CAOOACKPSA-N	300.377	3.725	50	20	DHGD	
CC(C)(C)Oc1ccc(C(=O)NNc2cccc(Cl)c2)nc1	292399322	IJJSYJDZPMEOEJ-UHFFFAOYSA-N	319.792	3.669	50	20	DHGD	
CO[C@H]1CCCN(Cc2ccc(OCCCCl)cc2)CC1	368219444	BDODTIIIJQWBDY-INIZCTEOSA-N	311.853	3.695	50	20	DHGD	
CCc1nc(CN(C)C(=O)c2cccc(CCl)c2)cs1	393321259	LOPHKDHIIZMBCX-UHFFFAOYSA-N	308.834	3.717	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)/C=C\c1nc2ccccc2s1	492998311	PAFFTXLGPIXJMI-SREVYHEPSA-N	315.225	3.572	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1cc(Cl)c(OC)c(OC)c1	726429031	CMEPQMKZQREDDW-GWHHBTOMSA-N	307.777	3.879	50	20	DHGD	
O=C(NNc1nccc2sccc12)c1ccc2ccccc2n1	734248249	JQSPROOAGQYNKC-UHFFFAOYSA-N	320.377	3.601	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)C(C)(C)c1ccccc1	735249276	VEPVJVUMASVIIJ-HNNXBMFYSA-N	318.461	3.718	50	20	DHGD	
C[C@H]1CCC[C@@H](CC(=O)NNC(=O)c2cccc3ccccc23)C1	741582441	XWDRBPVOHPPFFO-LSDHHAIUSA-N	324.424	3.817	50	20	DHGD	
CCC(=NNC(=O)c1cn(C)c2ccccc12)c1ccc(F)cc1	744782736	ZUENABVASIFTSN-UHFFFAOYSA-N	323.371	3.862	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1[nH]c2ccccc2c1Cl	748089118	CFMPIMKZPRRINB-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
CCOc1cccc(C(C)=NNC(=O)CCc2ccccc2)c1	749745022	NVUSBEVRIZMOAG-UHFFFAOYSA-N	310.397	3.558	50	20	DHGD	
Cc1[nH]c2ccc(Cl)cc2c1C=NNC(=O)CC(F)(F)F	752725970	CXQUDSSBXROGNJ-UHFFFAOYSA-N	317.698	3.532	50	20	DHGD	
CCSCc1cccc(NC(=O)NNC(=O)CC(C)(C)C)c1	756737423	GKFICLMDPDDGQV-UHFFFAOYSA-N	323.462	3.529	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)Nc1ccc([N+](=O)[O-])cc1F	758334370	FXVKWNPOXRRNNH-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@H](C)SCc2ccccc2)c1	760136877	IZKPBYKMIZWVFC-ZDUSSCGKSA-N	318.417	3.899	50	20	DHGD	
CCC1(C(=O)NNc2cc(F)c(F)cc2F)CCCCC1	764267168	AAUAACUREBOWBZ-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1sccc1O	769775022	NMZPVFJCYVUIEH-UHFFFAOYSA-N	324.405	3.690	50	20	DHGD	
Cc1ccc(F)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C	777871191	YPAQWENEYZZRFP-TWWDRGBLSA-N	300.377	3.736	50	20	DHGD	
C=C(C)CN(C)CCP(=O)(c1ccccc1)c1ccccc1	778232416	WEKVWLVDLKOCQF-UHFFFAOYSA-N	313.381	3.508	50	20	DHGD	
CC1(C(=O)NNC(=O)c2ccc3ccccc3c2)CCCCC1	780393698	JHRZSWWQZJOYNH-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
CC(C)[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc(N(C)C)c1	785449913	RYMRBCDHFFYIEP-RHSMWYFYSA-N	315.461	3.931	50	20	DHGD	
Cc1ccc(-c2cnc(COC(=O)/C(C#N)=C/C3CC3)o2)cc1	786680571	LAQVMTORRUNSIT-OVCLIPMQSA-N	308.337	3.553	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(C1CCCCC1)C1CC1	787156147	BBPQJKIVHOOJPI-NTCAYCPXSA-N	310.397	3.623	50	20	DHGD	
CC1(C)CN(C(=O)/C(C#N)=C/c2ccc(O)cc2)CC(C)(C)C1	787528017	BPMVBMMQXFFPSM-OQLLNIDSSA-N	312.413	3.584	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cnc(-c2ccc(Cl)cc2)s1	789127764	OWZSBZORUPDWTL-POHAHGRESA-N	304.758	3.543	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1nccn1-c1ccccc1	790210202	LAGFGMFNVYQRRT-KAMYIIQDSA-N	303.321	3.564	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ncccc1C)c1cccc(Cl)c1	791023562	ZPZRHVIJYAMMKB-CQSZACIVSA-N	318.808	3.821	50	20	DHGD	
CSSCCNC(=O)c1ccc(Cl)c2cccnc12	791100691	VQTIWQQQHBJFTH-UHFFFAOYSA-N	312.847	3.629	50	20	DHGD	
CC(C)[C@@H](C=NNC(=O)c1ccc(C#N)cc1)c1ccccc1	794501431	FIVAFIVQHZGUIO-GOSISDBHSA-N	305.381	3.714	50	20	DHGD	
Cc1cccc(C(=O)NN=Cc2ccc(Oc3ccccc3)o2)n1	794565267	FPHIJPRWXLBOIF-UHFFFAOYSA-N	321.336	3.539	50	20	DHGD	
N#C/C(=C\c1ccc(C#N)s1)C(=O)c1ccc2ncccc2c1	794881756	DFDVEDADJLYJQT-NTEUORMPSA-N	315.357	3.958	50	20	DHGD	
N#C/C(=C\c1ccc(OCC(F)F)cc1)C(=O)c1ccoc1	798230508	QWGYFPHOFGDTFB-NTUHNPAUSA-N	303.264	3.713	50	20	DHGD	
CSc1cccc(F)c1C(=O)NNc1c(C)cccc1F	798991544	BFAOMLRHWYGZHY-UHFFFAOYSA-N	308.353	3.752	50	20	DHGD	
C=CCC[C@H](C(=O)NNC(=O)Nc1ccccc1)c1ccccc1	801989445	TZPBJOPBOGLVJR-KRWDZBQOSA-N	323.396	3.589	50	20	DHGD	
O=C(NNc1ncccc1F)c1ccc(-c2ccccc2)cc1	804220200	PJCUFTJCDZNISG-UHFFFAOYSA-N	307.328	3.645	50	20	DHGD	
CCCOc1ccc(CCC(=O)N(C)CC(Cl)Cl)cc1	808245397	BORFUWFILXBTQL-UHFFFAOYSA-N	318.244	3.670	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2C(F)F)cc1C	812242613	SITDKELTNBIETJ-NTUHNPAUSA-N	315.323	3.764	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)c1ccccn1	813030606	NJPFPURPBQTIEU-AWEZNQCLSA-N	312.417	3.901	50	20	DHGD	
CC(C)(C(=O)NN=C1CCC[C@@H]1C(C)(C)C#N)c1ccccc1	814841578	FGVYCSQHBFEURM-HNNXBMFYSA-N	311.429	3.786	50	20	DHGD	
CC(=NNC(=O)CC1CC1)[C@H](C)c1nc2ccccc2s1	814990385	OCRJNAQPWOEDAV-JTQLQIEISA-N	301.415	3.692	50	20	DHGD	
Cc1cncc(CCC(=O)NNc2c(C)cccc2C(C)C)c1	816781996	FZENOIRNEHYAOP-UHFFFAOYSA-N	311.429	3.898	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc(Cl)c(Cl)c1	817009098	UPYQEJOZRXBINM-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@@H](Br)C(C)(C)C)CC1(C)C	817218693	IVCXVXCTVIDMBT-MNOVXSKESA-N	304.272	3.689	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@H](Br)C(C)(C)C)CC1(C)C	817218694	IVCXVXCTVIDMBT-QWRGUYRKSA-N	304.272	3.689	50	20	DHGD	
CCOc1ccc(NNC(=O)C[C@@H](C)c2cccc(F)c2)cc1	817885812	NWJWKEZRNJCHTD-CYBMUJFWSA-N	316.376	3.861	50	20	DHGD	
C[C@@]1(C(=O)NNc2ccccc2OC(F)(F)F)CC=CCC1	829949481	SVQPFFDGXRNZJQ-CQSZACIVSA-N	314.307	3.775	50	20	DHGD	
N#Cc1cccc(NNC(=O)[C@H]2CCC[C@H]2Cc2ccccc2)c1	830767020	UPEMEFKKHYIIPT-HKUYNNGSSA-N	319.408	3.660	50	20	DHGD	
COc1cc(NNC(=O)N[C@H](C2CCC2)C2CC2)ccc1Cl	838745980	WFWHFRCGZOLBJR-OAHLLOKOSA-N	323.824	3.553	50	20	DHGD	
CC(=O)CCCC(=O)NNc1ccc(Cl)c(C(F)(F)F)c1	846380351	WHIQZOIDHVTSOW-UHFFFAOYSA-N	322.714	3.561	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2cccc(N)c2)C1	852524760	OUOXRTDASSZZES-MRXNPFEDSA-N	306.526	3.865	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(C)c(F)c2)c(C(C)C)n1	856232087	PNMMWVHFDHMBSK-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccc(Cl)cc2)C[C@H]1Br	856811141	KJPPQDHRBADHLC-PWSUYJOCSA-N	317.614	3.635	50	20	DHGD	
CC[C@@H](NS(=O)(=O)CCCCCl)c1cc(C)ccc1C	859366906	RSBTYMFBRCVUOB-OAHLLOKOSA-N	317.882	3.693	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1cc(Cl)ccc1F	871271690	VOPJJLPRHNCURZ-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
N#C/C(=C/c1c[nH]c2ccc(C(=O)O)cc12)C(=O)C1CCCCC1	899363315	BAEAABCQVAJCDJ-ZSOIEALJSA-N	322.364	3.922	50	20	DHGD	
C[C@@H](O)CN(C)N=Cc1cccc(S(F)(F)(F)(F)F)c1	905478348	GKJCGBIDCRMUAO-SECBINFHSA-N	318.311	3.991	50	20	DHGD	
CC(CCc1ccccc1)=NNC(=O)c1cc2c(s1)CCC2	916315462	UFHNYRQAFINAKW-UHFFFAOYSA-N	312.438	3.975	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N(Cc1ccc(O)cc1)CC1CC1	1263768648	AVKIZIZKGYFMIT-UHFFFAOYSA-N	321.848	3.928	50	20	DHGD	
CCO/C=C(/C#N)c1nnc(-c2cc3c(s2)CC[C@H](C)C3)o1	1326050157	RLXUZIDKTDJDPJ-JMZICWNOSA-N	315.398	3.824	50	20	DHGD	
Cc1cccnc1[C@@H](C)NC(=O)NNc1c(C)cccc1Cl	1346474813	MESVGLQAZIOCOC-GFCCVEGCSA-N	318.808	3.739	50	20	DHGD	
O=C(Nc1ccc(-c2csnn2)cc1)C1CCC(Cl)CC1	1527482182	FXXUIOQIRRVQTC-UHFFFAOYSA-N	321.833	3.941	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccccc2)c(OC)c1OC	14150645	MZTSHUDEWKGNBB-RVDMUPIBSA-N	323.348	3.502	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)s1)C(=O)NCCc1ccccc1	14177361	XAEKOUIHNMYBQR-JLHYYAGUSA-N	316.813	3.667	50	20	DHGD	
C=CCC(CC=C)C(=O)NNc1ccccc1Br	153448113	MODBYYIFFJDGRK-UHFFFAOYSA-N	309.207	3.661	50	20	DHGD	
Cc1ccc(NNC(=O)c2sc(C)cc2OC(F)F)cc1	158661267	BDTMVEUETASPNW-UHFFFAOYSA-N	312.341	3.723	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2c[nH]c3c(C)cccc23)c1	158977644	PMZVDXOQEBEBFF-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2c[nH]c3cccc(C)c23)c1	159186141	QNGLXCOIAUKPLX-UHFFFAOYSA-N	307.397	3.779	50	20	DHGD	
C[C@H](Cc1cccc(F)c1)C(=O)NNc1cccc2cnccc12	178527261	QOZUXCXFWUPFPW-CYBMUJFWSA-N	323.371	3.696	50	20	DHGD	
CC/C(=C\C(=O)NNc1ccc(C#N)cc1)c1ccc(C)cc1	178937734	DNVZCCIUDVOWCE-FOWTUZBSSA-N	305.381	3.803	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)c1nc(-c2ccncc2)cs1	179739384	WPCBDSLYPZWEDK-MDWZMJQESA-N	321.409	3.565	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1)C(=O)c1ccccc1OC(F)F	183403435	IRUGYVHXMRDCEV-XYOKQWHBSA-N	315.275	3.783	50	20	DHGD	
C[C@@H]1CCc2[nH]c3ccc(C(=O)N4CC=C(C#N)CC4)cc3c2C1	272484609	ACPRWSZSMHDGLX-CYBMUJFWSA-N	319.408	3.589	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1cccc(NC(C)=O)c1)C(C)C	294020026	VPLPGZYZIXAAOR-QGZVFWFLSA-N	319.449	3.941	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C2(c3cccnc3)CCCC2)c1	365969327	IELYCIBZVKKUAX-UHFFFAOYSA-N	309.413	3.654	50	20	DHGD	
O=C(/C=C\c1ccc[nH]1)NNc1c(Cl)cc(F)cc1Cl	491961888	JYKNTVOCUXQLCP-ARJAWSKDSA-N	314.147	3.617	50	20	DHGD	
O=C(/C=C/c1cccnc1)NNc1cc(Cl)cc(Cl)c1	493512305	FQXWBZRQEBQQAW-ONEGZZNKSA-N	308.168	3.545	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1C	588597114	OUTRXMYUINPINW-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(C)ccc2F)cc1	734981201	ORLVAOKAWLPOIT-MHWRWJLKSA-N	315.369	3.781	50	20	DHGD	
CCSCC[C@H](C)NC(=O)NNc1ccc(Cl)c(F)c1	746771813	IRCXDEGJTTZCGN-VIFPVBQESA-N	319.833	3.637	50	20	DHGD	
CC[C@H](Nc1ccccc1)C(=O)NNc1cccc2c1CCCC2	748580924	OBPFQOKYPMLCFA-SFHVURJKSA-N	323.440	3.899	50	20	DHGD	
CC(=NNC(=O)CC1CCCC1)c1ccc(OC(C)C)cc1	749449262	FAOLMXGFFXHRPR-UHFFFAOYSA-N	302.418	3.894	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cc(Br)cs1	749449802	LLKCQLSDEPRPKP-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
Cc1cccc2c1CCN2C(=O)/C(C#N)=C/c1ccc(F)cc1	751724748	BUKSVNIFOLKJMA-RVDMUPIBSA-N	306.340	3.630	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(Cl)c1)c1cccc(Cl)c1	755527222	SKCYJOLDDGTYEF-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
O=C(NN=C/C=C\c1ccc(F)cc1F)NC1CCCCC1	758074343	UALJTCWYICYSEY-QCWRGINGSA-N	307.344	3.596	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)c2ccccc2F)cnc1Cl	760210212	KRWHPFROPQCMTE-KPKJPENVSA-N	300.720	3.972	50	20	DHGD	
Cc1ccc(C#N)cc1NC(=O)[C@@H](Br)C(C)(C)C	767919081	CHDASPYMLDGXDY-GFCCVEGCSA-N	309.207	3.615	50	20	DHGD	
CC(C)c1ccc(NC(=O)NNc2cnccn2)c(C(C)C)c1	769948694	FSOMCCLPEOFRQP-UHFFFAOYSA-N	313.405	3.872	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCc2ccc(C)cc2C)cc1	770996229	MXFBWTRTPWHMHD-WOJGMQOQSA-N	321.376	3.962	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1nc2ccccc2[nH]1	777173298	IQQOZDKIMQOYKL-UHFFFAOYSA-N	324.409	3.598	50	20	DHGD	
CCc1cccnc1C(C)=NNC(=O)c1ccc2ccccc2c1	779771438	QUSUHQDKZJGYEL-UHFFFAOYSA-N	317.392	3.951	50	20	DHGD	
COC(C)(C)C[C@H](C)NC(=O)NNc1ccc(C(C)(C)C)cc1	780835389	VIKXVOYZXAMGNI-ZDUSSCGKSA-N	321.465	3.814	50	20	DHGD	
C[C@@H]1C[C@@H]2CCCC[C@H]2N1C(=O)[C@@H](Br)C(C)(C)C	781092450	VXCIJGBGOUAGNB-YVECIDJPSA-N	316.283	3.976	50	20	DHGD	
Cc1ccccc1C(=O)NN=Cc1c(Cl)ccc2cccnc12	781121162	GPDZRZZMMBSGHH-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2csc(C3CC3)n2)cc1	782073823	NAAYDYFAZLABOV-OVCLIPMQSA-N	324.405	3.979	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/c2cccc(Cl)c2)c1	786051903	WQEQNZGJABUELY-CXUHLZMHSA-N	310.784	3.872	50	20	DHGD	
Cc1cc(C)c(C(=O)COC(=O)/C(C#N)=C\C2CC2)c(C)c1C	786672767	BQQURYKMFXCXLA-PXNMLYILSA-N	311.381	3.506	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H]2CCC(C)(C)C2)ccc1Cl	789162167	IZKJWSIXQKUSSW-LLVKDONJSA-N	311.813	3.553	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](c2ccccc2)[C@H]1C	790880175	RFTANVCOBVRMAT-TZMCWYRMSA-N	310.488	3.585	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(/C#N)c1cnc2ccccc2n1	798370679	ULIAGIGUHRFFMQ-ZSOIEALJSA-N	303.369	3.780	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)CC1CCCCCC1	805383857	RVSWIBAZSHFJED-UHFFFAOYSA-N	305.378	3.707	50	20	DHGD	
N#CCCCCCC(=O)NNc1ccc(OC(F)(F)F)cc1	807066270	NBMAHBUZUITDIH-UHFFFAOYSA-N	315.295	3.502	50	20	DHGD	
Cn1cc(C(=O)NN=C2CCC[C@H]2C(C)(C)C#N)c2ccccc21	814776810	DRBGUUVDCOEYQI-OAHLLOKOSA-N	322.412	3.614	50	20	DHGD	
CO[C@](C)(C=NNC(=O)Nc1ccc(C)cc1Cl)C1CC1	814855623	QBQYMOCQZISTBC-OAHLLOKOSA-N	309.797	3.571	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)CSc1ccccc1O	814970725	ADFUXSRGESVJMS-GFCCVEGCSA-N	308.447	3.803	50	20	DHGD	
CCc1nc(C=NNC(=O)Nc2ccc(Cl)cc2)cs1	815003415	SYMJMFKPEIBFEF-UHFFFAOYSA-N	308.794	3.515	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2ccc(OC(F)F)c(F)c2)c1	815853194	ADJSNPOVNXLTMH-UHFFFAOYSA-N	324.302	3.801	50	20	DHGD	
CC[C@H](Cc1ccccc1C)C(=O)NNc1cccc(Cl)n1	819540436	CFABLSJUULILJW-CYBMUJFWSA-N	317.820	3.755	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NCC1CCC(C#N)CC1	838579290	RYIGLHPCGGFZAJ-UHFFFAOYSA-N	320.824	3.605	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C(C)(C)c1ccccc1C	846643958	SHNNFRSLXPWJNJ-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
C[C@H](c1ccc(C(=O)NCCCSC#N)cc1)C(F)(F)F	854367440	SZTIAJJOZRDVMZ-SNVBAGLBSA-N	316.348	3.687	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)c1cccc(OCC(C)C)c1	855366010	ZIIBJDDEVGBXOE-UHFFFAOYSA-N	316.376	3.926	50	20	DHGD	
COCCC1(CNC[C@]2(C)C[C@@H]2Br)CCCCC1	856810500	YLEHQRGAOSFELA-KBPBESRZSA-N	318.299	3.737	50	20	DHGD	
Cc1ccc(O)c(CNCc2ccc(OCCCCl)cc2)c1	858239395	NBZPYCIXQIXJOC-UHFFFAOYSA-N	319.832	3.998	50	20	DHGD	
C[C@@H](NNC(=O)c1cc2c(Cl)cccc2s1)C(F)(F)F	862304585	CWAZUBKGWSCDTA-ZCFIWIBFSA-N	322.739	3.740	50	20	DHGD	
Cc1cc(F)ncc1C(=O)NNc1c(C)cccc1C(C)C	868492364	VBJBLOPQNZDMSH-UHFFFAOYSA-N	301.365	3.718	50	20	DHGD	
Cc1cc(NC(=O)NCC(Cl)Cl)nn1C1CCCCC1	879607801	MKROBYMZWAOINK-UHFFFAOYSA-N	319.236	3.622	50	20	DHGD	
COc1ccccc1CC(C)=NNC(=O)c1ccc(Cl)cc1	916254231	PPBPKIMHSUZREB-UHFFFAOYSA-N	316.788	3.697	50	20	DHGD	
C[C@H](CC(=O)NN(c1ccccc1)c1ccccc1)n1ccnc1	917371990	YGLOFXNONVTRKH-MRXNPFEDSA-N	320.396	3.704	50	20	DHGD	
C=C(Cl)COc1ccc(C(C)=NNC(=O)[C@@H](C)CC)cc1	917544893	KCGLPYSCKACTPP-NSHDSACASA-N	308.809	3.704	50	20	DHGD	
CCOc1ccc(C(CC)=NNC(=O)C(C)(C)C)cc1OCC	920828699	FBJZIIBMWRFHSW-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
CCOC(=O)c1ccc(/C=C(\C#N)C(=O)c2ccccc2C)o1	1318983082	BVSCDONLVPWIAL-JLHYYAGUSA-N	309.321	3.555	50	20	DHGD	
CC(C)[C@@H](C#N)C=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1	1319380465	KSCIBYKTPKIJDR-PBHICJAKSA-N	323.396	3.505	50	20	DHGD	
C[C@@H](CC1CCCCC1)C(=O)NNc1cnc2ccccc2n1	1322129887	NHJWYGHBYYQWNH-ZDUSSCGKSA-N	312.417	3.679	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccc(Cl)s2)cc1	5675846	IIDNAUJDNCNPFC-CSKARUKUSA-N	318.785	3.956	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccc(OCCC)cc1	40868266	GDRLJTPEISQFRQ-DTQAZKPQSA-N	300.402	3.689	50	20	DHGD	
COc1cc(C(=O)NNc2ccc(Cl)cc2)ccc1Cl	89520972	IOFIGFKQQPIEFF-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1ccnc2ccccc12	115712666	BJVAHSXBZSXINI-HNNXBMFYSA-N	317.392	3.798	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)[C@H](C)c1ccccc1	118995797	NOXIGRYYWLYWJN-CQSZACIVSA-N	305.381	3.790	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ncccc1Cl)c1ccccc1	123815096	DIVVLUSIASBMIH-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccc(C#N)cc3)csc2C1	155184727	DHOINTGKBLPEKK-LLVKDONJSA-N	311.410	3.501	50	20	DHGD	
CC(C)C[C@@H](NS(=O)(=O)CCCCCl)c1ccccc1	163433367	HPLJUTXZERICFP-OAHLLOKOSA-N	317.882	3.712	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(OC(F)F)cc2)cc(C)c1F	163835207	DPYNEOMSQDTXQK-UHFFFAOYSA-N	324.302	3.801	50	20	DHGD	
O=C(CCCc1ccc2ccccc2c1)NNc1ccncc1	180445741	YZTGPBRJBMNGDQ-UHFFFAOYSA-N	305.381	3.701	50	20	DHGD	
CC(C)(C(=O)NNc1ccc2ccccc2n1)c1ccccc1	181096982	ZOYGTRIMTPTENK-UHFFFAOYSA-N	305.381	3.656	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(Cc2cccc(F)c2)CCC1	186496532	PGRLBVVXOCJFEN-UHFFFAOYSA-N	316.351	3.821	50	20	DHGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1cccc(F)c1	194533579	WYNPXOXBQCHZSR-NYYWCZLTSA-N	303.239	3.599	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1c(F)cccc1Cl	293267197	SJJIPXQEUGOHDS-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccsc2Cl)cc1	491136307	VELHSADUWLZNHH-DHZHZOJOSA-N	318.785	3.956	50	20	DHGD	
CCN(CC)CCC(=O)NN=C1CCCC[C@@H]1c1ccccc1	725812607	TWSNTIVTZAMOMQ-QGZVFWFLSA-N	315.461	3.548	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1	727366523	KZLLTCPLJVUFGI-ZFWWWQNUSA-N	316.445	3.609	50	20	DHGD	
Cc1c(NNC(=O)Nc2ccc(Cl)cc2)cccc1[N+](=O)[O-]	728065125	IFWWNAWOQBKSQZ-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)c(Cl)c1OC	730434907	VFVOAUDJMXMMTE-FLIBITNWSA-N	307.777	3.879	50	20	DHGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)c1ccccc1	730554062	VUGXZRQMJXMWIP-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)c1ccccc1	730570230	JQFGZVXNENEPIA-YBFXNURJSA-N	313.360	3.721	50	20	DHGD	
CN(NC(=O)N[C@H]1CCC[C@@H]1Cc1ccccc1)c1ccccc1	738498269	ZDYLWYNJYXLIOH-MJGOQNOKSA-N	323.440	3.748	50	20	DHGD	
O=C(NN=CC1CCCCC1)c1cccc(Br)c1	741767145	FHOXMFARMDBETG-UHFFFAOYSA-N	309.207	3.745	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNc1ccc(Cl)nc1	743818907	RTIUYSDIIQEIAD-UHFFFAOYSA-N	311.772	3.574	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)c(F)c2)c(O)c1C	746695397	CJYHLCFNWMVBHL-UHFFFAOYSA-N	308.740	3.558	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cccc3cccnc23)cc1C	747361955	FWYIKSGBQIZUDX-UHFFFAOYSA-N	317.392	3.924	50	20	DHGD	
CC(C)COc1ccc(C(=O)NNc2cccc(F)c2)cc1	748090474	XMRYWQKMFHJMAV-UHFFFAOYSA-N	302.349	3.617	50	20	DHGD	
Cc1c(C(=O)NNc2cccc(F)c2)oc2ccc(F)cc12	748099097	VHILSIQJWNRCJU-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
Cc1cc(F)ccc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	750895491	ICOVSXLUKNWFIU-VLLKGGHDSA-N	300.377	3.736	50	20	DHGD	
C[C@H]1CC[C@@H](CC(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761584633	HXINXUCVLKMTJV-WDEREUQCSA-N	316.323	3.855	50	20	DHGD	
N#C[C@@H](CCc1ccccc1)C(=O)NNc1cccc(Cl)c1	764116887	SGGGOVFFQVDKNQ-CQSZACIVSA-N	313.788	3.556	50	20	DHGD	
C[C@H](CC(=O)NNc1cnc2ccccc2n1)C1CCCCC1	765995810	HPVSRGMPPSVTFT-CYBMUJFWSA-N	312.417	3.679	50	20	DHGD	
CCc1ccc(-c2ccc(C(=O)NCCCSC#N)o2)cc1	773572543	UKYWTAVRAPZJAJ-UHFFFAOYSA-N	314.410	3.843	50	20	DHGD	
CC(C)(C(=O)NNc1ccccn1)c1ccc2ccccc2c1	777472628	URLKHJISCORNFS-UHFFFAOYSA-N	305.381	3.656	50	20	DHGD	
N#CC1=CCN(C(=O)c2cccnc2Sc2ccccc2)CC1	780686365	PRHSOXMWTHJBBA-UHFFFAOYSA-N	321.405	3.529	50	20	DHGD	
Cc1ccc(C(C)C)cc1O[C@H](C)C(=O)N1CC=C(C#N)CC1	780686865	PSQWAFWMXCBEHA-OAHLLOKOSA-N	312.413	3.568	50	20	DHGD	
C[C@@H]1CCC[C@@H](C)N(C(=O)[C@H](Br)C(C)(C)C)C1	781093170	DMAUIUVMNPUTHJ-UTUOFQBUSA-N	304.272	3.833	50	20	DHGD	
CCS[C@@H]1CCC[C@H]1NC(=O)[C@@H](Br)C(C)(C)C	781095986	DJSDPSHZBRRXBK-GMTAPVOTSA-N	322.312	3.586	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1cc2c(ccc3ccccc32)[nH]1	781363884	QSDGDLZAHWKESY-UHFFFAOYSA-N	320.327	3.612	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/C=C/c2ccc(F)cc2)c1	786056216	NPXHVFIWFABBTE-KDOXUUJXSA-N	320.367	3.914	50	20	DHGD	
COc1cc(OC)cc(C(=O)NN=C(CC(C)(C)C)C2CC2)c1	787156326	XVXPECVXMOSUAN-UHFFFAOYSA-N	318.417	3.636	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1ccc(F)cc1Cl	790731515	XNUVITJFWZKDPV-MRVPVSSYSA-N	322.858	3.851	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(OC(F)F)cc1	793710247	KDGAXBPGFNTXOF-OAHLLOKOSA-N	300.349	3.948	50	20	DHGD	
CC[C@H]1CC[C@@H](C)CC1=NNC(=O)c1cccc([N+](=O)[O-])c1	797397299	CCMFELLIFPFYSJ-NEPJUHHUSA-N	303.362	3.527	50	20	DHGD	
CC1CCC(=CC(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	802018390	MCOYYRNEWZATLD-UHFFFAOYSA-N	321.808	3.629	50	20	DHGD	
CC[C@H](C)C(=O)NN=C/C(C)=C/c1ccccc1OC(F)F	811639000	LDWMHZKXRUFBNB-USOWRHLXSA-N	310.344	3.839	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(F)ccc2OC)cc1	812240751	QPLQXLVGAGRYMP-XNTDXEJSSA-N	324.355	3.942	50	20	DHGD	
N#C/C(=C/c1cnn(CC(F)F)c1)c1ccc2ccccc2n1	814188482	LUWGVAVEHDFMPG-AUWJEWJLSA-N	310.307	3.761	50	20	DHGD	
COC1(CNCc2ccc(OCCCCl)cc2)CCCC1	824446502	YHXMJJNOTJEJGM-UHFFFAOYSA-N	311.853	3.743	50	20	DHGD	
CCOc1ccc(C(=O)NN=C2CCCC23CCC3)cc1OC	834929996	ZKCVZBRVROKYDR-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc(C(C)(C)C)on2)c(Cl)c1	836936737	QYJJHYUCFIDGCE-UHFFFAOYSA-N	307.781	3.691	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCC(=O)[C@@H](C)C1(C)C	836937168	VWNOHLQQQGMJPK-NEPJUHHUSA-N	322.836	3.733	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2OCCc3ccccc32)cc1	837052503	GJJJCQLZOPPDAV-GOSISDBHSA-N	310.397	3.567	50	20	DHGD	
CC(C)(CC(=O)Oc1ccc([N+](=O)[O-])c2ncccc12)C1CC1	839325621	HBIKMGPPHNZTLQ-UHFFFAOYSA-N	314.341	3.875	50	20	DHGD	
CC1(C)CC=C(C(=O)NNc2ccc(-c3ccccc3)nn2)CC1	839701522	XTYWXBBNSQFDCW-UHFFFAOYSA-N	322.412	3.723	50	20	DHGD	
CCNc1nc(C)c(C(=O)NNc2ccc(C)cc2Cl)s1	839786197	UULJDDWCPMGPNR-UHFFFAOYSA-N	324.837	3.602	50	20	DHGD	
CC[C@H](C)C[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1	844031368	QWYKHOYBNMWVDH-MELADBBJSA-N	319.536	3.614	50	20	DHGD	
Cc1ccccc1[C@@H](C)CC(=O)NNc1ccnc(Cl)c1	855468222	PODVSBVHVCISOH-LBPRGKRZSA-N	303.793	3.680	50	20	DHGD	
CC[C@H](Cc1cccs1)NC[C@]1(C)C[C@H]1Br	857066133	XZMOVZVUQSDXLO-RTXFEEFZSA-N	302.281	3.832	50	20	DHGD	
Cc1cc(CN(C)NC(=O)OCc2ccccc2)c(C)s1	859386104	CMHFDNMPJNXBRT-UHFFFAOYSA-N	304.415	3.638	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2[C@@H]3Cc4ccccc4[C@H]32)c(Cl)c1	861914293	AFFLMYJJTBWFHJ-KBRIMQKVSA-N	312.800	3.677	50	20	DHGD	
CCOC(C)(C)C(=O)NNc1ccccc1Oc1ccccc1	869144946	VIMLHRZSKVPFGU-UHFFFAOYSA-N	314.385	3.737	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)NNc1cc(F)ccc1F	885142753	ILRRGXKYQZMURY-MNOVXSKESA-N	308.353	3.582	50	20	DHGD	
COC(=O)[C@@H](C)NCc1cccc(S(F)(F)(F)(F)F)c1	894178026	FTLDQLSHSSJLHS-MRVPVSSYSA-N	319.295	3.995	50	20	DHGD	
CCn1nc(C)c(NC(=O)NNc2ccc(Cl)c(C)c2)c1C	930670262	JNGOESGANBIPHF-UHFFFAOYSA-N	321.812	3.630	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)c1ccc(-c2cccs2)s1	1116533864	CSNVVUSQXIBYRN-UHFFFAOYSA-N	324.427	3.646	50	20	DHGD	
C[C@@H](CBr)COC(=O)[C@H](C)c1ccc(F)c(F)c1	1320637059	NEDGWBKHCGCQAN-DTWKUNHWSA-N	321.161	3.643	50	20	DHGD	
Cc1cc(C(=O)OC[C@@H](C)CBr)c(C)n1C1CC1	1324064821	SEKKDJBWLUKNKO-VIFPVBQESA-N	314.223	3.628	50	20	DHGD	
Cc1cccc([C@H]2CCCN2C[C@@H](CBr)C2CC2)n1	1328757476	ZOHIMPZYIVPNML-GDBMZVCRSA-N	323.278	3.948	50	20	DHGD	
Cc1ccc(NNC(=O)C(F)(F)c2ccc(Cl)cc2)cc1	1337518070	KFLMLYXOVOQUKL-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
CCC1(c2ccccc2)CN(C(=O)C2CCC(Cl)CC2)C1	1520231496	ORLSTGGKYRSYJU-UHFFFAOYSA-N	305.849	3.974	50	20	DHGD	
N#C/C(=C/c1cnn(-c2ccccc2)c1)c1nc2ccccc2[nH]1	32275450	UNWIJXJRYDLLIU-GDNBJRDFSA-N	311.348	3.813	50	20	DHGD	
O=C(Cc1cccc(C(F)(F)F)c1)NNc1ccc(F)cc1	45971615	MLSAGEYGFFKNPZ-UHFFFAOYSA-N	312.266	3.530	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1F)C1CCCCC1	112224640	KYTNCBVYWVNGIJ-LCYFTJDESA-N	304.340	3.663	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)N2CCCC2)o1	114991145	POTQMCGZYYNACP-KAMYIIQDSA-N	324.355	3.924	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)NC[C@@H]1CCCS1	130519049	KOMKBHPMKFYJFV-RYUDHWBXSA-N	305.534	3.712	50	20	DHGD	
CC[C@@H](C(=O)NNc1cccnc1Cl)c1ccc(F)cc1	131378711	GNHULWNMMYRSAH-GFCCVEGCSA-N	307.756	3.511	50	20	DHGD	
C[C@H](CBr)CN[C@@H](c1ccccc1)c1ccccn1	133928527	WOUHGWGBQCZYLG-CJNGLKHVSA-N	319.246	3.792	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H](c1ccccc1)C1CC1	158932152	SMCKSAUIHBPZAK-MRXNPFEDSA-N	302.324	3.602	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C/c1cc(C(F)(F)F)ccc1F	172000454	GJBGIVKHWHONJR-BJMVGYQFSA-N	301.239	3.703	50	20	DHGD	
C/C(=C\C(=O)NNc1cc(F)c(F)c(F)c1)c1ccc(F)cc1	175483529	RDVQBSXDVFHCTI-RMKNXTFCSA-N	324.277	3.790	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCC(C)(C)C#N)c1C	180110592	RRVHCFBIKIBAOP-CXUHLZMHSA-N	313.401	3.515	50	20	DHGD	
Cc1cn2c(/C=C(\C#N)c3ccc([N+](=O)[O-])cc3)c(C)nc2s1	193748316	RFDFGLBUIRCNQJ-NTUHNPAUSA-N	324.365	3.985	50	20	DHGD	
COc1cc(/C=C(\C#N)c2nc(C)cs2)c2c(c1)C[C@H](C)O2	193863552	NYUSDJDJIDLPMO-MUKINBEESA-N	312.394	3.848	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)s1)C(=O)NCCc1ccccc1	209885546	XAEKOUIHNMYBQR-RAXLEYEMSA-N	316.813	3.667	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)/C=C\c2ccc3[nH]ccc3c2)c1	492322343	RYYKSQNZVNAGDK-VURMDHGXSA-N	305.381	3.941	50	20	DHGD	
COC(=O)NN=C(CC(C)C)c1cccc(C(F)(F)F)c1	726417800	JTPYFSXJLJIABP-UHFFFAOYSA-N	302.296	3.812	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1ccc(OCCC(C)C)cc1	731933275	GZABNGBBYTZHNL-UHFFFAOYSA-N	302.418	3.752	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)c1sccc1C	733745564	PSRQZJCKFDJQFA-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)c1cc2c(s1)CCC2	742033558	BPHHNRUGRKFFIB-GFCCVEGCSA-N	322.474	3.604	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc3ccccc3c2)[C@H]2CCCO[C@H]21	743437113	CATVOGGJERTYCT-SJLPKXTDSA-N	322.408	3.761	50	20	DHGD	
CC(C)[C@@H]1CCC[C@@H](NC(=O)NNc2ccc(Cl)nc2)C1	745801487	DXFBZGNGEYWPID-VXGBXAGGSA-N	310.829	3.576	50	20	DHGD	
CCCCCC(=NNC(=O)Cc1ccncc1)c1ccccc1	747645740	HSCPMDNDRQQCGQ-UHFFFAOYSA-N	309.413	3.725	50	20	DHGD	
CCC(=CC(=O)NNc1ccc(Br)cc1C)CC	748731483	MJISFRXQNGPEDB-UHFFFAOYSA-N	311.223	3.947	50	20	DHGD	
Cc1cccc(CC(=O)OC[C@@H](C)CBr)c1Cl	753614796	OTOWRWSYTFTPBP-VIFPVBQESA-N	319.626	3.765	50	20	DHGD	
Cc1nn(-c2ccccc2)c(Cl)c1/C=C(/C#N)c1ccncn1	758911482	JEHRUMLMZXYEJU-LCYFTJDESA-N	321.771	3.688	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cccc(-n2cccn2)c1	760212447	XXMGBXOLPJLTEP-GDNBJRDFSA-N	303.321	3.564	50	20	DHGD	
O=C(NCC1CCC1)NNc1c(Cl)cc(F)cc1Cl	768036756	VOEKTWPXBVEHFK-UHFFFAOYSA-N	306.168	3.559	50	20	DHGD	
C[C@H](CBr)CN1C[C@@H](C(F)(F)F)CC[C@H]1C	770669408	WCVTUXGZXAUSAO-BBBLOLIVSA-N	302.178	3.680	50	20	DHGD	
CC(C)(C(=O)NN=Cc1cscc1Cl)c1ccccc1	771883079	CVQKXSFTLIBAEH-UHFFFAOYSA-N	306.818	3.829	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@H](C)Oc2cccc(Cl)c2)s1	773103086	KSQZKOVQHYKIGI-NSHDSACASA-N	322.817	3.628	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)C1CCCCC1	773154577	UTXAVZMRDZSBKB-SSZFMOIBSA-N	305.381	3.929	50	20	DHGD	
CC(C)(C)[C@H](NC(=O)NNc1cccc(Cl)c1)C(F)(F)F	775986220	PYZNSNFQVQRYTC-JTQLQIEISA-N	323.746	3.943	50	20	DHGD	
COc1ccc(NNC(=O)[C@H](C)CCCc2ccccc2)cc1	776232640	SHHWLVOCIXAIBD-OAHLLOKOSA-N	312.413	3.797	50	20	DHGD	
N#CC1=CCN(C(=O)c2cc3c(Cl)cccc3s2)CC1	780686795	OKYLYQKHHQECFW-UHFFFAOYSA-N	302.786	3.851	50	20	DHGD	
CCCCC[C@@H]1CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	787442714	MTAOKDMRABUWQJ-VZVUQDNOSA-N	312.413	3.870	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccc(F)cn1	787597938	AAMAPZMVVYVEEV-ZDUSSCGKSA-N	315.435	3.978	50	20	DHGD	
CC1(C)CCC1=NNC(=O)COc1ccc(Cl)cc1Cl	788941536	YLIHXRLSQIVPOM-UHFFFAOYSA-N	315.200	3.664	50	20	DHGD	
COc1cc(NNC(=O)c2csc(Cl)c2)ccc1Cl	790169923	CRFXCVULBVSEHO-UHFFFAOYSA-N	317.197	3.820	50	20	DHGD	
C/C=C(\CC)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802086984	MCVOZEIBFINCFH-FPYGCLRLSA-N	316.188	3.502	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NC(C1CCC1)C1CCC1	804730972	RVMAURNACZEHQS-CYBMUJFWSA-N	316.283	3.881	50	20	DHGD	
Cc1cncc(CNCc2ccc(OCCCCl)cc2)c1	811485655	VMGPGAAUGYXYRO-UHFFFAOYSA-N	304.821	3.688	50	20	DHGD	
Cc1nn(C)c(Cl)c1/C=C(/C#N)C(=O)c1cccc(Cl)c1	812488874	OFBMVMJEAXZYPA-XFFZJAGNSA-N	320.179	3.825	50	20	DHGD	
Cc1cccc(C2(C(=O)NCCCSC#N)CCCCC2)c1	819699216	VFLJUGLYNMILTN-UHFFFAOYSA-N	316.470	3.918	50	20	DHGD	
CCCCCCOCc1cccc(NC(=O)NN(C)C2CC2)c1	824139826	XUEOBVLBINALTI-UHFFFAOYSA-N	319.449	3.914	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)CSc1ccc(C)cc1	828727416	WJMKLYFOOJVRIY-UHFFFAOYSA-N	322.474	3.595	50	20	DHGD	
ClCCCOc1ccc(CNCC[C@H]2C[C@H]3CC[C@H]2O3)cc1	839162534	AHMGAZSPYPBJAR-CGTJXYLNSA-N	323.864	3.742	50	20	DHGD	
CCOc1ccc(C[C@@H](C)C(=O)NNc2ccccc2C)cc1	839487842	WLFLWXDEDUABKB-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@@H]1C[C@H](C)C[C@@H](c2ccccc2)C1	840520457	UEYBGAVNTBINDR-PIMSJSESSA-N	312.413	3.519	50	20	DHGD	
C=CC[C@H]1CCCCC1=NNC(=O)c1ccc(O)c(Cl)c1	853307209	CWYDKKKTEIPTHF-NSHDSACASA-N	306.793	3.898	50	20	DHGD	
O=C(NN=C1CCC[C@@H](c2ccc(Cl)cc2)C1)c1cc[nH]n1	853391243	DXIJWADLFCCPQY-GFCCVEGCSA-N	316.792	3.507	50	20	DHGD	
CSSCCNC(=O)C1(C(F)(F)F)CCCCC1	854393980	LLKRZUYUYKZLJW-UHFFFAOYSA-N	301.399	3.627	50	20	DHGD	
CC[C@H](C)Oc1cccc(NC(=O)NNc2cccc(C)n2)c1	860518827	INCHGTQOCQGDMI-ZDUSSCGKSA-N	314.389	3.716	50	20	DHGD	
Cc1nc(C(C)C)oc1C(=O)NNc1ccc(F)cc1Cl	885137446	XSEIPBBJAHBZQN-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)c1ccc(N)cc1)c1ccccc1	915935927	ZNUOZIYQJUFKMR-UHFFFAOYSA-N	309.413	3.839	50	20	DHGD	
O=C(NN=CC(c1ccccc1)c1ccccc1)c1cccnc1	916252704	KOGGGRQSAGQOHP-UHFFFAOYSA-N	315.376	3.629	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCCC[C@H]2C)c1C	916337088	YOBZSTZKBRYNRR-HIFRSBDPSA-N	302.418	3.753	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1F	916350930	QVGGVJZHBUWGJI-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
Cc1ccc(NNC(=O)CCO[C@@H](C)CC(C)C)cc1Cl	1319051397	XCSIQLPVLMJDIJ-ZDUSSCGKSA-N	312.841	3.933	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1nc2ccccc2c(C(=O)O)c1C	1776689067	OSNOMIJETLAXOT-GJSJWPQCSA-N	322.364	3.764	50	20	DHGD	
COc1cc([C@@H](C)NC=C(C#N)C#N)ccc1OC1CCCC1	55007313	JPRCNOLIFSYRBH-CYBMUJFWSA-N	311.385	3.598	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OCCC)c(OCC)c1	57548124	RRURLPIBICHFFI-PTNGSMBKSA-N	315.369	3.510	50	20	DHGD	
Cc1ccc(CC(=O)NNc2cccc(C(F)(F)F)c2)cc1	61038024	QDMMONBOKJVYML-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccccc1C(F)(F)F	78225744	QZEYYAUSRJRNCF-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
Cc1cc(C)c2cc(C(=O)NNc3cccnc3Cl)[nH]c2c1	85685798	JHHVJZGKQYGBEL-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
Cc1cccc(NNC(=O)[C@H](C)Oc2ccc(F)cc2Cl)c1	113416001	QFSRXFMVOQNPCK-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)c1ccc(F)c(F)c1	120079221	UOZMFAQLKCCVOO-UHFFFAOYSA-N	302.324	3.601	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C/c2ccc3c(c2)OCCO3)c1	124822663	NMPJCMFSCLSIMD-LICLKQGHSA-N	319.360	3.865	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(Cl)ccc2[N+](=O)[O-])c1	127647439	IGNVZHQINXSVCQ-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
Cc1[nH]c2ccc(C(=O)NNc3ccncc3Cl)cc2c1C	154674924	IIVBJGANVBHWJQ-UHFFFAOYSA-N	314.776	3.590	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCCCc2cccs2)cc1	155616535	KYXCCKZZTVUPAX-UHFFFAOYSA-N	313.426	3.866	50	20	DHGD	
N#Cc1ccc(NNC(=O)Cc2c(Cl)cccc2Cl)cc1	155654320	VHJPBMJVIJVBFZ-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
N#C/C(=C\c1ccc(Cl)c(C(F)(F)F)c1)C(=O)NC1CC1	171157677	WSXCIUSAAKTRFY-WEVVVXLNSA-N	314.694	3.544	50	20	DHGD	
Cc1ccsc1/C=C(\C#N)C(=O)c1cccc2c1OCCO2	179705932	CIQAELOUEKGBSG-FMIVXFBMSA-N	311.362	3.618	50	20	DHGD	
O=C(NNc1ccnc(F)c1)C1(c2cccs2)CCCCC1	182407766	KWWRWSPEUZWKJM-UHFFFAOYSA-N	319.405	3.627	50	20	DHGD	
Cc1ccc(C=NNC(=O)c2cc(C)nc3ccccc23)cc1	254877129	DKUAEBURFXBACZ-UHFFFAOYSA-N	303.365	3.616	50	20	DHGD	
C[C@@H](C(=O)NNc1cc(C(F)(F)F)ccc1F)C(C)(F)F	293498186	MAHMPXXRSHSXIF-LURJTMIESA-N	314.229	3.579	50	20	DHGD	
Cc1n[nH]cc1C1CCN(/C(=C/C#N)c2ccc(F)cc2)CC1	375359142	BGCBRIKQOREBFX-NGYBGAFCSA-N	310.376	3.601	50	20	DHGD	
CSSCCNc1cccc(Br)c1C#N	389906654	HHIJBFHOCATYMX-UHFFFAOYSA-N	303.250	3.744	50	20	DHGD	
COc1ccsc1/C=C(\C#N)C(=O)N[C@@H](C)c1ccccc1	490724748	BACXDSYTJCMQTG-LQELWAHVSA-N	312.394	3.541	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(OC)c1	726429673	VHGALTIEXZOGEJ-QENILXLESA-N	309.369	3.607	50	20	DHGD	
C[C@H]1C[C@H](CC(=O)NNc2ccccc2[N+](=O)[O-])CC(C)(C)C1	727364660	RVMJQBDCDPDSFA-QWHCGFSZSA-N	319.405	3.890	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)c2cccc(C#N)c2)cc1	728784399	CIUUPVWRUOAOKC-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
CC(C)CC(CC(C)C)NC(=O)NNc1cccc([N+](=O)[O-])c1	729058213	SQDBOTXBMWTMJF-UHFFFAOYSA-N	322.409	3.682	50	20	DHGD	
N#C/C(=C/c1cnc2ccc(Cl)cn12)c1ccc([N+](=O)[O-])cc1	737442331	CIBSKLCDDYBSPN-GHXNOFRVSA-N	324.727	3.960	50	20	DHGD	
CCC(=NNC(=O)c1ccc(-n2c(C)ccc2C)cc1)C1CC1	741160694	XJMPXHPKZIXBIH-UHFFFAOYSA-N	309.413	4.000	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)[C@@H](CC)c1ccccc1	742661873	UQENFDZSBHNFKX-WBVHZDCISA-N	318.461	3.934	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccc(OC(F)F)c2)C[C@H](C)C1	747750824	FFOLFTVVZMFXOH-GHMZBOCLSA-N	310.344	3.830	50	20	DHGD	
C=CCCC(=NNC(=O)c1ccc(Cl)cc1OC)C1CC1	747751711	NXBYONSJOZVTOG-UHFFFAOYSA-N	306.793	3.811	50	20	DHGD	
CN(NC(=O)CCCOc1ccccc1Cl)c1ccccc1	747862296	CFIGQVGPZNKQAC-UHFFFAOYSA-N	318.804	3.667	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc2c(c1)CCO2	748019011	UOLVLQXZCITQLB-UHFFFAOYSA-N	323.179	3.685	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1ccc([C@@H]2C[C@H]2C)o1	748571764	OSYMSIRHQSCPJM-IAQYHMDHSA-N	316.376	3.926	50	20	DHGD	
CC[C@@H](Nc1ccccc1)C(=O)NNc1ccc(Cl)cc1	749273169	DLQPZJJTHUZVKF-OAHLLOKOSA-N	303.793	3.674	50	20	DHGD	
CS/C=C\C(=O)NNc1c(Cl)cc(Cl)cc1Cl	751458325	SHJNVYBSOWUBQB-IHWYPQMZSA-N	311.621	3.967	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)c2ccc3ccccc3n2)s1	758355446	UMKMZZRZULNICI-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCSc1ccccc1C(C)=NNC(=O)c1ccc(C)o1	759668172	ZSJMPLTUQNDDIM-UHFFFAOYSA-N	302.399	3.854	50	20	DHGD	
N#C/C(=C\c1cccc(-n2cccn2)c1)c1nc2ccccc2[nH]1	760209997	GRMJUDWZLCGSTB-RVDMUPIBSA-N	311.348	3.813	50	20	DHGD	
Oc1nc([C@H]2CC[C@H](Br)C2)nc2cccc(F)c12	765982652	OYAKOFZWDUEGNL-YUMQZZPRSA-N	311.154	3.506	50	20	DHGD	
N#C/C(=C/c1ccc(Oc2cccc(F)c2)cc1)C(=O)NC1CC1	766287679	HAVGQLXMCFXLDE-UVTDQMKNSA-N	322.339	3.804	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C[C@@H]1CCC[C@@H](C)C1	768368597	ZYFBJFIEWAIMHD-ZIAGYGMSSA-N	320.458	3.716	50	20	DHGD	
C[C@H](CBr)COC(=O)[C@@H](C)Cc1ccc(F)cc1	770359771	QIIZVYWICPPFMK-MNOVXSKESA-N	317.198	3.579	50	20	DHGD	
CCC(CC)(CC)C(=O)NNc1ccnc(Br)c1	771561482	QTJPROLIRDXFBT-UHFFFAOYSA-N	314.227	3.504	50	20	DHGD	
COc1c(C)ccc(NC(=O)NNc2c(F)cccc2F)c1C	775482952	IVDREQATHUZOCN-UHFFFAOYSA-N	321.327	3.739	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2ncccc2C(F)(F)F)C1	780539756	NRWFUSFFPKDHTI-URLYPYJESA-N	315.339	3.616	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1ccc(C(F)(F)F)cc1	780952127	OYUBCXZCBFSADN-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N(Cc1ccccc1)C1CC1	781067831	CIRXDOZXUYHRSP-AWEZNQCLSA-N	324.262	3.987	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCCCn1ccnc1	782340268	AJFITALJLGAJTN-CYBMUJFWSA-N	314.476	3.531	50	20	DHGD	
CCCNC(=O)NN=C[C@@H](C)c1ccc(C(F)(F)F)cc1	789000743	PDBVPSGUJADSHR-SNVBAGLBSA-N	301.312	3.504	50	20	DHGD	
CC[C@@H](Oc1ccccc1Cl)C(=O)NCCSSC	791116022	DDVLACZUHGPRFW-LLVKDONJSA-N	319.879	3.625	50	20	DHGD	
O=C(Cc1ccccc1F)NNc1cc(Cl)cc(Cl)c1	791729526	LFLVJPIMBROAOI-UHFFFAOYSA-N	313.159	3.818	50	20	DHGD	
N#C/C(=C/c1ccc(F)c(C#N)c1Cl)C(=O)c1ccoc1	806557053	KTASNOSUZJHMGQ-WZUFQYTHSA-N	300.676	3.734	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Nc1cc(C2CC2)ccn1	810325924	ZXOCKKGBHLDJIV-UHFFFAOYSA-N	300.337	3.555	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CC[C@H]1CC[C@@H](C)O1	812766724	VSTKHKBGAXSWCX-HUUCEWRRSA-N	304.434	3.909	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)CCOCC(F)(F)F	812769306	AMGGIPYUUHMPJW-UHFFFAOYSA-N	318.339	3.531	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)Cc1ccc(O)cc1)c1ccccc1	814844877	BXQBVGVPZIZODO-SFHVURJKSA-N	310.397	3.621	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C2CCC[C@@H](C#N)C2)c1	814991221	ATBMSOYYGFADJJ-SNVBAGLBSA-N	320.780	3.540	50	20	DHGD	
C[C@@H]1CC[C@@H](C(=O)NNc2cc(C(F)(F)F)ccn2)C[C@H]1C	832969341	WTELFZXQQWEYGW-GMTAPVOTSA-N	315.339	3.616	50	20	DHGD	
CC[C@H](C)c1ccc([C@H](NC(=O)NN)c2cccs2)cc1	841667650	PTXCLDJIUBYTBH-NHYWBVRUSA-N	303.431	3.524	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@@H]1CCC[C@@H]1Cc1ccccc1	854479397	RQPCUBILMFLPPL-ZIAGYGMSSA-N	314.256	3.908	50	20	DHGD	
C[C@H](CCC(=O)NC[C@]1(C)C[C@@H]1Br)c1ccccc1	857394426	RDSNDZSQBSYQAN-INWMFGNUSA-N	324.262	3.860	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)cnc1F	857715475	DZEAXHUMCRNIJV-UHFFFAOYSA-N	301.365	3.584	50	20	DHGD	
CC[C@@H]1C[C@H](CC(=O)NNc2cc(Cl)ccc2F)CCO1	871271437	OVYAIDVQEUEHQC-ZYHUDNBSSA-N	314.788	3.518	50	20	DHGD	
C[C@H](Cc1cccnc1)NC(=O)CCCC[C@H]1CCSS1	889655972	VMURCDAYLQAKOP-HIFRSBDPSA-N	324.515	3.843	50	20	DHGD	
COC(=O)c1ccc(/C=C(\C#N)c2nc(C(C)C)cs2)nc1	899344832	ZTANEPZDDSQOPF-WUXMJOGZSA-N	313.382	3.512	50	20	DHGD	
CSCc1cccc(NC(=O)[C@]2(C)C[C@H]2Br)c1	906635525	IDFCTDGLUGCLOV-DGCLKSJQSA-N	314.248	3.662	50	20	DHGD	
CC(CC12CC3CC(CC(C3)C1)C2)=NNC(=O)c1ccncc1	916243281	WAKPYVQOICUJGM-UHFFFAOYSA-N	311.429	3.794	50	20	DHGD	
CC(=NNC(=O)COc1ccc(C)c(C)c1)C1CCCCC1	916298944	QHEMYZQZQDIAEB-UHFFFAOYSA-N	302.418	3.755	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1csc(-c2ccc(C)cc2)n1	918713338	XWIAFZJJMKGBDT-GFCCVEGCSA-N	301.415	3.615	50	20	DHGD	
CCSc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)ccn1	919683881	BDIAJFGDQGNVMS-UHFFFAOYSA-N	318.354	3.629	50	20	DHGD	
C#CCCOc1ccc(C=NNC(=O)Nc2ccccc2C)cc1	920374580	HFFJURCYXKYBND-UHFFFAOYSA-N	321.380	3.553	50	20	DHGD	
Cc1cc(NNC(=O)c2scnc2C(C)C)ccc1Cl	928339197	AQQBIFKMVBFTJD-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
Cc1cc(NNC(=O)C(C)(C)C2CCC(O)CC2)ccc1Cl	928340035	PKSQCGZPCJEMLE-UHFFFAOYSA-N	324.852	3.669	50	20	DHGD	
O=C(CCl)N1[C@H](c2nc3ccccc3[nH]2)C[C@H]2CCCC[C@H]21	1261916901	IRKZLRLTOBPSSP-DFBGVHRSSA-N	317.820	3.634	50	20	DHGD	
Cc1ccc(NNC(=O)CSc2ccccc2)cc1Cl	1317775665	OLTYVSNFDRPICX-UHFFFAOYSA-N	306.818	3.884	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1ccc(C)c(C(=O)O)c1	1595586295	VCBOFQKJEINQKK-ZDUSSCGKSA-N	306.406	3.599	50	20	DHGD	
O=C(NNc1c(F)cccc1F)C1(c2cccc(Cl)c2)CC1	118510008	VNLFZTXTFLHVKX-UHFFFAOYSA-N	322.742	3.793	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)[C@H]1C[C@@H]1c1sccc1C	118988560	IADINDYTEQAYLU-STQMWFEESA-N	304.390	3.751	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(Cl)o1	178884704	YBLDGDLREIBPGB-UHFFFAOYSA-N	305.548	3.997	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2cc(C)n(CCC)c2C)cn1	194521281	UVVLDCQNJUDFMC-CXUHLZMHSA-N	308.385	3.602	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NCc1ccc(Cl)cc1	196572938	DQJUNWANILVWLJ-LLVKDONJSA-N	318.642	3.766	50	20	DHGD	
N#C/C(=C/c1cc(F)ccc1F)C(=O)Nc1ccccc1F	207691371	MDYBMZYBXSKHLV-XFFZJAGNSA-N	302.255	3.650	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	255503916	XPFURHYPBKVSHO-POHAHGRESA-N	315.678	3.995	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cnc(-c2ccccc2)s1	490850105	AGGSDQTXYKXZNZ-UHFFFAOYSA-N	303.387	3.669	50	20	DHGD	
Cn1cccc1C(=O)NN=CC(c1ccccc1)c1ccccc1	725845987	SSYAEAOEGWNJFL-UHFFFAOYSA-N	317.392	3.573	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)COc1ccccc1F	727254044	MIHZCVYGIHKHAZ-CYBMUJFWSA-N	306.381	3.667	50	20	DHGD	
Cc1ccc2c(C=NNC(=O)CCCc3ccccc3)c[nH]c2c1	727684972	TWJIAHFBSIOSPX-UHFFFAOYSA-N	319.408	3.949	50	20	DHGD	
O=C(CC1=CCCCC1)NNc1ccc(Cl)cc1[N+](=O)[O-]	730210619	UEIDUIKEXRROOX-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1	734553696	UUASVSMPHOFRND-UHFFFAOYSA-N	308.303	3.984	50	20	DHGD	
C[C@H]1CC(NC(=O)NNc2cc(F)c(F)cc2F)C[C@H](C)C1	740490547	QQUCMNMUSUQHOZ-RKDXNWHRSA-N	315.339	3.555	50	20	DHGD	
Cc1cc(OC(=O)c2cccc3c2ccn3C)ccc1[N+](=O)[O-]	741111540	RAUWSHMRTIZRCA-UHFFFAOYSA-N	310.309	3.614	50	20	DHGD	
COCc1ccc(C=NNC(=O)c2ccc3ccccc3c2)cc1	741761666	QGDBDCMENBHHEQ-UHFFFAOYSA-N	318.376	3.750	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2C[C@@H]2c2ccc(F)cc2)c(C)c1	743762763	KHLFQCLCJBFPBP-SJORKVTESA-N	312.388	3.998	50	20	DHGD	
Cc1cc(C)c(NNC(=O)Cn2ccc3ccccc32)c(C)c1	743764433	IBFUFKZGHHHORP-UHFFFAOYSA-N	307.397	3.710	50	20	DHGD	
C[C@H](OC1CCCCCC1)C(=O)NNc1ccccc1Cl	748333965	VYOQECCKTATYSC-LBPRGKRZSA-N	310.825	3.911	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(Cl)nc1)CCc1ccccc1	749158908	YCXNHYVDJJCNDC-ZDUSSCGKSA-N	315.804	3.720	50	20	DHGD	
CC(CC1CCCC1)=NNC(=O)[C@@H](C)Oc1ccccc1F	752717284	BKNRJZMXIWOWTB-CYBMUJFWSA-N	306.381	3.665	50	20	DHGD	
O=C(NNc1cccnc1Cl)[C@@H]1CC[C@@H]2CCCC[C@H]2C1	756781070	KTVBBMMRHIXUJK-RWMBFGLXSA-N	307.825	3.785	50	20	DHGD	
CCC1(C(=O)NNC(=O)c2cccc3ccccc23)CCCC1	756946108	NDZBMBLBKWXYOV-UHFFFAOYSA-N	310.397	3.571	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2cc(C)ccc2F)cc1	760141846	ZXTVUDLERAXGHS-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc(O)c(Cl)c1	768768580	OWGTZLFJOJDOKA-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
CCC[C@H](NC(=O)NNc1c(C)cccc1F)c1ccccn1	771317915	YDQNPIRGRQAJLQ-HNNXBMFYSA-N	316.380	3.697	50	20	DHGD	
CC[C@@H](C)[C@@H](NC(=O)NNc1ccccc1Cl)C(F)(F)F	772530756	IQTVEWLSCTYELW-LDYMZIIASA-N	323.746	3.943	50	20	DHGD	
CCCC(CC)=NNC(=O)[C@H](C)Oc1ccc(OCC)cc1	776185585	MWLKYONAEYILLV-ZDUSSCGKSA-N	306.406	3.535	50	20	DHGD	
O=C(NNc1ccccc1)c1coc(-c2ccccc2Cl)n1	776456222	IGUMTMRWEQHDCS-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
C=CCSc1ccccc1C(=O)NNc1c(F)cccc1F	777148643	KWMDHXYXNXHNEP-UHFFFAOYSA-N	320.364	4.000	50	20	DHGD	
COCc1cccc(NC(=O)[C@@H](Br)C(C)(C)C)c1	781073762	ONGZTSOMBIJEGE-GFCCVEGCSA-N	314.223	3.581	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2cc(C)oc2C)cc1	787154993	OJDNVOBZZHCMPJ-OMJMQIJPSA-N	324.380	3.689	50	20	DHGD	
COc1cc(NNC(=O)/C=C(/C)c2ccccc2)ccc1Cl	790177360	DAKUSGKPBBWAMN-BENRWUELSA-N	316.788	3.895	50	20	DHGD	
CC(C)C[C@H]1CCCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	794445078	JCELUHFMSHSKLO-CYBMUJFWSA-N	317.389	3.917	50	20	DHGD	
C=C(CBr)COC(=O)[C@@H](F)CC1CCCCC1	796207997	XUZMZPBCSOYHAG-LBPRGKRZSA-N	307.203	3.789	50	20	DHGD	
CCCCC1CCC(C(=O)NNC(=O)Nc2ccccc2)CC1	801992253	GJAPNLQMDGCYRD-UHFFFAOYSA-N	317.433	3.836	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)NCC#Cc1ccccc1	813034060	WTVKXYDPWWIKNV-UHFFFAOYSA-N	321.424	3.796	50	20	DHGD	
C[C@H](C(=O)NNc1cccc(Cl)n1)c1cccc(Cl)c1	817010779	QNHMDARWYPWSKR-VIFPVBQESA-N	310.184	3.635	50	20	DHGD	
Cc1sc(C(=O)NN(C)C2CC2)cc1-c1ccc(F)cc1	819649384	ONAYUUNULHHWAE-UHFFFAOYSA-N	304.390	3.602	50	20	DHGD	
CC[C@H](C)[C@H](C=NNC(=O)c1ccc(Cl)cc1Cl)OC	834932039	DQEAHDHOBQXSDD-ZANVPECISA-N	317.216	3.770	50	20	DHGD	
CN(NC(=O)c1cccc(Cl)c1Cl)C(=O)OC(C)(C)C	838362518	CPERYHOIXUTISX-UHFFFAOYSA-N	319.188	3.505	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccnn3CC(C)C)[nH]c12	843263124	ANKXLZCNPSQFQT-NTEUORMPSA-N	305.385	3.788	50	20	DHGD	
Cc1ccc(NNC(=O)NCC2CCC(F)(F)CC2)cc1F	854039662	KFNHIJOXWVGIGR-UHFFFAOYSA-N	315.339	3.586	50	20	DHGD	
C[C@]1(CN[C@@H]2CCC[C@H](C(F)(F)F)C2)C[C@@H]1Br	856808592	AUIKXYFKNJVPHH-ZRUFSTJUSA-N	314.189	3.871	50	20	DHGD	
C[C@@H](OC(=O)[C@@]12CC[C@@H](C[C@@H]1Br)C2)c1ccncc1	869461759	JMCITLXWOYOZQK-REJLFOLJSA-N	324.218	3.640	50	20	DHGD	
C[C@@H](CBr)CN1CCC2(CCSCC2)CC1	879200918	ULYVGNIPHJVACQ-LBPRGKRZSA-N	306.313	3.627	50	20	DHGD	
O=C(NNc1cc(F)ccc1F)[C@@H]1CCCC[C@@H]1C(F)(F)F	885139867	JDSSJBUJBRNFQN-ZJUUUORDSA-N	322.277	3.777	50	20	DHGD	
Cn1cccc1C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	891543552	MFTFRGDNYPUOJM-AWEZNQCLSA-N	322.525	3.652	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1ccccc1Cl	915973046	AOHBZBUJQNGYFN-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cc2ccccc2o1	915973372	LWBVWGWUKVNIRI-UHFFFAOYSA-N	313.744	3.635	50	20	DHGD	
COCCOc1ccccc1/C=C(/C#N)C(=O)c1ccccc1C	1116223476	ZHBMVRLFYVNEME-LGMDPLHJSA-N	321.376	3.810	50	20	DHGD	
Cc1nn(C(F)F)c(C)c1NC(=O)C1CCC(Cl)CC1	1548642877	KRZVJAFKPYUPMP-UHFFFAOYSA-N	305.756	3.631	50	20	DHGD	
CCCCC[C@@H](C(=O)NNc1ccc(C(=O)O)c(F)c1)C(C)C	1605254312	XDUBWKZGCFZCCG-CYBMUJFWSA-N	324.396	3.820	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)c1nc2ccccc2n1C	5070245	GVGUSPWYMNMIGS-DTQAZKPQSA-N	313.360	3.649	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1cccc(OCc2ccccc2)c1	6514032	BFEHVNMUHDYICM-LDADJPATSA-N	319.360	3.902	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccc(F)cc3F)csc2C1	66326224	BAEVIADZYHDAFD-VIFPVBQESA-N	322.380	3.908	50	20	DHGD	
CCCOc1cccc(NC(=O)NNc2ccc(F)cc2)c1	92228003	GUNGQPIVEPAGML-UHFFFAOYSA-N	303.337	3.763	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2cccc(C)c2C)ccc1O	171390000	KHPGVUCLNTYKGC-OQLLNIDSSA-N	307.349	3.808	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccc(Br)cc2)C1	175220972	DMRINOIUSVIJGF-MNOVXSKESA-N	311.223	3.719	50	20	DHGD	
C=CCOc1ccc(C(=O)NNc2cccc3cnccc23)cc1	178505253	GBCFBVDXJSJSHO-UHFFFAOYSA-N	319.364	3.557	50	20	DHGD	
C[C@H](CN(C)/C(=C/C#N)c1ccc(F)cc1)c1nccs1	183981471	GIOLOUGRCWNQRZ-IWTIEGKHSA-N	301.390	3.882	50	20	DHGD	
Cc1csc(/C(C#N)=C\c2cn3cc(Cl)ccc3n2)n1	193864526	MXTFBMXCUAWHFF-WMZJFQQLSA-N	300.774	3.817	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCO2)C(=O)c1cc(F)cc(F)c1	194537234	HQEXZLPWAMABQQ-NSIKDUERSA-N	311.287	3.690	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCCC[C@@H]1C(F)(F)F	274566885	DQQUIVYINPDVAR-MNOVXSKESA-N	318.314	3.946	50	20	DHGD	
CCC(C)(C)C1CCC(=NNC(=O)Cc2cccnc2)CC1	728784231	CJNPXOKOWYTSFD-UHFFFAOYSA-N	301.434	3.723	50	20	DHGD	
N#C/C(=C\c1ccnc2ccccc12)C(=O)NC1CCCCC1	731835430	CSXXFZVULPBODR-NTCAYCPXSA-N	305.381	3.591	50	20	DHGD	
COc1ccccc1C(=O)NN=C(CC1CC1)c1ccccc1	735971821	YEMYDXJMOSXKDC-UHFFFAOYSA-N	308.381	3.629	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1nccc2ccccc12	740760796	OGWNMWBOOXOFOP-UHFFFAOYSA-N	304.353	3.699	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNc1cnnc2ccccc12	743410776	PQQVLNPFOOCWDD-CYBMUJFWSA-N	300.406	3.679	50	20	DHGD	
CCC(=NNC(=O)c1ccc2ccccc2c1)C1CCOCC1	745194868	DKHLZULAMMRUFE-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)NNc1ccc(Cl)nc1	745820197	MWKPCGAGAJKVAX-NEPJUHHUSA-N	310.829	3.578	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(C=NNC(=O)c2cc3ccccc3o2)o1	749823814	RSPFZDZHSRDRFO-SMDDNHRTSA-N	308.337	3.913	50	20	DHGD	
CCC(=NNC(=O)c1ccc2c(c1)OCCO2)C1CCCCC1	750932478	MWUACMYBHJGENP-UHFFFAOYSA-N	316.401	3.534	50	20	DHGD	
Cc1cc(NC(=O)NNc2ccccn2)cc(C(F)(F)F)c1	753245319	PDQMMZWKPBTHOX-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C(CC(C)C)c1ccccn1	760244319	VCLSSUGMXNONNE-UHFFFAOYSA-N	310.401	3.962	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc(Cl)cs1	760468646	LAKLPIIQMHGROK-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2ccc(C#N)c(C)c2)c1	766291269	WYUNWFAOJXMREF-MFOYZWKCSA-N	302.333	3.665	50	20	DHGD	
CC[C@@H](CC(F)(F)F)NC(=O)[C@@H](Br)C(C)(C)C	768448073	PAEQJDBODAOFPZ-JGVFFNPUSA-N	318.177	3.643	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@H]1CC[C@H](C(C)C)CC1	772887620	BKUFXVPNNKRFOM-HDJSIYSDSA-N	304.438	3.506	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2cc(Cl)ccn2)cc1	778448761	LNQUNTXAOLGFSX-GFCCVEGCSA-N	317.820	3.934	50	20	DHGD	
N#CC1=CCN(C(=O)c2ccc3[nH]c4c(c3c2)CCCCC4)CC1	780688851	BWMIKQDEQJZREZ-UHFFFAOYSA-N	319.408	3.733	50	20	DHGD	
CSC1(C(=O)NNc2c(Cl)cc(F)cc2Cl)CCC1	784544104	DUIFTOTUMUBVBF-UHFFFAOYSA-N	323.220	3.861	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCC1CCC(C(F)(F)F)CC1	786678832	VDNSUAOGUDMUCX-KPKJPENVSA-N	301.308	3.758	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCC2(CCCO2)CC1)c1ccccc1	788020729	SWOBZPQJONCCJP-KKFHFHRHSA-N	314.429	3.776	50	20	DHGD	
COc1cc(NNC(=O)/C=C\c2ccccc2F)ccc1Cl	790178480	XSKAKSWLXUMIAP-TWGQIWQCSA-N	320.751	3.644	50	20	DHGD	
CSSCCNC(=O)N[C@@H](C)Cc1ccccc1Cl	790673959	QRYSAOYHDCEMBQ-JTQLQIEISA-N	318.895	3.581	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(C(=O)OC)ccc1Cl	794934377	JPLXYGLLVKZVQM-AAIQCTMTSA-N	305.761	3.649	50	20	DHGD	
C[C@@H](OC(=O)/C(C#N)=C/C1CC1)c1ccc(Br)cc1	795570075	QFQPEJQFDURPNI-SEEODLKFSA-N	320.186	3.913	50	20	DHGD	
CSc1c(F)cccc1C(=O)NNc1ccc(F)cc1F	797947178	PEODSKIBSYSSRE-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
N#C/C(=C/c1cccc(Br)c1)C(=O)c1ccoc1	798230134	MEUWAAIUUJPNHB-SDQBBNPISA-N	302.127	3.832	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cncn1-c1ccccc1	799755631	HLWPRYMSNXFNEV-UHFFFAOYSA-N	320.396	3.500	50	20	DHGD	
Cc1cc2cc(C(=O)NNC(=O)Nc3ccccc3)oc2cc1C	801985668	CEIMUSDEZSUJHN-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
CC1(C)CN(CCI)[C@H]1c1cccs1	805839865	ULDWNCCZPBWPTG-JTQLQIEISA-N	321.227	3.566	50	20	DHGD	
Cc1cccc(-c2cncc(C(=O)NCC(Cl)Cl)c2)c1	808128669	BDVGTULNRKZEAH-UHFFFAOYSA-N	309.196	3.591	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccc(C(F)(F)F)cc1	808246692	IPGFQEPIUDIUDK-UHFFFAOYSA-N	300.107	3.581	50	20	DHGD	
CCN1CC[C@@H](N(C)CCO[Si](C)(C)C(C)(C)C)C[C@@H]1C	808732130	BXXTVMPKXWJBSF-JKSUJKDBSA-N	314.590	3.813	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCOC3(CCC3)C2)cc1	811483764	KMGJNMSAPBJBDB-MRXNPFEDSA-N	323.864	3.886	50	20	DHGD	
COc1ccccc1CC(=O)NN=C[C@H](C)C1CCCCC1	814813082	HOOKDGHFYQADMF-AWEZNQCLSA-N	302.418	3.556	50	20	DHGD	
Cc1c(C(=O)NNc2cccc3cnccc23)ccn1C(C)C	815855679	DIBHAPGHNHXVBC-UHFFFAOYSA-N	308.385	3.683	50	20	DHGD	
CC(=O)NN=Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1	818204349	TUNQYURZNNNAHC-UHFFFAOYSA-N	312.316	3.904	50	20	DHGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNc1ccnc2cc(Cl)ccc12	824012264	TUCTXWODXKQTLA-SUNKGSAMSA-N	315.804	3.768	50	20	DHGD	
CC(C)C[C@@]1(C)CCCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	834329294	MLOCXXSUAUYWQC-JVCXIRSZSA-N	312.413	3.726	50	20	DHGD	
O=C(NCC1CC(F)(F)C1)NNc1cccc(Cl)c1Cl	838602145	WKDHGNJNCWLLLT-UHFFFAOYSA-N	324.158	3.665	50	20	DHGD	
COC1([C@@H](C)NC(=O)CCCC[C@@H]2CCSS2)CCC1	839875594	MUUVHOANDPUPSQ-CHWSQXEVSA-N	317.520	3.774	50	20	DHGD	
CCN(CC)c1ccc(-c2nnc(SC/C=C\C#N)o2)cc1	840051695	CEHXYJMNKBQWJC-WAYWQWQTSA-N	314.414	3.755	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(F)F)nc1	848036524	KVZXLBQSQXUMAO-UHFFFAOYSA-N	305.328	3.647	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(Cl)cn1	857081811	IUCOBUPEUNYOHE-UWJYBYFXSA-N	303.631	3.559	50	20	DHGD	
CCC[C@@H](C(=O)N1CC=C(C#N)CC1)c1cccc(Cl)c1	860502425	ICDOMEVMCSYVBS-MRXNPFEDSA-N	302.805	3.906	50	20	DHGD	
CCC[C@@H](C(=O)NN[C@H](C)C(F)(F)F)c1ccc(Cl)cc1	862322288	JXAZCHBDYFIWOB-BXKDBHETSA-N	322.758	3.795	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2ccc(Cl)cc2F)C1	885106690	FSVXQTCYJNWXJX-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
Cc1cc2cc(NC(=O)[C@@]3(C)C[C@@H]3Br)ccc2[nH]1	906069601	YCRRLZNUUPKIRN-JSGCOSHPSA-N	307.191	3.588	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@H](OC2CCC2)CC1	1120684260	MNBCYDJIEBGJEX-QGZVFWFLSA-N	321.848	3.989	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(C(C)(C)C)nn2)CCCC1	1323742137	NAIFYYCIOYFAEA-UHFFFAOYSA-N	318.465	3.824	50	20	DHGD	
CC[C@@H](CC1CCCCC1)C(=O)NNc1cccc(C(=O)O)c1	1595125751	HZTOQEVYQJDWIM-AWEZNQCLSA-N	318.417	3.825	50	20	DHGD	
O=C(Nc1ccccn1)NN(c1ccccc1)c1ccccc1	48347456	QSNXQQKKGLTADM-UHFFFAOYSA-N	304.353	3.956	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1cc(F)ccc1F	91984841	YHABQLKXSIARPJ-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
C[C@@H](C(=O)NNc1ccnc2ccccc12)c1ccccc1F	109020582	WTHFHSHHVWWYBH-GFCCVEGCSA-N	309.344	3.621	50	20	DHGD	
Cc1ncsc1C(=O)NNc1c(Cl)cc(F)cc1Cl	124143089	JSYZZZITQCTJQW-UHFFFAOYSA-N	320.176	3.654	50	20	DHGD	
Cc1ccccc1C(=O)NNc1ccc(OCC(F)(F)F)cc1	124639301	RKBMQZWTYRBHBA-UHFFFAOYSA-N	324.302	3.693	50	20	DHGD	
CC(C)Sc1ccc(C(=O)NNc2cccnc2Cl)cc1	128300977	BWZOETOIBPAEEO-UHFFFAOYSA-N	321.833	3.992	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc([N+](=O)[O-])c(Cl)c2)c1	138627044	ZXVPILAUXNNGCN-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
CCc1sc(C(=O)NNc2cccc3cnccc23)cc1C	178509746	WUBDJVHITBRJHO-UHFFFAOYSA-N	311.410	3.924	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2cc(F)c(O)c(F)c2)cc1	183511069	IXYFUXFXXRIWAB-UHFFFAOYSA-N	320.339	3.725	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(-n3cccn3)cc2)cc1	184888220	UWZZMNZGXVVHOA-AQTBWJFISA-N	313.360	3.971	50	20	DHGD	
O=C(C[C@@H]1C=CCCC1)NNc1ccc(OC(F)(F)F)cc1	187088459	NELAEAZRJDIIPO-LLVKDONJSA-N	314.307	3.775	50	20	DHGD	
Cc1cccnc1CNC(=O)CCCC[C@@H]1CCSS1	264097864	AMACVFWLVXANCY-CYBMUJFWSA-N	310.488	3.720	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2c(F)cccc2F)c1C	270187946	NAVALCCTCLMLMX-UHFFFAOYSA-N	322.359	3.588	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c(C(F)(F)F)nn(C)c1Cl	273430293	AELMJFIBOBZGOB-KBUNYLKBSA-N	319.714	3.614	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)C(C)(C)F)cc1OC(F)F	296014147	UBXHWOOYCOWSPI-UXBLZVDNSA-N	313.275	3.521	50	20	DHGD	
CCC(=O)NN=C(C)c1ccc(OCc2cccc(C)c2)cc1	727648504	IARGUAHQZPYUJX-UHFFFAOYSA-N	310.397	3.824	50	20	DHGD	
N#Cc1cccc(C(=O)NN=Cc2ccc(Cl)c(Cl)c2)c1	728784471	FFDQHJHYIGTDHF-UHFFFAOYSA-N	318.163	3.629	50	20	DHGD	
O=C(NNc1cnnc2ccccc12)c1ccc2ccccc2c1	733813519	TUIUJJAGTUYUDW-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
CC(=NNC(=O)c1ccc(C#N)cc1)C(C)(C)c1ccc(F)cc1	734979427	HDSZALZHLRHZFI-UHFFFAOYSA-N	323.371	3.781	50	20	DHGD	
Cc1cc(OC(=O)[C@@H]2C[C@]23CCc2ccccc23)ccc1[N+](=O)[O-]	744036514	AUEZFKRXVMKLLE-LPHOPBHVSA-N	323.348	3.713	50	20	DHGD	
CC(=NNC(=O)N(C)C)c1ccc(Oc2ccccc2)c(F)c1	745601504	CVKOMYAGCQISCS-UHFFFAOYSA-N	315.348	3.613	50	20	DHGD	
CCO[C@@H](CCNC(=O)NNc1c(C)cc(C)cc1C)C(C)C	746422962	ZYLNJOQTZZWDGR-INIZCTEOSA-N	321.465	3.689	50	20	DHGD	
CCCCCOc1cc(C=NNC(=O)C(C)(C)C)ccc1OC	747047689	FBZVHBLXDRUMRU-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
C[C@@H](C=NNC(=O)C(C)(C)C)c1cccc(Br)c1	747633639	VLFPPLPKNHOEQR-JTQLQIEISA-N	311.223	3.701	50	20	DHGD	
CCC(=NNC(=O)c1ccc(OC)c(OC)c1)C1CCCCC1	750918240	UBFDMULDRZBVKE-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
CC(=NNC(=O)c1ccc(C)o1)c1ccc2cc(O)ccc2c1	752171961	DQFODASADCQJFV-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
O=C(NN=C(CC(F)(F)F)c1ccccc1)c1ccccc1F	757464585	CVHHWRGATRVMAN-UHFFFAOYSA-N	324.277	3.912	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(C)ccc2F)c(Cl)c1	760147915	VBYISPCDLILAAY-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2)cc1Cl	766289845	SWHYZJMKOWIBIL-SXGWCWSVSA-N	310.784	3.872	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(C)c1C)c1occc1C	767757018	YRGWRQMRLXRAQB-HNNXBMFYSA-N	314.385	3.513	50	20	DHGD	
C[C@@](O)(C1CCN(/C(=C/C#N)c2ccccc2)CC1)C(F)(F)F	767912650	IGNFORLRSUFGAP-UBYXTUIOSA-N	324.346	3.576	50	20	DHGD	
CC(C)(C)[C@@H]1CCN(C(=O)[C@@H](Br)C(C)(C)C)C1	768443672	AIECVYJIVAAVHD-GHMZBOCLSA-N	304.272	3.691	50	20	DHGD	
O=C(NN=C1CC[C@@H]1c1ccccc1)c1cccc2ncccc12	769778640	FHSBMBJQHOBNKE-OAHLLOKOSA-N	315.376	3.898	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1cccc(Cl)c1)c1occc1C	773103208	MKLCRUGWEFVYPS-LBPRGKRZSA-N	320.776	3.549	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)c1ccc(OC(F)F)cc1	776259673	OKPUKDUDRUYFOQ-UKTHLTGXSA-N	315.275	3.783	50	20	DHGD	
O=C(NNc1ccccn1)c1ccc2[nH]c3c(c2c1)CCCCC3	777471496	LYMFKUHQIZKJMP-UHFFFAOYSA-N	320.396	3.589	50	20	DHGD	
CCCCC[C@H](CC)C(=O)NNc1ccccc1C(=O)OC	780728296	DIYDTJQSJXHIAH-ZDUSSCGKSA-N	306.406	3.523	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1N(C)C(=O)[C@H](Br)C(C)(C)C	781073301	FZUPUTNEKIKIKW-WOPDTQHZSA-N	304.272	3.833	50	20	DHGD	
CSSCCNC(=O)Nc1nc(C(C)(C)C)cs1	789722752	ORCIFCIJWOZHEK-UHFFFAOYSA-N	305.494	3.573	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1cc(Cl)ccc1O	790154734	XNCCKNVHOBJTQL-UHFFFAOYSA-N	315.181	3.524	50	20	DHGD	
COc1cc(NNC(=O)c2c(C)cccc2C)ccc1Cl	790177309	CEUMDGOMTUZLIP-UHFFFAOYSA-N	304.777	3.722	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)c1nc2ccccc2[nH]1	794925685	CRFSBIIBNAVQAQ-RIYZIHGNSA-N	317.348	3.942	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)c(-c2ccnn2C)c1	801647059	AOHFIGZDCWHJII-PTNGSMBKSA-N	307.397	3.918	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@@H]2CCC[C@H]3CCCC[C@@H]32)c1	802832146	HHHVTKZVEHDIFG-OAUYIBNBSA-N	320.408	3.884	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)Nc1c(C)cccc1C	806128282	QKUDXHDZDMESGT-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
CC(=O)CN(CC(C)C)C(=O)CCCC[C@@H]1CCSS1	817620107	NQSHOCQTNDJLAE-CQSZACIVSA-N	317.520	3.774	50	20	DHGD	
CCC[C@H](C(=O)NNC(=O)C1CCCC1)c1ccc(Cl)cc1	821750368	FAGSDJVJPRCFHM-HNNXBMFYSA-N	322.836	3.561	50	20	DHGD	
CC[C@H]1CCC[C@@H]1C(=O)NNc1ccc(Br)cc1	824209763	WZJFVLXQTRPGMX-GWCFXTLKSA-N	311.223	3.719	50	20	DHGD	
CC(C)CC(=O)NN=Cc1ccc(NC(=O)OC(C)(C)C)cc1	834927321	ASLCBUOKJMMEBP-UHFFFAOYSA-N	319.405	3.530	50	20	DHGD	
O=C(NNc1cccc(Cl)c1Cl)[C@@H]1CCCSC1	838346424	UDPZVFSIJRLYOL-MRVPVSSYSA-N	305.230	3.580	50	20	DHGD	
C[C@H]1C[C@H](NC(=O)NNc2ccc(C(C)(C)C)cc2)CS1	840420245	ROBYIHPUOFWCKD-FZMZJTMJSA-N	307.463	3.504	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)/C=C(/C)COC	844308050	AEPCQCJFXLRDEG-GHXNOFRVSA-N	318.442	3.916	50	20	DHGD	
CC(C)(O)CCN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	844335530	DQJQENOIDKCKAQ-AWEZNQCLSA-N	301.547	3.634	50	20	DHGD	
C[C@@H](c1csnn1)N(C)CCO[Si](C)(C)C(C)(C)C	844345658	WOHFQDFZOAHSNP-NSHDSACASA-N	301.532	3.553	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCC2(CC1)CC2(F)F	844409624	OYANJWPWFTXMAN-LNKIKWGQSA-N	319.311	3.580	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(Cc2cccc(F)n2)C1	852524145	OECSGBSIBUTXGV-CQSZACIVSA-N	310.489	3.817	50	20	DHGD	
C[C@@H](NNC(=O)C(C)(C)CCCc1ccccc1)C(F)(F)F	862313783	OIHBWUITENBFTE-GFCCVEGCSA-N	316.367	3.607	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)c1ccn(C2CCCC2)n1	885125158	LOSNRANZSPVKTA-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
COC(=O)c1cc(/C=C(/C#N)c2nc(C3CC3)cs2)cs1	901524132	OABQALHVRLSOHH-WCIBSUBMSA-N	316.407	3.933	50	20	DHGD	
CC[C@H](C)C(=O)NN=Cc1ccc(-n2cnc3ccccc32)cc1	915975602	WQCDZTGGSVQICK-AWEZNQCLSA-N	320.396	3.522	50	20	DHGD	
CCC(C)=NNC(=O)c1cc(-c2ccncc2)nc2ccccc12	916284548	KSRQHZIOSMKCNU-UHFFFAOYSA-N	318.380	3.813	50	20	DHGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)c1nc(-c2ccccc2)no1	917142481	FHHNVGLQMGTVRL-SDQBBNPISA-N	324.321	3.770	50	20	DHGD	
COc1ccc(CCC(=O)NN=Cc2cc(C)c(C)cc2C)cc1	920380408	TWKZQXHSENOHIH-UHFFFAOYSA-N	324.424	3.703	50	20	DHGD	
CCCCC[C@@H](C)CC(=O)NNC(=O)c1ccccc1Cl	1116132627	NMWRMMIHHJUQKB-GFCCVEGCSA-N	310.825	3.708	50	20	DHGD	
CCS[C@H]1CC[C@H](N(C)C(=O)C2CCC(Cl)CC2)C1	1263754689	VCYCNDSDLAXBSS-HOAMVYINSA-N	303.899	3.917	50	20	DHGD	
C[C@@H](CCC(C)(C)C)C(=O)NNC(=O)c1ccccc1Cl	1321027283	KQCIRSJQJBTBDB-NSHDSACASA-N	310.825	3.563	50	20	DHGD	
CC(C)[C@@H]1CCCC(=NNC(=O)c2cncn2-c2ccccc2)C1	1321099865	NSWSYVMJQIPZIT-OAHLLOKOSA-N	324.428	3.804	50	20	DHGD	
O=C(NN=Cc1nccc2ccccc12)c1ccccc1Cl	1323099243	AVGVLCMHZOADKS-UHFFFAOYSA-N	309.756	3.652	50	20	DHGD	
Cn1cc(-c2ccc(/C=C(\C#N)C(=O)c3ccccc3)cc2)cn1	1344419611	SWHDOXNLISOLHE-WOJGMQOQSA-N	313.360	3.877	50	20	DHGD	
C[C@H](CC(=O)c1cccs1)NC(=O)c1cccc(CCl)c1	1346931891	AHHDSDBIXMZNMZ-LLVKDONJSA-N	321.829	3.878	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)OCc2ccccn2)c1C	16702680	PVVQYTMTDJGMTC-GZTJUZNOSA-N	323.396	3.560	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2scnc2C)c(C)c1	78692421	AQFJEAMESYEZOK-AUWJEWJLSA-N	311.410	3.922	50	20	DHGD	
CCC(CC)[C@H](NC(=O)NNC(=O)C(C)(C)C)c1ccccc1	79435509	HWVYXZGRYQBRQJ-HNNXBMFYSA-N	319.449	3.540	50	20	DHGD	
CCCOc1ccc(CCC(=O)NNc2ccc(F)cc2)cc1	79440434	WKMBWDIRDBMCQZ-UHFFFAOYSA-N	316.376	3.690	50	20	DHGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)oc2ccc(Cl)cc12	103199291	VZZPCRDUXIBZJI-UHFFFAOYSA-N	322.792	3.592	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H]1CCSc2ccc(F)cc21	114917926	LZBOISKAFIYCEN-CQSZACIVSA-N	317.389	3.689	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)C12C[C@H]3C[C@@H](CC(F)(C3)C1)C2	122669668	UIJRZTKFTOYOFT-QQJLWGBUSA-N	324.346	3.716	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3cccc(C#N)c3)cc2C1	152257510	AMFLSVJPPJXFIA-LLVKDONJSA-N	311.410	3.501	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1cc(Oc2ccccc2)ccn1	154835464	FPOZAYWWJRRVKY-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1cccnc1Cl	171349883	QMKMVSPPBBGIGZ-NTEUORMPSA-N	311.772	3.898	50	20	DHGD	
Cc1ncc(C(=O)NNc2c(Cl)cccc2Cl)s1	177825255	CRXRZTSJPQZXHF-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CC[C@@H](CSC)NC(=O)CCCC[C@H]1CCSS1	181226032	ZILRCIUCWJRXGE-RYUDHWBXSA-N	307.550	3.958	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N1CCC[C@H]1C1CCCCC1	188226053	LWAGKIFTZYPYCR-UMEYKSNOSA-N	324.424	3.870	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)c2cc(Cl)cc(Cl)c2)cn1	195271131	MGKSIFSZYHZGIP-BIIKFXOESA-N	306.152	3.517	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2F)o1)C(=O)N1CCCC1	208393873	UHKDXWBFGVYZEP-QBFSEMIESA-N	310.328	3.615	50	20	DHGD	
Cc1ccsc1[C@H]1C[C@H]1C(=O)NNc1c(F)cccc1F	269581809	KKZKESZTEWARBU-VHSXEESVSA-N	308.353	3.582	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@@H]1CCC[C@H](C(F)(F)F)C1	274596526	LLQUVPZVBFLATI-MNOVXSKESA-N	318.314	3.946	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)[C@H]1CCCC[C@@H]1C(F)(F)F	293764240	URIIQOAJWRBMLW-IUCAKERBSA-N	321.730	3.547	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C/c1nc(Cl)cs1)c1ccccc1	490783561	RCRNSUUZSSREBQ-CEXMDJMXSA-N	317.801	3.581	50	20	DHGD	
CCCC(Cc1ccccc1)=NNC(=O)c1ccc(C#N)cc1	727257360	JVMWPNYBTOSZAF-UHFFFAOYSA-N	305.381	3.687	50	20	DHGD	
CCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)c1C	728287201	QBAJPZVNHVLIAG-GZTJUZNOSA-N	307.397	3.979	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ccccc1[N+](=O)[O-]	733947650	BXCFEYXPYGZMFD-CYBMUJFWSA-N	305.378	3.644	50	20	DHGD	
CCC(=NNC(=O)Cc1ccccc1F)c1cc(F)ccc1F	743441085	BTERRMRAHJHAFG-UHFFFAOYSA-N	320.314	3.577	50	20	DHGD	
C[C@H](C=NNC(=O)c1ccc(Cl)cc1F)c1ccccc1	747643620	LHQVJSGEVQKMCW-LLVKDONJSA-N	304.752	3.998	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C/c1cc(OC)ccc1Br	747691001	SMFKXFRNUOMJHD-QVIVLVACSA-N	322.202	3.980	50	20	DHGD	
Cc1cc(C)cc(CCC(=O)NNc2c(F)cccc2F)c1	748171715	ZGQSHTBSFOMYLQ-UHFFFAOYSA-N	304.340	3.658	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c(O)nc3ccccc3c2C)c1	748402160	FVMRZQUTNYTJPB-UHFFFAOYSA-N	321.380	3.623	50	20	DHGD	
CCC/C=C/C(=O)NNc1ccc(Br)cc1Cl	748784456	PNTJDBIXXOSTOD-SNAWJCMRSA-N	317.614	3.902	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccc(Cl)cc2Cl)c(O)c1	749259796	GXZLWHRBRFTGLK-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
CC[C@@H](C(=O)NN=C[C@@H]1CCOc2ccccc21)c1ccccc1	752166861	ZOZBYJGHTFRYGN-DLBZAZTESA-N	322.408	3.849	50	20	DHGD	
CC(C)CCO[C@@H](C)C(=O)NNc1cc(Cl)ccc1Cl	752808485	VBZLUSXAQCLJDE-JTQLQIEISA-N	319.232	3.888	50	20	DHGD	
Cc1cccc(CC(=O)NNc2cccc(Cl)c2)c1Cl	754173600	HFILNJRNMKWSNM-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
COc1ccc(NNC(=O)CCC(C)(C)c2ccccc2)cc1	754467883	YIBBZOYGDXUOFH-UHFFFAOYSA-N	312.413	3.896	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N2CC[C@H](CC)C2)c1C	755485571	JGRZOTOKEPQHCP-GYXHFJGISA-N	313.445	3.680	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C/c1cc(-c2ccccc2)ccc1OC	756785612	DCCAIKZSZGMJNI-QGOAFFKASA-N	318.376	3.571	50	20	DHGD	
C[C@H](CBr)CN(C)CCOc1ccc(Cl)cc1	770647221	ZWEOUIPBRRWQRA-LLVKDONJSA-N	320.658	3.682	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC[C@H](C[C@@H]2CCOC2)C1	773704068	GLLOMWXFPKKTKS-NZUYAPDDSA-N	314.404	3.829	50	20	DHGD	
CC(C[C@@H](C)CC(C)C)=NNC(=O)c1cccc(N(C)C)c1	779760867	YLWGXJDUOSREHF-AWEZNQCLSA-N	303.450	3.931	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C\c1ccccc1)c1cccc(C#N)c1	785352708	ZECGEURHLPZCTC-KPYNCUPYSA-N	302.333	3.770	50	20	DHGD	
N#C/C(=C/C=C/c1ccccc1)C(=O)NCc1ccc(F)c(F)c1	786051696	CGMJBPATHYWIAL-QSJINSDNSA-N	324.330	3.744	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)C[C@@H](C)c1ccccc1C	788190336	LRUHDFSLHCJQEN-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
CCSCc1ccccc1C(=O)NNc1ccc(Cl)nc1	790823564	VHQUACODSBSNEO-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
Cc1cnn(C)c1/C=C(/C#N)C(=O)c1cccc(C(F)(F)F)c1	794689564	BWCZGHTYAPLOJR-GHXNOFRVSA-N	319.286	3.537	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(N(C)C)cc1)c1cc(C)c(C)o1	799882165	GKDYBQGXRZBTCV-UHFFFAOYSA-N	314.389	3.508	50	20	DHGD	
CC(=C\c1ccccc1C(F)(F)F)/C=C(\C#N)S(C)(=O)=O	799890701	VFCONFWFCQFFDU-SMTGYRLFSA-N	315.316	3.561	50	20	DHGD	
O=C(NNc1cccc(F)n1)c1ccccc1Oc1ccccc1	804767182	BZSLQKUSMRXDAM-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
O=C(CCCc1ccc2ccccc2c1)NNc1cccc(F)n1	804773127	FISYKKRYDLZDOO-UHFFFAOYSA-N	323.371	3.840	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(OCC2CC2)cc1	807230740	XVVWWHVLIMPCMP-UHFFFAOYSA-N	312.460	3.608	50	20	DHGD	
O=C(CC1CC1)NN=CCCCc1cccc(C(F)(F)F)c1	814988853	ZGCDYQQOXDLILY-UHFFFAOYSA-N	312.335	3.930	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cccc(Cl)c2C)cc1	817900176	XPUVEBDTZQPMBD-UHFFFAOYSA-N	304.777	3.804	50	20	DHGD	
C/C=C/COC(=O)/C(C#N)=C/c1cc(C)n(CC(C)C)c1C	818032576	VWGQHULZXQZXBC-HKHMFKSASA-N	300.402	3.787	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(C(C)C)n2)c(Cl)c1	836937103	WLTSBEUDYORGKQ-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
CC(C)c1ccc(NNC(=O)CSC[C@@H]2CCCCO2)cc1	837055795	LVMSPXKHEGKTPT-INIZCTEOSA-N	322.474	3.555	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cc(OC)c(OC)cc1F	844274822	HMPSEKPMQSLLTO-NTUHNPAUSA-N	305.349	3.755	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCC1CCN(Cc2ccon2)CC1	844344715	FQLXEQATDCOOEP-UHFFFAOYSA-N	310.514	3.908	50	20	DHGD	
Cc1ccc(NNC(=O)c2cc3c(s2)CCCC3)cc1F	856232956	ZXCFIEQQFBFYRF-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
C[C@]1(CN[C@@H]2CCCOc3ccccc32)C[C@H]1Br	857081040	BIUMJTFOSVBWQT-BPLDGKMQSA-N	310.235	3.663	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1ccc(C(F)F)nc1	857082887	RKURWIBNRLLKLQ-RLCGTCKNSA-N	319.193	3.843	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)/C=C\c1cccs1	899892243	BQQIAZOKJSRUKM-WAYWQWQTSA-N	303.339	3.892	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(N2CCCCC2)cc1	916266815	GOGJTBIABZHSOE-UHFFFAOYSA-N	303.406	3.536	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)Cn1cnc2ccccc21	916273732	DBYMYIFCSYPJRH-WNRROJSISA-N	324.428	3.831	50	20	DHGD	
O=C(NN=Cc1cccc(C(F)(F)F)c1)NC1CCCCC1	916299709	SPZBYQUJFLUCAO-UHFFFAOYSA-N	313.323	3.671	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1cccc(C)c1C)c1ccccc1	916336691	MNADWJPZIMYAOF-MRXNPFEDSA-N	310.397	3.611	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)OCc2cc(C)ccc2C)c1	916601591	DIXZYZSRIHAGFD-YVLHZVERSA-N	321.376	3.962	50	20	DHGD	
O=C(Cc1c[nH]c2ccccc12)NN=CCCc1ccc(F)cc1	1321808884	JUOSKIVQXSJRLO-UHFFFAOYSA-N	323.371	3.584	50	20	DHGD	
CC(C)c1oncc1C(=O)NNc1ccc(C(F)(F)F)cc1	1347052466	FGIROEDZJFQMDX-UHFFFAOYSA-N	313.279	3.574	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCCCC[C@@H]1c1ncon1	1358111441	JOCZRSALWYTCPP-CQSZACIVSA-N	319.792	3.566	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc([C@@H]3C[C@H]3C)o2)c1	16967985	NARCEVZHCGRXOX-UZDHDDJOSA-N	322.364	3.957	50	20	DHGD	
CSc1ccc(Cl)c(C(=O)NNc2cc(C)ccn2)c1	88423070	KRJAEGUSIMUTBC-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
Cc1cc(C(=O)NNc2c(F)cccc2F)nc2ccccc12	118510821	WJFCMCLJBHAIRT-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
Cc1cccc(OCCCCC(=O)NNc2cccc(C#N)c2)c1	152407271	GTRDAWCAGXEJKE-UHFFFAOYSA-N	323.396	3.559	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C(C)(C)c1ccc(F)cc1	160869282	LLWFETROBDFNTH-UHFFFAOYSA-N	304.340	3.694	50	20	DHGD	
C[C@H](C#N)Oc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1	171540024	PDZUEAIWZIDVPT-BVTUPMQUSA-N	320.323	3.906	50	20	DHGD	
N#C/C(=C/c1cccc(C#N)c1)C(=O)Nc1ccccc1Cl	208306326	ANFGOKQSGOZBSZ-ZROIWOOFSA-N	307.740	3.757	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2cccc(N(C)C)c2)CC(C)(C)C1	254432737	SLNKZBFLNKSUMI-ZDUSSCGKSA-N	301.434	3.685	50	20	DHGD	
C=CCCC(C)=NNC(=O)CSc1nc2ccccc2s1	254739631	RJBOKMKZPWNFJA-UHFFFAOYSA-N	319.455	3.847	50	20	DHGD	
CN(Cc1ccc2c(c1)OCO2)/C(=C\C#N)c1ccc(F)cc1	255320731	ACBMZVZNINGHOJ-PXNMLYILSA-N	310.328	3.551	50	20	DHGD	
Cc1nn(C(C)C)cc1/C=C(\C#N)c1nc2ccccc2n1C	281133164	YYAWXLYDMNFVOJ-NTEUORMPSA-N	305.385	3.723	50	20	DHGD	
CN(NC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1)c1ccccc1	298736438	PSHSJWBXVODDTK-VXGBXAGGSA-N	300.324	3.523	50	20	DHGD	
Cc1ccncc1/C=C\C(=O)NNc1cc(Cl)ccc1Cl	492508820	SXDFKXAIKIVBTA-DJWKRKHSSA-N	322.195	3.853	50	20	DHGD	
COC(=O)N(C)N=Cc1ccc(Oc2cccc(F)c2)cc1	495678170	WLNNXQLNEHBWLJ-UHFFFAOYSA-N	302.305	3.650	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	588555808	ZNWBHERSRMKTEO-GDNBJRDFSA-N	319.357	3.775	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccccc2C)cc1	588559118	SNYDLOYMLRYCEN-PWDRBQJJSA-N	320.392	3.788	50	20	DHGD	
CCCCS[C@@H](C)C(=O)NNc1nccc2sccc12	734250111	QPAZFMFNGXPNGP-JTQLQIEISA-N	309.460	3.661	50	20	DHGD	
CC(C)CC(=NNC(=O)c1cccnc1)c1ccc(Cl)cc1	740760518	VXWBGJMEQKDOLE-UHFFFAOYSA-N	315.804	3.915	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CNc2c(C)cccc2C)c(C)c1	746690771	FOOZNUTVJAAJAB-UHFFFAOYSA-N	311.429	3.784	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCOc2c(C)cccc2C)c1	748382067	NVKRUSYJPIYRLZ-UHFFFAOYSA-N	312.413	3.832	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)Nc1ccc2ccccc2c1	755350249	WWVMIJQOLNJDPW-UHFFFAOYSA-N	319.364	3.615	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)cnc1Cl	760263379	HBQGGLJLWCTYND-SDQBBNPISA-N	309.760	3.687	50	20	DHGD	
N#C/C(=C/c1cccc(-n2cccn2)c1)c1ccc([N+](=O)[O-])cc1	760264679	MUXPXAFVQQARJT-WJDWOHSUSA-N	316.320	3.845	50	20	DHGD	
CC[C@H](C(=O)OC[C@@H](C)CBr)c1ccc(F)cc1	770419814	XOMOOEWVFJJRQO-GWCFXTLKSA-N	317.198	3.894	50	20	DHGD	
C[C@H](CBr)CN1CCC[C@@H]1c1ccc(F)cc1	770645816	LKMLBLUPHMRGEL-BXUZGUMPSA-N	300.215	3.994	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccc([N+](=O)[O-])c(OC)c2)cc1C	774560589	MGKRUBBOROHWHJ-DHDCSXOGSA-N	324.336	3.985	50	20	DHGD	
CC(C)Oc1ccc([C@H]2CCCC2=NNC(=O)C2CC2)cc1	776758972	URMFUEVGARIOCY-MRXNPFEDSA-N	300.402	3.624	50	20	DHGD	
COC1(C(=O)NNc2c(Cl)cc(Cl)cc2Cl)CCC1	781549269	CVAPTVSVTIEZAX-UHFFFAOYSA-N	323.607	3.659	50	20	DHGD	
O=C(NN=CCCc1c(Cl)cccc1Cl)c1ccc[nH]1	790154739	XTHISPOQPKEZAR-UHFFFAOYSA-N	310.184	3.670	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1c1cccc(C)c1	790877763	IGGBUVXPNBVBEM-AWEZNQCLSA-N	310.488	3.853	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)on1)c1ccc(C)cc1	794780265	NMYLEAVUTRZUPU-UHFFFAOYSA-N	319.364	3.804	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=C2CSC[C@H]2C)cc1	794872429	XVVAMNOYGJLJSY-CYBMUJFWSA-N	320.458	3.580	50	20	DHGD	
C[C@@H]1C[C@@H](c2ccccc2)N(CCI)C1	796622127	XZYHWELNZAHHKM-YPMHNXCESA-N	315.198	3.505	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC[C@H](c2cccnc2)C1	799879730	NBEOKLCPXQEYRK-AWEZNQCLSA-N	323.396	3.534	50	20	DHGD	
O=C(/C=C\c1cccc(CCl)c1)c1ccc2nc(O)[nH]c2c1	799890863	BYRPVVXURWNJGU-DAXSKMNVSA-N	312.756	3.903	50	20	DHGD	
CSC1(C=NNC(=O)Cc2ccc3ccccc3c2)CCC1	800810748	UHZQDTWHSLBXIN-UHFFFAOYSA-N	312.438	3.770	50	20	DHGD	
CC(C)c1[nH]ccc1C(=O)NNc1cccc(C(F)(F)F)c1	802823145	LLIGRBGGGPCEKP-UHFFFAOYSA-N	311.307	3.914	50	20	DHGD	
O=C(NNc1c(F)cccc1F)c1ccc(C(F)(F)F)s1	802825233	MTNJBWAUWBEWBG-UHFFFAOYSA-N	322.258	3.802	50	20	DHGD	
CCCN1CCC(N(C)CCO[Si](C)(C)C(C)(C)C)CC1	808732868	LPJJTEMQSWTTKS-UHFFFAOYSA-N	314.590	3.814	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Nc2ccn3ccnc3c2)cc1	810228336	FLGGVJDNGDDOKJ-UHFFFAOYSA-N	323.400	3.780	50	20	DHGD	
O=C(CCCC1CC1)NNc1cc(C(F)(F)F)ccc1F	812537510	CHTYPDIRRHFBQP-UHFFFAOYSA-N	304.287	3.868	50	20	DHGD	
CSc1ccc(C=NNC(=O)c2cccc(Cl)c2)s1	814732303	HAGNSTJIWUQCHZ-UHFFFAOYSA-N	310.831	3.887	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCC[C@H]1CCOC1	816437996	UWFCGAKJQPFNBN-OLZOCXBDSA-N	304.477	3.670	50	20	DHGD	
CC[C@H](C(=O)NNc1cccc(Cl)n1)c1ccc(F)cc1	817011635	CLCUIXJOTHWAOG-LBPRGKRZSA-N	307.756	3.511	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)[C@H]1C[C@@]12CCCc1ccccc12	819843464	MDTHXVXCDXJCAJ-CZUORRHYSA-N	312.240	3.543	50	20	DHGD	
CC(C)c1ccc(NNC(=O)[C@@H]2CCO[C@H](C(C)C)C2)cc1	821939681	YRNXEOGSXIVBGT-WBVHZDCISA-N	304.434	3.704	50	20	DHGD	
C[C@@]1(C(=O)NNc2cccc(Br)c2)CC=CCC1	827506045	JMEQBHXKRUTHAS-CQSZACIVSA-N	309.207	3.639	50	20	DHGD	
COc1ccc2nc(/C=C(\C#N)C(=O)C(C)(C)F)sc2c1	834447090	HQZHIQBRXLZOGD-RMKNXTFCSA-N	304.346	3.529	50	20	DHGD	
C[C@H](O)CCCN1CCC[C@@H](O[Si](C)(C)C(C)(C)C)C1	844337896	VXMAYUHFXCOKGK-LSDHHAIUSA-N	301.547	3.634	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@@H]1Br)c1ccc(F)cc1F	851894035	ZTDSWCVXLZCENP-AQUOVQTQSA-N	304.178	3.789	50	20	DHGD	
C[C@H](NC[C@@]1(C)C[C@H]1Br)c1cc(F)ccc1F	851894851	BNTLMALJPIOXPO-ZEGGKSINSA-N	304.178	3.789	50	20	DHGD	
C[C@H](c1csnn1)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852524250	PLASATHWJINAOC-VXGBXAGGSA-N	313.543	3.695	50	20	DHGD	
CCC[C@@H](C(=O)NNc1cccc(F)c1Cl)c1ccccn1	862506545	BJIGKJKPMVRGPM-LLVKDONJSA-N	321.783	3.901	50	20	DHGD	
Cc1ccc([C@@H](C)C=NNC(=O)c2cccc(N(C)C)c2)cc1	863067980	RWBXHJUFYABPSY-HNNXBMFYSA-N	309.413	3.580	50	20	DHGD	
COc1cc(C(=O)NN=CCC(C)C)ccc1OCCC(C)C	863966482	BLEPUAHRUHHWHY-UHFFFAOYSA-N	320.433	3.882	50	20	DHGD	
CC(C)CC(=O)/C(C#N)=C\c1cc(C#N)ccc1Br	899343871	GFXIPVWTIRWUHB-QPEQYQDCSA-N	317.186	3.843	50	20	DHGD	
O=C(NCCc1cccc(Cl)c1)NNc1ccccc1Cl	915910130	PESCVOLUPQSSCQ-UHFFFAOYSA-N	324.211	3.862	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1C[C@H](C)CC(C)(C)C1	915931015	CBLYIIMKFNNLEM-LBPRGKRZSA-N	312.417	3.575	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1ccc(C)o1	915975303	AVGKZLBBFIGJEE-UHFFFAOYSA-N	306.365	3.824	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OCCCc2ccccc2)cc1	916594946	CFYBOKYMJJYTKD-NBVRZTHBSA-N	321.376	3.778	50	20	DHGD	
Cc1ccc(C)c(OS(=O)(=O)c2ccc(CCCl)cc2)c1	917842029	CUUNABQGUAOGPJ-UHFFFAOYSA-N	324.829	3.852	50	20	DHGD	
Cc1cc(NNC(=O)c2ccnn2C2CCCC2)ccc1Cl	928341323	WSNLLJONKBQLFL-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OCc2csc(C)c2)cc1	1336907536	OJEMKEBQUDCNQP-NVNXTCNLSA-N	313.378	3.716	50	20	DHGD	
O=C(CCCC1CCCCC1)NNC(=O)c1ccccc1Cl	6402495	CPVURROGIBRHNO-UHFFFAOYSA-N	322.836	3.852	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCCOc2ccc(C)cc2)cc1	7765733	LSBPPHFGAXWGTG-QGOAFFKASA-N	321.376	3.833	50	20	DHGD	
CCOCc1cccc(NC(=O)NNc2ccc(F)cc2)c1	92602736	XLJNLRQFPOOLRM-UHFFFAOYSA-N	303.337	3.511	50	20	DHGD	
Cc1cc2cc(NC(=O)NNc3ncccc3Cl)ccc2[nH]1	92759238	VFCGSCHODVMLBT-UHFFFAOYSA-N	315.764	3.673	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cc(C#N)cc(Cl)n1	93545407	IVDSAUVPVQBSQC-LBPRGKRZSA-N	320.824	3.656	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2ccc(F)cc2F)cc1	113431404	NBGXZYGFDLSKBD-UHFFFAOYSA-N	319.355	3.568	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1nc(C(F)(F)F)cs1	152804706	LOGMDRMJAZGORX-QMMMGPOBSA-N	321.368	3.821	50	20	DHGD	
Cc1ccc(NC(=O)NNc2cccc(C(F)(F)F)c2)c(C)n1	162266189	AJWFPGWPAYWOSF-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CC(C)(C)C[C@@H](CO)NC(=O)CCCC[C@@H]1CCSS1	180502887	RTIKKSDEJIMGES-QWHCGFSZSA-N	319.536	3.614	50	20	DHGD	
Cc1ccccc1NNC(=O)CSc1ccccc1Cl	192733670	WJTJDTRDOBFPOR-UHFFFAOYSA-N	306.818	3.884	50	20	DHGD	
COc1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1C1CC1	278393816	KFIHXYJWWNLLPG-UHFFFAOYSA-N	310.397	3.946	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)C(=O)Nc2ccc(F)cc2)s1	490724906	CDXXQZAHNOVQQM-YRNVUSSQSA-N	315.373	3.951	50	20	DHGD	
CCC(=O)NN=C1CCCc2nc(-c3ccc(C)cc3)sc21	727648785	QUEJCXTWKCUZRW-UHFFFAOYSA-N	313.426	3.685	50	20	DHGD	
N#C/C(=C/c1cnn(CCCl)c1)c1ccc2ccccc2n1	728698159	FJOCITVRRLTSPU-DHDCSXOGSA-N	308.772	3.734	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc([N+](=O)[O-])c(O)c3)[nH]c12	735618879	GSAJGSQLIBPKFK-KPKJPENVSA-N	320.308	3.549	50	20	DHGD	
Cc1cc(/C=C(/C#N)c2nc(C)c(C)s2)ccc1-n1cncn1	742434176	FKSUZURJKLDSSH-CHHVJCJISA-N	321.409	3.713	50	20	DHGD	
C[C@@H](NC(=O)NNc1ccc(F)cc1)[C@H](C)c1ccccc1	747592194	JSULVUPHEQVBMA-QWHCGFSZSA-N	301.365	3.644	50	20	DHGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1ccccc1F	749892428	USCFSPNGDZXAPU-YHYXMXQVSA-N	303.239	3.599	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H](C)CCC(C)(C)C	754212329	MBOYFDYTBLKQQH-NSHDSACASA-N	309.362	3.971	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1cc2ccc(C)cc2o1	754894772	DBUBMVNWLNRREU-UHFFFAOYSA-N	308.337	3.601	50	20	DHGD	
O=C(NN=CC[C@@H]1CCOC1)Nc1ccc(-c2ccccc2)cc1	765576272	KZNLGZRANXAVEW-OAHLLOKOSA-N	323.396	3.888	50	20	DHGD	
C[C@H]1CC(C)(C)CC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	765993412	NBNLMJSIHJSOPX-LBPRGKRZSA-N	310.401	3.619	50	20	DHGD	
COc1ccccc1C(=O)NN=C1CCC(C(F)(F)F)CC1	766020320	CNMQMUWAUYRSTN-UHFFFAOYSA-N	314.307	3.534	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCC#Cc2ccc(F)cc2)cc1	771309711	HCCIQHNDOOXVPL-AQTBWJFISA-N	319.335	3.636	50	20	DHGD	
COC1(C)CCN(C(=O)CCCC[C@@H]2CCSS2)CC1	775194053	VSLXCKQZINFVNV-CYBMUJFWSA-N	317.520	3.728	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2ccnc3cc(Cl)ccc23)C1	776456777	QYCQFIDKJUBPDG-QWRGUYRKSA-N	303.793	3.768	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccc1)C(=O)c1ccc(Cl)cc1	777422218	QTGKOHIIAMUCCI-LBPRGKRZSA-N	316.788	3.692	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1cc(Cl)ccn1	778447342	PJTLIAGXRFYPBI-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
CC(C)[C@]1(C)C[C@@H]1C(=O)NNc1ccccc1OC(F)(F)F	779200691	LIGGYSWUXSMLSO-YGRLFVJLSA-N	316.323	3.711	50	20	DHGD	
COc1ccc(Oc2ccc(C=NNC(=O)C3CCC3)cc2)cc1	783842872	PRRZMPFDLUSKNW-UHFFFAOYSA-N	324.380	3.738	50	20	DHGD	
O=C1CC[C@H](C(=O)NNc2cccc(Cl)c2)c2ccccc21	785784454	XYMFSEPPDXISCM-HNNXBMFYSA-N	314.772	3.543	50	20	DHGD	
C=CC[C@@H]1N(C(=O)/C(C#N)=C/c2ccc(O)cc2)CCCC1(C)C	787582743	VCLMHMRQSKQKSR-QCUIPMNBSA-N	324.424	3.892	50	20	DHGD	
CC[C@H](C)C[C@@H](C)NC(=O)NNc1ccc(Cl)c(OC)c1	789038726	JBKNEMGXXSWKFX-WDEREUQCSA-N	313.829	3.799	50	20	DHGD	
CN(C)c1ccc(C(=O)NNc2cc(Cl)cc(Cl)c2)cc1	792517849	RARJQIRFTXXASQ-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)C1(c2ccccc2F)CC1	799759136	IHUVJYPXULWHAS-UHFFFAOYSA-N	312.388	3.871	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cc(Cl)cc2cccnc12	808246684	IHEBURKEXZXWHE-UHFFFAOYSA-N	317.603	3.764	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cccc3c2OCCO3)cc1C	809145693	DCKXMQWUMZAXQR-GZTJUZNOSA-N	319.360	3.865	50	20	DHGD	
O=C(NN=C1C[C@H]2CC[C@H]1C2)c1cc2c(s1)CCCCC2	814767736	SCKRHIUATVEURJ-RYUDHWBXSA-N	302.443	3.923	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)Nc1cc(F)cc(F)c1	815007078	MSHOSVHLTMSPDG-MLGOLLRUSA-N	315.323	3.876	50	20	DHGD	
CCCCC/C(C=NNC(=O)c1cnccn1)=C/c1ccccc1	818284296	UEEDNNPTNGASBP-IIKBHQFDSA-N	322.412	3.856	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)NOc2ccccc2)c1C	820044216	YSDCOKWIRJNJOI-ATVHPVEESA-N	323.396	3.532	50	20	DHGD	
O=C(NNc1ccccc1Br)C1CCC2(CC1)CC2	830772097	YLKZSPNFHZKXPK-UHFFFAOYSA-N	323.234	3.863	50	20	DHGD	
CCCC(CCC)C(=O)NNc1cc(C(F)(F)F)ccn1	832968392	KLMGOWNYMGRPBU-UHFFFAOYSA-N	303.328	3.760	50	20	DHGD	
Cc1ccc(NNC(=O)C[C@@H](C)n2nc(C)cc2C)c(Cl)c1	836937230	ABDVNPCYIVOSCD-CYBMUJFWSA-N	320.824	3.556	50	20	DHGD	
CC(=NNC(=O)c1cc(Cl)ccc1O)[C@H]1C[C@H]2C=C[C@H]1CC2	842524709	GFEPNYULLKWEBW-SGMGOOAPSA-N	318.804	3.754	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Br)C1CCCC1	856233760	ZMCAPDPWSXAHFE-UHFFFAOYSA-N	317.614	3.736	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1cnnc2ccccc12)C(C)C	857124996	CDQGWQSSZARACO-CYBMUJFWSA-N	300.406	3.535	50	20	DHGD	
CCC[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	857555862	CWBZQLMWYBOERJ-MFVBVHDHSA-N	301.434	3.727	50	20	DHGD	
CCC[C@H](C(=O)NNc1ccnc(F)c1)c1cccc(Cl)c1	860693800	GNNHZRMJLCDGPA-AWEZNQCLSA-N	321.783	3.901	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2cc(Cl)ccc2F)no1	871272585	UZWYTJRBWXUGLP-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
CS(=O)(=O)/C(C#N)=C/c1ccc(-c2ccccc2Cl)s1	873947794	BXZFPGRDIJHDBZ-DHZHZOJOSA-N	323.826	3.978	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)s1	912774736	YUCAOECUBNZCRL-BENRWUELSA-N	312.369	3.763	50	20	DHGD	
CCOc1ccccc1C(C)=NNC(=O)c1c[nH]c2ccccc12	916285824	JSFWQOGLODMGFT-UHFFFAOYSA-N	321.380	3.721	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccccc1Cl	916350955	SHTGGMHLBKNFEP-UHFFFAOYSA-N	307.180	3.686	50	20	DHGD	
Cc1ccccc1C[C@H](C)NC(=O)NNc1ccccc1Cl	918223492	SBLAXWYPFNXDPL-ZDUSSCGKSA-N	317.820	3.906	50	20	DHGD	
CC(=O)Nc1cc(NC(=O)C2CCC(Cl)CC2)ccc1C	1263708706	VEEKDKNLTQCONW-UHFFFAOYSA-N	308.809	3.690	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)Cc2ccc(Cl)cc2)cs1	1317927506	QOHGFQQNXBKWGP-UHFFFAOYSA-N	321.833	3.613	50	20	DHGD	
CN(CC1(O)CCCCCC1)C(=O)c1cccc(CCl)c1	1336441487	CPFDDMWMULDXQO-UHFFFAOYSA-N	309.837	3.583	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)c1cncn1-c1ccccc1	1343878407	WLNRUJAGOMZGHJ-UHFFFAOYSA-N	310.401	3.724	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCC#Cc1ccccn1	1345020359	LKRICPXGFDCYQY-HNNXBMFYSA-N	321.467	3.690	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1ccc(F)c(C(=O)O)c1	1605238261	SWLRMFNDMHYIPX-LLVKDONJSA-N	310.369	3.574	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)Nc2cccc(C)c2)c(C)c1	445953	IVMRILQIECNEKV-LFIBNONCSA-N	306.365	3.858	50	20	DHGD	
COc1ccc(-c2n[nH]cc2/C=C(/C#N)c2ccccn2)cc1	54215977	WXYGBZDMSVBWRO-UVTDQMKNSA-N	302.337	3.544	50	20	DHGD	
COc1ccccc1/C(C)=C/C(=O)NNc1cccc(Cl)c1	66606853	REVQKIICXYXTQX-ZRDIBKRKSA-N	316.788	3.895	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)c(F)c1)C1CCCCC1	73754340	JCVNGTZMXLVLGO-LCYFTJDESA-N	304.340	3.663	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	103276091	ZOXUJZOZSZOLNU-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ncoc1-c1ccccc1	119114804	SUGFZHKIXCUQGW-UHFFFAOYSA-N	311.316	3.546	50	20	DHGD	
CS[C@@H]1CCCCN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)C1	134563331	UYKXJFRMINEMOQ-INQNZLQJSA-N	317.414	3.677	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccccc2Br)c1	150784869	IKAIJJIARIAPBP-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
FC(F)(F)CO[C@@H]1CCCCC[C@H]1I	158360584	CJDMWKMZXSPCKN-HTQZYQBOSA-N	322.108	3.702	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc(-c2ccccc2)no1	158480638	HJNPQSPUKDEBCW-UHFFFAOYSA-N	313.744	3.752	50	20	DHGD	
CC(C)[C@@H]1CN(/C(=C/C#N)c2ccc([N+](=O)[O-])cc2)CCS1	177355647	OBRCPGKTUFJORU-NHKNYXOTSA-N	317.414	3.533	50	20	DHGD	
O=C(/C=C/c1cccc(OC2CCCC2)c1)NNc1ccccn1	181223992	YFJZYESSVJHVTB-VAWYXSNFSA-N	323.396	3.560	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1c(C)nn(CCC)c1C	255032144	SONCKXSDDPQYKN-VBKFSLOCSA-N	316.449	3.513	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2ccc(O)c([N+](=O)[O-])c2)c1C	255056478	YYDIJTRJTFSPHL-RIYZIHGNSA-N	322.320	3.707	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1ccc(-c2cccs2)cc1F	588555309	KCMYQOXUSWMZDO-JYRVWZFOSA-N	321.398	3.853	50	20	DHGD	
C=Cn1cc(/C=C(/C#N)C(=O)Nc2ccc(CCCC)cc2)cn1	588597140	SREAQLOADDBWJP-BOPFTXTBSA-N	320.396	3.872	50	20	DHGD	
COc1ccc(NNC(=O)c2cc(Cl)ccc2Cl)cc1	729273474	SPIQMXDTSNVSMI-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cccc(F)c1F	730732173	DYXWFXPSTXYBJU-KXPSEFJGSA-N	304.340	3.567	50	20	DHGD	
CC[C@@H](C(=O)NNc1ncccc1C(F)(F)F)c1ccccc1	740099964	HUYAAKCEWDVICB-GFCCVEGCSA-N	323.318	3.737	50	20	DHGD	
Cc1ccc2cccc(C(=O)NNc3c(F)cccc3F)c2n1	741286659	BWSLOCWDMAVYNG-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
COc1cc(F)cc(NNC(=O)C[C@H]2CCCCC2(C)C)c1	752147212	KZBHSWMLKJSVOW-GFCCVEGCSA-N	308.397	3.884	50	20	DHGD	
COc1ccccc1C(=O)NN=Cc1cc2ccccc2s1	758370589	OWFJFUHHNWNZHS-UHFFFAOYSA-N	310.378	3.674	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(C(F)(F)F)s1	761384101	DVWATBFKBOVWMQ-NTMALXAHSA-N	316.348	3.980	50	20	DHGD	
C=CCCC(CC)=NNC(=O)c1cc(-c2cccs2)[nH]n1	764785082	DKGVQAOOKQTOOQ-UHFFFAOYSA-N	302.403	3.600	50	20	DHGD	
CCc1ccc(-c2cc(C(=O)NN=C(C(C)C)C3CC3)n[nH]2)cc1	764788376	XBVPYUFGLKNCPY-UHFFFAOYSA-N	324.428	3.791	50	20	DHGD	
CN(C)C(=O)NN=CCCCc1ccc(Cl)c(Cl)c1	768769810	XCJRAHUHMTWHHJ-UHFFFAOYSA-N	302.205	3.573	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)OC[C@@H](C)CBr)cc1	770415775	SDYBLENNZWKNNQ-JTQLQIEISA-N	321.161	3.661	50	20	DHGD	
CCCOc1ccc(NC(=O)NNc2ccc(C#N)cc2)c(C)c1	775546987	MOWLUPQLSPLKAR-UHFFFAOYSA-N	324.384	3.804	50	20	DHGD	
CCCC[C@@H]1CCC[C@@H]1NC(=O)/C(C#N)=C/c1ccc(O)cc1	776644621	CHLORQZYCGBKLL-WQFSCWTBSA-N	312.413	3.774	50	20	DHGD	
CC1(C)CC[C@@H](C(=O)NNc2ccccc2C(F)(F)F)C1	781552255	ROEPSAVYTSGPFG-SNVBAGLBSA-N	300.324	3.975	50	20	DHGD	
C[C@@H]1CCCC[C@H]1CCNC(=O)/C(C#N)=C/c1ccc(O)cc1	787371781	XPUFGUZNDQJIOA-QBGPEFOPSA-N	312.413	3.632	50	20	DHGD	
C=CCCCCCC(C)=NNC(=O)COc1ccc(C#N)cc1	788954791	PUGAQZXBHQBZCI-UHFFFAOYSA-N	313.401	3.566	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccoc2)cc1OC(F)F	798229405	ASSPXNQVTIPDOF-SDQBBNPISA-N	319.263	3.679	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1c(C)nn(-c2ccccn2)c1C	801647889	JXTSDFDUIMQAQQ-RVDMUPIBSA-N	322.412	3.796	50	20	DHGD	
CCC/C=C\C(=O)NNC(=O)Nc1ccc(-c2ccccc2)cc1	802039038	VAFQVQSPHVJRNM-YHYXMXQVSA-N	323.396	3.863	50	20	DHGD	
CO[C@](C)(CNC(=O)CCCC[C@@H]1CCSS1)C1CC1	812553886	IYRMWSABJITLFX-UKRRQHHQSA-N	317.520	3.632	50	20	DHGD	
COc1ccccc1CC(=O)NNc1c(C)cccc1C(C)C	812768585	XJWDIVYACMXUFW-UHFFFAOYSA-N	312.413	3.813	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(C)nc1C)c1ccccc1	814845769	VERKQLHRLUAIPX-QGZVFWFLSA-N	309.413	3.732	50	20	DHGD	
CC(=NNC(=O)C1CCC1)c1sc(-c2ccccc2)nc1C	814846430	FICQQLSIGAYOAP-UHFFFAOYSA-N	313.426	3.759	50	20	DHGD	
COc1ccc(NNC(=O)CC(C)(C)C)c(C(F)(F)F)c1	816704435	SCZRBCVXBLBXDR-UHFFFAOYSA-N	304.312	3.593	50	20	DHGD	
COc1ccc(-c2nnc(NCCSSC)s2)cc1	817117244	AMHKPNOSPFYCPK-UHFFFAOYSA-N	313.473	3.637	50	20	DHGD	
COc1ccc(CCC(=O)NNc2ccccc2C)cc1Cl	817906821	IDJQZYNOZZPUNG-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
C[C@@]1(CNC(=O)c2ccsc2C(F)F)C[C@H]1Br	826859546	RXVKGDSPFMAZAF-HQJQHLMTSA-N	324.190	3.589	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C(C)C)s2)c(Cl)c1	836937758	LNNSTRGYAIAOES-UHFFFAOYSA-N	309.822	3.985	50	20	DHGD	
C[C@H](C(=O)NCCCSC#N)c1ccc(Cl)c(Cl)c1	854361406	CLYJUVHABCXMLB-VIFPVBQESA-N	317.241	3.817	50	20	DHGD	
O=C(NNc1ccc(Cl)cn1)C1CC(c2ccc(F)cc2)C1	856091737	ILZIUCYSUQXPEA-UHFFFAOYSA-N	319.767	3.511	50	20	DHGD	
CCCc1ccc(C(=O)NNc2cc(F)cc(OC)c2)s1	866880189	LAFSZPYNOCGOBL-UHFFFAOYSA-N	308.378	3.605	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccccc2)cc1N1CCCC1	881003803	FZPYIACZSNIYLD-UHFFFAOYSA-N	310.401	3.744	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccccc1COc1ccccc1	917606062	GWWQBTXZHKOOMB-SSZFMOIBSA-N	322.364	3.648	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1cccc(COc2ccccc2)c1	917606386	OIYNQCOUICRKIZ-DTQAZKPQSA-N	322.364	3.648	50	20	DHGD	
O=C(NN=C1CCc2c(F)cccc21)c1ccccc1Cl	1251316464	SOKZYKZQSCUUMX-UHFFFAOYSA-N	302.736	3.559	50	20	DHGD	
O=C(N[C@H]1CCCN(c2ccccc2)C1)C1CCC(Cl)CC1	1346521571	ZVQYIDUYVCZSHP-GPANFISMSA-N	320.864	3.569	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cc1	24369140	ITRXKPAXJBEANT-DTQAZKPQSA-N	306.365	3.655	50	20	DHGD	
N#C/C(=C/c1ccc(OC(F)F)cc1)C(=O)NC1CCCCC1	33402468	OQLHNSXMIMFAOM-RAXLEYEMSA-N	320.339	3.644	50	20	DHGD	
C[C@@H]1CCC[C@@H](C(=O)NNc2ncc(Cl)cc2Cl)C1	132427925	NPJXQUCYXQSXEH-RKDXNWHRSA-N	302.205	3.658	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)c2cc3ccccc3o2)cc1C	160403485	KUQUZYMORAPRSC-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
Cc1cc(C)cc(/C=C(\C#N)C(=O)N(CC(F)(F)F)C2CC2)c1	171982580	RVINMBPHOXPHLL-RIYZIHGNSA-N	322.330	3.764	50	20	DHGD	
Cc1cccc(NNC(=O)c2c(O)cc(Cl)cc2Cl)c1	175189989	PGRZNMMEMWRMIE-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
COc1c(C)cc(C(=O)NNc2cccc3cnccc23)cc1C	180444336	GDTUDWPFRPHABZ-UHFFFAOYSA-N	321.380	3.617	50	20	DHGD	
Cc1cccc(OCC(=O)NN=Cc2ccc(C(C)C)cc2)c1	251057963	ICDHOARSMXHYBO-UHFFFAOYSA-N	310.397	3.648	50	20	DHGD	
C[C@@H](Cc1ccc(Cl)cc1Cl)C(=O)N1CC=C(C#N)CC1	272702437	UVRWZDMSCCUZIP-NSHDSACASA-N	323.223	3.854	50	20	DHGD	
C=C(CBr)CN1CCC(c2ccc(O)cc2)CC1	279565822	YBVBFTLNCGXGJB-UHFFFAOYSA-N	310.235	3.523	50	20	DHGD	
CCC(=NNC(=O)c1cccc(C#N)c1)c1cccc(Cl)c1	728781215	HVUNLDLDHRASKK-UHFFFAOYSA-N	311.772	3.756	50	20	DHGD	
CC(=NNC(=O)Cc1c[nH]c2ccccc12)c1sccc1C	733746680	YFJNFUJKEZCPPU-UHFFFAOYSA-N	311.410	3.621	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cc(C)cc(C)c2)cc1	734304939	BNCJEPPFTRBVHC-YBFXNURJSA-N	304.393	3.835	50	20	DHGD	
CCCCC(COC)=NNC(=O)C12CC3CC(CC(C3)C1)C2	737420390	GGUNNEGFBZTYRD-UHFFFAOYSA-N	306.450	3.512	50	20	DHGD	
CC(=NNC(=O)CCc1ccccc1O)c1coc2ccccc12	747751433	MABCWNZUQVSOCL-UHFFFAOYSA-N	322.364	3.611	50	20	DHGD	
O=C(C=C(C1CC1)C1CC1)NNc1ccccc1Br	748060050	LROOJJSAYFQCJK-UHFFFAOYSA-N	321.218	3.639	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1C[C@]12CCc1ccccc12	748302403	MDPYKVDQCCLDDS-KDOFPFPSSA-N	312.800	3.687	50	20	DHGD	
N#Cc1ccc(C=NNC(=O)c2cccc3ccccc23)s1	748788106	AIPJXCXVRDSGFU-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
O=C(CC[C@@H]1CCCCO1)NNc1cc(Cl)ccc1Cl	752810588	KLQCCPQXZBIPKE-NSHDSACASA-N	317.216	3.786	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2CC[C@H](CC)C2)c1C	755485565	JGRZOTOKEPQHCP-GYKGCMEESA-N	313.445	3.680	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)[C@@H]1CCCC(C)(C)C1	755840933	KXHLMWZXDRIHAD-LLVKDONJSA-N	307.346	3.725	50	20	DHGD	
CS[C@@H](C)CC(=O)NN(Cc1ccccc1)c1ccccc1	756870165	GZPTYAHVWLHQJS-HNNXBMFYSA-N	314.454	3.866	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc3ccccc3cc2O)c1	760137223	QYKIFXKSDNBSFY-UHFFFAOYSA-N	310.328	3.750	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2ccc(C#N)c(C)c2)cc1	766489481	CNXOIIWAXHYXNL-VCHYOVAHSA-N	322.389	3.514	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	768495591	LWWBGQZZJNLZBU-MGPQQGTHSA-N	312.417	3.613	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2nc3c(s2)CCCC3)c1	776266015	NOUCSYHEEYQWLD-JLHYYAGUSA-N	324.405	3.820	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cc2ccccc2s1	780211857	KBUAKPNHRUDTTB-UHFFFAOYSA-N	300.305	3.694	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C2CCCC2)c(OC(F)F)c1	781555942	SJZGLWVRKIFXOR-JYRVWZFOSA-N	321.323	3.963	50	20	DHGD	
O=C(NN=Cc1ccsc1Cl)c1cccc2ncccc12	790162473	XYCPZIKSXXNKKA-UHFFFAOYSA-N	315.785	3.714	50	20	DHGD	
CSSCCNC(=O)N(C)Cc1cccc2ccccc12	790875109	GWUYUOXQEDBJFS-UHFFFAOYSA-N	320.483	3.992	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc(C(C)C)nc2ccccc12	791214573	FRBOGTHHCNFODB-UHFFFAOYSA-N	320.396	3.819	50	20	DHGD	
C=C(CBr)CN(C)CCOc1ccc(Cl)cc1	791439771	IPYGNQLKAVUGMR-UHFFFAOYSA-N	318.642	3.602	50	20	DHGD	
CCc1cccc2c(/C=C(\C#N)C(=O)[C@H]3CCCOC3)c[nH]c12	794883698	MIIUFJBGEGAPCI-AHSSXEFNSA-N	308.381	3.633	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)c1ccc([N+](=O)[O-])cc1	794928497	XWXTZLGHHSTKIV-OVCLIPMQSA-N	322.320	3.974	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)c2cccc(C3CCC3)c2)o1	798936687	DVYIRKRQSHJJCB-UHFFFAOYSA-N	324.384	3.694	50	20	DHGD	
O=C(CC1CC(c2ccccc2)C1)NNc1c(F)cccc1F	798981216	CTBMGZTZMYSOMM-UHFFFAOYSA-N	316.351	3.992	50	20	DHGD	
CCSCCCNC(=O)CCCC[C@@H]1CCSS1	800346479	UQVCNGWAEJSXOJ-GFCCVEGCSA-N	307.550	3.960	50	20	DHGD	
FC(F)CN(Cc1ccc(OCCCCl)cc1)C1CC1	811463123	LBZGNTPGAXLRAN-UHFFFAOYSA-N	303.780	3.924	50	20	DHGD	
O=C(NN=Cc1nccs1)Nc1ccc(Cl)cc1Cl	814995349	IDJCTFYORWIDPY-UHFFFAOYSA-N	315.185	3.606	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1c(F)cccc1Cl	828765638	DGBYRHAYPNNYAM-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
CC(C)(C)CCCC(=O)NNc1ccc(C(=O)O)c(Cl)c1	833429832	YFQXWDMDPLKQGZ-UHFFFAOYSA-N	312.797	3.698	50	20	DHGD	
C[C@H]1CC(=NNC(=O)c2ccc(C(C)(C)C)cc2)C[C@@H](C)O1	834928108	SGHSIUBCKLMUIX-BETUJISGSA-N	302.418	3.657	50	20	DHGD	
C[C@H](c1ccc(C(=O)N2CC=C(C#N)CC2)cc1)C(F)(F)F	836781360	GRITUUBLUWEJMG-LLVKDONJSA-N	308.303	3.648	50	20	DHGD	
CCn1nccc1/C=C(/C#N)n1c(C(C)C)nc2ccccc21	840722825	PARRZAVSQRHIIA-PTNGSMBKSA-N	305.385	3.898	50	20	DHGD	
Cn1cncc1CN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844346036	HTJCBHQOGOPPGA-UHFFFAOYSA-N	323.557	3.654	50	20	DHGD	
CC(C)CCC(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387660	MUKWLXGAFPMSJI-UHFFFAOYSA-N	324.837	3.738	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)Cc1cccc2ccccc12	853286597	KGQLBMRYUDGTIE-UHFFFAOYSA-N	307.397	3.814	50	20	DHGD	
CSSCCNC(=O)Cc1cc(Cl)cc(Cl)c1	861575163	CMLMSBIFOTYORE-UHFFFAOYSA-N	310.271	3.663	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)C1(c2ccnc3ccccc23)CC1	868373496	PKWRQIYLVJTZIF-UHFFFAOYSA-N	323.223	3.529	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1cc(CC#N)ccn1	871730604	BPOXAWVYSIIZCA-UHFFFAOYSA-N	323.400	3.728	50	20	DHGD	
CCN(Cc1ccccc1)c1ccc(C=NNC(=O)C(C)C)cc1	916328169	ZBZIQPPEZIKIGI-UHFFFAOYSA-N	323.440	3.819	50	20	DHGD	
COc1ccc(Cl)cc1C=NNC(=O)c1cccc(Cl)c1	917537808	BBBJKVVPHNGDCM-UHFFFAOYSA-N	323.179	3.766	50	20	DHGD	
CC[C@H](C(=O)NN=Cc1ccc(N)cc1Cl)c1ccccc1	1261222993	GHAGZVVGANTGAB-HNNXBMFYSA-N	315.804	3.566	50	20	DHGD	
CCCC[C@H](C(=O)NNC(=O)c1ccccc1Cl)C(C)C	1328482038	JFLJVGZJEMRZPE-LBPRGKRZSA-N	310.825	3.563	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2F)c1C	1777443740	RIBNWLFUOBQRJI-ZROIWOOFSA-N	323.323	3.931	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)Nc1ccccc1F	39130617	CCRPNXGQVJWSNT-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(-n3nc(C)cc3C)cc2)c1	78240186	HXDNTUZLRMYQLU-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2sccc2OC(F)F)c1	150784352	XLOYMSXGRVDBAW-UHFFFAOYSA-N	316.304	3.554	50	20	DHGD	
Cc1cc(OC(=O)/C=C/SCc2ccco2)ccc1[N+](=O)[O-]	150981875	TWXBKCHYTXSGFP-SOFGYWHQSA-N	319.338	3.849	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccccc2F)c1Br	152648538	RJBVUFHFMDACSX-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1ccc(Cl)cc1	156011531	MUSLZSHRFRRENE-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCc1ncsc1C(=O)NNc1c(Cl)cccc1Cl	162769277	UIKSKHDQQHHNRW-UHFFFAOYSA-N	316.213	3.769	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1cc(C2CC2)on1	178884688	JLGYFBCJIUDNQI-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
O=C(NNc1ccccc1Cl)Nc1cccc2[nH]ccc12	179817526	OINBHLYAYJXORL-UHFFFAOYSA-N	300.749	3.970	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccccc1Br	254508995	FZFFVMRPYYKQTI-UHFFFAOYSA-N	313.195	3.698	50	20	DHGD	
COCCC[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	272092796	DRZKUSNWJQQFLX-GFCCVEGCSA-N	317.341	3.716	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)OC(C)(C)C)co2)cc1	494002445	QLDKBTBKKSEAFJ-UHFFFAOYSA-N	301.346	3.509	50	20	DHGD	
O=C(NCCc1ccccc1C(F)(F)F)NNc1ccccc1	734269654	LPHWBEUPMJWNNL-UHFFFAOYSA-N	323.318	3.574	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)Cc1ccc(Cl)cc1	735269900	JHURAWZPCQSARM-CYBMUJFWSA-N	324.852	3.636	50	20	DHGD	
CC(=O)Nc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1	735620323	XGINYKGJFMETOQ-GDNBJRDFSA-N	316.364	3.894	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NNc2c(C)cc(C)cc2C)c1	743762060	UWLXEOJFKIFXSD-INIZCTEOSA-N	312.413	3.831	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/C=C/c2ccccc2)n1	746684672	SMYIQBQZVXSNFB-UYQSWCAZSA-N	310.378	3.940	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3c(C)cc(C)cc3[nH]2)cc1	746886355	KIWRCTPUCIPJQU-UHFFFAOYSA-N	309.369	3.550	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(C#N)c(C(F)(F)F)c2)c1	746893069	DQBPGPRDIVRYQE-UHFFFAOYSA-N	319.286	3.642	50	20	DHGD	
O=C(COc1ccccc1)NNc1cc(Cl)ccc1Cl	752811696	ZTKBBDQAYUICTH-UHFFFAOYSA-N	311.168	3.516	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)C1Cc2ccccc2C1	761447659	IRFXVXPNOAABHE-UHFFFAOYSA-N	320.314	3.564	50	20	DHGD	
N#C/C(=C\c1ccc(-n2cccn2)cc1)C(=O)C1CCCCC1	767735213	AFOMNOHFKVOXDH-GHRIWEEISA-N	305.381	3.929	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C\c1ccc(C)c(Br)c1	767877509	FCYZFQRNOVYXSM-JYRVWZFOSA-N	321.218	3.581	50	20	DHGD	
C[C@H](CBr)COC(=O)c1c(F)cccc1Cl	770311847	DEIUCVPMVIQUHL-SSDOTTSWSA-N	309.562	3.667	50	20	DHGD	
CCCCC[C@@H](CC)C(=O)NNC(=O)c1c[nH]c2ccccc12	775641672	ARHOYBQYHAVNBE-CYBMUJFWSA-N	315.417	3.535	50	20	DHGD	
CC(=NNC(=O)c1cc2ccccc2o1)c1ccc(C#N)c(F)c1	776778784	WUQOJMKBVOEFGD-UHFFFAOYSA-N	321.311	3.598	50	20	DHGD	
Cc1ccc(F)cc1C=NNC(=O)c1cc(-c2ccccc2)on1	777881886	KFFJJXNIYHFRBL-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
C[C@@H]1CN(C(=O)[C@H](Br)C(C)(C)C)c2ccccc21	781074994	LWWQMRYDCDZRJH-MFKMUULPSA-N	310.235	3.946	50	20	DHGD	
N#C/C(=C/c1cccc(Br)n1)C(=O)C1CCCC1	781555120	ZDAGRYCURFCVIC-FLIBITNWSA-N	305.175	3.510	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	785612251	NJJHHGKHBMXWFD-AWEZNQCLSA-N	311.307	3.622	50	20	DHGD	
CC(C)c1ccc(C(=O)[C@H](C)OC(=O)/C(C#N)=C/C2CC2)cc1	786668497	GYMQIESUBDTHNB-VZWMTCDZSA-N	311.381	3.784	50	20	DHGD	
COc1cc(NNC(=O)Nc2cc(C)cc(F)c2)ccc1Cl	788642281	UXBPCRKDZZTDNP-UHFFFAOYSA-N	323.755	3.945	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(F)ccc1O	791739250	JLSKGBAFIWQWGW-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)C1CCOCC1	794959022	RHPORDDLYPQPFJ-LFYBBSHMSA-N	310.180	3.896	50	20	DHGD	
CCOC1(C(=O)NNc2ccc(Cl)cc2Cl)CCCC1	802823817	GSGGULSIFGEBHQ-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
CC1(C)CCC(CC(=O)NNc2nccnc2C2CCC2)CC1	805463420	ULDYFBWKSSOBLD-UHFFFAOYSA-N	316.449	3.794	50	20	DHGD	
C/C(N)=C(\C#N)c1nc(C)c(Cc2ccc(F)cc2F)s1	806553159	IRUPLIKSOUOTEE-WQLSENKSSA-N	305.353	3.534	50	20	DHGD	
Cc1cc2ccc(C(=O)NNc3ccc(C#N)c(Cl)c3)cn2c1	807239769	CPSFARCWPNLTRC-UHFFFAOYSA-N	324.771	3.530	50	20	DHGD	
COc1ccc(CNCc2ccc(OCCCCl)cc2)cc1	811472030	SDWZKHIGXKKPQD-UHFFFAOYSA-N	319.832	3.993	50	20	DHGD	
CCC(C=NNC(=O)C(=O)Nc1ccc(C)c(C)c1)(CC)CC	814768637	GNLHUDZAFVFYNI-UHFFFAOYSA-N	317.433	3.560	50	20	DHGD	
Cc1ccc2nc(C(=O)NNc3cccc(Cl)c3)ccc2c1	814888483	BMZYBSFRQPHJGT-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC1(C)CCCC[C@@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832969359	WZPSJLDFBFMRCM-LLVKDONJSA-N	315.339	3.760	50	20	DHGD	
CC(C)(C)OC(=O)c1cccc(/C=C(/C#N)C(=O)C(C)(C)F)c1	834446603	BWOLPCXAQJMWAA-UVTDQMKNSA-N	317.360	3.866	50	20	DHGD	
CC[C@@H](Oc1ccccc1C(C)C)C(=O)NCC(Cl)Cl	837649847	WNPSZXCIPQCFFQ-GFCCVEGCSA-N	318.244	3.887	50	20	DHGD	
Cc1cc(C)c([C@@H](C)OC(=O)/C(C#N)=C/c2cnn(C)c2)c(C)c1	837970427	CVOBPAJXWLNKGW-LJZSXMKHSA-N	323.396	3.557	50	20	DHGD	
CS[C@H]1CC[C@H](NC(=O)NNc2ccc(C)cc2Cl)C1	838492520	BHZUZRPGYJFMBH-QWRGUYRKSA-N	313.854	3.559	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C[C@H]2CCCOC2)C1	844337651	TUSKZIXHOSUPNF-HZPDHXFCSA-N	313.558	3.899	50	20	DHGD	
Cc1cc(OC(=O)CC[C@H]2CC2(Cl)Cl)ccc1[N+](=O)[O-]	850766808	UJGIWOQIYJWPIW-VIFPVBQESA-N	318.156	3.783	50	20	DHGD	
CC(C)(C)OCCCC(=O)NNc1ccc(F)cc1Cl	885137346	USRGCJNSHSLRIR-UHFFFAOYSA-N	302.777	3.518	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)c1ccnn1C1CCCC1	885137474	YZKITZJHKWSPBY-UHFFFAOYSA-N	322.771	3.548	50	20	DHGD	
C=CCN(CC=C)C(=O)/C(C#N)=C/c1cc(C)n(CCC)c1C	885316510	XJSNHCJVXURYJG-QGOAFFKASA-N	311.429	3.623	50	20	DHGD	
CS[C@H]1CCCC(=NNC(=O)c2cccc3ncccc23)C1	901189006	JSBCIVSZWYRKAT-ZDUSSCGKSA-N	313.426	3.626	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cncn2C(C)C)c1C	901420083	JOOGBTITMACBOP-NVNXTCNLSA-N	308.385	3.627	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)N[C@@H]2CCCC[C@H]2C)cc(C)c1O	915843603	KFHHZYSHVRISCN-YYBNDNGMSA-N	312.413	3.611	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OC(C)C)cc1OCC(C)C	915853902	VSGBMBNBWFOURY-OVCLIPMQSA-N	317.385	3.589	50	20	DHGD	
CC(C)C(=O)NN=Cc1ccc(Oc2cc(F)cc(F)c2)cc1	921256330	MRLURRZJZOHWPB-UHFFFAOYSA-N	318.323	3.863	50	20	DHGD	
COc1cc(O)ccc1/C=C(\C#N)C(=O)c1cc2ccccc2o1	1115821845	RUGNXODNOGGMEF-RIYZIHGNSA-N	319.316	3.937	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2cc(C)cc(C)c2)c1	1319204753	ZRAPWEBHRUWWML-WOJGMQOQSA-N	319.360	3.880	50	20	DHGD	
CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(CC)cc2)c(C)n1	1347734699	BNHRJHDNYGRGTP-LFIBNONCSA-N	322.412	3.710	50	20	DHGD	
O=C(N[C@@H](c1ccccc1)[C@@H]1CCOC1)C1CCC(Cl)CC1	1548679820	IYCKXVHHXXLYRA-MYBQVCMBSA-N	321.848	3.678	50	20	DHGD	
CC[C@@H](CC(=O)NNc1cccc(C(=O)O)c1C)C(C)(C)C	1595036942	JQUOYBGTGYFRMA-LBPRGKRZSA-N	306.406	3.599	50	20	DHGD	
CC(C)C[C@@H]1CCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046409	OUKGVTLMCIWQQZ-ZDUSSCGKSA-N	317.389	3.709	50	20	DHGD	
COc1cccc(/C=C(/C#N)c2nc3ccccc3n2C)c1OC	33405954	OKAMULSIRCBUAV-KAMYIIQDSA-N	319.364	3.655	50	20	DHGD	
Cc1cccc(OCCCC(=O)NNc2ccc(F)cc2F)c1	66326406	ONMJWZASVZUEKR-UHFFFAOYSA-N	320.339	3.576	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ncccc2Cl)cc1	114886384	KIYLUECIKBUWOA-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
Cn1cc(C(=O)NNc2cccc3c2CCCC3)c2ccccc21	120158291	NQXIICCJOZZCFK-UHFFFAOYSA-N	319.408	3.814	50	20	DHGD	
C=CCOc1ccccc1C(=O)NNc1ccccc1Cl	158224838	SQMBVCRVPMFMCE-UHFFFAOYSA-N	302.761	3.662	50	20	DHGD	
CC[C@H](NS(=O)(=O)CCCCCl)c1cccc(Cl)c1	163428875	KAVXBIKVNAXXTQ-ZDUSSCGKSA-N	324.273	3.730	50	20	DHGD	
CC(C)c1ccccc1OCCC(=O)NNc1ccc(F)cc1	179057182	RPWAAVCUDBOIRZ-UHFFFAOYSA-N	316.376	3.861	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)c1ccccc1OC(F)F	186423727	SBTUKJQDKJQMQO-XFFZJAGNSA-N	318.254	3.612	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)Nc2ccccn2)c1C	255289083	CBWUOYIGYHMOFL-ATVHPVEESA-N	322.412	3.846	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)[C@H]1CCCOC1	280079965	RCOPRYXUZIIJTA-AHSSXEFNSA-N	324.405	3.713	50	20	DHGD	
CC(C)(C(=O)NNc1ccc2c(O)nccc2c1)C1CCCC1	285755256	QRYDVOBSIIFJPR-UHFFFAOYSA-N	313.401	3.600	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)c2ccccc2OC(F)F)o1	588384600	NNNDBMGMUVDOCV-FLIBITNWSA-N	303.264	3.979	50	20	DHGD	
CCC[C@@H](CC)NS(=O)(=O)c1ccc(CCCCl)cc1	726975214	YZHKLRXIBRRXJA-CQSZACIVSA-N	317.882	3.715	50	20	DHGD	
CC[C@H](C(=O)NNC(=O)C[C@@H]1CCCC[C@@H]1C)c1ccccc1	732000238	GZPVWCXFSBRUOU-XIRDDKMYSA-N	316.445	3.544	50	20	DHGD	
CC(=NNC(=O)O)c1c(F)cccc1O[C@H](C)c1ccccc1	736121620	ONVJICQNEBPQMG-GFCCVEGCSA-N	316.332	3.957	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H](C)c1cccs1	737494671	WJPCTBJOUXAZQI-NSHDSACASA-N	305.355	3.982	50	20	DHGD	
CCCCCCNC(=O)/C(C#N)=C\c1nccc2ccccc12	740765114	QDKPEUVUZRTRJM-SSZFMOIBSA-N	307.397	3.838	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2cccc(N(C)C)c2)cc1	744182103	JTZMYDWATKAMMU-WQRHYEAKSA-N	320.392	3.711	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2cc(F)c(F)c(F)c2)cc1	746703191	KKJIPIBKWDYDCR-SNVBAGLBSA-N	322.330	3.913	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2Cl)c1	747825061	WPERKCCQMXPBCM-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC[C@H](OC1CCCCC1)C(=O)NNc1ccccc1Cl	748332664	NEWMCNMKLLLEDU-HNNXBMFYSA-N	310.825	3.911	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1CCCc2ccccc21	749273679	RRFAYMNRJBITPH-MRXNPFEDSA-N	300.789	3.903	50	20	DHGD	
CC1(C)CCCC[C@H]1CC(=O)NNc1cccc([N+](=O)[O-])c1	752142032	BCLCUIICDLYKGN-LBPRGKRZSA-N	305.378	3.644	50	20	DHGD	
Cc1cccc(C(=O)NNc2nccc3sccc23)c1F	761568496	RPMPUTYUWYMOBY-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
CC[C@H](C(=O)NN=CC1Cc2ccccc2C1)c1ccccc1	766451793	WJWZGALAKZZUNB-IBGZPJMESA-N	306.409	3.697	50	20	DHGD	
Cc1cccc2c1CC[C@@H]2NC(=O)[C@@H](Br)C(C)(C)C	767968252	LOAWIJWPTFZDSR-UONOGXRCSA-N	324.262	3.908	50	20	DHGD	
C[C@@H](CBr)COC(=O)Cc1c(F)cccc1Cl	770333278	RZZFWFRKDSDKAW-QMMMGPOBSA-N	323.589	3.596	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc2cnccc2c1)c1ccccc1	780004264	JUGGDGHYERKOIU-PDGQHHTCSA-N	313.360	3.805	50	20	DHGD	
CSSCCNC(=O)N[C@H]1c2ccccc2CC[C@H]1C	790875352	JKXGQDSLXZOHKJ-BXUZGUMPSA-N	310.488	3.620	50	20	DHGD	
CSSCCNC(=O)COc1ccc(C(C)C)c(C)c1	791116112	HVBPSAXMQLZJSO-UHFFFAOYSA-N	313.488	3.625	50	20	DHGD	
C=C(CBr)CN1CCSC2(CCCCC2)C1	791473406	UTDMSKJTKGSGHJ-UHFFFAOYSA-N	304.297	3.689	50	20	DHGD	
Cc1cc(C(=O)NNc2cc(Cl)cc(Cl)c2)ccc1O	791721065	WEJRZEFFADEULA-UHFFFAOYSA-N	311.168	3.764	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H]1Cc2ccc(F)cc21	792941533	HVCRXIRPQJIAAS-LBPRGKRZSA-N	324.277	3.628	50	20	DHGD	
Cc1cccc(C(=O)NN=C[C@H](C)c2cccc(Cl)c2)n1	794571490	CLIBLVVPHRQWIN-NSHDSACASA-N	301.777	3.563	50	20	DHGD	
CC[C@H]1CCCC[C@@H]1C(=O)NNc1nccc2sccc12	795102834	UHOQTYGCCYVOCQ-RYUDHWBXSA-N	303.431	3.956	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1OCC1CC1)c1ccncn1	797405817	IVXYESKZHRFYJC-VGOFMYFVSA-N	311.772	3.983	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cc(C2CC2)no1	799729769	RKKRLKMNJLEQSU-UHFFFAOYSA-N	312.156	3.616	50	20	DHGD	
CC[C@H](C(=O)NN=C1CCCC12CCOCC2)c1ccccc1	799879489	DLVHGYKYMMEXQF-INIZCTEOSA-N	314.429	3.633	50	20	DHGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=CCCC1CC1	807965962	NUSUXYACZUNGDA-UHFFFAOYSA-N	313.323	3.681	50	20	DHGD	
CC(C)=CCOc1cccc(C(=O)NCC(Cl)Cl)c1	808131490	WLWLPHDOTPIAPJ-UHFFFAOYSA-N	302.201	3.565	50	20	DHGD	
CC(C)(C)C[C@@H](CO)NCc1ccc(OCCCCl)cc1	811484972	RAGRHYYYHMKTEH-HNNXBMFYSA-N	313.869	3.581	50	20	DHGD	
CO[C@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1ccccc1	814685912	QTCNENZMEPWFIP-MJGOQNOKSA-N	322.408	3.755	50	20	DHGD	
CCN(c1ccc(C(=O)N(C)CC(Cl)Cl)cc1)C(C)C	816628077	GYNXWGLQNHTYLP-UHFFFAOYSA-N	317.260	3.797	50	20	DHGD	
CC(C)COc1cccc(C(=O)NNc2cccc(Cl)n2)c1	817010049	JSRGHGLBTQQSJA-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
CO[C@H]1CCC[C@@H](CC(=O)NNc2c(C)cccc2Cl)C1	836937573	YWHKYQZKCJKTKA-OLZOCXBDSA-N	310.825	3.687	50	20	DHGD	
CC[C@@H](NCc1ccc(OCCCCl)cc1)[C@H](O)C(C)C	840969136	YMBUYWOXTOONTO-IAGOWNOFSA-N	313.869	3.579	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCC(F)(F)CC2)c1C	842520910	USNSLJCVXKWMDT-ZDUSSCGKSA-N	324.371	3.752	50	20	DHGD	
Cc1cc(NC(=O)NNc2nccnc2C(C)C)ccc1Cl	847252677	YFMPKCWCYULISY-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2cccc(C#N)n2)C1	853896792	KZPWPMFIRVVMTC-OAHLLOKOSA-N	317.509	3.944	50	20	DHGD	
Cc1cc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)nc(C)n1	853897473	IFIYMAVKSMNCKB-CQSZACIVSA-N	307.514	3.694	50	20	DHGD	
C[C@]1(CNCc2cnc(C3CCC3)s2)C[C@@H]1Br	856807466	OESVPLXGFXSOCF-WCQYABFASA-N	315.280	3.674	50	20	DHGD	
C[C@]1(CNC(=O)Nc2ccccc2Cl)C[C@@H]1Br	856810951	CLBKTVUVGUBFDL-CMPLNLGQSA-N	317.614	3.635	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)c1ccc2c(c1)OCO2	863066308	ARBNPNQWRBNZMI-UHFFFAOYSA-N	324.380	3.544	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)CCCc1nccs1	885127477	TVFVAKLYGKBMFL-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
N#C/C(=C\c1cnn(CC2CCC2)c1)C(=O)c1ccccc1F	899343386	VIXHSWNREZUDQK-OVCLIPMQSA-N	309.344	3.612	50	20	DHGD	
CCC(C[C@H](C)CC)=NNC(=O)c1cc(Br)c[nH]1	915957043	LAJLRXJDGFLOPR-SECBINFHSA-N	314.227	3.709	50	20	DHGD	
CCC(=NNC(=O)c1ccc2ccccc2n1)c1cccs1	916244304	RGSSSALFXRVKDA-UHFFFAOYSA-N	309.394	3.840	50	20	DHGD	
COc1cccc(C(C)=NNC(=O)c2ccc(Cl)cc2)c1	916254471	XMOPVZNBWLUQKI-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
O=C(COc1ccc(F)cc1)NN=C1CC[C@H]2CCCC[C@H]2C1	916331199	HWUGVVKTBHXDLZ-KGLIPLIRSA-N	318.392	3.667	50	20	DHGD	
O=C(NN=Cc1cccnc1)c1cc2c(s1)CCCCCC2	916350444	LUCDKCWEDHNDRN-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
O=C(CCc1nc2ccccc2o1)NNc1ccccc1Cl	916746017	ZXAUDHIPABJVGZ-UHFFFAOYSA-N	315.760	3.557	50	20	DHGD	
CC(C)CC(=NNC(=O)CNc1ccccc1)c1cccs1	917534243	QKFVMWRRLGTLEV-UHFFFAOYSA-N	315.442	3.727	50	20	DHGD	
CC[C@@H](C)n1nc(NC(=O)NNc2ccc(F)c(F)c2)cc1C	930717356	PSEWVBNMAFWDKT-SECBINFHSA-N	323.347	3.589	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)Nc1ccn(C(C)C)n1	931243392	FEFKNWAIOPKTCH-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
Cc1c(C#N)cccc1C(=O)NNc1cc(Cl)ccc1Cl	1321412501	YQFNYKGCZSFUCC-UHFFFAOYSA-N	320.179	3.930	50	20	DHGD	
Cc1cc(NNC(=O)Nc2cnn(C(C)(C)C)c2)ccc1Cl	1354686287	MYJLTVFZHFZYHN-UHFFFAOYSA-N	321.812	3.749	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1ccc(OC(F)F)cc1	114928848	OLFWCLSFNBGHCO-NSHDSACASA-N	321.327	3.675	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCc1ccc(O)cc1	125207024	VNFASWBDNAPMHP-CQSZACIVSA-N	311.472	3.723	50	20	DHGD	
CCCN(Cc1ccccc1O)C[C@@H](C)CBr	133840197	PBVDIVNVKHEBPJ-LBPRGKRZSA-N	300.240	3.635	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2cc(Cl)cc(Cl)c2)cc1	155565458	FGEGRISUPMJNQV-UHFFFAOYSA-N	306.152	3.622	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2ccccc2Cl)cc1	158409344	OOZZPALFCLRKBT-UHFFFAOYSA-N	317.820	3.943	50	20	DHGD	
CCN(Cc1ccccc1Cl)S(=O)(=O)CCCCCl	163415360	MSYJEQXEQYILMZ-UHFFFAOYSA-N	324.273	3.511	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)CC(C)C)ccc1OC(F)F	171019980	UAJIPSRGXAHQLN-KPKJPENVSA-N	309.312	3.819	50	20	DHGD	
COc1cc(/C=C(\C#N)c2ccccn2)c(SC)cc1OC	172698773	JWFSIFWQNJKIGG-MDWZMJQESA-N	312.394	3.885	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ccc(Cl)c(F)c3)cc2n1	175407456	TVGVADUAINMJEN-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)N(CC1CC1)c1ccccc1	185816701	VCLPCNSHPQWJCK-SFQUDFHCSA-N	318.376	3.742	50	20	DHGD	
CCCOc1cc(/C=C(/C#N)C(=O)c2ccco2)ccc1OC	212655436	YIGJMUFLFRZWCL-UVTDQMKNSA-N	311.337	3.867	50	20	DHGD	
Cc1cc(F)ccc1-c1ccc(/C=C(/C#N)C(=O)NC(C)C)o1	255422095	HXPIUSJLTNBKGQ-LCYFTJDESA-N	312.344	3.826	50	20	DHGD	
COCc1ccccc1NC(=O)[C@H](Br)C(C)(C)C	272635476	WGBPIOHGHJTTTA-LBPRGKRZSA-N	314.223	3.581	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C[C@@H]2CCO[C@@H](C(C)C)C2)c1	272885282	WDZICJYOWAGYLQ-NVXWUHKLSA-N	304.434	3.588	50	20	DHGD	
CSSCCNC(=O)c1cc(SC)ccc1Cl	284070855	LXWCRHDNZVJPQF-UHFFFAOYSA-N	307.893	3.803	50	20	DHGD	
CCCc1nc(C)c(C(=O)NNc2c(C)cccc2CC)o1	293495658	BCDAFRYZBDEETG-UHFFFAOYSA-N	301.390	3.563	50	20	DHGD	
CC1(C)[C@H]2OCC[C@@H]2[C@H]1NCc1ccc(OCCCCl)cc1	368227052	NGSSACBHFLPQQQ-ZACQAIPSSA-N	323.864	3.597	50	20	DHGD	
COC(=O)N(C)N=C/C(C)=C/c1ccccc1C(F)(F)F	495678140	WBVSTROKSIAKKE-VPBCOVHZSA-N	300.280	3.793	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1csc(-c2cccs2)n1	588555760	XLPJICZKFPORBQ-XFFZJAGNSA-N	324.452	3.561	50	20	DHGD	
N#C/C(=C/c1csc([N+](=O)[O-])c1)C(=O)c1cc(F)cc(F)c1	588597544	OFRQFVYWEQPYDC-LAFDYMOFSA-N	320.276	3.724	50	20	DHGD	
Cc1ccc(-c2cc(C(=O)NNc3ccc(F)cc3C)n[nH]2)cc1	748562400	NHUYPJRZTGCYSN-UHFFFAOYSA-N	324.359	3.590	50	20	DHGD	
CC[C@@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1C	748571135	VDOVFSGSBYVKRX-HNNXBMFYSA-N	300.377	3.846	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1ccc(Cl)nc1	752809662	GFCYSWHQEOJIIG-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2c(F)cccc21	763920350	HJOPNMBGXHTJAM-FRKPEAEDSA-N	309.300	3.661	50	20	DHGD	
Cc1ccc2c(c1)N(/C(=C\C#N)c1ccc([N+](=O)[O-])cc1)CC2	764322729	IVJZBDCURMNYRP-IUXPMGMMSA-N	305.337	3.830	50	20	DHGD	
Cc1ccc(C(C)C)c(OCC(=O)NN=C[C@@H](C)CCC#N)c1	765993530	OJLVFCIFSNXWAQ-HNNXBMFYSA-N	315.417	3.539	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)O[C@@H](C#N)C1CCCCC1	766747371	XUZITBUQDIJGRF-RYUDHWBXSA-N	316.239	3.812	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1Cl)C(=O)NC1CCCCC1	767716383	AYVWILLJCIVSCG-XYOKQWHBSA-N	306.768	3.835	50	20	DHGD	
Cc1ccccc1C1(C(=O)OC[C@H](C)CBr)CC1	770371807	SEWVTYYKRXDCFC-LLVKDONJSA-N	311.219	3.601	50	20	DHGD	
C[C@H](CBr)COC(=O)C[C@H](C)c1cccc(F)c1	770375621	REHZMGKFTVFBQE-MNOVXSKESA-N	317.198	3.894	50	20	DHGD	
C[C@@H](CBr)COC(=O)CCc1ccc2[nH]ccc2c1	770420180	MOSYMAMNRRQNFC-NSHDSACASA-N	324.218	3.675	50	20	DHGD	
COc1cccc([C@H](C)NC(=O)NNc2c(C)cccc2F)c1	771298647	AXUYGNZQESTQKG-LBPRGKRZSA-N	317.364	3.530	50	20	DHGD	
COc1ccc(CCC=NNC(=O)CC2CCCC2)c(C)c1	777433863	NJCFOOSLBACPQI-UHFFFAOYSA-N	302.418	3.619	50	20	DHGD	
CCC[C@H](NC(=O)NNc1cc(Cl)ccn1)c1ccccc1	778597016	LRGMAGSQVYNVHY-AWEZNQCLSA-N	318.808	3.903	50	20	DHGD	
Cc1ccc(-c2c[nH]cc2C(=O)NN(C)c2ccccc2)s1	779378115	KXHGFDJTVMZKOK-UHFFFAOYSA-N	311.410	3.833	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2csc(C=O)c2)cc1	781041032	DSHORMKOYJGAEP-UHFFFAOYSA-N	302.399	3.615	50	20	DHGD	
CN(C(=O)[C@H](Br)C(C)(C)C)[C@H]1CCc2ccccc21	781068220	IVTKJQHQQVDHBQ-KBPBESRZSA-N	324.262	3.942	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cnc(-c2ccc(Cl)cc2)s1	788994182	GVYNRBGZIPRBSW-SNVBAGLBSA-N	321.833	3.960	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)(F)F)s1)C(=O)[C@@H]1CCCOC1	794883377	LAJQJKXCHPNPCT-WPVMNKCKSA-N	315.316	3.670	50	20	DHGD	
Cc1cc(OC(=O)C[C@H](CC#N)c2ccccc2)ccc1[N+](=O)[O-]	796532302	CKBFFAVUPYMYSO-HNNXBMFYSA-N	324.336	3.896	50	20	DHGD	
N#C/C(=C\c1ccc(Br)cc1)C(=O)c1ccoc1	798230580	SATGJMZFMTXBJI-KPKJPENVSA-N	302.127	3.832	50	20	DHGD	
Cc1ccnc2ccc(C(=O)NNc3ccccc3Cl)cc12	802827193	RXFQVYUWOZZFIK-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)[C@@H]1CCC[C@H]2CCCC[C@H]21	803226502	XPUHNWDPTFEYIS-RBSFLKMASA-N	316.449	3.650	50	20	DHGD	
COc1cc(NNC(=O)c2occc2C(C)C)ccc1Cl	803261150	NEUSQJVJAZDMJD-UHFFFAOYSA-N	308.765	3.822	50	20	DHGD	
O=C(NNc1ncccc1F)c1cc2c(Cl)cccc2s1	804218248	QXGQTYZHCCEBQD-UHFFFAOYSA-N	321.764	3.846	50	20	DHGD	
C[C@@H](NCc1ccc(OCCCCl)cc1)[C@H]1CCCOC1	811489090	VUPNYEIQFWWALL-ZBFHGGJFSA-N	311.853	3.599	50	20	DHGD	
N#CSCCCNC(=O)C1(c2cccc(F)c2)CCCCC1	819698943	QAHULQREGZTECC-UHFFFAOYSA-N	320.433	3.748	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2cnn(C)c2C2CC2)cc1	836527640	RBEBVNZMWYHNQM-UHFFFAOYSA-N	313.405	3.570	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)C[C@@H](C)c1c(C)noc1C	836932585	BPCRXBCBMZYPIS-SNVBAGLBSA-N	321.808	3.890	50	20	DHGD	
Cc1cc(C)n([C@@H](C)CC(=O)NNc2ccc(C(C)C)cc2)n1	837055305	DEMVLFWEXZLAJR-HNNXBMFYSA-N	314.433	3.718	50	20	DHGD	
CC[C@H](CNC(=O)NNc1ccccc1Cl)CC(F)(F)F	840432045	LFVFGTSDUXCXJH-VIFPVBQESA-N	323.746	3.945	50	20	DHGD	
CC(C)C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccccn1	851921515	TZWRPMKBNHQSJP-ZNMIVQPWSA-N	311.267	3.932	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)CSc1ccc(C)cc1	853275843	OZCVCECTZYRFPF-UHFFFAOYSA-N	303.431	3.519	50	20	DHGD	
C[C@H](C=NNC(=O)OCC(F)(F)F)c1cccc(Cl)c1	853429910	RWAXWNKLPBFUJA-MRVPVSSYSA-N	308.687	3.718	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@H](C)Oc2cccc(Cl)c2)c1	857830907	GXLHPHMORPEOEA-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
Cc1noc(C2CC2)c1NC(=O)NNc1ccc(F)c(Cl)c1	860929120	FNQOOTWNFSKAAJ-UHFFFAOYSA-N	324.743	3.802	50	20	DHGD	
CC(=NNC(=O)CC(C)C)c1sc2nc(C)nc(C)c2c1C	863966772	NXDPTMFCGYBQHA-UHFFFAOYSA-N	318.446	3.503	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)N(CC)CC)c1C	876788720	HHCGQDHLKQIBEM-SFQUDFHCSA-N	301.434	3.680	50	20	DHGD	
C[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)[C@@H]1C	916650319	CQHBQHZYURFEKN-ITYXMMEOSA-N	300.377	3.674	50	20	DHGD	
CC(C)c1ccc(C=NN(C)C(=O)OC(C)(C)C)cc1[N+](=O)[O-]	920381498	UFFANNCIWFVVQH-UHFFFAOYSA-N	321.377	3.919	50	20	DHGD	
Cc1cc(NNC(=O)c2nnc(C(C)(C)C)s2)ccc1Cl	928339361	DDWLDEVMJGOOJH-UHFFFAOYSA-N	324.837	3.554	50	20	DHGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)Cc2ccccc2O1	1123886575	GFNJACLQCVAPMS-OPFPJEHXSA-N	307.821	3.594	50	20	DHGD	
CC1(C)CCC(CC(=O)NNC(=O)c2ccccc2Cl)CC1	1319510797	VHQLUIYCBNVFHO-UHFFFAOYSA-N	322.836	3.708	50	20	DHGD	
CC(C)c1nc(C=NNC(=O)CCCc2ccccc2)cs1	1322394511	XPMLGBQQISKBND-UHFFFAOYSA-N	315.442	3.740	50	20	DHGD	
COc1cccc(C2=CCN(C(=O)C3CCC(Cl)CC3)C2)c1	1346735490	QJDVQTWIULQAHL-UHFFFAOYSA-N	319.832	3.718	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1CCCCC(=O)O	1590451185	DWYWXBAZFVELKM-CQSZACIVSA-N	315.530	3.728	50	20	DHGD	
CC(C)c1ccc(NC(=S)NNC(=O)OC(C)(C)C)cc1	6514253	PSBPXBOQNRSMMS-UHFFFAOYSA-N	309.435	3.536	50	20	DHGD	
Clc1cc(CI)c(Cl)nc1Cl	98181068	NQDCWUVYAIQOSE-UHFFFAOYSA-N	322.360	3.977	50	20	DHGD	
CC(C)(C)CC(=O)/C(C#N)=C\c1cnn(-c2ccc(F)cc2)c1	102846737	JASYPCASRZDCLM-ZSOIEALJSA-N	311.360	3.924	50	20	DHGD	
CC[C@H](Sc1ccccc1)C(=O)NNc1ccccc1F	152916773	QOWSUQQOLSUOHU-HNNXBMFYSA-N	304.390	3.840	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc2cc(F)ccc2o1	158506223	GTGQTUZPZIKBAH-UHFFFAOYSA-N	304.708	3.982	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccccc2C(F)(F)F)cn1	269327805	ALROBOGMEDECPX-UHFFFAOYSA-N	323.318	3.981	50	20	DHGD	
COc1ccccc1C(C)(C)C(=O)NNc1c(C)cccc1F	274574859	GIYIDGCYWAJPRA-UHFFFAOYSA-N	316.376	3.564	50	20	DHGD	
N#C/C(=C/c1ccc([N+](=O)[O-])cc1)c1cnc2ccccc2n1	588580889	UCZGLBGHOKPIAO-LCYFTJDESA-N	302.293	3.602	50	20	DHGD	
C=C1CCN(C(=O)/C(C#N)=C/c2cc(C)n(CCC)c2C)CC1	731052455	RQBHQIUPDVEBTB-LDADJPATSA-N	311.429	3.601	50	20	DHGD	
Cn1c(C(=O)NNc2nccc3sccc23)cc2ccccc21	734249792	GVQFAKUDKMVLDE-UHFFFAOYSA-N	322.393	3.545	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)NNc3cc(F)c(F)cc3F)cc2c1	734553356	MBRBSYKHWSWWFQ-UHFFFAOYSA-N	319.286	3.651	50	20	DHGD	
Cc1ccc(CC(=NNC(=O)CNc2ccccc2)C(C)C)cc1	741453560	STUUCFJXOGTTLZ-UHFFFAOYSA-N	323.440	3.778	50	20	DHGD	
CCCCCC[C@@H](C)C(=O)NNC(=O)c1ccc(CC)cc1	741887173	HDEHANUUTATSLZ-CQSZACIVSA-N	304.434	3.617	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@@H]1C	747015067	QHHATQWHVFQMRF-DRHRHSHTSA-N	312.413	3.606	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2csc(C(C)(C)C)n2)c1	748381674	MAXGEHXSQIUSAV-UHFFFAOYSA-N	303.431	3.814	50	20	DHGD	
Cc1cc(F)ccc1C=NNC(=O)c1cc(-c2ccccc2)on1	750933206	YROQHSNSKCOUKR-UHFFFAOYSA-N	323.327	3.553	50	20	DHGD	
O=C(CCCc1cccs1)NN=C[C@@H]1C[C@H]1c1ccccc1	755726579	FDMKZUUQMAPRLQ-RDJZCZTQSA-N	312.438	3.977	50	20	DHGD	
CC[C@H](c1ccccc1)N(CC)CCI	759350518	FFTRINPNULGTGO-CYBMUJFWSA-N	317.214	3.895	50	20	DHGD	
C[C@@H]1CCC[C@H](C=NNC(=O)Nc2ccc(N(C)C)cc2)C1	768360803	ANMCCGACQXKKPS-KGLIPLIRSA-N	302.422	3.686	50	20	DHGD	
O=C(NNc1nc2ccccc2[nH]1)c1occc1-c1ccccc1	768495175	LZXXLQFUIRIEGF-UHFFFAOYSA-N	318.336	3.580	50	20	DHGD	
CCSc1cccc(C=NNC(=O)Cc2ccccc2F)c1	769780499	XCNVWDUWAZAYBY-UHFFFAOYSA-N	316.401	3.631	50	20	DHGD	
C[C@H](CBr)COC(=O)/C=C/c1ccc(Cl)s1	770315223	AULNUBOGVQQFNI-RYEJSQLPSA-N	323.639	3.989	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)NCCCSCC(C)C	771341895	DJDVKNFHXMXLMY-UHFFFAOYSA-N	313.442	3.540	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(Cc2ccc(F)cc2)CC1	783686210	UDOKZWHXLMDEQK-UHFFFAOYSA-N	316.351	3.739	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1ccc(Br)cc1F	784446719	NPWWRUPNXJIFNJ-UHFFFAOYSA-N	317.202	3.714	50	20	DHGD	
CC(C)(C)c1cnc(COC(=O)/C(C#N)=C\c2ccccc2)o1	785377650	GQFDNCPLFADEDX-ZROIWOOFSA-N	310.353	3.622	50	20	DHGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C/c2ccc(O)cc2)C1	787316811	ADJXQWGZZHGXFX-HQDPLKFASA-N	312.413	3.630	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1cc(Cl)ccc1OCC1CC1	797401303	BMTXULAYWDTIGI-LLVKDONJSA-N	308.809	3.625	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cc(-c2ccccc2)no1	799755470	LEIYGVULXLODSG-UHFFFAOYSA-N	321.380	3.969	50	20	DHGD	
CC[C@@H](C)CCC(=O)NNc1ccc(OC(F)(F)F)cc1	802829479	SCFTVQBQYXGCGH-SNVBAGLBSA-N	304.312	3.855	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc([N+](=O)[O-])cc2C)cc1C	806088535	XQYWQWAEYWOWEC-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
O=C(NN=C1CCCC12CCCC2)c1cc(-c2ccccc2)[nH]n1	814706651	KXZFXHDTJLEMER-UHFFFAOYSA-N	322.412	3.907	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NN=C1CC2(CC2)C1	814749358	YRBGNSKKKGHOKC-ZDUSSCGKSA-N	308.381	3.653	50	20	DHGD	
CCc1ccc([C@H](C)C(=O)NNc2cccc(Cl)n2)cc1	817011817	KYRAJGPQRVRVLY-NSHDSACASA-N	303.793	3.544	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)C12CC3CC(CC(C3)C1)C2	821356631	RPDQWXAHQILIQH-UHFFFAOYSA-N	320.477	3.711	50	20	DHGD	
O=C(CC1CC(F)(F)C1)NNc1cc(Cl)ccc1Cl	826569509	RVGYVKLJIZIBAM-UHFFFAOYSA-N	309.143	3.872	50	20	DHGD	
COCCCCN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	844347778	NPEANEBWGDTGLJ-HNNXBMFYSA-N	301.547	3.899	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCCC1CSC1	854981036	VWPPSOAVDRUUSH-GFCCVEGCSA-N	305.534	3.570	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@@H]1CC12CCC2	856234078	LQVYFHLXOGWIFU-VIFPVBQESA-N	307.806	3.583	50	20	DHGD	
C[C@@]1(CNCc2cccc(OC(F)F)c2)C[C@H]1Br	856806956	JJTUDIFUVRCUBK-YPMHNXCESA-N	320.177	3.551	50	20	DHGD	
C[C@]1(C(=O)NNc2nccc3sccc23)C[C@H]2CC[C@H]1C2	863874825	AZUGGPOOVGAPEQ-MMPTUQATSA-N	301.415	3.566	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NCCCC(C)C)c1C	914506121	QGLJTXDSQQMYLV-LDADJPATSA-N	315.461	3.974	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1)c1ccc(F)c(F)c1	916253610	BBVCQJZSMXJORA-UHFFFAOYSA-N	308.715	3.772	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H]2CCCc3occc32)c(C)c1	916577119	KABBWYBWXJJDME-HNNXBMFYSA-N	313.401	3.909	50	20	DHGD	
Cn1c(/C(C#N)=C2/COc3ccc(F)cc32)nc2ccccc21	918155855	XNMWMIFMXSINIF-YPKPFQOOSA-N	305.312	3.539	50	20	DHGD	
N#C/C(=C/c1ccc2ncccc2c1)c1nc(N)c2ccccc2n1	1317847612	NGUZNQGVJHCTCZ-PTNGSMBKSA-N	323.359	3.824	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)C1(Oc2ccccc2)CC1	1325439542	OWMYIOSWEJJJAK-UHFFFAOYSA-N	322.408	3.620	50	20	DHGD	
CSSCCNC(=O)N[C@H](C)c1ccc(Cl)c(F)c1	1327715939	FBUNMXVGYBSFKE-MRVPVSSYSA-N	322.858	3.851	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@]2(CCSC2)C1	1352281504	MTDOQIBSVBKDKL-SSDMNJCBSA-N	301.883	3.530	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1ccc(C(=O)O)c(Cl)c1	1594791630	OCFKKRMCDSSBPC-YRNVUSSQSA-N	305.761	3.950	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2cccnc2)c(C)n1CC(C)C	42697705	XHHIPVOZYSNGTO-MFOYZWKCSA-N	322.412	3.702	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2cccc(C)c2C)c1	59133142	CFKJBARXNDADNV-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
Cc1cccc(NNC(=O)C2(c3cccc(Cl)c3)CC2)c1	74087638	WVWBCCCVJDYZPS-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
Clc1ccc([C@H](CBr)O[C@@H]2CCOC2)cc1	82454945	ZBPWKOPZYFQBHG-NEPJUHHUSA-N	305.599	3.582	50	20	DHGD	
COc1ccccc1C[C@@H](C)CC(=O)NNc1cccc(F)c1	154704708	FYPCIGOHOIJGMJ-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
C[C@@H](SCc1ccccc1)C(=O)NNc1cccc(F)c1	155029700	GHMAYZFHBWWJRL-GFCCVEGCSA-N	304.390	3.591	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CCCc1ccccc1	156196600	QKTNOCKDGAYRJF-UHFFFAOYSA-N	315.325	3.532	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N[C@H](c1ccc(F)cc1)C1CCCC1	159194839	FAQBNQFSROKVLU-KSVUCXBSSA-N	316.376	3.617	50	20	DHGD	
Cc1ccc2cc(C(=O)NNc3c(C)cccc3F)ccc2n1	184301461	YXNQDXSMMLWDDU-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nnc3n2CCCCC3)c(C)n1C1CC1	192549392	SSGBXHACUPTOAX-LFIBNONCSA-N	321.428	3.822	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1ccccc1Cl	490727201	YWDBUJXZSCPFNC-NTMALXAHSA-N	318.785	3.956	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CC2(CCCC2)[C@H]1c1ccccc1	491082373	IQRCXGLVXOWPKM-HJUDDPQBSA-N	310.397	3.574	50	20	DHGD	
CCCN(N=Cc1c(F)ccc(O)c1F)C(=O)OC(C)(C)C	495812361	YQJFKJVRXRMHMB-UHFFFAOYSA-N	314.332	3.651	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC2(CCCCC2)CC1	588516011	MGUQUNREIXNZFB-VKAVYKQESA-N	324.424	3.872	50	20	DHGD	
O=C(NN=C1CCSc2c(Cl)cccc21)c1ccccc1	731922804	MUCHXZXXPRXTSO-UHFFFAOYSA-N	316.813	3.970	50	20	DHGD	
COCCCOc1cccc(/C=C(\C#N)C(=O)c2ccccc2)c1	746340612	NAOMACRAUFUIOB-QGOAFFKASA-N	321.376	3.892	50	20	DHGD	
Cc1ccc(S(=O)(=O)/C(C#N)=C/c2cc(F)cc(F)c2)cc1	755576432	MGVBFKGRUHFNPG-LZYBPNLTSA-N	319.332	3.612	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCCCC1(C)C	761270673	BNVWDOCZWQDABK-UHFFFAOYSA-N	320.458	3.860	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1ccc(C#N)c(C(F)(F)F)c1	762819173	PYAHOGLBEDHWLA-YFHOEESVSA-N	311.307	3.767	50	20	DHGD	
O=C(Cc1ccco1)NN(Cc1ccccc1)c1ccccc1	764609821	VSYRLBBNCRLHHH-UHFFFAOYSA-N	306.365	3.560	50	20	DHGD	
Cc1cc2c(O)nc([C@H]3CC[C@H](Br)C3)nc2s1	765983368	VDLDELRADYBBRC-YUMQZZPRSA-N	313.220	3.736	50	20	DHGD	
Cc1cccc(CN(C)C(=O)[C@H](Br)C(C)(C)C)c1	767031784	WUOPBJIUSCYXHL-ZDUSSCGKSA-N	312.251	3.763	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1cscn1	767900922	PPACTBLIMWOPDL-UHFFFAOYSA-N	308.794	3.651	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N1CCc2c(-c3ccccc3)cccc21	768532614	MVUSZTUGXRRJBS-JQIJEIRASA-N	318.376	3.687	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2c(C)cccc2F)cc1	771706485	FZFCLHPHKSEYSE-UHFFFAOYSA-N	308.303	3.678	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1ccccc1F	773150946	PZBLLTXMJLKKON-OWBHPGMISA-N	317.323	3.801	50	20	DHGD	
CC(C)c1cccc(CNC(=O)NNc2cccc(C#N)c2)c1	776196686	IOQLCMSMWNTWRF-UHFFFAOYSA-N	308.385	3.508	50	20	DHGD	
O=C(NN=C1CC(c2cccc(F)c2)C1)c1ccccc1F	781575009	GVVDRSGXXZYFOC-UHFFFAOYSA-N	300.308	3.628	50	20	DHGD	
N#CCC1CCN(C(=O)CCCC[C@H]2CCSS2)CC1	782054481	CCDOLVAAUNZNLI-AWEZNQCLSA-N	312.504	3.853	50	20	DHGD	
Cc1cccc([C@@H](C)OC(=O)/C(C#N)=C/c2ccc(O)cc2)c1	784019631	GZCJPEAIJUXIPL-SWEABUAFSA-N	307.349	3.912	50	20	DHGD	
CCc1ccc(/C=C(/C#N)C(=O)NCc2cccc(Cl)c2)o1	786106657	PHWVNZOXXFFDBZ-LCYFTJDESA-N	314.772	3.719	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N(CC1CC1)C1CCC1	794390200	GBAWLAXIILPRRU-LBPRGKRZSA-N	302.256	3.587	50	20	DHGD	
CCCOc1ccc(C(C)=NN(C)C(=O)OC)cc1OCCC	794963959	POLCNTOGWRDECA-UHFFFAOYSA-N	322.405	3.686	50	20	DHGD	
C=Cc1ccc(C(=O)NNc2ncnc(Cl)c2C(C)C)cc1	798142670	VMOKQETWIJWQKP-UHFFFAOYSA-N	316.792	3.653	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(OC(F)F)cc1F	801863622	PDTZEZBBQYPVNQ-UHFFFAOYSA-N	311.263	3.576	50	20	DHGD	
CCCCC[C@@H](C(=O)NNC(=O)Nc1ccccc1)C(C)C	801985696	DOIQWQTXRJSLNG-OAHLLOKOSA-N	305.422	3.692	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ncccc2F)cc1Cl	804219482	IWICWJYLKOQBQC-UHFFFAOYSA-N	307.756	3.754	50	20	DHGD	
Cc1nc(CC(C)C)c(C(=O)N(C)CC(Cl)Cl)s1	808245900	IEMWUMYPKIZZHK-UHFFFAOYSA-N	309.262	3.526	50	20	DHGD	
C#Cc1ccccc1CC(=O)NNc1ccc(C(C)(C)C)cc1	810982256	SPPGCKLAQXNLIK-UHFFFAOYSA-N	306.409	3.651	50	20	DHGD	
CCOC(=O)NN=C(CSC)c1ccc(C(F)(F)F)cc1	814693329	JXRIEOIINJHKLW-UHFFFAOYSA-N	320.336	3.519	50	20	DHGD	
CC(CCCCCCC(=O)O)=NNC(=O)c1ccccc1C	814764391	AKCUEQQNIAIYJU-UHFFFAOYSA-N	304.390	3.526	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1CCN(c2ccccc2)C1	831243880	ZGXJXKYPGRECEC-QGZVFWFLSA-N	323.440	3.527	50	20	DHGD	
Cc1ccc(NNC(=O)C(C)(C)C2CCOCC2)c(Cl)c1	836934682	DXADCTKXXAENEW-UHFFFAOYSA-N	310.825	3.544	50	20	DHGD	
CC(C)c1ccsc1C(=O)NC[C@]1(C)C[C@H]1Br	857399097	BNJFJDDHRBGTMF-MFKMUULPSA-N	316.264	3.775	50	20	DHGD	
CC(C)[C@H](C(=O)NN[C@H](C)C(F)(F)F)c1cccc(Cl)c1	862310780	FPXMURATEJEENJ-SKDRFNHKSA-N	322.758	3.651	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)cc2F)n1	920388554	ZGAPXZXKWFDBGH-BJMVGYQFSA-N	320.320	3.662	50	20	DHGD	
C[C@@H]1[C@@H](C(F)(F)F)CCCN1C(=O)C1CCC(Cl)CC1	1123693066	ZXMMBIFMZZLTPD-YYJSSNLHSA-N	311.775	3.973	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2CC23CCSCC3)cc1Cl	1344062448	PSHGMRCYIGOYBW-GFCCVEGCSA-N	310.850	3.625	50	20	DHGD	
Cc1cc(/C=C(\C#N)c2nc(C(C)C)cs2)oc1C(=O)O	1600185971	HJUWNBCFJNVPMJ-BJMVGYQFSA-N	302.355	3.930	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C/c1c(F)cccc1F	7158044	MMZFLJRFZADTBK-PIQUAJRNSA-N	304.340	3.567	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccc(OCc2ccccc2)cc1	104203634	ZUSSPPIJFGCPNG-DTQAZKPQSA-N	322.364	3.648	50	20	DHGD	
C[C@H](NC(=O)NNc1ccccc1)c1cccc(OC(F)F)c1	114928780	GJVLDDMVDYUQSF-NSHDSACASA-N	321.327	3.675	50	20	DHGD	
Cc1ccc(NNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1	120411736	AWHZAPAJCRPFKO-UHFFFAOYSA-N	300.789	3.823	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C/c1ccccc1C#N	120706278	KSCSVACKLDFRSD-LICLKQGHSA-N	301.349	3.721	50	20	DHGD	
CC(C)CC1(C(=O)NNc2ccc(OC(F)F)cc2)CCC1	121912105	YTMFEQNNIBCCQQ-UHFFFAOYSA-N	312.360	3.948	50	20	DHGD	
C[C@@H](CBr)CN[C@@H](c1ccccc1)c1ccccn1	133928757	WOUHGWGBQCZYLG-BBRMVZONSA-N	319.246	3.792	50	20	DHGD	
CCO[C@]1(CI)[C@H]2CC[C@@H](C2)C1(C)C	157944240	UVCBWLLZHQLAAD-JBLDHEPKSA-N	308.203	3.653	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(C#N)cc2)cc1Cl	163124974	IWIHFSJLMURCOM-UHFFFAOYSA-N	300.749	3.669	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(N3CCCC3)nc2)s1	176955430	ROHCGGKPWPDTKH-GDNBJRDFSA-N	323.421	3.842	50	20	DHGD	
C[C@H]1CC[C@H](CCC(=O)NNc2ccc(C(C)(C)C)cc2)O1	181160358	LINAQNVEVBVEMD-XJKSGUPXSA-N	304.434	3.775	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cn(C)nc2C(C)(C)C)cc1	184837637	FGVXMDJLIRMQOB-GDNBJRDFSA-N	307.397	3.816	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccccn2)cc1Br	211372653	IXGFGNCXWBQKRM-WQLSENKSSA-N	315.170	3.917	50	20	DHGD	
CCSc1cccc(/C=C(\C#N)C(=O)[C@@H]2CCCOC2)c1	281164586	PKCQADQXNXNKRX-UWZYDCLUSA-N	301.411	3.701	50	20	DHGD	
CC(C)c1scnc1C(=O)NNc1cccc2c1CCCC2	290882261	BMTHKWKPGBSHSV-UHFFFAOYSA-N	315.442	3.902	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCO[C@@H](c2ccccc2)C1	386318794	DZOISDLZERKUHL-QGZVFWFLSA-N	315.800	3.639	50	20	DHGD	
C[C@@H](c1cccs1)N(C)C(=O)/C(C#N)=C/c1ccc(O)cc1	490910073	PTTIGXXEYTULKP-LQELWAHVSA-N	312.394	3.580	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)NCC1(c2ccccc2)CC1	588429094	QOHZPEQZRJGNQM-VBKFSLOCSA-N	320.367	3.581	50	20	DHGD	
CCN(C(=O)/C(C#N)=C/c1ccc(O)cc1)[C@@H]1CCCC[C@@H]1C	588605821	MUYVNBVBJZTIIG-QBDRBRNDSA-N	312.413	3.726	50	20	DHGD	
Cc1csc(CC(=O)NN=C2CCC[C@@H]2CCC(C)C)n1	727255019	BCHBVZOPTXMDND-CYBMUJFWSA-N	307.463	3.703	50	20	DHGD	
CCCC[C@@H]1CCCC1=NNC(=O)COc1ccc(F)cc1	727257157	UZIUNTGWXYWABT-CYBMUJFWSA-N	306.381	3.667	50	20	DHGD	
CC(=NNC(=O)C(C)(C)c1ccccc1)c1ccc(O)c(C)c1	731152735	RGYODEHQOQLZAW-UHFFFAOYSA-N	310.397	3.519	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1cccc(OC)c1)c1ccccc1	731932113	ZDOZOFJJXKANIV-GOSISDBHSA-N	310.397	3.729	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1)c1ccc(Cl)nc1	732528020	CPIJVVOPOGNPHV-CQSZACIVSA-N	313.788	3.789	50	20	DHGD	
CC(C)[C@H](Cc1ccccc1)C(=O)NNc1ccc(F)cc1	739689074	DMHGWDFHSQGJDI-KRWDZBQOSA-N	300.377	3.784	50	20	DHGD	
O=C(CCCC1CCCC1)NNc1ncccc1C(F)(F)F	743480483	JGBGAVZSFBBOJX-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)C1[C@@H]2CCC[C@@H]12	748527680	JGNJEMRHKZPMSU-QZTJIDSGSA-N	306.409	3.771	50	20	DHGD	
C/C=C(/C=C\C(=O)NNc1ccc([N+](=O)[O-])cc1Cl)CC	748725923	SJFKVQOIHJPHNQ-IKJNXXLOSA-N	309.753	3.604	50	20	DHGD	
Cc1cccc(N2CCN(/C(=C\C#N)c3ccc(F)cc3)CC2)c1	750600429	XCCPBCPUNSRVFZ-UKWGHVSLSA-N	321.399	3.821	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C)c1Cl	755059522	ROOWJLMQXRTMQO-UHFFFAOYSA-N	321.716	3.784	50	20	DHGD	
N#C/C(=C/c1cccc(Cl)c1F)C(=O)NC1CCCCC1	759642742	JRLUQKJHDOTQIX-XFXZXTDPSA-N	306.768	3.835	50	20	DHGD	
CCN(Cc1ccc2c(c1)OCO2)/C(=C\C#N)c1ccc(F)cc1	764185796	DBODJBFTYKTYHS-MFOYZWKCSA-N	324.355	3.941	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1cc(C(F)F)ccc1Cl	767689451	GBPVXVYQHTYBSP-CLFYSBASSA-N	300.692	3.660	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)NC1CCCC1	768019930	CAXIACFAGKODJM-UHFFFAOYSA-N	306.168	3.701	50	20	DHGD	
CC[C@@H]1C[C@@H](C)CCC1=NNC(=O)c1ccc(O)c(Cl)c1	769586561	QWHFMVGZXVENFO-WDEREUQCSA-N	308.809	3.978	50	20	DHGD	
CSCc1cccc(NC(=O)NNc2ncccc2Cl)c1	770031342	SFHWSJHRNPNXNU-UHFFFAOYSA-N	322.821	3.747	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)c1nccs1	770146149	PLHNIXJDBHETFA-UHFFFAOYSA-N	322.604	3.860	50	20	DHGD	
N#C/C(=C/c1ccc(C#N)cc1F)C(=O)c1c[nH]c2ccccc12	772805581	HFOKHPUPQDGSNA-ZSOIEALJSA-N	315.307	3.969	50	20	DHGD	
CC(C)(C(=O)NN=Cc1ccc(Cl)cc1F)c1ccccc1	783515916	CRAPUABBNNIADQ-UHFFFAOYSA-N	318.779	3.907	50	20	DHGD	
N#C/C(=C\c1ccccc1F)C(=O)NCc1cccc(Cl)c1	786044021	DMNXLXJKOOFTDK-NTEUORMPSA-N	314.747	3.702	50	20	DHGD	
O=C(NNc1cccc(F)c1[N+](=O)[O-])Nc1cccc(Cl)c1	790469094	LQTRXMXJPKZLOT-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
O=C(NN(Cc1ccccc1)c1ccccc1)c1cccnc1F	791197163	OZSLGWZYQWBYHY-UHFFFAOYSA-N	321.355	3.572	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc(Cl)c(C)c1	795549922	CUDUREGFZPRSPU-UHFFFAOYSA-N	303.583	3.756	50	20	DHGD	
CC[C@H]1CC[C@H](C)CC1=NNC(=O)c1c(C)nc2ccccn12	797400017	KJIPVBHXCLJARR-JSGCOSHPSA-N	312.417	3.575	50	20	DHGD	
C[C@@H](CBr)CNC(C)(C)COCc1ccccc1	799186923	ILRKDJNYKSRTPJ-ZDUSSCGKSA-N	314.267	3.602	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C)cc1-c1ccnn1C	801648088	NJVFALGRGCMMST-VQCBNXJZSA-N	307.397	3.918	50	20	DHGD	
O=C(NNc1ncccc1F)[C@H]1C[C@@H]1c1ccc2ccccc2c1	804213798	QMWGRDOZRQNSCP-CVEARBPZSA-N	321.355	3.621	50	20	DHGD	
CC(C)c1nccnc1NNC(=O)Nc1cccc(F)c1Cl	806769686	NBYLRBHCZOSRHY-UHFFFAOYSA-N	323.759	3.541	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NN=Cc2ccc(Cl)o2)cc1	814741892	TWTULLVKTSWGQD-UHFFFAOYSA-N	304.777	3.994	50	20	DHGD	
O=C(NN=C1CCCC[C@H]1CCCO)c1cccc2ccccc12	814855235	IKVMJZYIPFCGLI-INIZCTEOSA-N	324.424	3.888	50	20	DHGD	
N#C/C(=C/c1c(Cl)ccc(Cl)c1Cl)C(=O)NC1CC1	817913936	TVEHIZIJMDTENB-ALCCZGGFSA-N	315.587	3.832	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@@H]1CCO[C@@H](C(C)C)C1	821769347	FLZBSSOLMZVSJF-TZMCWYRMSA-N	310.825	3.543	50	20	DHGD	
CN(NC(=O)Nc1cccc(CSC2CCCC2)c1)C1CC1	824198658	HJJGDKWYHXMVBG-UHFFFAOYSA-N	319.474	3.993	50	20	DHGD	
C[C@@H](c1ccccc1)N(Cc1ccccc1)S(=O)(=O)CCl	830240781	OUBSFVMDFYOAQP-AWEZNQCLSA-N	323.845	3.776	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)[C@H]1CCCCCC(=O)C1	836936147	GQFCGGJWGVGJRC-LBPRGKRZSA-N	308.809	3.631	50	20	DHGD	
C[C@@H]1C[C@H](NC(=O)NNc2cc(Cl)cc(Cl)c2)CS1	840413811	LBQRAXDLQOKLII-HQJQHLMTSA-N	320.245	3.514	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)[C@@H]1C[C@H]1c1cccs1	841622756	CPDAYTOXTCFELT-UONOGXRCSA-N	314.410	3.666	50	20	DHGD	
CCC[C@H](OC)C(=O)NNc1ccccc1Cc1ccccc1	846460945	HJRIFFUOXUUVNA-SFHVURJKSA-N	312.413	3.536	50	20	DHGD	
Cc1ccc(N2CCC[C@H](O[Si](C)(C)C(C)(C)C)C2)nn1	853897887	VFOZKRBLAJRQDA-AWEZNQCLSA-N	307.514	3.776	50	20	DHGD	
O=C(NNc1ccnc(Cl)c1)c1scnc1C1CCCC1	855465013	CWCMVPRHOCAAQF-UHFFFAOYSA-N	322.821	3.606	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(C#N)c(F)c1	857083722	ZFAVLQWDSSESDU-FZZIBODNSA-N	311.198	3.521	50	20	DHGD	
CC(C)=CCC[C@@H](C)CC(=O)NNCC(F)(F)C(F)(F)F	863102743	UWOGUMMTOJJJHW-SNVBAGLBSA-N	316.314	3.577	50	20	DHGD	
CC[C@@](C)(CC(=O)O)C(=O)Nc1c(C)cc(SC#N)cc1C	872833769	YSPCXRJAYLRSNW-INIZCTEOSA-N	320.414	3.706	50	20	DHGD	
CC(C)n1ncc2cc(NC(=O)NCC(Cl)Cl)ccc21	878748158	SBVHPMCZMLHMSC-UHFFFAOYSA-N	315.204	3.542	50	20	DHGD	
CCCC(=NNC(=O)c1ccccn1)c1ccc(Cl)cc1	916245345	OWCJLFGGOFHPNH-UHFFFAOYSA-N	301.777	3.669	50	20	DHGD	
COc1ccc(CCC(=O)NN=C/C(C)=C/c2ccccc2)cc1	920378035	SOIASRIETMAMLN-GDXQVIOJSA-N	322.408	3.833	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCS[C@H]2CCCC[C@H]21	1123657294	KDQYRXILBKBCCN-PQAZSJQKSA-N	301.883	3.671	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Br)cc1)[C@H]1C[C@H]1C	1325298886	PLHYWOCPXMGPBA-SKDRFNHKSA-N	309.207	3.601	50	20	DHGD	
c1ccc(-c2nnc(CCCC[C@@H]3CCSS3)o2)nc1	1326067765	GKRLLKUWPTZPOT-LLVKDONJSA-N	307.444	3.998	50	20	DHGD	
O=C(NNc1cccc(F)c1F)[C@H]1CCC[C@H]1c1ccccc1	1326479929	CCYVTYKOULMKJK-KBPBESRZSA-N	316.351	3.992	50	20	DHGD	
CC[C@@H](NC(=O)c1cccc(CCl)c1)c1c(C)noc1C	1337200708	JLJBMQJHCFIBRT-CQSZACIVSA-N	306.793	3.911	50	20	DHGD	
O=C(Cc1ccc2ccccc2c1)NNC(=O)CC1CCCCC1	53604471	QTLKBMQPWYMNSX-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
Cc1cccc(NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1	72514200	SKELVYLNFLAPML-LBPRGKRZSA-N	300.427	3.938	50	20	DHGD	
CC[C@@H](C(=O)NNC(=O)C1(CC(C)C)CCC1)c1ccccc1	120002761	CSSDEJAITUNCCF-MRXNPFEDSA-N	316.445	3.544	50	20	DHGD	
CC(C)CCC(=O)NNc1ccc(OCC(F)(F)F)cc1	124936363	YMSOSMVKUQJKMC-UHFFFAOYSA-N	304.312	3.507	50	20	DHGD	
COCc1ccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)o1	130290444	AXLCOJPNFWGOPQ-ZROIWOOFSA-N	310.353	3.589	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ncc(Cl)cc1Cl	132521129	IPPJGMDYRFJNCH-UHFFFAOYSA-N	302.205	3.802	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1)c1nc(-c2ccncc2)cs1	141737390	LCBJTXJHQIUMIM-RIYZIHGNSA-N	305.362	3.975	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1CCCC[C@@H]1C(F)(F)F	152960112	PZMTZIUYOWVWDW-UWVGGRQHSA-N	304.287	3.638	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccncc2Cl)cc1	154619971	SIBPJLMCQXSWIX-UHFFFAOYSA-N	303.793	3.789	50	20	DHGD	
O=C(NNc1ccncc1Cl)C1(c2ccc(Cl)cc2)CC1	154675289	VQPIHMXDWVOBEU-UHFFFAOYSA-N	322.195	3.563	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cc(F)cc3cccnc23)c1	159472026	NPBZPNXDVBKXHF-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1c[nH]nc1-c1ccc(OC)cc1	171019470	VFLCSCOFUQGGNW-XNTDXEJSSA-N	323.396	3.998	50	20	DHGD	
CSc1ccc(C(=O)NNc2cc(F)c(F)cc2F)cc1	172086899	UKVDFCRBAGKIPS-UHFFFAOYSA-N	312.316	3.583	50	20	DHGD	
CS[C@@H](C(=O)NNc1c(F)cccc1F)c1ccccc1	172405014	BGYNPJBKQLVTKM-CQSZACIVSA-N	308.353	3.512	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCCC2)nc1)C(=O)c1ccc(F)cc1	176953694	RLUIYNUUCZDPTO-WJDWOHSUSA-N	321.355	3.611	50	20	DHGD	
C[C@@H](C(=O)NNc1cccc2cnccc12)c1cccc(F)c1	178508043	CUCFHIIOGKSBPB-GFCCVEGCSA-N	309.344	3.621	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)Cc2ccccc2F)cc1	181136084	KTWOEIZZLUCMNN-UHFFFAOYSA-N	300.377	3.809	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2c[nH]nc2-c2ccsc2)c1	188851026	IFQDZTYYGGOVKN-UHFFFAOYSA-N	312.398	3.512	50	20	DHGD	
Cc1nc2c(s1)[C@@H](N(C)C[C@H](C)CBr)CCC2	248731791	QDWCQLLWOUZWCT-SKDRFNHKSA-N	317.296	3.792	50	20	DHGD	
Cc1cc(C(=O)NN=Cc2cccc(Cl)c2)c2ccccc2n1	252628215	SLDVWGRJOLHVGA-UHFFFAOYSA-N	323.783	3.961	50	20	DHGD	
CC(=NNC(=O)c1cccn1C)c1ccc(-c2ccccc2)cc1	725845855	KHCMJRWHZWXGSJ-UHFFFAOYSA-N	317.392	3.846	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cccnc2Cl)c1C	728696112	NGNWMFKILWYVKB-ZROIWOOFSA-N	311.772	3.898	50	20	DHGD	
Cc1ccc2c(Cl)c(C(=O)NNC(=O)C(C)(C)C)sc2c1	729319365	VJQTTXCFWIMKCY-UHFFFAOYSA-N	324.833	3.670	50	20	DHGD	
COc1ccccc1CC(=O)NN=C(C)c1coc2ccccc12	747754268	SNITUBFAYSCSLF-UHFFFAOYSA-N	322.364	3.524	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cccc([N+](=O)[O-])c1C	748671095	YVZHXEACHLFVSC-UHFFFAOYSA-N	307.394	3.953	50	20	DHGD	
O=C(NNC(=O)C1CCCCCCC1)c1cc2ccccc2o1	749477760	TWDLUFRLJDIBNY-UHFFFAOYSA-N	314.385	3.554	50	20	DHGD	
O=C(NCCc1cccs1)NN=Cc1ccccc1C1CC1	751134254	VWCQGLPFYWGSCY-UHFFFAOYSA-N	313.426	3.501	50	20	DHGD	
COc1cccc(-c2nc(/C=C(/C#N)c3ccncn3)cs2)c1	758911696	KDPOAOGZLZLRQW-QPEQYQDCSA-N	320.377	3.673	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C/c2cnc(Cl)c(C)c2)c1	760212458	YEBRCNPFOPXRPJ-VGOFMYFVSA-N	312.756	3.842	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc3nc(C)sc3c2)c1	762138298	LPKSWYDRUNZTDK-UHFFFAOYSA-N	311.410	3.978	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)Nc1cccc2ccncc12	768252319	JIZFVUOTIPCZIK-CYBMUJFWSA-N	321.218	3.983	50	20	DHGD	
C[C@H](Oc1ccc(F)cc1)C(=O)NN=C[C@@H]1CCC[C@@H](C)C1	768348924	CHIOKCKPSDAUKO-HZSPNIEDSA-N	306.381	3.521	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)cs1)c1nc(-c2ccccc2)no1	782199582	HVAJDVOQNLNZIT-WDZFZDKYSA-N	323.333	3.560	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc(C2CC2)nc2ccccc12	791215350	QLPIUVDFBQVLNC-UHFFFAOYSA-N	318.380	3.573	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C/c1ccccc1Br	797339734	VEKMPWJQZVOXJM-JLHYYAGUSA-N	321.218	3.662	50	20	DHGD	
C/C(C=NNC(=O)NC(C)C)=C/c1ccccc1C(F)(F)F	799877117	NJQAAFUMRNRTIV-BRBAHIAASA-N	313.323	3.802	50	20	DHGD	
CC[C@H](C)CCC(=O)NNC(=O)Nc1ccc(C)cc1Cl	803195774	OYZHKCOZXXBHIG-JTQLQIEISA-N	311.813	3.627	50	20	DHGD	
O=C(NN=C1CC[C@H](Cc2ccccc2)C1)c1ccc(O)cc1	814691736	OYFJVZKQDJACJV-OAHLLOKOSA-N	308.381	3.521	50	20	DHGD	
Cc1ccc2nc(C(=O)NNc3cccc(F)c3F)ccc2c1	815857020	LTCLJVSCUGXJEG-UHFFFAOYSA-N	313.307	3.578	50	20	DHGD	
CCCCCN(CCCCC)C(=O)/C(C#N)=C/c1cnn(C)c1	822555414	FJRRXWIPUNWGBQ-SFQUDFHCSA-N	316.449	3.536	50	20	DHGD	
Cc1cc(Br)c(C=NNC(=O)CC(C)(C)C)s1	834953781	MAIBRZDYTZLSLZ-UHFFFAOYSA-N	317.252	3.705	50	20	DHGD	
Cc1ccc(NNC(=O)NC[C@H]2CCCC2(F)F)c(Cl)c1	838673139	LRRAHVGLJVIPMX-SNVBAGLBSA-N	317.767	3.710	50	20	DHGD	
CCCC[C@@H](C(=O)NNc1ccc(C(=O)OC)c(F)c1)C(C)C	857282453	VARYTGZJHIDPAD-CYBMUJFWSA-N	324.396	3.518	50	20	DHGD	
CCCCn1nc(C)c(/C=C(\C#N)C(=O)OC(C)C)c1Cl	915853719	MRYGCWFZEAOLDH-XYOKQWHBSA-N	309.797	3.504	50	20	DHGD	
O=C(NN=Cc1ccco1)c1ccc(-c2ccc(F)cc2)s1	917029593	LLTAGKMRWSQFLG-UHFFFAOYSA-N	314.341	3.911	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(Cc2nncs2)C1	930709853	JZUUNPWNLYYPTR-GFCCVEGCSA-N	313.543	3.524	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1Cc2ccc(O)cc2C2(CC2)C1	1327634754	NYABUHGKGMXCAB-FBCYGCLPSA-N	320.367	3.943	50	20	DHGD	
CCCn1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2C)c(C)n1	1347734717	BVFHEKVYPMKXBE-MHWRWJLKSA-N	322.412	3.764	50	20	DHGD	
CC(C)CCOC1CCN(C(=O)C2CCC(Cl)CC2)CC1	1520800046	LBYCLOWYUPVNBZ-UHFFFAOYSA-N	315.885	3.838	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC)c(OCCCC)c1	57405795	AEQBRVRUTSKBLB-PTNGSMBKSA-N	315.369	3.510	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1ccc(Cl)cc1F	106924819	VCDVZNZUMVCAOU-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1ccc2oc(C(=O)NNc3ncccc3Cl)cc2c1	114884203	CRCNCPSZOPQJBO-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCC(=O)c2ccc(C)s2)c1	126157347	XZATUNCNROXWGL-UHFFFAOYSA-N	316.426	3.780	50	20	DHGD	
C[C@@H](CSCc1ccccc1)C(=O)NNc1ccc(F)cc1	157647643	HLIRXHRXVVJGBE-ZDUSSCGKSA-N	318.417	3.838	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(CC)[C@H](C)c1cc2ccccc2o1	159146060	ALLJHECLEXYCAN-DKXRRRNBSA-N	312.369	3.786	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2csc([N+](=O)[O-])c2)c1	208341205	YTUKRYJHQFVMTC-SDQBBNPISA-N	313.338	3.510	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2)cc1)c1ccncc1	254557675	NDCMMVXKSMSDEZ-UHFFFAOYSA-N	301.349	3.513	50	20	DHGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1ccc(Cl)cc1Cl	729623396	IAQCUORMOWBHKA-LDYMZIIASA-N	302.205	3.808	50	20	DHGD	
Cc1cccn2c(/C=C(\C#N)C(=O)c3ccccc3F)cnc12	741468438	SXWACEAVHLCEPF-UKTHLTGXSA-N	305.312	3.572	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C	742026413	OGHLNUTYGXOYKR-SLDDBITISA-N	318.804	3.597	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccccc2-n2cccn2)c(C)c1	743761989	GTLXXMUPALYXPD-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1cc(OC)ccc1Br	747690997	SMFKXFRNUOMJHD-BZPKPHBRSA-N	322.202	3.980	50	20	DHGD	
CCCCSCC(=O)NNc1ccc(Cl)cc1Cl	748010121	XTNNQMNKTLMVNF-UHFFFAOYSA-N	307.246	3.970	50	20	DHGD	
O=C(/C=C/Sc1ccccc1)NNc1ccc(F)c(F)c1F	748215640	NIFWFCQGFCUKSA-CMDGGOBGSA-N	324.327	3.853	50	20	DHGD	
COc1ccc(C2(C(=O)NNc3cc(C)ccc3C)CCC2)cc1	748396134	UNDJLPMKOFKXNR-UHFFFAOYSA-N	324.424	3.877	50	20	DHGD	
CCn1c(C)cc(C=NNC(=O)c2cc3ccccc3o2)c1C	749817778	NTBILMSLKXMPRR-UHFFFAOYSA-N	309.369	3.635	50	20	DHGD	
CCc1ncc(C=NNC(=O)c2ccc3ccccc3c2)s1	752164184	KFUJUQIYCXJRBH-UHFFFAOYSA-N	309.394	3.623	50	20	DHGD	
CCCCO[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757424394	BFILOKCJCZWPPM-GFCCVEGCSA-N	317.341	3.859	50	20	DHGD	
O=C(NNc1c(Cl)cc(Cl)cc1Cl)NC1CC=CC1	760213018	XIDHCJZACALCBY-UHFFFAOYSA-N	320.607	3.992	50	20	DHGD	
Cc1ccc(C(=O)NN=Cc2csc(Cl)c2Cl)o1	761810299	OHYAADPVYGMFKT-UHFFFAOYSA-N	303.170	3.720	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1cc(Cl)cc2cccnc12	763115674	BODCJTRKNZNYTF-UHFFFAOYSA-N	305.765	3.747	50	20	DHGD	
Cc1cccc(/C=C(\C#N)C(=O)c2cccc3c2OCCO3)c1C	771514740	VYSGVGXECYUOCT-LFIBNONCSA-N	319.360	3.865	50	20	DHGD	
C#C[C@H](C)NC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	772976790	RPENDXGKZQDGHR-HIXWQLQUSA-N	323.440	3.655	50	20	DHGD	
Cc1cccc(NNC(=O)[C@@H]2CCc3c(Cl)cccc32)c1	776222991	YQYPGHWCWGLFCP-OAHLLOKOSA-N	300.789	3.822	50	20	DHGD	
CC(C)CC[C@H]1CCC[C@@H]1NS(=O)(=O)CCCCCl	780767981	AZKDDNYRFXYBGN-KGLIPLIRSA-N	309.903	3.530	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1csc(-c2cccs2)n1	786677526	ZPSCLQDDKDZGRG-WDZFZDKYSA-N	316.407	3.775	50	20	DHGD	
Cc1csc(/C(C#N)=C/c2ccnn2-c2ccc(F)cc2)n1	794871861	FMHNPLVXWWVFOX-XYOKQWHBSA-N	310.357	3.841	50	20	DHGD	
C/C=C(/C=C\C(=O)NNC(=O)Nc1ccc(C)cc1Cl)CC	802048666	WKEOATWQKOSZKO-AYMHWXCPSA-N	321.808	3.714	50	20	DHGD	
Cc1cc([N+](=O)[O-])ccc1NNC(=O)C[C@H](C)c1ccccc1	805382833	ZGTDRUOTINNNKK-LBPRGKRZSA-N	313.357	3.540	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCN[C@](C)(CO)c1ccccc1	808725231	QPRDXIODBXILFU-QGZVFWFLSA-N	309.526	3.506	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)[C@H]1C[C@H]2C=C[C@H]1CC2	842528206	QZOZTZSEPPFUAN-RLFYNMQTSA-N	319.408	3.943	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)C(C)C)c(C)n1CC(C)C	875113928	MGZNXSCCTPGVPE-RQZCQDPDSA-N	301.434	3.535	50	20	DHGD	
CCc1onc(C)c1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	899338953	OUZNXQCPQSKEGO-ZROIWOOFSA-N	309.369	3.708	50	20	DHGD	
CC(=NNC(=O)c1ccc(OCCC(C)C)cc1)c1ccco1	916285294	DCEYUFLWHUNVMJ-UHFFFAOYSA-N	314.385	3.859	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2cc(C)n(C3CC3)c2C)cc1	916329738	VIADJQAQHVSGOH-UHFFFAOYSA-N	309.413	3.766	50	20	DHGD	
CC1CCN(CCC(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)CC1	1115814374	SAEJHOSDFOSYFK-IRXDYDNUSA-N	319.493	3.571	50	20	DHGD	
Cc1nc(NC(=O)CCl)sc1Cc1ccccc1Cl	1319675309	ZQFRLVVURAJIBB-UHFFFAOYSA-N	315.225	3.873	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1F)C(=O)Nc1ccccc1F	7156487	LSPSDYVULBNHPJ-YRNVUSSQSA-N	302.255	3.650	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)N=c1[nH]c2ccccc2[nH]1	27336808	DCZXARGGEAPMAA-NSHDSACASA-N	321.471	3.637	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccccc1OCc1ccccc1	111684183	MTKNGVSONGAXBN-AQTBWJFISA-N	319.360	3.902	50	20	DHGD	
C[C@H](CC1CCCC1)C(=O)NNc1ccc(F)c(F)c1F	114538825	NKTIIESQFUNGTI-SECBINFHSA-N	300.324	3.763	50	20	DHGD	
COc1ccc(SCC(=O)NNc2cc(C)cc(C)c2)cc1	127471367	HBDMAEOOAMZYKR-UHFFFAOYSA-N	316.426	3.547	50	20	DHGD	
Cc1ccc([C@H](C)NC[C@@H](C)CBr)cc1[N+](=O)[O-]	152800542	HIGBNXVFQFOAPL-ONGXEEELSA-N	315.211	3.585	50	20	DHGD	
Cc1ccc(C)c(SCC(=O)NNc2ccncc2Cl)c1	154512398	XHJOAEWTGZTSCV-UHFFFAOYSA-N	321.833	3.587	50	20	DHGD	
C[C@H](C(=O)NNc1cccc2cnccc12)c1ccccc1F	178487249	NPBFCMTZPYFZOF-LBPRGKRZSA-N	309.344	3.621	50	20	DHGD	
Cc1cc2cc(/C=C(\C#N)C(=O)NCc3ccco3)oc2cc1C	178706158	NYTWDHDWMMOHID-OQLLNIDSSA-N	320.348	3.866	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC1(c2ccc(Cl)cc2)CCCC1	178962899	JSQZORGTLZVNAP-OUKQBFOZSA-N	318.804	3.669	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	179606440	JZFZLBCEZBZEBZ-NTUHNPAUSA-N	300.720	3.972	50	20	DHGD	
CSCc1ccccc1NC(=O)NNc1ccccc1F	184806173	BXTVBCVIWUCLQF-UHFFFAOYSA-N	305.378	3.837	50	20	DHGD	
Cc1cc([C@H](C)NC(=O)NNc2c(C)cccc2F)c(C)o1	185282749	QTUMZIIDPCTHKY-NSHDSACASA-N	305.353	3.731	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)N(C)c2ccccc2)ccc1C	194526141	FHCVLUTWSHWMJU-LFIBNONCSA-N	306.365	3.574	50	20	DHGD	
CC[C@H](C)Oc1cccc(NC(=O)NNc2cccc(F)n2)c1	286984992	KMSLIRLHYXJRBG-NSHDSACASA-N	318.352	3.547	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)/C=C/c2ccc3[nH]ccc3c2)c1	492322342	RYYKSQNZVNAGDK-SOFGYWHQSA-N	305.381	3.941	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C/c1cc2cc(C)c(C)cc2o1	588555502	HLCHIKMWFXSRQD-OQLLNIDSSA-N	303.383	3.739	50	20	DHGD	
CC(=NNC(=O)c1cccc(OC(F)F)c1)c1cccs1	728433421	HNZVCKUIICEVJH-UHFFFAOYSA-N	310.325	3.504	50	20	DHGD	
CCS[C@@H](C(=O)NNc1cccc(C(F)(F)F)c1)C(C)C	728716431	BXRJPESCJFOKRG-GFCCVEGCSA-N	320.380	3.926	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1cc(C)ccc1O)c1ccccc1	731931553	KJUFJKURSHNRHJ-INIZCTEOSA-N	310.397	3.735	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)Cc1ccsc1)c1ccccc1	731931895	SUDKPNCUTDWISJ-INIZCTEOSA-N	300.427	3.977	50	20	DHGD	
CCC(=NNC(=O)c1cnn(-c2ccccc2)c1)C1CCCCC1	733076545	SNSBSOIGXRDHGP-UHFFFAOYSA-N	324.428	3.948	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2ncccc2Cl)cc1	738540924	PHCMIWPZIMPUBY-GFCCVEGCSA-N	317.820	3.934	50	20	DHGD	
CCC(=O)NN=C(C)c1ccc(SCC(F)(F)F)cc1	741761068	WSYKDTFNIKUPKM-UHFFFAOYSA-N	304.337	3.591	50	20	DHGD	
CC(C)(C)c1ccc(OCC(=O)NN=CC2CCCC2)cc1	741838276	RLZOYRSABQFCRU-UHFFFAOYSA-N	302.418	3.655	50	20	DHGD	
Cc1ccncc1C(=O)NN=C(c1ccccc1)c1ccccc1	741879965	OZKDLVCOYNHHBQ-UHFFFAOYSA-N	315.376	3.572	50	20	DHGD	
CC[C@H](C)[C@@](C)(O)CNC(=O)CCCC[C@@H]1CCSS1	743480470	GBCULMBVHQWOHX-GUTXKFCHSA-N	319.536	3.614	50	20	DHGD	
Cc1ccc(-c2ccc(C=NNC(=O)NC3CCCC3)o2)cc1	743531095	FBWPTTMWAWDRCX-UHFFFAOYSA-N	311.385	3.831	50	20	DHGD	
CCCN(C)C(=O)/C(C#N)=C/c1cc(C)n(CCC(C)C)c1C	745782044	IZLDHEAITYXLMM-LDADJPATSA-N	315.461	3.926	50	20	DHGD	
CC[C@H](C)C(=O)NN=C[C@H](C)c1cccc(Br)c1	747633861	XXCQUYIZOZUJMQ-QWRGUYRKSA-N	311.223	3.701	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@@H](C)C1)C(=O)NNc1ccc(C)cc1	749203697	XSDREJACCOTZNB-PVAVHDDUSA-N	304.434	3.812	50	20	DHGD	
N#C/C(=C/c1ccc(O)c(F)c1)c1nc(-c2ccccc2)no1	755408414	ZSKLTZRYASRJKE-JYRVWZFOSA-N	307.284	3.645	50	20	DHGD	
O=C(COCc1ccccc1)NN=Cc1cc2ccccc2s1	758378043	IVHDMZDWPYCGTG-UHFFFAOYSA-N	324.405	3.568	50	20	DHGD	
CCC(CC)[C@@H](C)C(=O)NNc1cccc(Br)c1	761996947	UXEYNSVRPLCRHY-SNVBAGLBSA-N	313.239	3.965	50	20	DHGD	
Cc1nc2ccc(NC(=O)[C@H](Br)C(C)(C)C)cc2[nH]1	767008456	TVRIGYUUQJYCFH-LBPRGKRZSA-N	324.222	3.619	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1nc2ccsc2s1	770034940	FCNOESDLPVIRLJ-UHFFFAOYSA-N	308.363	3.646	50	20	DHGD	
COc1cnc(NC(=O)CCCC[C@H]2CCSS2)s1	774276872	VACMIKPGHIBPIV-VIFPVBQESA-N	318.489	3.804	50	20	DHGD	
O=C(NNc1c(F)cccc1F)[C@H]1CCc2c(Cl)cccc21	775781251	GBODLFJCIYWJTH-NSHDSACASA-N	322.742	3.791	50	20	DHGD	
C[C@@H](CSc1ccccc1)C(=O)NNc1cc(Cl)ccn1	778451227	GRPAZZNQAJZZMS-NSHDSACASA-N	321.833	3.607	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@@H](C)C[C@H]2C)o1	783838362	YWXVTXLSTUUYQH-ZIAGYGMSSA-N	319.449	3.663	50	20	DHGD	
CCCC[C@H](CCC)NC(=O)/C(C#N)=C/c1ccc(O)cc1	787410391	WUGNKRYEZNZSFD-STTHAQSSSA-N	300.402	3.774	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@H]1c1ccc(F)cc1	790879961	PWXOGVYXHSEAGV-ZDUSSCGKSA-N	314.451	3.683	50	20	DHGD	
CCSc1cc(Cl)ccc1C(=O)NNc1ncccc1C	791219902	ZXPBPRPDARVEAN-UHFFFAOYSA-N	321.833	3.912	50	20	DHGD	
C=C(CBr)CN1CCC(c2ccc(OC)cc2)CC1	791468151	PXJGGCJWSLNLKO-UHFFFAOYSA-N	324.262	3.826	50	20	DHGD	
CCCN(N=C1[C@H]2CCCO[C@@H]2C1(C)C)C(=O)OC(C)(C)C	794997561	YGXPMMGMIKGQTA-OCCSQVGLSA-N	310.438	3.825	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)Cc1c(Cl)cccc1Cl	808247597	HIMNBVLNBQQOJD-UHFFFAOYSA-N	315.027	3.798	50	20	DHGD	
O=C(NN=Cc1ccc2[nH]ccc2c1)c1cc2ccccc2o1	811644470	XFNVDRYGFXDGEW-UHFFFAOYSA-N	303.321	3.678	50	20	DHGD	
N#C/C(=C\c1ccc(C(=O)O)cc1)c1cc(C(F)(F)F)ccn1	812247035	YLHJFUQTUKBXBN-KPKJPENVSA-N	318.254	3.863	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)C1(C(F)F)CCCC1	813494433	MDVBVEBIRDXOLX-UHFFFAOYSA-N	308.372	3.834	50	20	DHGD	
COc1ccc(Cl)c(NC(=O)NN=C/C=C/c2ccco2)c1	814991881	BUHTZTKKLXKUCN-LNMKEZQDSA-N	319.748	3.762	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1cccc(Cl)n1	817007875	UDIUPDNSZMWAFH-UHFFFAOYSA-N	319.792	3.527	50	20	DHGD	
CCCCCc1ccc(C(=O)CCC(=O)NN(C)C2CC2)cc1	819640827	FURYBWFKWWYESC-UHFFFAOYSA-N	316.445	3.508	50	20	DHGD	
N#C/C(=C/c1ccc2oncc2c1)C(=O)Nc1ccc(F)cc1	821026893	AHBQMRUIJHEWKX-GHXNOFRVSA-N	307.284	3.513	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1cc(C(F)(F)F)ccn1	832967730	BGCVKWMNMKFBNF-CMPLNLGQSA-N	315.339	3.760	50	20	DHGD	
CC(C)(C)OC(=O)[C@@]1(C)CCN(/C(=C\C#N)c2ccccc2)C1	839105922	WRXAWIYSCCZUGR-LZOLKVDOSA-N	312.413	3.605	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNC(=O)Nc2ccc(Cl)cc2)CC1	843880894	VJRBVDVSMYJJEX-LBPRGKRZSA-N	321.808	3.629	50	20	DHGD	
C[C@H](Cc1ccccc1F)NC[C@]1(C)C[C@H]1Br	857063712	POODMRPCMBVFPM-HONMWMINSA-N	300.215	3.520	50	20	DHGD	
Cc1cc([C@@H]2CCCN2C[C@@H](CBr)C2CC2)no1	859060366	QCWSNKXDCULJIA-OCCSQVGLSA-N	313.239	3.541	50	20	DHGD	
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(CCC(C)C)c1C	876789631	DXGXQIGYVDTGDH-PDGQHHTCSA-N	315.461	3.926	50	20	DHGD	
CCCCCC[C@@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	915887742	JQCQCKMWKWGDBL-GFCCVEGCSA-N	308.382	3.580	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CC[C@@H]3CCCC[C@@H]3C2)c1	916281183	SCJYADOWMAVBOI-LSDHHAIUSA-N	313.445	3.829	50	20	DHGD	
CCOc1ccc(C(=O)NN=C/C=C\c2ccccc2)cc1OC	916347747	JZRXDPNBQKOYTO-URQPXYJTSA-N	324.380	3.523	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)c3ccccc3)cs2)cc1	918709123	WLEROVHKJWRSHG-UHFFFAOYSA-N	321.405	3.882	50	20	DHGD	
CCS[C@H]1CCCCN(C(=O)C2CCC(Cl)CC2)C1	1123658568	PAAZWGKPFHWEDC-RUXDESIVSA-N	303.899	3.918	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC[C@@H]1[C@H](O)c1ccccc1	1520374820	VPWBPLCNKJRNRN-BHUNQDJPSA-N	321.848	3.509	50	20	DHGD	
CCCCC[C@](C)(CC)C(=O)NNc1cccc(C(=O)O)c1	1595667085	ZYPOKLORRVLOHX-KRWDZBQOSA-N	306.406	3.825	50	20	DHGD	
N#C/C(=C/c1cc(C(=O)O)co1)C(=O)c1ccc(F)c(Cl)c1	1601045804	PSCPKVJOLCSXMC-OQFOIZHKSA-N	319.675	3.560	50	20	DHGD	
Cc1cc(C(=O)NNc2ncc(Cl)cc2Cl)ccc1F	132715002	HARMCIBPZHMAQU-UHFFFAOYSA-N	314.147	3.593	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)Nc2ccc(O)cc2)c1C	177767634	WGWQTZZBNYDYCQ-LFIBNONCSA-N	323.396	3.766	50	20	DHGD	
N#C/C(=C\c1ccc(O)c(Cl)c1)C(=O)c1cccc(F)c1	194529451	OYUFJAUSRXLWMJ-WUXMJOGZSA-N	301.704	3.975	50	20	DHGD	
Cc1cc2cc(/C=C(/C#N)C(=O)NCc3ccco3)oc2cc1C	255061577	NYTWDHDWMMOHID-DHDCSXOGSA-N	320.348	3.866	50	20	DHGD	
CC[C@H](C)c1ccc(NC(=O)/C(C#N)=C\c2ccnn2CC)cc1	255081545	ZNSJDAZGPSQQKU-QXPQOBGOSA-N	322.412	3.962	50	20	DHGD	
ClCCCOc1ccc(CN[C@H]2CCCc3c[nH]nc32)cc1	367927314	PQZBIHMASYWRLS-INIZCTEOSA-N	319.836	3.585	50	20	DHGD	
C[C@@H](CBr)CN(C)CCCOCc1ccccc1	383894991	KRBWHDFYCMWUFH-AWEZNQCLSA-N	314.267	3.556	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)Nc2cccc(Cl)c2C)cn1	490881221	XLZKAUZTAMUKJQ-RIYZIHGNSA-N	311.772	3.898	50	20	DHGD	
CCS(=O)(=O)/C(C#N)=C\c1cc(Cl)cc(C(F)(F)F)c1	588554970	GCTOIZMDBUAZTC-WZUFQYTHSA-N	323.723	3.658	50	20	DHGD	
N#C/C(=C/c1ccn(-c2ccccc2)n1)C(=O)c1cccc(F)c1	588598245	MIEGCDURWYOTQQ-QINSGFPZSA-N	317.323	3.801	50	20	DHGD	
CC(=NNC(=O)CCCc1ccccc1)c1ccc(N(C)C)cc1	727689553	UDCPSLSKVYTPKW-UHFFFAOYSA-N	323.440	3.616	50	20	DHGD	
CCOc1cccc(/C=C(/C#N)c2nc3c(C)ccnc3[nH]2)c1	741471496	AQYNRNICPPRQJO-ZROIWOOFSA-N	304.353	3.729	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nc3c(C)ccnc3[nH]2)cc1	741474330	XINBOOLBJOYUFW-GXDHUFHOSA-N	304.353	3.729	50	20	DHGD	
Cc1ccc([C@H]2CCCC2=NNC(=O)c2cccc(C#N)c2)cc1	741841228	AWPQWYUKHCEEKZ-GOSISDBHSA-N	317.392	3.920	50	20	DHGD	
Cc1ccc(-c2noc(/C(C#N)=C\c3scnc3C)n2)cc1	742431747	NSEDNNINYVPKFW-QPEQYQDCSA-N	308.366	3.874	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNc1ccc(Br)cc1F	748187710	NKQYLNBNNSVWLO-SECBINFHSA-N	317.202	3.858	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)C[C@H]1C=CCC1	748751331	UGDKDSNQBMMCSK-NSHDSACASA-N	309.207	3.557	50	20	DHGD	
C[C@@H](CC(=O)NNC(=O)c1cccc(Cl)c1)C1CCCCC1	750715825	DVVIWWVAFGQBFF-LBPRGKRZSA-N	322.836	3.708	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)CC(C)(C)C	753177452	NIMARDJFFYLAMJ-UHFFFAOYSA-N	313.239	3.891	50	20	DHGD	
C[C@H](C=NNC(=O)NCCc1cccs1)c1ccc(F)cc1	756885715	WVBKLYVQWBYOSO-GFCCVEGCSA-N	319.405	3.518	50	20	DHGD	
Cc1cc(Br)ccc1C=NNC(=O)CC1CCCC1	759197269	RVCPHSYDKQJJQH-UHFFFAOYSA-N	323.234	3.788	50	20	DHGD	
N#C/C(=C/c1ccc(N2CCOCC2)cc1)C(=O)C1CCCCC1	767715717	XOAWYEWULGYEMZ-JXAWBTAJSA-N	324.424	3.580	50	20	DHGD	
CC(C)C[C@H]1CCCN1C(=O)[C@H](Br)C(C)(C)C	767931753	UOBOMUJJCZNPSQ-NEPJUHHUSA-N	304.272	3.833	50	20	DHGD	
CC(C)Cc1nc(C(=O)OC[C@H](C)CBr)cs1	770358713	AMXWRRVZYYJBBW-SECBINFHSA-N	320.252	3.529	50	20	DHGD	
N#C/C(=C\c1cnn(Cc2ccccc2)c1)C(=O)C1CCCC1	781556348	XEAXEHKWUQMJAF-VCHYOVAHSA-N	305.381	3.598	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](C)c2ccccc2)ccc1Cl	790172601	YEAHFCJGEPBRPD-NSHDSACASA-N	304.777	3.595	50	20	DHGD	
C[C@]1(C=NNC(=O)Cc2cccc3ccccc23)CCCS1	792963103	VHCZEOJHPCPZGR-GOSISDBHSA-N	312.438	3.770	50	20	DHGD	
O=C(NNc1cc(F)c(F)cc1F)c1sccc1Cl	802830833	DTFOEWXUMWWHDY-UHFFFAOYSA-N	306.696	3.576	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2nc(C)cs2)c(C)c1OC	806554025	HSQUGLBAMCHQCG-QPEQYQDCSA-N	300.383	3.841	50	20	DHGD	
CSc1cccc(F)c1CNC(=O)NNc1ccc(F)cc1	807425062	KJAWRKCUVRCIAI-UHFFFAOYSA-N	323.368	3.513	50	20	DHGD	
N#C/C(=C\c1c(F)cccc1Cl)c1ccc([N+](=O)[O-])cn1	812245231	OITNFIKLKQKQMW-RMKNXTFCSA-N	303.680	3.846	50	20	DHGD	
C=C[C@H](CC(=O)NNc1ccc(OCC)cc1)c1ccccc1	817895813	HOKUSOPTJCIQHD-OAHLLOKOSA-N	310.397	3.888	50	20	DHGD	
O=C(NCC(Cl)Cl)c1ccc(Cl)c(C(F)(F)F)c1	837647695	CUFNKTZVIJFPJC-UHFFFAOYSA-N	320.525	3.892	50	20	DHGD	
N#CCCCCNC(=O)NNc1ccccc1Cc1ccccc1	844957177	HQYUEGJLNUVZHE-UHFFFAOYSA-N	322.412	3.597	50	20	DHGD	
Cc1oc(-c2cccs2)nc1C(=O)N(C)CC(Cl)Cl	848080793	DGCPDAPVRQTAKE-UHFFFAOYSA-N	319.213	3.587	50	20	DHGD	
COC(=O)c1cn(CCO[Si](C)(C)C(C)(C)C)c(C2CC2)n1	853675936	GTPNOZYYZXNJRA-UHFFFAOYSA-N	324.497	3.569	50	20	DHGD	
C[C@@H](CCC(=O)NNc1ccc(Cl)cn1)c1ccccc1	856093245	RFZYBGXCDFEFQG-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(F)c(Cl)c1	863080620	HIZFVGUXZUIVDV-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
N#C/C(=C/c1ccccc1OCC(F)F)C(=O)C1CCCC1	887282778	AEUXXXRIPOCXPR-ZROIWOOFSA-N	305.324	3.997	50	20	DHGD	
Cc1ccc(NNC(=O)CSc2ccc(C)cc2C)cc1	912596198	DFFKLYMHUKMXPP-UHFFFAOYSA-N	300.427	3.847	50	20	DHGD	
CC(C)=CCC/C(C)=C\C=NNC(=O)c1ccc2c(c1)OCO2	916289287	LTOCXIWBGPWDCN-LWIAJIJASA-N	314.385	3.824	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@@H](C)c2ccccc2)c1	916298116	VWHXEJXYKSVZKI-MRXNPFEDSA-N	310.397	3.588	50	20	DHGD	
CCCC(=NNC(=O)COc1ccc(F)cc1)c1ccccc1	916331001	BOSGCCBYNVYJNC-UHFFFAOYSA-N	314.360	3.525	50	20	DHGD	
CCCCCCCC(=O)NNC(=O)c1ccc2ccccc2c1	918110222	SDSVTLZIXYQDEF-UHFFFAOYSA-N	312.413	3.961	50	20	DHGD	
CCNc1nc(C)c(C(=O)NNc2ccc(Cl)c(C)c2)s1	928338157	BXHHRUORLAPMLT-UHFFFAOYSA-N	324.837	3.602	50	20	DHGD	
CCn1nc(C)c(NC(=O)NNc2cc(Cl)ccc2C)c1C	930671284	RJGLSYWCKHLYEQ-UHFFFAOYSA-N	321.812	3.630	50	20	DHGD	
CCCCCCCC(C)=NNC(=O)c1n[nH]c2c1CCCC2	1115824568	ZLDITLVQADEBBI-UHFFFAOYSA-N	304.438	3.755	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)CCc2cccc(F)c2)cc1	1115892733	KFLOPUJOSOWESY-UHFFFAOYSA-N	314.360	3.573	50	20	DHGD	
CC(C)(O)CN(Cc1ccccc1)C(=O)C1CCC(Cl)CC1	1123680181	HJXKPESDAQBMJN-UHFFFAOYSA-N	323.864	3.584	50	20	DHGD	
O=C(/C=C/c1nccs1)NNc1cc(Cl)ccc1Cl	1123736034	OTCIJDNMANAHLL-ONEGZZNKSA-N	314.197	3.606	50	20	DHGD	
C[C@H](C(=O)NNc1ccccc1Cl)c1ccc(F)c(F)c1	1324282977	XMRRYIGALSJZER-VIFPVBQESA-N	310.731	3.865	50	20	DHGD	
C[C@@H](OC1CCCCC1)C(=O)NNc1cccc(F)c1Cl	1329274266	MFXKXSGOCSDWJP-SNVBAGLBSA-N	314.788	3.660	50	20	DHGD	
CCOc1ccc(NC(=O)NNc2ccc(F)cc2)cc1F	92431378	PYZMVMXBLDHJCC-UHFFFAOYSA-N	307.300	3.512	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)[C@@H]1CSc2ccccc21	118495758	NLTKGWQHXMSQIP-CQSZACIVSA-N	321.405	3.567	50	20	DHGD	
Cc1ccoc1C(=O)NNc1cc(C(F)(F)F)ccc1F	128715083	KHJGITZWFBBGMU-UHFFFAOYSA-N	302.227	3.503	50	20	DHGD	
COc1ccc(CCCN(C)C[C@H](C)CBr)cc1	133656249	RGHMUYPEVTXWPN-CYBMUJFWSA-N	314.267	3.591	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)C2(c3ccc(Cl)cc3)CC2)c1	150780317	UOKSIEOQZDHVIO-UHFFFAOYSA-N	318.779	3.962	50	20	DHGD	
Cc1ccc(C)c(C(=O)NNc2ccccc2Br)c1	153526794	RIAIHQKKNQNICM-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cc2c(s1)CCCCC2	154735041	CESRGRLQSWLSKU-UHFFFAOYSA-N	321.833	3.822	50	20	DHGD	
CC(C)(C(=O)NNc1cccc2cnccc12)c1cccc(F)c1	178514778	RKPLRSZRJAWOET-UHFFFAOYSA-N	323.371	3.795	50	20	DHGD	
CSc1cc(C(=O)NNc2ccc(C(C)(C)C)cc2)ccn1	181144582	SLRCVINSNWPTBF-UHFFFAOYSA-N	315.442	3.858	50	20	DHGD	
Cc1cc(C)c(/C=C(/C#N)C(=O)NCCc2ccccc2)cc1C	211497234	CXLBMOUJWMSYAO-MOSHPQCFSA-N	318.420	3.878	50	20	DHGD	
BrCc1ccc2cncc(Br)c2c1	212189241	DZXVXQFMSACVAA-UHFFFAOYSA-N	300.981	3.892	50	20	DHGD	
CCN(C[C@H](C)CBr)[C@H](C)c1ccc(C#N)cc1	248725770	PFTAUUOWNKHVRW-CHWSQXEVSA-N	309.251	3.972	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccccc2)o1)C(=O)Nc1nccs1	255663431	SRIVJDDWEQBURK-RAXLEYEMSA-N	321.361	3.949	50	20	DHGD	
N#C/C(=C\c1nc(-c2ccccc2)c[nH]1)C(=O)Nc1ccccc1	255730642	OKAVCFWYANNLOU-RVDMUPIBSA-N	314.348	3.622	50	20	DHGD	
N#C/C(=C\c1ccc(F)nc1)C(=O)c1ccccc1OC(F)F	588524068	SBTUKJQDKJQMQO-YRNVUSSQSA-N	318.254	3.612	50	20	DHGD	
Cc1cc(NS(=O)(=O)CCCCCl)cc(C)c1Cl	690239636	FGCPUNNXBIECNZ-UHFFFAOYSA-N	310.246	3.718	50	20	DHGD	
CC(=NNC(=O)c1ccc2ccccc2c1)c1ccc(O)cc1F	729932504	CQZHQBCBJCHKAH-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNC(=O)c1cccc2ccccc12	741573947	OLTRZUBNQSJBJK-CQSZACIVSA-N	312.413	3.817	50	20	DHGD	
CC[C@@H]1CO[C@@H](C)CN1C(=O)CCCC[C@H]1CCSS1	742713975	BQYXHFGFFAXREO-MJBXVCDLSA-N	317.520	3.726	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2cccnc2NC(C)C)c(C)c1	743762204	YYKJDFBAXYWNHM-UHFFFAOYSA-N	312.417	3.584	50	20	DHGD	
COc1ccc(C)cc1/C=C(\C#N)C(=O)N[C@@H]1CCCC[C@H]1C	747015069	QHHATQWHVFQMRF-HCIRMPLMSA-N	312.413	3.606	50	20	DHGD	
Cc1ccccc1NCCC(=O)NNc1ccc(Cl)c(F)c1	748890112	DJHARMSHRZVLEA-UHFFFAOYSA-N	321.783	3.733	50	20	DHGD	
COCCCC(C)=NNC(=O)c1c(Cl)cccc1Cl	759195833	TUJOONJFGNQDLF-UHFFFAOYSA-N	303.189	3.526	50	20	DHGD	
CCc1noc(C)c1C(=O)NNc1c(Cl)cccc1Cl	763611245	WDPIQNNVMLBYJJ-UHFFFAOYSA-N	314.172	3.609	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)O[C@H](C)C2CC2)c1C	764383516	MPZWLPCWLFOZCA-AYCSXLNKSA-N	300.402	3.764	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N1CC[C@H]1c1ccccc1	767032531	NTEIMRCQYZSDPD-QWHCGFSZSA-N	310.235	3.770	50	20	DHGD	
CSc1ccc(C(=O)OC[C@@H](C)CBr)cc1	770323659	NWGZBEXQBUHJGK-VIFPVBQESA-N	303.221	3.596	50	20	DHGD	
C[C@H](CBr)COC(=O)c1csc(C(C)(C)C)n1	770358003	ACHXHQDEVGFIJV-MRVPVSSYSA-N	320.252	3.628	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1ccc(C(F)F)cc1	770358875	HWKOPRSQJHEYRG-QMMMGPOBSA-N	307.134	3.812	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)c1csc2c1CCCC2	771707618	QVRLGFQVLUXGKK-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
C[C@@H](Oc1cccc(Cl)c1)C(=O)NN=C[C@@H]1CC=CCC1	773092700	BIRFIKVRTQAODK-CHWSQXEVSA-N	306.793	3.566	50	20	DHGD	
CC1=CCC[C@@H](C)[C@H]1C=NNC(=O)NCCc1cccs1	773201045	OLOJNQABZPIPKA-HIFRSBDPSA-N	305.447	3.568	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2cc(F)c(F)c(F)c2)c1	775395001	VDLISQHBKHGEPX-UHFFFAOYSA-N	309.291	3.869	50	20	DHGD	
CCc1cccc(C)c1NC(=S)NNC(=O)[C@H](C)[C@@H](C)CC	779869585	JZMYKMSFKJPOOR-WCQYABFASA-N	321.490	3.557	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)cn1	780153240	MMFVWCCSKIWJSQ-UXBLZVDNSA-N	304.758	3.595	50	20	DHGD	
Cc1nn(C)cc1/C=C(\C#N)C(=O)c1cccc(C(F)(F)F)c1	780372744	AKZYPZPNDOHTOQ-WUXMJOGZSA-N	319.286	3.537	50	20	DHGD	
Cn1cc(/C=C(\C#N)C(=O)C2CCCC2)c(-c2cccs2)n1	781555916	RVLRTSRXGWKXPR-UKTHLTGXSA-N	311.410	3.815	50	20	DHGD	
N#Cc1ccc(CC(=O)NNc2cc(Cl)cc(Cl)c2)cc1	791735052	UXABARZGSKKGJP-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
N#C/C(=C/C=C/c1ccc(F)c(F)c1)C(=O)NCc1ccccc1	794689819	FEXOFFMVAWMFFF-QSJINSDNSA-N	324.330	3.744	50	20	DHGD	
CCC(=NNC(=O)c1ccc(Cl)cc1OC)c1cccs1	794780562	AMJPZNPPKZKACJ-UHFFFAOYSA-N	322.817	3.954	50	20	DHGD	
Cc1cn2c(/C=C(\C#N)C(=O)c3ccccc3)c(C)nc2s1	796984531	MRIKFLOXWSLKKA-RIYZIHGNSA-N	307.378	3.803	50	20	DHGD	
COc1ccc(NCC(=O)NN=CCC2CCCCCC2)cc1	799104156	MMKDVHJZVGETMN-UHFFFAOYSA-N	317.433	3.570	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ncccc1Oc1ccccc1	799705081	CNBLOPVYDLQLFE-UHFFFAOYSA-N	323.327	3.770	50	20	DHGD	
CCCC(O)(CCC)CC(=O)NNc1c(C)cccc1CC	799758547	PYCJHYCUQCYGOH-UHFFFAOYSA-N	306.450	3.722	50	20	DHGD	
CCc1oc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1C(=O)OC	800790959	XLMVFYPAMVXZMY-DHZHZOJOSA-N	321.336	3.569	50	20	DHGD	
CSSCCNc1nc(-c2ccccn2)nc(C)c1C	804699229	HHIVVAHCGBQXOE-UHFFFAOYSA-N	306.460	3.579	50	20	DHGD	
Cn1cccc1C(=O)NN=Cc1c[nH]c2ccc(C(C)(C)C)cc12	811637152	UPUVRWKPDLIPLI-UHFFFAOYSA-N	322.412	3.568	50	20	DHGD	
N#Cc1ccc(NNC(=O)Nc2cccc(C3CCC3)c2)cc1	812993375	NSDHXNDKMLUBQK-UHFFFAOYSA-N	306.369	3.974	50	20	DHGD	
O=C(NCC1CC(F)(F)C1)NNc1cc(Cl)ccc1Cl	813771718	ZRBUWRVFCPSQGI-UHFFFAOYSA-N	324.158	3.665	50	20	DHGD	
Cc1nc(C(C)(C)C)sc1C(=O)N(C)CC(Cl)Cl	816628759	JGSRSNARLZVXTB-UHFFFAOYSA-N	309.262	3.625	50	20	DHGD	
CCOc1ccc(NNC(=O)Cc2c(C)cc(C)cc2C)cc1	817885505	BCWATIPKHMRIAK-UHFFFAOYSA-N	312.413	3.696	50	20	DHGD	
C[C@H]1CCCC[C@@H]1C(=O)NNc1ncc(Cl)cc1Cl	819502482	UXMUQQGQDFKANM-WPRPVWTQSA-N	302.205	3.658	50	20	DHGD	
CC[C@](C)(CNC(=O)CCCC[C@H]1CCSS1)OC	833800054	QNLOUGOYPAAKAH-GXTWGEPZSA-N	305.509	3.632	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)OC2CCCCC2)cc1F	834751886	SBASHCWUOIMALR-LCYFTJDESA-N	303.333	3.617	50	20	DHGD	
COc1ccc(C(=O)NN=C(C)[C@@H]2CCCC[C@@H]2C)cc1OC	834921187	SPRGWUQOEIAQMQ-SWLSCSKDSA-N	318.417	3.636	50	20	DHGD	
C[C@@H](CC(C)(C)O)OC(=O)CCCC[C@H]1CCSS1	835428795	LZVXLNDEEFHCKC-RYUDHWBXSA-N	306.493	3.793	50	20	DHGD	
CC[C@@H](CNC(=O)NNc1ccccc1Cl)CC(F)(F)F	840432041	LFVFGTSDUXCXJH-SECBINFHSA-N	323.746	3.945	50	20	DHGD	
CC(C)(C)CC(=O)NNc1ccc(-c2ccc(Cl)s2)nn1	848387786	TYVAYXKQKXFHKG-UHFFFAOYSA-N	324.837	3.738	50	20	DHGD	
Cc1ccc2cc(CNC[C@@]3(C)C[C@H]3Br)ccc2n1	856810320	XDQIFOSYYLIOOA-HZPDHXFCSA-N	319.246	3.806	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@@H]1Br)c1ccc(C#N)c(F)c1	857083723	ZFAVLQWDSSESDU-HERUPUMHSA-N	311.198	3.521	50	20	DHGD	
CC[C@@H](CC(F)(F)F)C(=O)NNc1ccc(F)cc1Cl	885138791	KNTIUTWBOILGDP-ZETCQYMHSA-N	312.694	3.901	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(C(=O)c2cccnc2)C1	891543869	NNVHZZMGFUTNSP-OAHLLOKOSA-N	320.509	3.708	50	20	DHGD	
Cc1c[nH]cc1C(=O)N1CC[C@H](O[Si](C)(C)C(C)(C)C)C1	912580584	SRFKEPHHORDREX-ZDUSSCGKSA-N	308.498	3.559	50	20	DHGD	
Cc1cc(C)c(NNC(=O)N[C@H](C)Cc2ccsc2)c(C)c1	919658625	VUAUQJYQDRSZOQ-CQSZACIVSA-N	317.458	3.931	50	20	DHGD	
Cc1cc([C@@H](C)NC(=O)NNc2ccc(C)c(F)c2)c(C)o1	1327700122	QMFXAXVWRCBHDB-LLVKDONJSA-N	305.353	3.731	50	20	DHGD	
CCc1oc2ccccc2c1C(=O)NNc1cccc(Cl)n1	1327965741	QIPYMRPSPZIUEC-UHFFFAOYSA-N	315.760	3.801	50	20	DHGD	
C[C@H](NNC(=O)c1ccc(-c2cccs2)s1)C(F)(F)F	1329157710	PDGSOXGINDSXMX-ZETCQYMHSA-N	320.361	3.662	50	20	DHGD	
CC(=O)Nc1cccc([C@@H](C)NC(=O)C2CCC(Cl)CC2)c1	1346151959	DFVUJUFGBALFBI-NUYPLMSZSA-N	322.836	3.620	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)c1)c1cccc(F)c1F	103276676	GLQXVGSECQFQRM-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
N#C/C(=C\c1cc2ccccc2s1)C(=O)NCc1ccco1	123345488	OQAAFYQTNWHQMA-UKTHLTGXSA-N	308.362	3.718	50	20	DHGD	
O=C(NNc1ccncc1Cl)c1cccc(C(F)(F)F)c1	154447610	LJAHKEYDLMPRNQ-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2cccc(Cl)c2)cc1	158748164	VMDYHCVOGGYHFK-HOTGVXAUSA-N	300.789	3.895	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccncc1)c1cccc(C(F)(F)F)c1	180513182	SDDBKEZDHBGEEZ-NSHDSACASA-N	323.318	3.737	50	20	DHGD	
COc1ccc([C@H](C)CC(=O)NNc2c(C)cccc2F)cc1	184364074	TYAHDAGGOZQTFA-CYBMUJFWSA-N	316.376	3.780	50	20	DHGD	
CN(C)S(=O)(=O)c1cccc(S(F)(F)(F)(F)F)c1	186178446	UFOJKIYHSMVNLB-UHFFFAOYSA-N	311.297	3.594	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1ccc(OC(F)(F)F)cc1	188971427	QWHZRMCDMCKJTK-ZDUSSCGKSA-N	302.296	3.631	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C\c1c(F)cccc1F	212135890	LBKNNOIHNCJBPO-LUAWRHEFSA-N	314.291	3.519	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)cnc1Cl	490726171	OERBDHPEOOMYDX-GHXNOFRVSA-N	315.735	3.728	50	20	DHGD	
CC(Cc1cccs1)=NNC(=O)C(C)(C)c1ccccc1	731152550	KZSBCVCAHVMURT-UHFFFAOYSA-N	300.427	3.761	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)N(C)c2ccccc2)cc1C	732715920	CPBWRDLVLPJDJO-FOWTUZBSSA-N	306.365	3.574	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3cccc(OCC#N)c3)[nH]c12	735618568	CBZUBAGPOUDREU-GDNBJRDFSA-N	314.348	3.838	50	20	DHGD	
CC(=NNC(=O)Nc1ccc(C)cc1Cl)c1ccccc1O	741765659	JEQWHBXXPPAKGK-UHFFFAOYSA-N	317.776	3.900	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)c1nnc(-c2ccccc2)o1	748249136	SYUXUQRKDCYMRY-GFCCVEGCSA-N	314.389	3.669	50	20	DHGD	
CC(=NNC(=O)CC(C)C)[C@@H](C)c1nc2ccccc2s1	748779964	FYPWKBFJMCVBFK-LLVKDONJSA-N	303.431	3.938	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)Cc2cccnc2)C[C@H](c2ccccc2)C1	749855114	COJYXOSXQVGLDJ-MAUKXSAKSA-N	321.424	3.700	50	20	DHGD	
O=C(C[C@H]1CCCCO1)NN(Cc1ccccc1)c1ccccc1	755064382	PFYPLIRFRHATLI-LJQANCHMSA-N	324.424	3.684	50	20	DHGD	
CC1(C)CCCCC1=NNC(=O)c1cc(-c2ccccc2)[nH]n1	757561439	QRSFWUYSUHEWBU-UHFFFAOYSA-N	310.401	3.763	50	20	DHGD	
N#C/C(=C/c1cc(Cl)ccc1Br)c1ccncn1	758912767	OCUAKFYAOLHYKF-YHYXMXQVSA-N	320.577	3.957	50	20	DHGD	
O=C1/C(=C/c2cnn(CCCl)c2)CCc2ccc(Cl)cc21	761204440	BEKHJCXEJPVJLP-NTUHNPAUSA-N	321.207	3.988	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccc2ccccc2c1)C(F)(F)F	761766614	LLIIFNOEKLJINR-SNVBAGLBSA-N	324.302	3.662	50	20	DHGD	
C#C[C@H](OC(=O)/C(C#N)=C\c1cc(C)n(CCCC)c1C)C1CC1	767519622	DNZSBYLRDQIAGV-OVCORXIESA-N	324.424	3.767	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)[C@H](F)c1ccccc1	769437595	XCUNWILNZMLTJR-CYBMUJFWSA-N	312.266	3.859	50	20	DHGD	
CC(C)C(C)(C)C(=O)NNc1ccc(Br)c(F)c1	784528450	PGAZVHCFXHNGHO-UHFFFAOYSA-N	317.202	3.714	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C/C=C\c2ccccc2)c1	786056761	QYWHJOZSOXYHSR-GLGFKYJVSA-N	302.377	3.775	50	20	DHGD	
Cc1cc(C)c(C(=O)[C@@H](C)OC(=O)/C(C#N)=C/C2CC2)cc1C	786673743	LGOMDZKWDUIKNV-BRYYZUPOSA-N	311.381	3.586	50	20	DHGD	
O=C(CCCC1CCCCC1)NNc1cccc(F)c1[N+](=O)[O-]	790590901	FUJMROPKFLJCIU-UHFFFAOYSA-N	323.368	3.928	50	20	DHGD	
CCCOc1ccc(C(C)=NN(C)C(=O)OC)c(OCCC)c1	794961162	GUOIVEDKSCNWBX-UHFFFAOYSA-N	322.405	3.686	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(Cl)nc1C	799760884	RWTYEXFAEFUDQC-UHFFFAOYSA-N	303.793	3.671	50	20	DHGD	
CSC1(C=NNC(=O)c2ccc(OCCC(C)C)cc2)CC1	800806622	CUPPGLNLTJOZIT-UHFFFAOYSA-N	320.458	3.723	50	20	DHGD	
C[C@@H]1CC[C@@H](C=NNC(=O)CCSc2ccc(F)cc2)C1	800808479	UBKCUICPZJJFCD-CHWSQXEVSA-N	308.422	3.846	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cc(C(C)C)no1	812768780	GIZQAWMETKNMBS-UHFFFAOYSA-N	301.390	3.987	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)CCCCCCC(=O)O)cc1	814745179	LNKFWXXDJNXLFS-UHFFFAOYSA-N	318.417	3.780	50	20	DHGD	
COC(=O)CCC[C@@H]1CCCC(=NNC(=O)CC2CCCC2)C1	814825186	ARHAYGQTXJDJNY-AWEZNQCLSA-N	322.449	3.572	50	20	DHGD	
C#CCCCCCC=NNC(=O)c1cccc(OC(F)F)c1	834953434	GJBXUBLBUIBNCI-UHFFFAOYSA-N	308.328	3.587	50	20	DHGD	
Cc1ccc(NNC(=O)c2cnc(C3CC3)s2)c(Cl)c1	836937118	WXFZMGSJVVWJHN-UHFFFAOYSA-N	307.806	3.739	50	20	DHGD	
CCc1ccc([C@@H](C)CC(=O)NNc2ncc(F)cc2F)cc1	837206591	MZZLQWVFRHNCOP-NSHDSACASA-N	319.355	3.559	50	20	DHGD	
CC(C)c1ccc(NNC(=O)NC[C@@H]2CCCSC2)cc1	838592485	QIROAGNTGJNETN-ZDUSSCGKSA-N	307.463	3.579	50	20	DHGD	
C[C@@H]1C[C@H]1c1ccc(CCC(=O)N(C)CC(Cl)Cl)o1	848080531	LLAGLLHISLAHSV-MWLCHTKSSA-N	304.217	3.598	50	20	DHGD	
CCCN(N=Cc1cccc(CC)c1O)C(=O)OC(C)(C)C	848410506	GXTSRBYCTCAGHX-UHFFFAOYSA-N	306.406	3.936	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@@H](c2ccccc2)C(F)(F)F)n1	862522965	MZEQVVZRIDGUCQ-ZDUSSCGKSA-N	323.318	3.569	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)C1(C(F)(F)F)CCC1	885138720	IMCFHCZGNDGXDF-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
COc1ccc(NNC(=O)c2cc(C(C)(C)C)oc2C)cc1	894265369	VUJLLGAHTIAICQ-UHFFFAOYSA-N	302.374	3.651	50	20	DHGD	
CCOc1ccc(C(C)=NNC(=O)C2CCCC2)cc1OCC	914835172	ACZDETPHPALRAL-UHFFFAOYSA-N	318.417	3.514	50	20	DHGD	
CC(=NNC(=O)CSc1ccc(Cl)cc1)c1ccccc1	916273421	CPKWNAGXVCETGJ-UHFFFAOYSA-N	318.829	3.973	50	20	DHGD	
O=C(NN=Cc1ccc(Cl)c(Cl)c1)c1ccccc1F	916290968	GAZVLJNMZWHADD-UHFFFAOYSA-N	311.143	3.896	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(-c3cnco3)cc2)c1	917489050	FSMPHZJBMVLPGT-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
Cc1cc(C)cc(/C=C(/C#N)C(=O)Nc2ccccc2C(=O)O)c1	921260506	BJRXETFBHZEYHW-GDNBJRDFSA-N	320.348	3.547	50	20	DHGD	
C[S@@](=O)CCNCc1cccc(S(F)(F)(F)(F)F)c1	921750771	ALYDGVQWQKTZRC-GOSISDBHSA-N	323.352	3.812	50	20	DHGD	
CCCC[C@H](CC)C(=O)NNc1cncc(Br)c1	1116389569	GUIFFCZNNTUOCH-JTQLQIEISA-N	314.227	3.504	50	20	DHGD	
CC(CCC(C)C)=NNC(=O)c1ccc(Br)cc1	1317704125	RJWJOBQPWRIONI-UHFFFAOYSA-N	311.223	3.991	50	20	DHGD	
CC(C)CCCCCC(=O)NNc1ccc(F)c(C(=O)O)c1	1591236366	FVSYAQPXLGSLDK-UHFFFAOYSA-N	310.369	3.574	50	20	DHGD	
CCO[C@@H](CBr)c1ccccc1Br	50479589	QWGIDKGNBOZKOR-JTQLQIEISA-N	308.013	3.922	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C/c1ccc(-c2cccs2)cc1F	54802105	CYEHFWNUQCPBIZ-RIYZIHGNSA-N	314.385	3.986	50	20	DHGD	
C=CCc1cc(/C=C(/C#N)c2nc(C)cs2)cc(OC)c1O	58246866	BSRBLVKNRBWRGM-AUWJEWJLSA-N	312.394	3.958	50	20	DHGD	
C[C@@H]1CCc2c(C(=O)NNc3ccc(F)cc3)csc2C1	66282032	YQQUHVKSSCJKBR-SNVBAGLBSA-N	304.390	3.769	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2)cc1Oc1ccncc1	115708778	UPEJJNIOSSMWSO-UHFFFAOYSA-N	319.364	3.939	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccccc2Br)cc1	120451580	XDWWJEXIONWNNQ-UHFFFAOYSA-N	305.175	3.514	50	20	DHGD	
CCS[C@H](C(=O)NNc1ccc(OC(F)F)cc1)C(C)C	123149556	MZLBLISWBVIYOY-LBPRGKRZSA-N	318.389	3.509	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@H](C)c1c(C)noc1C	131222044	AQVUEUXVKZGPIJ-SNVBAGLBSA-N	318.329	3.526	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@@H]1CCCc2sccc21	155495960	ASOPICRKJJCRDW-LLVKDONJSA-N	308.353	3.590	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)Cc2cccc(OC(C)C)c2)c1	158604713	VIAFOAFQQGLSQQ-UHFFFAOYSA-N	312.413	3.776	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C/c2cccnc2C)c(C)c1	171417911	ILQSSJIOQRZBHR-LICLKQGHSA-N	305.381	3.861	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C(=O)NNc1ccc2c(O)nccc2c1	285803391	VAEGGEZNWZRTLH-DOMZBBRYSA-N	313.401	3.600	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(\C#N)C(=O)Nc1ccccc1	490701173	WLUQNYIOBUUHFE-OQLLNIDSSA-N	320.348	3.547	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)Nc2ccccc2F)ccc1C	490971070	IJWJFWPIBHIXFA-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CCC(C)(C)CC2)cc1	726957598	SOUQDPRSJCEVHK-SSZFMOIBSA-N	312.413	3.641	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)NC[C@@H]2CC2(C)C)c1C	732798057	URQWVRVXACCORZ-NDCSFFLDSA-N	313.445	3.584	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(/C=C(\C#N)C(=O)N(C)c2ccccc2)o1	732804621	SQZSKJJGMLAIPX-YBVXIUISSA-N	306.365	3.973	50	20	DHGD	
CCCCC1CCC(C(=O)NNc2cc(C)nc(C)n2)CC1	736711972	VCHWCEHTVSNHQL-UHFFFAOYSA-N	304.438	3.533	50	20	DHGD	
CCCC(CCc1ccccc1)=NNC(=O)NCC(F)(F)F	740762012	VPFIQTKAUZTYPV-UHFFFAOYSA-N	315.339	3.637	50	20	DHGD	
Cc1ccoc1/C=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1	742345839	CPRINMCCAJPQDO-UXBLZVDNSA-N	304.708	3.926	50	20	DHGD	
CC[C@H](CNC(=O)NNc1ccc(Cl)nc1)c1ccccc1	745310397	CYFRSJLVUNTWTN-GFCCVEGCSA-N	318.808	3.555	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CCC[C@@H]2C(C)C)o1	747754209	REMIEBBYDJQFHF-OAHLLOKOSA-N	319.449	3.663	50	20	DHGD	
C[C@H](Cc1cccc(Cl)c1)C(=O)NNc1ccc(F)cc1	755448802	LCDKCWLVUDGTAJ-LLVKDONJSA-N	306.768	3.801	50	20	DHGD	
CC(C)CO[C@@H](C)C(=O)Oc1ccc([N+](=O)[O-])c2ccccc12	757425518	OKRPJYZQQYVHTM-LBPRGKRZSA-N	317.341	3.715	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)N1CCc2ccc(F)cc21	767919529	HMEVMIIOIFFCCI-LBPRGKRZSA-N	314.198	3.524	50	20	DHGD	
Cc1ccc(NC(=O)NNC(=O)C[C@@H]2CCC[C@H]2C)c(Cl)c1	768995301	HVFCVLULXXBNJC-NEPJUHHUSA-N	323.824	3.627	50	20	DHGD	
Cc1nc(C(=O)NNc2cc(Cl)cc(Cl)c2)sc1C	770797237	WFUJQXQRJMDZPS-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
Cc1cccc2c1CC[C@H]2NC(=O)NNc1c(C)cccc1F	771315374	GWZGBZYTTAYADY-MRXNPFEDSA-N	313.376	3.756	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)[C@@H]1CC[C@H]2CCCC[C@@H]2C1	774182274	XIXBCIQBTFEUFL-MGPQQGTHSA-N	320.408	3.884	50	20	DHGD	
COc1ccc(NNC(=O)Nc2ccc(F)c(Cl)c2)cc1	775390729	UEUYPVKNXGYFTL-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
Cc1cc(C=NNC(=O)NC2CCCCC2)cc2cccnc12	783799427	OPQSIJLZTBGROA-UHFFFAOYSA-N	310.401	3.509	50	20	DHGD	
CSSCCNC(=O)N1CC[C@@H](Cc2ccccc2)[C@@H]1C	790894944	LRXNPEPVDCNMQM-ZFWWWQNUSA-N	324.515	3.660	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)c1ccccc1C(F)(F)F	791219953	BRGIIIMETQLGMT-NSHDSACASA-N	323.318	3.656	50	20	DHGD	
C=C(CBr)CN1CCC[C@@H](Nc2ccccc2)C1	791481064	DRAFTQCPOGOJGB-OAHLLOKOSA-N	309.251	3.514	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)CCc1cnc2ccccc2c1	792268185	SGQFXXDVKLUPJD-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
CCC[C@](C)(CC)C(=O)NNc1ccc(-c2ccccc2)nn1	795166499	VAXQSODECRZWPM-SFHVURJKSA-N	312.417	3.803	50	20	DHGD	
C=CC[C@H](CC)NC(=O)/C(C#N)=C\c1cc(C)n(CCC)c1C	798551311	QLZGWKGMKHCZRE-FSEPTYSPSA-N	313.445	3.893	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1c(C)noc1CC	799407910	GMMPHPREGMVUSI-UHFFFAOYSA-N	302.378	3.565	50	20	DHGD	
Cc1ccc(OCC(=O)NN=C2CCC[C@@H]2CCCF)cc1C	800806349	WIDXUOZUABQWOY-OAHLLOKOSA-N	320.408	3.704	50	20	DHGD	
CO[C@H]1CCC[C@H]1CNC(=O)NNc1c(C)cccc1C(C)C	813128041	ZSOUCSCSPGXOHS-HOCLYGCPSA-N	319.449	3.560	50	20	DHGD	
CO[C@@H]1C[C@H](c2ccccc2)CCC1=NNC(=O)c1ccccc1	814685911	QTCNENZMEPWFIP-IEBWSBKVSA-N	322.408	3.755	50	20	DHGD	
CC[C@@H]1CCCC(=NNC(=O)CSc2ccccc2O)C1	814968681	NKKQKGJTTFBEFU-GFCCVEGCSA-N	306.431	3.557	50	20	DHGD	
CCSc1ccccc1C(=O)NNc1cccc(Cl)n1	817008197	HZYATSZLGZRYCM-UHFFFAOYSA-N	307.806	3.604	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCCOc2ccc(F)cc2)c1	821894585	NTKMOOCXPFWXMX-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
CC(=NNC(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCCC[C@@H]1C	834914247	NNMSWSVRTOGJQS-XHDPSFHLSA-N	303.362	3.527	50	20	DHGD	
O=C(NN=C1CCC[C@H](c2ccc(Cl)cc2)C1)C(F)F	841631868	MILHQSCEXVRQGT-JTQLQIEISA-N	300.736	3.735	50	20	DHGD	
CC1(C)C(=NNC(=O)c2ccc(O)c(Cl)c2)[C@H]2CCC[C@H]21	853307280	GLKPEMRPGJCBRC-WDEREUQCSA-N	306.793	3.588	50	20	DHGD	
C=CCCCCCN(C)C(=O)NC[C@@]1(C)C[C@@H]1Br	856898910	INGLITMOSIUMGH-GXTWGEPZSA-N	317.271	3.548	50	20	DHGD	
C[C@]1(CNC2CC(c3ccc(F)cc3)C2)C[C@@H]1Br	857064907	GCUUFRUFJADXLL-RIXNLZLZSA-N	312.226	3.835	50	20	DHGD	
O=C(NN=Cc1cccc(OC(F)F)c1)c1ccc(Cl)cc1	867648016	XCDQEEINMKWRQG-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2cccnc2)c(C)n1CC(C)C	874564644	XHHIPVOZYSNGTO-RQZCQDPDSA-N	322.412	3.702	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N(C)CCC(C)C)c1C	914527750	JVTUDJWDJVHKOW-LDADJPATSA-N	315.461	3.926	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)c2cc3c(s2)CCC3)cc1C	916315073	FKYSIFOVOMHEKS-UHFFFAOYSA-N	312.438	3.926	50	20	DHGD	
COc1ccc(CCC(=O)NN=C[C@@H](C)c2ccccc2)cc1	920377859	OTQGWEOLUYHTQN-OAHLLOKOSA-N	310.397	3.534	50	20	DHGD	
CC(C)c1ncc(/C=C(\C#N)c2nc(N)c3ccccc3n2)s1	1319090612	RSYVVIBCNJFOFP-YRNVUSSQSA-N	321.409	3.856	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)cc1Cl	1329258968	YNNKJJHGVRNHLT-HYVNUMGLSA-N	312.800	3.677	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1snnc1C(C)C	1336501987	MNQBGPFUNGIFBV-UHFFFAOYSA-N	318.446	3.850	50	20	DHGD	
COc1cc(C(=O)NN(c2ccccc2)c2ccccc2)ccn1	1337594839	VZCXHKYOFDFFQF-UHFFFAOYSA-N	319.364	3.573	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(OC)c2)cc1	1341110598	FRKJFOTUUKGIMN-GDNBJRDFSA-N	324.355	3.942	50	20	DHGD	
O=C(/C=C\c1cccc(CCl)c1)c1cccc(-c2nn[nH]n2)c1	1592793349	BADXZTYBYSCLFA-FPLPWBNLSA-N	324.771	3.502	50	20	DHGD	
CCCC(C)(C)CC(=O)NNc1ccc(C(=O)O)c(Cl)c1	1605199070	YAPXONNQXMAHSR-UHFFFAOYSA-N	312.797	3.698	50	20	DHGD	
CC(=O)N(c1ccc(C)cc1)c1nc(C=C(C#N)C#N)cs1	54895378	AVZGFDVSYOCWFH-UHFFFAOYSA-N	308.366	3.567	50	20	DHGD	
N#C/C(=C/c1c(Cl)cccc1Cl)C(=O)NC1CCCC1	58536724	VGNXKKNAJHBXHI-NTMALXAHSA-N	309.196	3.959	50	20	DHGD	
CC[C@@H](C)C[C@@H](C)NS(=O)(=O)c1ccc(CCCl)cc1	88304235	ZWYRNHJPFTUGCG-CHWSQXEVSA-N	317.882	3.571	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1ccc(Br)cc1	91983515	HJIFFDQYCRBANP-UHFFFAOYSA-N	324.153	3.737	50	20	DHGD	
CCCC[C@@H](CC)C(=O)NNC(=O)[C@@H](CC)c1ccccc1	110340618	LKRCTENDXDGMBL-ZBFHGGJFSA-N	304.434	3.544	50	20	DHGD	
COc1ccc(F)cc1NC(=O)NNc1cccc(Cl)c1	120540448	VTCUSQZMXQWFFY-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
CCCSCC(=O)NNc1c(Cl)cc(F)cc1Cl	124218111	JULILARGHDYHTC-UHFFFAOYSA-N	311.209	3.719	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNc1cc(C#N)cc(Cl)n1	126009509	RKNPPLAFSGAPSI-LLVKDONJSA-N	308.813	3.656	50	20	DHGD	
CCC[C@@H](C)CC(=O)NNC(=O)c1c(Cl)cccc1Cl	170812229	RUQJQVKWOSAUSM-SECBINFHSA-N	317.216	3.581	50	20	DHGD	
O=C(NNc1c(F)cccc1F)N[C@@H](c1ccccc1)C1CC1	172470239	WBCZJJAYIYRYND-HNNXBMFYSA-N	317.339	3.742	50	20	DHGD	
COC(=O)/C(C#N)=C\c1cn(-c2ccc(C)cc2)nc1C(C)(C)C	177535400	JGPKOEDEQGYHPC-UVTDQMKNSA-N	323.396	3.558	50	20	DHGD	
CCCCS[C@H](C)C(=O)NNc1cccc2cnccc12	178519950	SJCGLUSJFYYXKJ-GFCCVEGCSA-N	303.431	3.600	50	20	DHGD	
O=C(COc1cccc2ccccc12)NNc1cccc(F)c1	178924176	CAADVXVCOMINIV-UHFFFAOYSA-N	310.328	3.501	50	20	DHGD	
CC(C)c1cccc(-c2ccc(C(=O)NNc3ncccn3)o2)c1	180368522	FODSAAQFYPWIDJ-UHFFFAOYSA-N	322.368	3.617	50	20	DHGD	
COCCOc1cccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c1	215954660	AIMNRUIHUPUDGG-LFIBNONCSA-N	324.336	3.684	50	20	DHGD	
N#CC1=CCN(Cc2nc3cc(C(F)(F)F)ccc3o2)CC1	272714186	YGMOSQIWRVKFEE-UHFFFAOYSA-N	307.275	3.502	50	20	DHGD	
N#C/C(=C/c1nccn1-c1ccccc1)c1nc2ccccc2[nH]1	588578619	BRPOKSCKBDUUJY-OWBHPGMISA-N	311.348	3.813	50	20	DHGD	
O=C(CCc1ccccc1O)NN=Cc1csc2ccccc12	729935152	KGAPNKSKPJXPJN-UHFFFAOYSA-N	324.405	3.690	50	20	DHGD	
CC[C@@H](Cc1ccc(Cl)cc1)NC(=O)NNc1ccccc1	734952919	HYTINLJTSUHAOI-HNNXBMFYSA-N	317.820	3.987	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC[C@@H](C3CC3)C2)cc1	737429971	HXVYOPKJQARXGZ-MRXNPFEDSA-N	314.429	3.700	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccccc2)C12CCCCC2	741450891	DQFLIUKUNRWKDT-MRXNPFEDSA-N	300.402	3.532	50	20	DHGD	
Cn1cc(C(=O)NN=C2C[C@H]3C[C@H]2[C@@H]2CCC[C@@H]32)c2ccccc21	744780364	LULFWXPVYVTEJM-CTASWTNQSA-N	321.424	3.720	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2ccc(OC)cc2)cc1	746886162	IKRGQWJICYNHNE-UHFFFAOYSA-N	312.413	3.724	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2cn(-c3ccccc3)nn2)n1	747440515	QDIHKAPRCIAAFA-JYRVWZFOSA-N	321.409	3.911	50	20	DHGD	
COc1cc(C(C)=NNC(=O)c2ccccc2)ccc1SC	747602473	MNMYJMQYDAFSHW-UHFFFAOYSA-N	314.410	3.571	50	20	DHGD	
O=C(Cc1ccncc1)NN=Cc1cc(-c2ccccc2)cs1	747640816	LXTZCBSCCSMBIU-UHFFFAOYSA-N	321.405	3.503	50	20	DHGD	
O=C(NN=Cc1ccc(F)c(F)c1)c1ccc(Cl)cc1F	747645493	GEQWKMBRWRFMSD-UHFFFAOYSA-N	312.678	3.521	50	20	DHGD	
Cc1cccc(C)c1NCC(=O)NNc1cccc2c1CCCC2	748577278	DHNHGHFEZIIRJO-UHFFFAOYSA-N	323.440	3.737	50	20	DHGD	
CCC1(C)CCC(=NNC(=O)COc2ccccc2OC)CC1	751516969	UOVYNHFIYATSMM-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
O=C(CCCc1ccccc1)NN=C[C@H]1CCOc2ccccc21	752164424	HQBBFYWLMJHAAU-QGZVFWFLSA-N	322.408	3.678	50	20	DHGD	
CC(C)(C(=O)NN=C[C@H]1CCOc2ccccc21)c1ccccc1	752166010	VZUAITGRYSMNHG-OAHLLOKOSA-N	322.408	3.633	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)[C@@H]1CC=CCC1	753172004	AVGSSMPPIGNKIW-GFCCVEGCSA-N	323.234	3.811	50	20	DHGD	
O=C(NN=Cc1cc(Cl)ccc1F)c1cc2c(s1)CCC2	753688308	DYQRMWWCKCQKPR-UHFFFAOYSA-N	322.792	3.793	50	20	DHGD	
C[C@@H]1CCC[C@H]1NC(=O)NNc1cc(C(F)(F)F)ccc1F	754641999	UFUAKTHYAHDFNQ-LDYMZIIASA-N	319.302	3.659	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)[C@H](C)CCC(C)(C)C)o1	755199527	UVNJMSRKLZJFDH-LLVKDONJSA-N	306.410	3.575	50	20	DHGD	
O=C(NN=CCCc1c(F)cccc1Cl)c1ccc(O)cc1	755467796	NGZRCHIYRIMRLQ-UHFFFAOYSA-N	320.751	3.533	50	20	DHGD	
Cc1ccc(NC(=O)CCCC[C@H]2CCSS2)c(O)n1	756237203	FCTBUWFXMJJWCY-NSHDSACASA-N	312.460	3.748	50	20	DHGD	
Cc1ccc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1C	758503558	XEKNLACXPCRBSV-LICLKQGHSA-N	307.349	3.659	50	20	DHGD	
O=C(CCc1ccccc1)NN=Cc1cc(F)cc(Cl)c1	776730352	SSZAADIJUHAHPN-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
C=CC[C@@H](C(=O)OC[C@@H](C)CBr)c1ccccc1	778430935	XHVGVMHZEXZBMG-GXTWGEPZSA-N	311.219	3.921	50	20	DHGD	
C=Cn1cc(/C=C(\C#N)C(=O)c2cccc(C(F)(F)F)c2)cn1	780529565	YMEPEQYJBSEOOA-AWNIVKPZSA-N	317.270	3.792	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)C[C@@H](C)C2CCCCC2)c1	780791321	JDUPSPZQIJIYHI-CYBMUJFWSA-N	318.417	3.523	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc3nc(C)ccc3c2)cc1	783508797	DQKYXADSHKUACD-UHFFFAOYSA-N	317.392	3.870	50	20	DHGD	
C=C(CBr)CN(C)[C@@H](C)c1ccc(F)c(F)c1	791441211	GDSGFXYLMRWAKK-JTQLQIEISA-N	304.178	3.909	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ccc(F)cc1O	791732352	KBHKOFQWFXCUMB-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CCCCOc1ccccc1NC(=O)NNc1ncccc1C	792257739	BCEWAWLOMPEDDJ-UHFFFAOYSA-N	314.389	3.718	50	20	DHGD	
CN(C(=O)/C(C#N)=C\c1ccc(F)cc1)c1ccc2cc[nH]c2c1	792579593	WKPXESLIVYUINF-GDNBJRDFSA-N	319.339	3.877	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)c(C)c2)ccc1O	809146715	SVDSIINDXRFQHY-SXGWCWSVSA-N	307.349	3.808	50	20	DHGD	
Cc1ccccc1C(=O)NNC(=O)c1ccc(C2CCCC2)cc1	809982442	RDRFAIRVQHJBDX-UHFFFAOYSA-N	322.408	3.727	50	20	DHGD	
N#Cc1ccc(NNC(=O)CCCc2ccccc2Cl)cc1	810682106	TUOGBVXLHNTPFA-UHFFFAOYSA-N	313.788	3.678	50	20	DHGD	
CSCCCN(C)Cc1ccc(OCCCCl)cc1	811500369	AZOPREJTPDSENV-UHFFFAOYSA-N	301.883	3.879	50	20	DHGD	
COc1ccc(NC(=O)NN=C[C@@H]2CCc3ccccc32)cc1	814998066	RNZSSUICWHWJAQ-AWEZNQCLSA-N	309.369	3.533	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)[C@@H](OC(C)C)c2ccccc2)c1	815853282	DKBXLMNQCUWKEC-SFHVURJKSA-N	312.413	3.913	50	20	DHGD	
CC(=O)c1cc(C(=O)NNc2ccc(Cl)c(F)c2)cs1	815857777	UNDOZVVWHPEINS-UHFFFAOYSA-N	312.753	3.500	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1nc2ccccc2n1C	816576988	QUBMFEKIYIPBPO-UHFFFAOYSA-N	302.422	3.623	50	20	DHGD	
C[C@@H]1CC[C@H](CC(=O)NNc2cc(Cl)nc(Cl)c2)C1	819747108	KTBOGBWVFGDUTR-BDAKNGLRSA-N	302.205	3.658	50	20	DHGD	
Cc1cccc2sc(NNC(=O)CCCCCC#N)nc12	828357694	AGKSWWMSNFWOSR-UHFFFAOYSA-N	302.403	3.522	50	20	DHGD	
C[C@H](Oc1ccc2ccccc2c1)C(=O)NCC(Cl)Cl	837645135	GQVPKOCSBPSKGY-JTQLQIEISA-N	312.196	3.527	50	20	DHGD	
CC[C@H](C)[C@H](C)C(=O)NNc1cc(F)ccc1Br	839879109	OZTJQDKZYJSCAW-IUCAKERBSA-N	317.202	3.714	50	20	DHGD	
CC(C)Cn1c(SC/C=C/C#N)nnc1-c1ccccc1F	839954708	DZXUSAPZRLETGI-AATRIKPKSA-N	316.405	3.912	50	20	DHGD	
Oc1nc(C(Cl)Cl)nc2sc(C(F)(F)F)cc12	841500033	FCOJWVUGHPBGKP-UHFFFAOYSA-N	303.092	3.892	50	20	DHGD	
CC(C)(O)CCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345537	TVMJKMAFMUMARQ-UHFFFAOYSA-N	315.574	3.881	50	20	DHGD	
COc1ccc(C(=O)NNc2ccc(C)c(F)c2)cc1C1CC1	856227208	ACIFVCZBUSQPLM-UHFFFAOYSA-N	314.360	3.777	50	20	DHGD	
BrC[C@H](CN1CCC[C@@H]1c1ccccn1)C1CC1	859160388	IEIKLHPNBOXLMW-UKRRQHHQSA-N	309.251	3.640	50	20	DHGD	
C[C@]1(C(=O)NNc2ncc(Cl)cc2Cl)C[C@H]2CC[C@H]1C2	860937826	FGCCVACNGVOOBY-FZNYLWTLSA-N	314.216	3.658	50	20	DHGD	
CCC(CC)n1nccc1C(=O)NNc1ccc(Cl)cc1F	885108123	WIMAPJIYVWCZGB-UHFFFAOYSA-N	324.787	3.794	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1	891550166	SDECUIKYTDDEAZ-NWDGAFQWSA-N	319.468	3.654	50	20	DHGD	
Cc1cccc(C(=O)/C(C#N)=C/c2cn(C)nc2C2CC2)c1C	899343763	CNPYROPKRYTSNF-OQLLNIDSSA-N	305.381	3.704	50	20	DHGD	
CS[C@@H]1CCCC(=NNC(=O)c2cc3c(s2)CCC3)C1	901144754	XBOMSFXNMZBPRJ-GFCCVEGCSA-N	308.472	3.628	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cncn1C(C)C	901418479	GONQBPZALPNZKE-NVNXTCNLSA-N	308.385	3.627	50	20	DHGD	
CCCOc1ccc(C(=O)NN=C2CCC[C@@H](C)C2)cc1OC	916348348	JNELBHVJCQHGOS-CYBMUJFWSA-N	318.417	3.780	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C1CCN(C2CCCC2)CC1	917544517	AEMCXYIANXABIP-UHFFFAOYSA-N	314.433	3.511	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCc2c([nH]c3ccccc23)C1	1123678634	WLXIMQQQBVASRB-UHFFFAOYSA-N	316.832	3.850	50	20	DHGD	
CCCN(N=C1CCN(C)c2ccccc21)C(=O)OC(C)(C)C	1340938870	PHVRFNYAXZDWMO-UHFFFAOYSA-N	317.433	3.878	50	20	DHGD	
CCc1oc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1C(=O)O	1597790752	DZZVEFFKQFEACU-YRNVUSSQSA-N	321.336	3.789	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccccc1OCc1ccccc1	3617571	MTKNGVSONGAXBN-QGOAFFKASA-N	319.360	3.902	50	20	DHGD	
CC(C)Oc1ccc(/C=C(/C#N)C(=O)NC2CCCCC2)cc1	6828067	HWFSRGAGZTUPML-VBKFSLOCSA-N	312.413	3.830	50	20	DHGD	
CN(Cc1ccccc1[N+](=O)[O-])/C(=C/C#N)c1ccc(F)cc1	79316120	PTLVSBOWVVCRCK-MHWRWJLKSA-N	311.316	3.730	50	20	DHGD	
CCOc1ccc([N+](=O)[O-])cc1/C=C(/C#N)C(=O)CC(C)(C)C	121507839	YSRSVUXZZIJVIQ-JYRVWZFOSA-N	316.357	3.906	50	20	DHGD	
C[C@@H](CSCc1ccccc1)C(=O)NNc1ccccc1F	153077409	KBYDFVZMTGCANY-ZDUSSCGKSA-N	318.417	3.838	50	20	DHGD	
O=C(NNc1cccc(F)c1)[C@H]1C[C@]12CCCc1ccccc12	154415069	DQIXDBWQGNHMIB-MJGOQNOKSA-N	310.372	3.563	50	20	DHGD	
N#Cc1ccc(NNC(=O)c2ccc(-c3ccccc3)cc2)cc1	155107352	MVCQKHNBDCJTPS-UHFFFAOYSA-N	313.360	3.982	50	20	DHGD	
CCCN(C)c1ccc(C(=O)NNc2cc(C)cc(C)c2)cc1	158773344	OSTCEHVVVAWICE-UHFFFAOYSA-N	311.429	3.907	50	20	DHGD	
N#C/C(=C/c1coc2ccccc12)c1nnc2n1CCCCC2	160196857	JBHIMXUOORHYLO-RAXLEYEMSA-N	304.353	3.815	50	20	DHGD	
Cc1ccnc(NNC(=O)C(c2ccccc2)c2ccccc2)c1	176762462	YJBYWUYUTKUKFT-UHFFFAOYSA-N	317.392	3.665	50	20	DHGD	
N#C/C(=C/c1cncs1)c1nc2ccccc2n1C(F)F	178322329	DIFSSUHEFHQPEB-UITAMQMPSA-N	302.309	3.952	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1cccc(C(F)F)c1	181086096	AUAGJILBNKIHFW-UHFFFAOYSA-N	313.307	3.929	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1cc(O)cc(C(F)(F)F)c1	295926448	NFSDVYXJJKNBFK-YCRREMRBSA-N	301.239	3.635	50	20	DHGD	
CC(C)c1nc(C=NN(C)C(=O)OC(C)(C)C)c2ccccn12	494057214	BFMDCPVDFDNUKN-UHFFFAOYSA-N	316.405	3.659	50	20	DHGD	
CCCC(=NNC(=O)c1cccn1C)c1ccc(Cl)cc1	725846381	CDXBQTDZYCBXSV-UHFFFAOYSA-N	303.793	3.613	50	20	DHGD	
C[C@H]1CCC[C@H](CC(=O)NNc2cccc(C(F)(F)F)n2)C1	740140018	HCAFACMUZJSJQG-QWRGUYRKSA-N	315.339	3.760	50	20	DHGD	
CCO[C@@H]1CC(=NNC(=O)c2ccc(CC)cc2)C12CCCC2	743427384	NYWFYVOOKJRIRH-QGZVFWFLSA-N	314.429	3.704	50	20	DHGD	
CC(C)(C)C(=O)NN=Cc1ccc(Br)cc1Cl	743436723	CMXSQFHHUPJAOQ-UHFFFAOYSA-N	317.614	3.599	50	20	DHGD	
COc1ccc(NNC(=O)c2cc3ccccc3cc2OC)cc1	746887923	YNJMDSZXKZBVDU-UHFFFAOYSA-N	322.364	3.614	50	20	DHGD	
O=C(C[C@H]1C[C@H]2CC[C@H]1C2)NNc1ccc([N+](=O)[O-])cc1Cl	748722293	PKZDFYVMHGHTTB-GARJFASQSA-N	323.780	3.518	50	20	DHGD	
Cc1ccccc1CC(=O)NNc1cc(Cl)ccc1Cl	752813547	WJFKTCFVPSGIBA-UHFFFAOYSA-N	309.196	3.988	50	20	DHGD	
CC(C)CC(=NNC(=O)c1c[nH]c2ccccc12)c1ccccn1	760225807	NHUUMQKRKYTNIS-UHFFFAOYSA-N	320.396	3.743	50	20	DHGD	
N#CC(C#N)=CNc1ccc(OCC(F)F)c(C(F)(F)F)c1	766284432	SCDNDUXKFYDVCK-UHFFFAOYSA-N	317.217	3.692	50	20	DHGD	
CS[C@H]1CCCCN(C(=O)[C@H](Br)C(C)(C)C)C1	768294272	KLQCNUCBBWXUMK-QWRGUYRKSA-N	322.312	3.540	50	20	DHGD	
C[C@@H](CBr)CN(Cc1ccccc1)CC(F)F	770654547	DGOMFAWAVKPXFI-NSHDSACASA-N	306.194	3.785	50	20	DHGD	
Cc1cc(OC(=O)[C@H]2CCCc3sccc32)ccc1[N+](=O)[O-]	771271902	AMQIYOISGRAWCQ-ZDUSSCGKSA-N	317.366	3.990	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2c(C)cccc2F)cc1	771696787	AIFVAGMRRQPVDZ-CYBMUJFWSA-N	300.377	3.943	50	20	DHGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCCO2)C(=O)C1CCCC1	781556257	WBBCMIKAIGEESI-NTUHNPAUSA-N	317.772	3.777	50	20	DHGD	
Cc1ccnc(OC2CCN(/C(=C/C#N)c3ccccc3)CC2)c1	782511021	ZADKVFMLYSIIHU-FBCYGCLPSA-N	319.408	3.798	50	20	DHGD	
CSc1ccccc1CC(C)=NNC(=O)c1ccc(C#N)cc1	782904156	XJQADLLPOACSMW-UHFFFAOYSA-N	323.421	3.629	50	20	DHGD	
Cc1csc(CC(=O)NN=CC2CCC(C(C)(C)C)CC2)n1	783817174	XMSRCICCOJNXKO-UHFFFAOYSA-N	321.490	3.949	50	20	DHGD	
CC[C@@](C)(NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	787337353	KCGXDTQKKXMRQU-MQMQVCBVSA-N	320.392	3.741	50	20	DHGD	
C[C@@H](C=NNC(=O)c1ccc[nH]1)c1ccc(C(F)(F)F)cc1	788981942	YMVYIBAWYOWXSG-JTQLQIEISA-N	309.291	3.553	50	20	DHGD	
O=C(NCc1ccccc1)NNc1cc(Cl)cc(Cl)c1	790101320	MFWCHLOWFMMXMP-UHFFFAOYSA-N	310.184	3.820	50	20	DHGD	
C=C(CBr)COC(=O)c1cccc(Cl)c1F	795551268	CFDROTKMHZNYCE-UHFFFAOYSA-N	307.546	3.587	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1sccc1Cl	795952078	UTJFSPCKKNYSII-UHFFFAOYSA-N	313.718	3.538	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NC[C@@H]1CCCSC1	805292254	LABJYQZVVLDILX-QWHCGFSZSA-N	319.561	3.960	50	20	DHGD	
COCC(C)(C)CCCNC(=O)NNc1c(C)cc(C)cc1C	807583138	JSQDPNQYSNIZRV-UHFFFAOYSA-N	321.465	3.691	50	20	DHGD	
O=C(NCC(Cl)Cl)c1sccc1-c1ccccc1	808131499	WUZGRQJIIZNUPN-UHFFFAOYSA-N	300.210	3.949	50	20	DHGD	
COCCOCc1ccc(/C=C(/C#N)C(=O)C2CCCC2)cc1	809145779	FYQWQSICDIQJBD-PDGQHHTCSA-N	313.397	3.516	50	20	DHGD	
C/C(=C/c1ccc(Cl)cc1)C(=O)NNc1cccnc1Cl	810494504	UDPWZPWXSOVIOX-KTKRTIGZSA-N	322.195	3.935	50	20	DHGD	
CCc1nnc(NC(=O)NNc2c(C)cccc2C(C)C)s1	812914955	UUJKDOBVDRKRMU-UHFFFAOYSA-N	319.434	3.681	50	20	DHGD	
Cc1ccc(SCC(=O)NN=C2CCC(C)(C#N)CC2)cc1	834929007	HITMRNQCUALXRI-UHFFFAOYSA-N	315.442	3.663	50	20	DHGD	
C=CCn1c(C)cc(C(=O)/C(C#N)=C\c2cccn2CC)c1C	840730475	GMYQZGJCWLQABA-VBKFSLOCSA-N	307.397	3.902	50	20	DHGD	
O=C(NN=C[C@@H]1CCC[C@H](C(F)(F)F)C1)NC1CCCCC1	853265293	NIAAJJGQOBYUEK-NEPJUHHUSA-N	319.371	3.973	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCCN(c2cc(F)ncn2)C1	853897890	VGLLXZQKYPENRM-GFCCVEGCSA-N	311.477	3.606	50	20	DHGD	
Cc1oc(C(C)C)nc1C(=O)NNc1cc(F)cc(Cl)c1	855620015	HZFHVYAXSLHGHW-UHFFFAOYSA-N	311.744	3.656	50	20	DHGD	
CCc1nc([C@@H](C)NC[C@H](CBr)C2CC2)cs1	859250663	MXJVGWSTJHZEGP-KOLCDFICSA-N	317.296	3.777	50	20	DHGD	
O=C(NCc1ccc(Cl)cc1)NNc1ccccc1Cl	915879451	WCOBUMITNYXJQH-UHFFFAOYSA-N	310.184	3.820	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@H]2CCO[C@H](C(C)C)C2)c(C)c1	935022718	XXCGRVTTWWLBJI-HOTGVXAUSA-N	304.434	3.506	50	20	DHGD	
C[C@@H](NC(=O)/C(C#N)=C\c1cccn1C1CC1)c1ccccc1	1117944640	JZEXGTCDUMPHQO-IZCBMXNHSA-N	305.381	3.607	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)c1cc2c(o1)CCCC2	1123672671	YUIWRLCFVXDPEQ-UHFFFAOYSA-N	308.740	3.708	50	20	DHGD	
Cc1cc(F)ccc1N(Cc1cccc(C#N)c1)C(=O)CCl	1319681939	GNZUHXIPJFGJDO-UHFFFAOYSA-N	316.763	3.778	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(C(=O)O)c2ccccc12	1601560897	DZRWHTLFQBYCON-UHFFFAOYSA-N	321.336	3.687	50	20	DHGD	
CC(C)c1nc2ccccc2n1/C(C#N)=C\c1cc(C(=O)O)co1	1776384045	HYFUBFQFRZDMIB-JYRVWZFOSA-N	321.336	3.973	50	20	DHGD	
CCCCNC(=O)/C(C#N)=C/c1ccc(N2CCCCC2)cc1	6910346	HFRSBDVXDBRHAE-SAPNQHFASA-N	311.429	3.500	50	20	DHGD	
N#C/C(=C\c1c(F)cccc1Cl)c1nnc2n1CCCCC2	7158895	RFYGUDIWZFQWOV-PKNBQFBNSA-N	316.767	3.861	50	20	DHGD	
Cc1cc(C)cc(C(=O)NNc2ccc(Br)cc2)c1	48425723	ORXVYPHJIISYJD-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
O=C(NNc1ncccc1Cl)Nc1cc(F)ccc1Cl	92757605	XPAZYPVNESGNEI-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc2cc(F)ccc2o1	120347257	PETWVLKNJGHCQY-UHFFFAOYSA-N	304.708	3.982	50	20	DHGD	
CC(C)(C(=O)NNc1ccc(F)cc1F)c1cccc(F)c1	133061925	AQPWATXNANQIMK-UHFFFAOYSA-N	308.303	3.525	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2ccc([N+](=O)[O-])cc2)cc1	133968972	LYPBPJRZSISTHL-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnn(-c2ccc(F)cc2)c1	170838610	KZXXYHDZLRYDJD-OQLLNIDSSA-N	311.360	3.924	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C/c1cccc(C(=O)O)c1Cl	188794269	UOWFUXFZIHGDIQ-ZDIKFAODSA-N	305.761	3.950	50	20	DHGD	
CC(C)(C)n1cc(/C=C(\C#N)C(=O)c2ccc(Cl)s2)nn1	191337543	RKZOKZCPWGVPOB-RMKNXTFCSA-N	320.805	3.538	50	20	DHGD	
CC(=NNC(=O)c1cc(C)nc2ccccc12)c1ccccc1	253482801	RPIWOHCOUJHOJZ-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
COc1cccc(NC(=O)/C(C#N)=C/c2ccc(C)c(F)c2)c1	255285866	MQFDKRGVEIOMCJ-RIYZIHGNSA-N	310.328	3.688	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)c2cc(C(F)(F)F)ccn2)cn1	291596550	QHVXXFXYXHFIOJ-LFYBBSHMSA-N	306.291	3.942	50	20	DHGD	
Cc1ccc(F)c(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)c1	727071195	SNTFQBWNXHWQGH-UHFFFAOYSA-N	303.289	3.878	50	20	DHGD	
CC(C)(C)CC(=O)NNc1ccc(Br)cc1Cl	729275838	WCMQYFBSPUVOBZ-UHFFFAOYSA-N	319.630	3.982	50	20	DHGD	
CC(=NNC(=O)COc1cc(C)cc(C)c1)c1sccc1C	733745166	CVBXCFMEIAPOLW-UHFFFAOYSA-N	316.426	3.593	50	20	DHGD	
CCO[C@H]1CC(=NNC(=O)c2ccccc2)C12CCCCC2	741450890	DQFLIUKUNRWKDT-INIZCTEOSA-N	300.402	3.532	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@@H]2CCC[C@H](C)C2)c(C)c1	743764363	OFACRZWFDQXOSF-BLLLJJGKSA-N	304.434	3.650	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)c1sccc1C1CC1	746704706	GURWFGRRYVAUEF-UHFFFAOYSA-N	312.316	3.800	50	20	DHGD	
CC(C)c1cccc(O[C@H](C)C(=O)NNc2ccccc2F)c1	748057252	MJOBQUWJFFJQBS-CYBMUJFWSA-N	316.376	3.860	50	20	DHGD	
CC(C)c1nc(C#N)c(NNC(=O)C[C@@H](C)C2CCCCC2)o1	751386622	IDDVGPQZZWYKDM-GFCCVEGCSA-N	318.421	3.719	50	20	DHGD	
C=C(C)[C@H](CC(=O)NNc1c(Cl)cccc1Cl)OCC	755983869	WKCQWIWUWCTWMV-LBPRGKRZSA-N	317.216	3.808	50	20	DHGD	
CC(CC1CCOCC1)=NNC(=O)c1ccc2ccccc2c1	757573726	BEYGYXPHPSLELF-UHFFFAOYSA-N	310.397	3.762	50	20	DHGD	
CCN(C[C@H]1COc2ccccc2O1)/C(=C\C#N)c1ccccc1	764121039	LZFKIXZGJHLAKO-KMTKGMGQSA-N	320.392	3.713	50	20	DHGD	
COc1cc(/C(C#N)=C\c2ccc(F)cc2F)ccc1[N+](=O)[O-]	766778390	KBYHGJACMVXXJI-SDQBBNPISA-N	316.263	3.946	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2cc(Cl)ccc2Cl)c1	768183437	ZVDAWPUJTPXNPB-UHFFFAOYSA-N	323.179	3.953	50	20	DHGD	
CCC(=O)c1ccc(C(=O)NNc2c(F)cccc2Cl)cc1	770190811	MVNCXPIXDPSQGT-UHFFFAOYSA-N	320.751	3.829	50	20	DHGD	
N#CCOc1cccc(/C=C(/C#N)C(=O)c2cc(F)cc(F)c2)c1	772175277	IKHNUJRDZZMXGM-NSIKDUERSA-N	324.286	3.657	50	20	DHGD	
CC(C)CC(C)(C)C(=O)NNc1ncc(Cl)cc1Cl	775270637	NFRLVDDQIMEGKW-UHFFFAOYSA-N	304.221	3.904	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cc(C)n([C@H](C)C3CC3)n2)c1	777418854	YMPMIMCBJAQXEU-CQSZACIVSA-N	312.417	3.536	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1cccn1Cc1ccccc1C#N	782197829	ZFRZROFTVGQPCT-LICLKQGHSA-N	303.365	3.540	50	20	DHGD	
CCc1ccccc1COC(=O)/C(C#N)=C/c1ccc(OC)cc1	782237167	AUGONMPRNRYIAB-LDADJPATSA-N	321.376	3.908	50	20	DHGD	
CC(=NNC(=O)N(C)C)c1cc(F)ccc1SC(C)(C)C	790286577	ACTFZIHEIUCACY-UHFFFAOYSA-N	311.426	3.712	50	20	DHGD	
CC(C)Cc1ccccc1C(=O)NNc1cnc2ccccc2n1	790892453	IFDGMHGXRPASPE-UHFFFAOYSA-N	320.396	3.585	50	20	DHGD	
N#C/C(=C\c1cccc(O)c1)C(=O)c1ccc2ncccc2c1	794885391	RGFBEQBWGUAJNZ-CXUHLZMHSA-N	300.317	3.730	50	20	DHGD	
CC/C=C(\C)C(=O)NNC(=O)Nc1ccc(Cl)cc1Cl	802092607	VITLLAWAQLIGIC-XBXARRHUSA-N	316.188	3.502	50	20	DHGD	
CC[C@@](C)(C#N)C(=O)NNc1c(Cl)cc(F)cc1Cl	802965588	JLKMTFGLHCJHTA-LBPRGKRZSA-N	304.152	3.515	50	20	DHGD	
CCO/C=C(/C#N)C(=O)N(CC(C)C)[C@H](C)c1ccccc1C	819744959	KHUZJEKBMUVUPY-UDLNKVAWSA-N	314.429	3.985	50	20	DHGD	
Cc1ccccc1-c1ccccc1C=NNC(=O)[C@H]1CCCCO1	834986818	XPKTVVFDXQSFDR-LJQANCHMSA-N	322.408	3.681	50	20	DHGD	
COc1ccc(CC(=O)NNc2ccc(C(C)C)cc2)cc1F	837057697	FAISVZOYRYYMAD-UHFFFAOYSA-N	316.376	3.644	50	20	DHGD	
COCC(CC(C)(C)C)=NNC(=O)c1ccc(Cl)cc1F	844584342	RPXOQKCZMKTUBS-UHFFFAOYSA-N	314.788	3.648	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1ccn(C)c1-c1ccccc1	854479999	YQIXZRAIPJLQRR-UHFFFAOYSA-N	311.212	3.568	50	20	DHGD	
CCOc1ccc(NNC(=O)CC[C@H]2CC2(Cl)Cl)cc1	854656063	BIMVAWBFMQRHFE-JTQLQIEISA-N	317.216	3.502	50	20	DHGD	
CSc1ccc(CNC[C@@]2(C)C[C@@H]2Br)cc1	856806327	DMMBYFQSPNEMIP-QWHCGFSZSA-N	300.265	3.672	50	20	DHGD	
CC(C)C[C@@H]1OCCC[C@@H]1NC[C@@H](CBr)C1CC1	859259150	DBFYSXXELVDPGB-ILXRZTDVSA-N	318.299	3.591	50	20	DHGD	
O=C(CCCC1CCOCC1)NNc1cccc(F)c1Cl	862507058	TWWFBVCHTQLKKO-UHFFFAOYSA-N	314.788	3.519	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(OCc2ccccc2)cc1)C1CC1	862519095	RQYWTMFEOIMICF-CQSZACIVSA-N	310.397	3.755	50	20	DHGD	
CC[C@@H](CNC(=O)NNc1ccc(F)cc1)c1ccccc1	915920186	LAAAHXFKHMRFBU-ZDUSSCGKSA-N	301.365	3.646	50	20	DHGD	
O=C(NN=Cc1ccccn1)c1cc2c(s1)CCCCCC2	916350466	MYCDELKZCDQDJZ-UHFFFAOYSA-N	313.426	3.566	50	20	DHGD	
C[C@@H](C=NNC(=O)Cc1ccc(Cl)cc1)c1ccccc1	916350974	ULFBJDQJLLVNPI-ZDUSSCGKSA-N	300.789	3.788	50	20	DHGD	
CC(=NNC(=O)Cc1cccc2ccccc12)c1ccc(O)cc1	916661144	FYHQAMZWTVVSOC-UHFFFAOYSA-N	318.376	3.628	50	20	DHGD	
Cc1cccc(NNC(=O)C(F)(F)c2ccc(Cl)cc2)c1	1321752631	SPDMQDUWXPJQJZ-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
CCCC[C@H](CCC)CNC(=O)NNc1cccc(C(=O)O)c1	1595632683	MVJVDIIGSNTIRD-ZDUSSCGKSA-N	321.421	3.617	50	20	DHGD	
CC(C[C@H](C)CC(C)C)=NNC(=O)c1ccc(C(=O)O)cc1	1776100371	DIEOCLGLIAPYJQ-GFCCVEGCSA-N	304.390	3.563	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1ccc(F)c(C(=O)O)c1	1777477253	QTJLBOFWERXAFQ-IZZDOVSWSA-N	315.325	3.684	50	20	DHGD	
COC(=O)c1ccccc1-c1ccc(/C=C(/C#N)C(=O)C(C)C)o1	44027300	DWYUJXYRXUYOPO-RAXLEYEMSA-N	323.348	3.865	50	20	DHGD	
O=C(NNc1nc2ccccc2s1)Nc1c(F)cccc1F	91984994	CSNXSCXVIXYIEP-UHFFFAOYSA-N	320.324	3.723	50	20	DHGD	
C[C@@H](CC(=O)NNc1ccccc1F)c1ccc(F)cc1F	152735401	WJWIIQVQERXIDK-JTQLQIEISA-N	308.303	3.741	50	20	DHGD	
N#Cc1ccc(O)c(NC(=O)CCCC[C@H]2CCSS2)c1	176399715	ZIUAAPBRFHNWGM-LBPRGKRZSA-N	322.455	3.916	50	20	DHGD	
Cc1cc(C)cc([C@H](C)NC(=O)/C(C#N)=C\c2ccc(O)cc2)c1	188440029	NYIUDYPNTMDJIN-GZQZNAIASA-N	320.392	3.793	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C/c1ccc(N(C)C(C)C)nc1	190244437	KQDKHUVASYHJAH-OQLLNIDSSA-N	309.369	3.618	50	20	DHGD	
CC(C)OC(=O)/C(C#N)=C\c1cnc(-c2cccs2)s1	254949542	QASINFVQEKPJIM-POHAHGRESA-N	304.396	3.730	50	20	DHGD	
CCCc1cc(C(=O)NNc2cc(Cl)nc(C)n2)sc1C	267225124	VAFVFBYQURVUBC-UHFFFAOYSA-N	324.837	3.518	50	20	DHGD	
CC[C@@H](C)N(C)CCNC(=O)CCCC[C@H]1CCSS1	727175743	XSWRWDCLWIEUTO-KGLIPLIRSA-N	318.552	3.547	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccccc1F	730146210	KJULLBVJHUVDTC-UHFFFAOYSA-N	307.328	3.528	50	20	DHGD	
CC(C)COc1ccccc1C(=O)NNc1ccc(F)cc1F	733363286	VFKBVYVVWMGEBL-UHFFFAOYSA-N	320.339	3.757	50	20	DHGD	
CC[C@@H](CC(=O)NNc1ccc(Cl)nc1)c1ccccc1	743815645	HPCKWNMDVYWONZ-LBPRGKRZSA-N	303.793	3.762	50	20	DHGD	
O=C(NNc1ccccc1Cl)N[C@@H]1CC[C@H]2CCC[C@H]2C1	745875236	MEUSNOLJWQEWIF-FRRDWIJNSA-N	307.825	3.935	50	20	DHGD	
O=C(NCCC1CC1)NN(Cc1ccccc1)c1ccccc1	745899836	WVZWLPORNXKBNY-UHFFFAOYSA-N	309.413	3.708	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1cccc(N(C)C)c1	748244691	PGAPSVYESDMNDZ-ZDUSSCGKSA-N	301.434	3.685	50	20	DHGD	
C[C@H]1CC(C)(C)CCC1=NNC(=O)c1cccc([N+](=O)[O-])c1	748246049	IGLIRQUDDXGPFC-NSHDSACASA-N	303.362	3.527	50	20	DHGD	
CCCN(CCC)CCCC(=O)NNc1cc(C)cc(C)c1	748381480	ZRCWQYXMIBVHJD-UHFFFAOYSA-N	305.466	3.649	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)C1(Cc2ccccc2)CCC1	748560723	DAPOSZYTJCUSKV-UHFFFAOYSA-N	312.388	3.990	50	20	DHGD	
Cc1c(NNC(=O)C[C@@H]2CCC[C@@H](C)C2)cccc1[N+](=O)[O-]	748669875	JWFZSRASDBXZOW-DGCLKSJQSA-N	305.378	3.563	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C[C@@H]1CCOc2ccccc21	752163645	AAVBAPXLHKKEBS-AWEZNQCLSA-N	309.369	3.669	50	20	DHGD	
Cc1ccnc(NNC(=O)C[C@H]2C[C@@H](C)c3c(C)cccc32)c1	754264832	ZYGOWAVCGXQRLP-HUUCEWRRSA-N	309.413	3.823	50	20	DHGD	
C[C@@H]1CCCC[C@H]1NC(=O)/C(C#N)=C/c1cc(F)cc(F)c1	755403907	IRFQBEGONNXKNO-DGSQGLOHSA-N	304.340	3.567	50	20	DHGD	
Cc1oc2ccccc2c1C=NNC(=O)Cc1ccccc1F	758108847	DZFXVTHYHZLAEG-UHFFFAOYSA-N	310.328	3.573	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cc(F)ccc2C#N)cc1	759350064	ZMCPERVGTRHACO-LZYBPNLTSA-N	320.323	3.656	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)N(CC)CCC2CC2)cc1	760988714	QRZNNOSRIQVDQQ-GHRIWEEISA-N	312.413	3.641	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cnc3cccc(C)n23)cc1	764919719	GQTPFGDSWXOKDT-MHWRWJLKSA-N	301.349	3.741	50	20	DHGD	
Cc1cccc2c1CCN(C(=O)[C@H](Br)C(C)(C)C)C2	767966892	XZQXEQHPGADWRI-AWEZNQCLSA-N	324.262	3.689	50	20	DHGD	
C[C@H]1CCC[C@H]1CC(=O)NNc1ccc(C(F)(F)F)cc1	769607128	ZYCLOLQTJWKTEL-QWRGUYRKSA-N	300.324	3.975	50	20	DHGD	
COc1cccc(NC(=O)[C@@H](Br)C(C)(C)C)c1F	771515604	LYRHRESCIAANAZ-LLVKDONJSA-N	318.186	3.582	50	20	DHGD	
COC(=O)c1coc(/C=C(/C#N)C(=O)c2cc3ccccc3o2)c1	774119894	OYKZSNYKKCHVET-SDQBBNPISA-N	321.288	3.602	50	20	DHGD	
CSc1ccc(C)c(NC(=O)NNc2ccc(C#N)cc2)c1	775715386	RULHDVVLVDCJBI-UHFFFAOYSA-N	312.398	3.737	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)C1CCSCC1)c1ccccc1	777437610	RWBYEKLPGTZHAP-MRXNPFEDSA-N	304.459	3.816	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nc(-c3ccccc3)no2)cc1C	778238021	ZPPKLGAOWXLZKB-UHFFFAOYSA-N	323.356	3.502	50	20	DHGD	
Cc1cc(CNC(=O)[C@@H](Br)C(C)(C)C)ccc1F	781069820	FWGFWVHKLLMFLL-GFCCVEGCSA-N	316.214	3.560	50	20	DHGD	
COc1ccc2nc(/C=C(\C#N)C(=O)CC(C)C)sc2c1	788691486	XIYPLCXQHPVJPH-YRNVUSSQSA-N	300.383	3.827	50	20	DHGD	
O=C(NN=C1CCC12CCCC2)c1cc2ccccc2cc1O	788697638	FXHGMBAEBOBDLE-UHFFFAOYSA-N	308.381	3.985	50	20	DHGD	
O=C(NCC1CC1)NN=CCCc1c(Cl)cccc1Cl	790159147	BDKZGTMTDLJBEJ-UHFFFAOYSA-N	314.216	3.621	50	20	DHGD	
COc1cc(NNC(=O)c2cc(C)cc(F)c2)ccc1Cl	790172136	QFOZRLYKECJAJU-UHFFFAOYSA-N	308.740	3.553	50	20	DHGD	
CC(C)(C)n1cc(/C=C(/C#N)c2ccc3ccccc3n2)nn1	790218067	FDIPTWYOFIPMIB-UVTDQMKNSA-N	303.369	3.645	50	20	DHGD	
CSSCCNC(=O)[C@H](C)CSc1ccc(F)cc1	791097665	PFYIOOVTGMDVFK-SNVBAGLBSA-N	319.492	3.681	50	20	DHGD	
CSSCCNC(=O)c1cnc(-c2ccccc2)s1	791100653	USKHFAWFLALLOL-UHFFFAOYSA-N	310.469	3.551	50	20	DHGD	
CSSCCNC(=O)c1ccnc(Oc2ccccc2)c1	791150408	KGSRTWYYBLBFQL-UHFFFAOYSA-N	320.439	3.615	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](c1cccc(Cl)c1)C(C)C	791213871	DKBFGDCUMHSXLX-OAHLLOKOSA-N	317.820	3.926	50	20	DHGD	
CC(=NNC(=O)c1cccc(C)n1)c1ccc(C(F)(F)F)cc1	794568102	OKIFIYJVHDQBJX-UHFFFAOYSA-N	321.302	3.563	50	20	DHGD	
COc1ccc(/C=C(/C#N)c2ccccn2)c(Br)c1	794686514	BZWWOYIUESDXCO-WQLSENKSSA-N	315.170	3.917	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)C(C)(C)C)c(Br)c1	794688753	NNTMTDPYLUPMRL-XFFZJAGNSA-N	322.202	3.980	50	20	DHGD	
Cc1ncsc1/C=C(/C#N)C(=O)c1ccc2ncccc2c1	794964553	DOSIBIQLZOMYPP-ZSOIEALJSA-N	305.362	3.790	50	20	DHGD	
C=C(CBr)COC(=O)C1(Cc2ccccc2)CCC1	795550710	IJUWWEVLRVQIGE-UHFFFAOYSA-N	323.230	3.894	50	20	DHGD	
N#C/C(=C/c1ccc(OCC(F)F)cc1)C(=O)c1ccoc1	798230513	QWGYFPHOFGDTFB-QPEQYQDCSA-N	303.264	3.713	50	20	DHGD	
CC(C)CCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CC1	802703718	JGSVDEWATDLRFS-UHFFFAOYSA-N	303.362	3.527	50	20	DHGD	
O=C(NNc1ccccc1F)Nc1cccc([N+](=O)[O-])c1Cl	809918786	OEYPVURZMRUFKD-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CCC(C)(C)N[C@@H](C)C(=O)NNc1c(C)cccc1C(C)C	812763054	NUMKEWSRSYLBLZ-AWEZNQCLSA-N	305.466	3.728	50	20	DHGD	
O=C(CC1CC1)NN=Cc1c[nH]c2cc(Cl)cc(Cl)c12	814988826	XWELVQLRFCLKCT-UHFFFAOYSA-N	310.184	3.725	50	20	DHGD	
COc1ccc(NC(=O)NN=C(C)CCCC(F)(F)F)cc1	814996848	CDXICJQUBWFWPR-UHFFFAOYSA-N	317.311	3.925	50	20	DHGD	
CCc1ccc(C#CC(=O)NNc2c(F)cccc2Cl)cc1	816163055	AKHYUQXTZKDNPX-UHFFFAOYSA-N	316.763	3.536	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1ncccc1Cl	816472863	UWLFJSSTBHRWRI-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
CCOc1ccc(NNC(=O)c2ccc(C(C)(F)F)cc2)cc1	817921394	VKQYCSJEBYUMPQ-UHFFFAOYSA-N	320.339	3.954	50	20	DHGD	
CSSCCNC(=O)Nc1ccccc1C(C)(F)F	836726861	DDAIQKAZLWNWGS-UHFFFAOYSA-N	306.403	3.931	50	20	DHGD	
CC(C)O[C@H]1C[C@@H](NCc2ccc(OCCCCl)cc2)C1	839148066	WFMVCTRVGDABSM-WOVMCDHWSA-N	311.853	3.740	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)C(C)(C)F)ccc1OC(C)C	840736679	YZFPZHZABUEJNU-MDWZMJQESA-N	305.349	3.707	50	20	DHGD	
CCCC(C)(C)C(=O)NNC(=O)c1c(Cl)cccc1Cl	844369727	ATJXXBLZJFISLN-UHFFFAOYSA-N	317.216	3.581	50	20	DHGD	
CCC(CC)n1nc(C)cc1C(=O)NNc1cc(F)ccc1C	855369748	YEXHPORREJUGQQ-UHFFFAOYSA-N	318.396	3.757	50	20	DHGD	
Cc1cccc(C2(C(=O)NNc3ccc(Cl)cn3)CCC2)c1	856095915	VZFWJBWSWXWUPS-UHFFFAOYSA-N	315.804	3.608	50	20	DHGD	
COc1ccc(CNC[C@]2(C)C[C@H]2Br)cc1Cl	856806516	FXEYESKHSZMTHA-OLZOCXBDSA-N	318.642	3.612	50	20	DHGD	
Cc1cccc2c(C(=O)NC[C@]3(C)C[C@H]3Br)coc12	857386169	RGDJGJYUGOVPOG-DOMZBBRYSA-N	322.202	3.645	50	20	DHGD	
CCN(C[C@@H](CBr)C1CC1)[C@@H]1CCOC(C)(C)C1	859307003	IBMIIZDWMYOMLV-ZIAGYGMSSA-N	318.299	3.687	50	20	DHGD	
CC(C)(C#N)CC(=O)NNc1ccc(OCc2ccccc2)cc1	862517351	MSRPKASHTDOKRS-UHFFFAOYSA-N	323.396	3.649	50	20	DHGD	
Cc1cccc(NNC(=O)CCCCCc2cccs2)n1	862522840	JADOSFJRUORUON-UHFFFAOYSA-N	303.431	3.698	50	20	DHGD	
CN(N=Cc1ccccc1OCC(F)F)C(=O)OC(C)(C)C	884420297	PCIIOESPSHHFBI-UHFFFAOYSA-N	314.332	3.531	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1nc(-c2ccccc2C)cs1	915184947	AOZFOEDYVKYVFM-XFXZXTDPSA-N	313.382	3.501	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)OC/C=C/Cl)c(C)n1CC(C)C	916614576	SMAGVOLXIVZFBN-NZXGZCDDSA-N	320.820	3.964	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2CCO[C@@H](C(C)C)C2)c(C)c1	935022720	XXCGRVTTWWLBJI-HZPDHXFCSA-N	304.434	3.506	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C\c1cccn1C1CC1	1118008224	ZWLLRYSIYJHFCA-PTNGSMBKSA-N	305.381	3.986	50	20	DHGD	
CCc1ccc(C(=O)NNc2cc(F)c(F)c(F)c2)cc1CC	1319931619	AXLUSWXYBYHHMQ-UHFFFAOYSA-N	322.330	3.986	50	20	DHGD	
Cc1sc2nc(/C(C#N)=C/c3cccs3)[nH]c(=O)c2c1C	5071202	GTOIDQYBTCEJLX-UXBLZVDNSA-N	313.407	3.727	50	20	DHGD	
N#C/C(=C/c1ccc2c(c1)CCO2)C(=O)c1c[nH]c2ccccc12	54802180	MQYVYHZTZBQRGI-GDNBJRDFSA-N	314.344	3.893	50	20	DHGD	
Cc1cccc(NNC(=O)c2occc2COc2ccccc2)c1	75477721	GDMNQVZSEMYFJZ-UHFFFAOYSA-N	322.364	3.924	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)NNc2cccc3c2CCCC3)c1	120468450	GSDXWRFIFLQBJY-CQSZACIVSA-N	324.424	3.821	50	20	DHGD	
C[C@@H](CC1CCCC1)C(=O)NNc1ccc(C(F)(F)F)cn1	132278416	RQUKZRXKXHSMHT-JTQLQIEISA-N	315.339	3.760	50	20	DHGD	
O=C(NNc1ccccc1F)[C@H]1C[C@@]12CCCc1ccccc12	152998310	CMCSDWXYEGTXBL-DNVCBOLYSA-N	310.372	3.563	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1cnc(-c2ccco2)s1	171525441	VOJBCKGVPLRDRB-UHFFFAOYSA-N	319.773	3.813	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)c1cccc(C(F)F)c1	171557975	FTLPFTNVGKQPMT-UHFFFAOYSA-N	323.251	3.760	50	20	DHGD	
N#C/C(=C\c1coc2ccccc12)c1nnc2n1CCCCC2	178981623	JBHIMXUOORHYLO-JLHYYAGUSA-N	304.353	3.815	50	20	DHGD	
COc1cc(C(=O)NNc2ccccc2Cl)ccc1Cl	179486007	NVDUWGOIPQBAAI-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1ccc(N(C)CCC#N)cc1	255203664	MZSXFXYJDMLOGK-GHRIWEEISA-N	309.413	3.949	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc2c(c1)CCCC2=O	293628743	NBSGWRNYFDKBEG-UHFFFAOYSA-N	322.408	3.833	50	20	DHGD	
CC(C)CC[C@@H]1CCC[C@@H]1NC(=O)NNc1cccc(C#N)c1	727945895	VXODDCOQCPNXNS-RDJZCZTQSA-N	314.433	3.789	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)OCC2CC2)c1C	728764164	JLKCZUWZUURAMU-YVLHZVERSA-N	300.402	3.765	50	20	DHGD	
C/C(C=NNC(=O)c1ccc(O)c(Cl)c1)=C\c1ccccc1	734093497	JERBGEMLBWGKOG-SHCGZINLSA-N	314.772	3.865	50	20	DHGD	
Cc1cccc([C@H](C)NC(=O)NNc2ccc(Cl)nc2)c1C	745828729	TZVPXRXAPDEVKV-LBPRGKRZSA-N	318.808	3.739	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)[C@H](C)c1ccccc1	746368660	HYKQUEXWGMJMRX-NSHDSACASA-N	301.777	3.644	50	20	DHGD	
CC(=NNC(=O)COc1ccc(F)cc1)[C@@H](C)c1ccccc1	746370153	GPJCOXHIJLTSFN-CYBMUJFWSA-N	314.360	3.500	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)cc1)c1c[nH]c2ccccc12	747742814	AZLSARUEKCUNHS-XVYPUBKXSA-N	307.328	3.736	50	20	DHGD	
Cc1ccc(NC(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])cc1	747831538	QOWBWFNNINMFER-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
CC[C@H](Oc1ccccc1C)C(=O)NNc1c(F)cccc1F	749537799	HPIYFLULUZLOIN-AWEZNQCLSA-N	320.339	3.574	50	20	DHGD	
O=C(CCCc1ccccc1)NNC(=O)CC1CCCCCC1	749971755	LJBUOYXJPYPJNR-UHFFFAOYSA-N	316.445	3.517	50	20	DHGD	
Cc1ccc2c(c1)CCN2C(=O)/C(C#N)=C\c1ccc(F)cc1	752753214	FWCBEZWLGXEOIK-WJDWOHSUSA-N	306.340	3.630	50	20	DHGD	
CCc1cc(Br)ccc1NNC(=O)C=C1CCCC1	753175912	FRXRVODCEXVVMF-UHFFFAOYSA-N	323.234	3.955	50	20	DHGD	
Cc1c(NNC(=O)[C@@H]2CCCC(C)(C)C2)cccc1[N+](=O)[O-]	756013388	WLEMFQHMLNUDCX-GFCCVEGCSA-N	305.378	3.563	50	20	DHGD	
CC(C)c1ncc(C=NNC(=O)C(C)(C)c2ccccc2)s1	758370342	NKJFRGIXPZGGMC-UHFFFAOYSA-N	315.442	3.694	50	20	DHGD	
Cc1cc([C@@H](NC(=O)NNc2ccccc2)C2CC2)ccc1F	759698949	WDUCWYRGHIOSNW-KRWDZBQOSA-N	313.376	3.912	50	20	DHGD	
O=C(NN=Cc1cnc(C2CC2)s1)c1cc2ccccc2o1	761819545	ZAPDDWJDGBBSHB-UHFFFAOYSA-N	311.366	3.531	50	20	DHGD	
CCC(CC)[C@H](C)C(=O)NNc1nc(C(F)(F)F)cs1	762261798	UZXZZXFVRNMUJQ-ZETCQYMHSA-N	309.357	3.677	50	20	DHGD	
CCC1(C(=O)NNc2cc(F)c(F)c(F)c2)CCCCC1	764267181	AYHCZELZAROTBJ-UHFFFAOYSA-N	300.324	3.908	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2ccc(F)cc2)c(C)c1	764715398	CCGTZBBQOIHVEJ-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
C[C@@H](CCCc1ccccc1)C(=O)NNc1ccc(F)cc1	775648986	INECJNWNHHZIEA-AWEZNQCLSA-N	300.377	3.928	50	20	DHGD	
Cc1cccc(Cl)c1NC(=O)NNc1ccccc1[N+](=O)[O-]	775793950	XODPFSBONIPSEX-UHFFFAOYSA-N	320.736	3.705	50	20	DHGD	
Cc1cc(C=NNC(=O)c2ccc(O)c(Cl)c2)ccc1Cl	779772264	OMIDGPQPUYLJJY-UHFFFAOYSA-N	323.179	3.771	50	20	DHGD	
Cc1ccc(C(F)(F)C(=O)NNc2c(F)cccc2F)cc1	780529828	JHMRYOUFVNPQQB-UHFFFAOYSA-N	312.266	3.508	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)O[C@H](C#N)C2CCCCC2)c1	782449602	VWJKEBZCSIAVND-GANRHZMWSA-N	324.380	3.618	50	20	DHGD	
CCCc1cccc(C(C)C)c1NC(=O)NNc1cnccn1	788312401	YVRMOAWLAXVMLI-UHFFFAOYSA-N	313.405	3.701	50	20	DHGD	
C=C(CBr)CN(CCC(F)(F)F)CC1CC1	791473433	VOESLSPZRQYDOF-UHFFFAOYSA-N	300.162	3.602	50	20	DHGD	
O=C(NN=C1CCC2(CC1)CC2)c1cc(-c2cccs2)[nH]n1	792635517	QSSVTDVHASRUAS-UHFFFAOYSA-N	314.414	3.578	50	20	DHGD	
CCc1cccc2c(/C=C(/C#N)C(=O)[C@H]3CCCOC3)c[nH]c12	794883700	MIIUFJBGEGAPCI-BUYRESAOSA-N	308.381	3.633	50	20	DHGD	
Cc1ccccc1NC(=O)NNC(=O)CCCCCC(C)C	798311760	GEWMJMYYWNYHMM-UHFFFAOYSA-N	305.422	3.754	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1c(F)ccc(F)c1F	799755155	UFYNHMPEVFHOJD-UHFFFAOYSA-N	308.303	3.732	50	20	DHGD	
O=C(NNc1ccc2ccccc2n1)c1sccc1Cl	803039127	DRUCGBCXZLVBQX-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(F)n1)Cc1ccc(Cl)cc1	804772841	BDCWPSDBKTZZDE-LLVKDONJSA-N	321.783	3.586	50	20	DHGD	
C[C@H]1C[C@@H](C)C[C@H](C(=O)NNc2ccc(C(=O)O)c(Cl)c2)C1	833595115	SOSCRGJCGGQBPV-URLYPYJESA-N	324.808	3.554	50	20	DHGD	
CCOc1ccc(C[C@@H](C)C(=O)NNc2cccc(F)c2)cc1	839708518	JTHPBJDWYNSPOI-CYBMUJFWSA-N	316.376	3.546	50	20	DHGD	
COCC1(C(=O)NNc2ccccc2Cc2ccccc2)CCC1	846461710	NCRZHCNVUVKRKU-UHFFFAOYSA-N	324.424	3.537	50	20	DHGD	
CC(CC(C)(C)C#N)=NNC(=O)[C@H](C)Oc1cccc(C)c1C	853274454	PULUEDVWCQBWHZ-HNNXBMFYSA-N	315.417	3.503	50	20	DHGD	
CCC/C(C)=C\C(=O)NNc1cc(C#N)ccc1Br	855616620	JFWHXKVZJCVJAN-YFHOEESVSA-N	322.206	3.510	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Br)C1CC=CC1	856232911	QBECZXOTRZBUQG-UHFFFAOYSA-N	315.598	3.512	50	20	DHGD	
Cc1cc(C)nc(NNC(=O)CC2CCC(C(C)(C)C)CC2)n1	857435844	LQFCHJIDXGAADJ-UHFFFAOYSA-N	318.465	3.779	50	20	DHGD	
Cc1ccc([C@@H](C)C(=O)OC[C@@H](CBr)C2CC2)o1	859577655	YXGCRMHORPCEFV-ZYHUDNBSSA-N	315.207	3.656	50	20	DHGD	
CCOc1ccc(NNC(=O)[C@H](C)Cc2ccccc2C)cc1	861831337	UMRBVYMXRUTXOE-OAHLLOKOSA-N	312.413	3.716	50	20	DHGD	
O=C1OCC[C@@H]1NCc1cccc(S(F)(F)(F)(F)F)c1	895812332	PQDOCLIGJBYNTI-JTQLQIEISA-N	317.279	3.749	50	20	DHGD	
CC(=NNC(=O)C12CC3CC(CC(C3)C1)C2)c1cccc(F)c1	916309591	FGFIBZKNJIJORP-UHFFFAOYSA-N	314.404	3.882	50	20	DHGD	
Cc1cc(OC(=O)/C=C/c2ccccc2F)ccc1[N+](=O)[O-]	917367980	GHIFURDUDLSSIS-RMKNXTFCSA-N	301.273	3.661	50	20	DHGD	
CCc1nc(C)c(C(=O)NNc2ccc(Cl)cc2C)s1	928340554	UURXZXQFOCRPGI-UHFFFAOYSA-N	309.822	3.733	50	20	DHGD	
COc1ccc(NC(=O)NN=CCCc2ccc(F)cc2)cc1	1117704096	BHKPPAXJGQLYJJ-UHFFFAOYSA-N	315.348	3.574	50	20	DHGD	
C[C@H]1COC2(CCCC2)CN1C(=O)c1cccc(CCl)c1	1120755697	DFQKSHRKVUFAQE-ZDUSSCGKSA-N	307.821	3.599	50	20	DHGD	
CCOc1ccc(CN(C)C(=O)C2CCC(Cl)CC2)cc1	1123477572	ZWVHQSYJYOCSPG-UHFFFAOYSA-N	309.837	3.841	50	20	DHGD	
CCc1ccc(C(=O)NNC(=O)[C@@H](C)CC2CCCCC2)cc1	1318480910	YABWOYHQQFQLLC-AWEZNQCLSA-N	316.445	3.617	50	20	DHGD	
O=C(N[C@@H](C1CC1)[C@@H]1CCCCO1)c1cccc(CCl)c1	1337333766	JNICAABDXMCONN-HOTGVXAUSA-N	307.821	3.503	50	20	DHGD	
CCCCCC[C@@H](CC)C(=O)NNc1ccccc1C(=O)O	1605264573	BNDBQOWUZXVUEO-CYBMUJFWSA-N	306.406	3.825	50	20	DHGD	
Cc1c(NNC(=O)CCC2CCCCCC2)cccc1C(=O)O	1607553594	WQTPIAFRCXFUPW-UHFFFAOYSA-N	318.417	3.887	50	20	DHGD	
C[C@@H]1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC(C)(C)C1	1776044830	URPMNIYVGPNIOX-LLVKDONJSA-N	317.389	3.709	50	20	DHGD	
CCOC(=O)c1c(C)[nH]c(/C=C(\C#N)C(=O)c2ccccc2)c1C	8220434	NZYOJXPKYUZUNC-XNTDXEJSSA-N	322.364	3.598	50	20	DHGD	
O=C(NNc1cccc([N+](=O)[O-])c1)Nc1ccc(Cl)cc1F	91985170	ZNODNDYVDOJKAA-UHFFFAOYSA-N	324.699	3.536	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cc(OC)c(OC)c(OC)c1	101800233	YMUWDTHNSLNJMB-ZSOIEALJSA-N	317.385	3.625	50	20	DHGD	
Cc1cc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c2ccccc2n1	113195006	HGHDDARQKCOIPF-UHFFFAOYSA-N	322.320	3.979	50	20	DHGD	
Cc1cc(C(=O)NNc2ccccc2)c(C)n1Cc1ccccc1	126857801	PNJJQARBEBMZPH-UHFFFAOYSA-N	319.408	3.910	50	20	DHGD	
COc1ccccc1[C@@H](C)CC(=O)NNc1ccccc1Cl	158191586	AYGNLUANNAODEN-LBPRGKRZSA-N	318.804	3.986	50	20	DHGD	
CCN(CC)[C@@H](C(=O)NNc1ccc(C)cc1)c1ccccc1	158902991	QPGHMNACSTXGDU-GOSISDBHSA-N	311.429	3.521	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2OC)cc1	172691369	PGMULVGGFICDIZ-GHRIWEEISA-N	319.360	3.998	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=O)C1CCC(c2ccccc2)CC1	173041322	QFVCQMWGJYBGJI-UHFFFAOYSA-N	318.417	3.516	50	20	DHGD	
CCc1nn(C)cc1/C=C(\C#N)C(=O)c1ccc(Cl)cc1F	179609740	GROVGNHMNMMUNJ-UXBLZVDNSA-N	317.751	3.565	50	20	DHGD	
O=C(NNc1ccncc1)c1ccccc1Oc1ccccc1	180483042	AXFAIHRHFXDRFD-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
CCc1c(C(=O)NNc2cc(C)cc(C)c2)cnn1C(C)(C)C	269593586	SLYOPJXNPDDQBO-UHFFFAOYSA-N	314.433	3.574	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2cccc3c2CCCC3)CCO1	272732115	AYZRJZSCPYZLME-ZBFHGGJFSA-N	316.445	3.604	50	20	DHGD	
Cc1cncc(CCC(=O)NNc2ccc(C(C)(C)C)cc2)c1	293609712	YPERGXRGHJGGAE-UHFFFAOYSA-N	311.429	3.763	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)c(C#N)c2)cc1	490781721	CPAWOJCITKPDMZ-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2nc(Cl)cs2)c1	490783689	SLTCSFKOJXONHN-UXBLZVDNSA-N	303.774	3.651	50	20	DHGD	
COC(=O)NN=C(C)c1sc(-c2ccc(Cl)cc2)nc1C	727650760	SWTRZHSNXXDOEH-UHFFFAOYSA-N	323.805	3.852	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cc2ccccc2o1	729638234	WFESBOYGGLHOBM-UHFFFAOYSA-N	317.348	3.538	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccccc1OC(F)(F)F	730945435	IVRTZRYTCDZBLP-UHFFFAOYSA-N	318.295	3.834	50	20	DHGD	
Cc1ccc(C=NNC(=O)NCc2ccc(Cl)cc2)cc1C	732926955	BOZAGIBHNSBVFG-UHFFFAOYSA-N	315.804	3.790	50	20	DHGD	
CC1CCC(CNC(=O)NNc2cc(F)c(F)cc2F)CC1	734662848	CUKKVWTUEAWCFU-UHFFFAOYSA-N	315.339	3.556	50	20	DHGD	
CCc1ccc(CCC(=O)NNc2c(F)cccc2F)cc1	735697967	UMVUDNMUEUYLIB-UHFFFAOYSA-N	304.340	3.603	50	20	DHGD	
CCCCC(COC)=NNC(=O)Cc1ccc2ccccc2c1	737430337	POXRZJVQMMYYDE-UHFFFAOYSA-N	312.413	3.691	50	20	DHGD	
Cc1cccc(C(=O)NNc2cccc(Br)c2)c1F	748031003	ZBRBPRJAHPGWOE-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)c1ccc(N)cc1C)c1ccccc1	758111869	ZWVOOLJJLXZLEJ-QGZVFWFLSA-N	309.413	3.611	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N[C@H](C)c2ccc[nH]2)c1C	760737900	IYDPXQFZOIBNEW-SWEABUAFSA-N	324.428	3.627	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc2sccc2c1	761558385	IMWPOTDKKYXXPT-UHFFFAOYSA-N	304.321	3.936	50	20	DHGD	
CC[C@H](CC1CCCC1)C(=O)NNc1ncnc2ccsc12	766671164	GYYYQFGALVJKRQ-GFCCVEGCSA-N	318.446	3.741	50	20	DHGD	
CCC(=O)NN=Cc1c(Cl)cccc1Oc1ccccc1	769566503	DYCUYNHEWGVKGZ-UHFFFAOYSA-N	302.761	3.992	50	20	DHGD	
CCN(Cc1c(F)cccc1F)C[C@@H](C)CBr	770648061	AHBWHDDNIFIXEB-JTQLQIEISA-N	306.194	3.818	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)Nc1c(F)cccc1F	771096173	SFDKUKGDJGDJSK-UHFFFAOYSA-N	315.682	3.906	50	20	DHGD	
CC(=NNC(=O)Cc1ccc2ccccc2c1)c1cnccc1C	771562244	DLWVDEPWWDMJQM-UHFFFAOYSA-N	317.392	3.626	50	20	DHGD	
CCOC(=O)/C(C#N)=C\Nc1ccc(COc2ccccc2)cc1	773146792	CLRFOXACJBMJHW-SSZFMOIBSA-N	322.364	3.648	50	20	DHGD	
C[C@H]1CC(C(=O)NNc2cc(F)c(F)c(F)c2)C[C@H](C)C1	780602520	YQBYGJJJEMWESG-RKDXNWHRSA-N	300.324	3.619	50	20	DHGD	
COc1cc(C)ccc1C(=O)NNc1cccc(C(F)(F)F)c1	780949231	YLPSLMACGWWPAH-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc(Cl)cc1[N+](=O)[O-]	793083560	CJOOVYGAKSHGAE-CQSZACIVSA-N	313.785	3.908	50	20	DHGD	
Cc1nc2ccccn2c1C(=O)NN=C1CCC[C@@H](C(C)C)C1	794469782	RQCINLZCWHKGMM-CQSZACIVSA-N	312.417	3.575	50	20	DHGD	
O=C(NNc1ccccc1)[C@@H](F)c1ccc(C(F)(F)F)cc1	801929151	GWGOFDDVHODABR-ZDUSSCGKSA-N	312.266	3.859	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C)nc2C(F)F)s1	812242373	VKVMVCXULGZYAW-WEVVVXLNSA-N	307.325	3.518	50	20	DHGD	
CC[C@H]1C[C@@H](C)CCC1=NNC(=O)CSc1ccccc1O	814970843	GEXRVHFXNOPBIF-STQMWFEESA-N	320.458	3.803	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2ccccc2OC(F)(F)F)CC1	836783159	SGQAHPYVZMRWQI-JTQLQIEISA-N	314.307	3.775	50	20	DHGD	
CC(C)(C)C[C@@H]1CCN(C(=O)/C(C#N)=C/c2ccc(O)cc2)C1	837166419	KAFXWAWYHCDNSS-BMANGOCTSA-N	312.413	3.584	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cnc(C(C)(C)C)nc1	840719925	XBCYTPCZEHDQIP-NTUHNPAUSA-N	311.410	3.934	50	20	DHGD	
Nc1ccc(CCNCc2ccc(OCCCCl)cc2)cc1	841038444	JNKJCXLQGBEBBZ-UHFFFAOYSA-N	318.848	3.609	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1cccc(F)c1F	851904800	CAOPGLFXEGAJGU-KDDOJWQBSA-N	304.178	3.789	50	20	DHGD	
Cc1cc(N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)c(C#N)cn1	853897380	FJIKCDYSEPMPMW-OAHLLOKOSA-N	317.509	3.862	50	20	DHGD	
C[C@@]1(CNCc2ccc(OC(F)F)cc2)C[C@@H]1Br	856806254	CNUDGEYPXZVMJJ-AAEUAGOBSA-N	320.177	3.551	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1F)C1(C(F)(F)F)CCC1	871270175	LYFPMVLNSIZPIH-UHFFFAOYSA-N	310.678	3.655	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)CCc1ccc(F)cc1	899893793	YNBMVJFSAFMZIC-UHFFFAOYSA-N	317.316	3.889	50	20	DHGD	
O=C(CNc1ccccc1)NN=Cc1cccc(Cl)c1Cl	915918542	CCDVNDKTGYJZDW-UHFFFAOYSA-N	322.195	3.556	50	20	DHGD	
CCC(=NNC(=O)C(C)(C)C)c1ccc(Br)cc1	915966227	CUTIZNNPMBQBIZ-UHFFFAOYSA-N	311.223	3.726	50	20	DHGD	
Cc1cc(C=NNC(=O)OC(C)(C)C)cc(C)c1OC(F)F	916267042	WBSLMGZBIFSYLE-UHFFFAOYSA-N	314.332	3.763	50	20	DHGD	
CCCC(C)=NNC(=O)c1nc(Cl)c(Cl)c(N)c1Cl	916284692	BJFFXWBOPRCHEC-UHFFFAOYSA-N	323.611	3.530	50	20	DHGD	
O=C(N[C@@H]1[C@@H]2CCc3ccccc3[C@@H]21)C1CCC(Cl)CC1	1123670080	ZSMBKYGTVAJXAV-TZZWHXFOSA-N	303.833	3.629	50	20	DHGD	
Cc1csc([C@@H]2CCN(C(=O)C3CCC(Cl)CC3)C2)n1	1263892806	CUPVHMBZZMVUNZ-OTTFEQOBSA-N	312.866	3.565	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1ccc2c(c1)CCC2	1323742761	AYCSREOHJIERNF-VCHYOVAHSA-N	320.367	3.538	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2c(F)cccc2F)cc1	118515351	PYDDTRVQAAUTRQ-LLVKDONJSA-N	304.340	3.774	50	20	DHGD	
CC(=O)c1ccc(NC(=O)NNc2ccccc2Cl)cc1	121694124	CXDPHKPGXXLRFS-UHFFFAOYSA-N	303.749	3.691	50	20	DHGD	
Cc1c(NC(=O)NNc2ccncc2)cccc1C(F)(F)F	122201684	BZTMVYRADASUMU-UHFFFAOYSA-N	310.279	3.557	50	20	DHGD	
O=C(CCCOc1ccccc1Cl)NNc1ccccc1F	152985267	GYTKTZJZTACCBX-UHFFFAOYSA-N	322.767	3.781	50	20	DHGD	
C/C(=C/C(=O)NNc1ccncc1Cl)c1ccccc1Cl	154712355	SVEZNKIEOYANQR-NTMALXAHSA-N	322.195	3.935	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cc(F)ccc1F)C1CCCCC1	171982362	PROZZHHXAJHGKO-UKTHLTGXSA-N	304.340	3.663	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)Nc1nc(C2CC2)cs1	182335926	QVGGWAJSIWDXQH-KPKJPENVSA-N	313.357	3.705	50	20	DHGD	
CC1(C(=O)NNc2cccc(C(F)(F)F)n2)CCCCCC1	183214237	XQILYOBQJKZLER-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
N#Cc1ccc(NNC(=O)Cc2cccc(Cl)c2Cl)cc1	194387420	ZXDNYISDYUFJNL-UHFFFAOYSA-N	320.179	3.551	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1ccc(-c2ccccc2OC)cc1	255294724	CUVVNCBNYPNKAU-FOWTUZBSSA-N	307.349	3.832	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C[C@@H]1c1ccc2ccccc2c1	294672563	MGIFHOROUWQQKW-ZIAGYGMSSA-N	308.208	3.863	50	20	DHGD	
CCCCCC[C@H]1CCCC1=NNC(=O)c1sc(N)nc1C	728157518	YJEHTEFUOPMDJY-LBPRGKRZSA-N	322.478	3.890	50	20	DHGD	
O=C(NN=Cc1c(Cl)cccc1OC(F)F)c1ccccc1	732923830	JZDGZLWELBWNAR-UHFFFAOYSA-N	324.714	3.705	50	20	DHGD	
CC(C)NC(=O)NN=Cc1ccc(F)c(-c2cccs2)c1	745006427	VVGVXSWDHHJFFT-UHFFFAOYSA-N	305.378	3.596	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccc(C(F)(F)F)cc2)C1	747588674	PHUSMWGGZSNDQX-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
Cc1cc(F)cc(C(=O)NNc2cccc(Br)c2)c1	748018363	SWMANIHXCADYQG-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CCCCn1c(C)cc(/C=C(/C#N)C(=O)N2CCC[C@H]2C)c1C	751992129	NFGPAQKXKPMKKK-IIMQCXAKSA-N	313.445	3.823	50	20	DHGD	
CCSc1ccc(CC(=O)NNc2cccc(F)c2)cc1	752142996	VRCDAFNXSNCIKO-UHFFFAOYSA-N	304.390	3.624	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1cc(F)ccc1O	752811492	NRTSDIFLRBPQEI-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CCCCC=NNC(=O)NCc1cccc(C(F)(F)F)c1	755674577	WFKLRWQCZLRXGQ-UHFFFAOYSA-N	301.312	3.681	50	20	DHGD	
CN(N=Cc1ccccc1Oc1ccc(F)cc1Cl)C(N)=O	763405959	IQOWXVUQTFGXQR-UHFFFAOYSA-N	321.739	3.616	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1sccc1OC)c1ccccc1	769778928	GPYCWUOQMRYMEC-AWEZNQCLSA-N	316.426	3.791	50	20	DHGD	
C[C@@H](Cc1ccc(F)cc1)C(=O)NNc1c(F)cccc1Cl	770203895	XEHNFKSROKEBKC-JTQLQIEISA-N	324.758	3.940	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cc2cc(F)ccc2[nH]1	771675303	WVAYQJCPZONJPL-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)N1CCCC2(CCCC2)C1	783849481	ZJMMZHVWQUGLCL-FOWTUZBSSA-N	312.388	3.915	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)Sc1ccccc1Cl	791213431	JXNWUWOAMKTGGO-LLVKDONJSA-N	321.833	3.667	50	20	DHGD	
C=C(CBr)CN(Cc1ccccc1)C[C@@H]1CCCO1	791445853	TWARFQHBDVIQME-INIZCTEOSA-N	324.262	3.619	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc2nc[nH]c12	791739216	ICWIRBFBBVCYEB-UHFFFAOYSA-N	321.167	3.627	50	20	DHGD	
Cc1nc(CC(=O)NN=C2CCC[C@H](CC(C)C)C2)cs1	794471463	SDPLFLBMXGFMQC-CYBMUJFWSA-N	307.463	3.703	50	20	DHGD	
CCOc1cc(/C=C(/C#N)C(=O)c2ccoc2)cc(Cl)c1O	798229442	BNDKVJLHIIWHKW-XGICHPGQSA-N	317.728	3.827	50	20	DHGD	
N#C/C(=C/c1ccc(Br)cc1F)C(=O)c1ccoc1	798230100	LDTABYSPLRZRIF-WZUFQYTHSA-N	320.117	3.971	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)Nc1ccccc1	801990210	ZPAFUAJWWHIXNR-OAHLLOKOSA-N	317.433	3.836	50	20	DHGD	
Cc1nc(CCNCc2ccc(OCCCCl)cc2)cs1	811473771	LNEHWSKBELHDCL-UHFFFAOYSA-N	324.877	3.792	50	20	DHGD	
C[C@H](C(=O)NNc1c(Cl)cc(F)cc1Cl)C(C)(F)F	815903699	BKZOYAHBNYPKQX-RXMQYKEDSA-N	315.122	3.867	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N(CC(C)C)[C@@H](C)c1ccccc1C	819744961	KHUZJEKBMUVUPY-YKBBIGDRSA-N	314.429	3.985	50	20	DHGD	
CCC[C@H]1CCC[C@H]1C(=O)NNc1cccc(C(F)(F)F)n1	825997710	MHRGSLGZHUSVKL-WDEREUQCSA-N	315.339	3.760	50	20	DHGD	
CC(C)c1c(Cl)ncnc1NNC(=O)C1(C)CCCCC1	840545090	ASWLEWJQOYJPBC-UHFFFAOYSA-N	310.829	3.667	50	20	DHGD	
C[C@@H]1OCC[C@@H]1C(=O)NN=C1CC[C@@H](c2cccc(Cl)c2)C1	842550158	WCMQRSFBXOTJEG-GHJWDPDVSA-N	320.820	3.505	50	20	DHGD	
CO[C@H](C(=O)NNc1ccccc1Oc1ccccc1)C(C)C	846461738	NOVNVGJLVJRODQ-KRWDZBQOSA-N	314.385	3.593	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2cccc3c2OC(C)(C)C3)c1	847601634	ZPQUJSHIQGCCHA-UHFFFAOYSA-N	314.360	3.605	50	20	DHGD	
O=C(NNc1cccc(C(F)(F)F)n1)c1cccc(C2CC2)c1	848371256	KGPCBHBTDVKSLP-UHFFFAOYSA-N	321.302	3.735	50	20	DHGD	
Cn1cnc(CN2CCCC[C@H]2CO[Si](C)(C)C(C)(C)C)c1	852208346	FLCZANMWDXJXLN-INIZCTEOSA-N	323.557	3.796	50	20	DHGD	
Cc1ccc(NNC(=O)N[C@@H](c2cccs2)C2CC2)cc1F	853265708	FCUOYEQNYXOCAB-OAHLLOKOSA-N	319.405	3.973	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1ccc2c(c1)NC(=O)CC2	853690453	GQEDJKPPWFMICG-UHFFFAOYSA-N	321.493	3.972	50	20	DHGD	
Cc1ccsc1CCCC(=O)NNc1ccnc(Cl)c1	855465056	FGHWLKVYCGDFOQ-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
C[C@H]1CCc2c(C(=O)NNc3ccc(Cl)cn3)csc2C1	856095063	DTSUMJOAFXGPOD-VIFPVBQESA-N	321.833	3.678	50	20	DHGD	
CC[C@H](C)C(=O)NNc1ccc(Cl)c(Br)c1	887211275	FLEAQTOKMMHVRQ-ZETCQYMHSA-N	305.603	3.592	50	20	DHGD	
C[C@@H]1[C@H](Cl)[C@@H]1CN[C@@H]1c2ccccc2CC12CCOCC2	894548848	LMSVIFMWDHJBNP-NKKGCODLSA-N	305.849	3.544	50	20	DHGD	
CC[C@@H](C#N)C(=O)N1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	897967984	CFTPKXNHEPJJGJ-KBPBESRZSA-N	310.514	3.549	50	20	DHGD	
CC(=NNC(=O)c1sc(-c2ccccc2)nc1C)c1ccc[nH]1	916349705	SNMDACQGDMTPPN-UHFFFAOYSA-N	324.409	3.601	50	20	DHGD	
COc1cccc(/C=C(\C#N)C(=O)c2ccccc2F)c1OC	8201714	ILONBCODRHJXLO-JLHYYAGUSA-N	311.312	3.633	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)c(OC)c1	8202473	HHXHWXCCCJVITF-NTEUORMPSA-N	311.312	3.633	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)OC2CCCCC2)cc1F	14178893	SBASHCWUOIMALR-UKTHLTGXSA-N	303.333	3.617	50	20	DHGD	
COc1cc(/C=C(/C#N)c2ccc([N+](=O)[O-])cc2)cc(OC)c1	67189529	IEPWJGVCBLKPMF-AUWJEWJLSA-N	310.309	3.676	50	20	DHGD	
N#CCc1cccc(C(=O)NNc2cccc(C(F)(F)F)c2)c1	68483244	DLJPPKWWOJVKCF-UHFFFAOYSA-N	319.286	3.528	50	20	DHGD	
O=C(NNc1ncccc1Cl)[C@@H]1C[C@H]1c1cccc(Cl)c1	114884263	PARHGOYYXRREHW-NWDGAFQWSA-N	322.195	3.635	50	20	DHGD	
Cc1cc(NNC(=O)C[C@@H]2C=CCC2)ccc1Br	114888368	ICQATKHAETUCSV-LLVKDONJSA-N	309.207	3.557	50	20	DHGD	
O=C(NNc1ccc(F)c(F)c1F)c1cc2cc(F)ccc2o1	117972543	LRJYUYSNRWEQKO-UHFFFAOYSA-N	324.233	3.746	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)[C@H](c1ccccc1)C1CC1	121700170	DQLKEKBKOVGDBZ-MRXNPFEDSA-N	300.789	3.977	50	20	DHGD	
CC[C@@H](CNC=C(C#N)C#N)Cc1cccc(Br)c1	134440062	IGVHIQIZGVIBEB-GFCCVEGCSA-N	318.218	3.538	50	20	DHGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1ccc(F)cc1	175322993	OFHCACQMPSHQQJ-VZUCSPMQSA-N	303.239	3.599	50	20	DHGD	
CC1(C)CCC[C@@H](C(=O)NNc2nc(C(F)(F)F)cs2)C1	179005021	NKEFIKKMSFHMMK-MRVPVSSYSA-N	321.368	3.821	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnc3ccc(F)cc3c2)c1	179487629	XBELHMATGUAVED-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
Cc1ccsc1C=NNC(=O)COc1ccc2ccccc2c1	254310332	UFACGUYAKWKIGG-UHFFFAOYSA-N	324.405	3.739	50	20	DHGD	
CC(=NNC(=O)OC(C)(C)C)c1ccccc1OC(F)F	254823311	DNXORSNAQUQVCY-UHFFFAOYSA-N	300.305	3.537	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCc2ccccc2C)cc1	255032486	MRPUHHAIINQSFH-PDGQHHTCSA-N	320.392	3.617	50	20	DHGD	
N#C/C(=C/c1cc(F)c(O)c(F)c1)C(=O)c1c[nH]c2ccccc12	255339658	WMHWEWFCUHMGNR-WZUFQYTHSA-N	324.286	3.942	50	20	DHGD	
N#C/C(=C\c1c(Cl)cccc1Cl)C(=O)[C@H]1CCCOC1	281245516	VLFOMKRHKKITEB-VUBLIPMDSA-N	310.180	3.896	50	20	DHGD	
CC(C)NC(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	302635429	IDEQSZVLGYMEJR-YFHOEESVSA-N	304.802	3.986	50	20	DHGD	
Cc1ccc(NC(=O)/C(C#N)=C\c2c[nH]c(C(F)(F)F)c2)cc1	490938340	DYCOKTARTGJQPZ-SDQBBNPISA-N	319.286	3.888	50	20	DHGD	
CCCN(N=C1CCO[C@H](C(F)(F)F)C1)C(=O)OC(C)(C)C	495595459	PFDXLZXOQKPCLD-NSHDSACASA-N	324.343	3.731	50	20	DHGD	
CCC(CC)CN(CC)C(=O)/C(C#N)=C/c1ccc(O)cc1	588515311	KFPAWRUOUXSNDF-LFIBNONCSA-N	300.402	3.584	50	20	DHGD	
CCC[C@H]1CCCC[C@@H]1NC(=O)NNc1cccc([N+](=O)[O-])c1	728399522	LLXXFZXMWPVKRX-WFASDCNBSA-N	320.393	3.580	50	20	DHGD	
CC(=NNC(=O)c1cccc(Cl)c1)c1ccc2c(c1)COC2	743426193	LCXDAZATYGJEMO-UHFFFAOYSA-N	314.772	3.524	50	20	DHGD	
O=C(NNc1ccc(Cl)nc1)N[C@@H](c1ccccc1)C1CC1	745406368	CZFHNTLYIHJEEX-HNNXBMFYSA-N	316.792	3.512	50	20	DHGD	
Cc1ccc(OCCCC(=O)NNc2cccc(F)c2)c(C)c1	748102209	WHPQSTXIGLYWON-UHFFFAOYSA-N	316.376	3.745	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cncc2ccccc12	748759151	KBGGLPCLUBMPKJ-UHFFFAOYSA-N	314.348	3.540	50	20	DHGD	
C[C@@H](NC(=O)NN(C)c1ccccc1)c1c(F)cccc1Cl	752022199	AVIGHPTVXNMNPK-LLVKDONJSA-N	321.783	3.891	50	20	DHGD	
COc1cc([N+](=O)[O-])ccc1OC(=O)CC1(C)CCCCC1	753130476	ZERRRDHHGSHCNM-UHFFFAOYSA-N	307.346	3.869	50	20	DHGD	
C/C=C/C=C\C(=O)NNc1ccc(Br)cc1CC	753177364	XOXPNMYHPWMILX-WZWXSLMZSA-N	309.207	3.587	50	20	DHGD	
N#C[C@H](CCc1ccccc1)C(=O)NNc1cccc(Cl)c1	764116885	SGGGOVFFQVDKNQ-AWEZNQCLSA-N	313.788	3.556	50	20	DHGD	
CCc1ccc(C(=O)NN=C(C)c2ccc(C)cc2OC)cc1	767108673	ACXIMFJHWGCMMT-UHFFFAOYSA-N	310.397	3.720	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)N[C@H]1CC12CCCCC2	768385702	UXECUBXZTRUENI-WDEREUQCSA-N	302.256	3.635	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C\c2cccc(C(=O)O)c2)c1	774126041	DBVYQIKFMOCUFO-YVLHZVERSA-N	305.333	3.792	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1cccc2c1CCCC2	775781848	MCCXUFUONRSEJZ-UHFFFAOYSA-N	316.445	3.772	50	20	DHGD	
O=C(CCCc1ccsc1)NNc1cc(F)c(F)c(F)c1	783589595	NHEFXYXWEUZDAT-UHFFFAOYSA-N	314.332	3.631	50	20	DHGD	
Cc1ccccc1OCCCOC(=O)/C(C#N)=C\c1ccccc1	785363590	DFNSVMRWCUZAOD-JXAWBTAJSA-N	321.376	3.914	50	20	DHGD	
Cn1ccc2cccc(NC(=O)NNc3c(F)cccc3F)c21	788313930	AVMHPSUGVBHVRO-UHFFFAOYSA-N	316.311	3.605	50	20	DHGD	
COc1cccc([C@@H](C)CCCC(=O)NNc2ccccn2)c1	790013614	GUOZULMYDRQOQK-AWEZNQCLSA-N	313.401	3.507	50	20	DHGD	
CSSCCNC(=O)/C=C(\C)c1cccc(Cl)c1	791099402	HEFCECXOTUVEOL-CSKARUKUSA-N	301.864	3.871	50	20	DHGD	
CCCCO[C@H](C)C(=O)NNc1cc(Cl)cc(Cl)c1	791718224	OLPKLAYMWOIMRI-SECBINFHSA-N	305.205	3.642	50	20	DHGD	
Cc1cccc(O[C@@H](C)C(=O)NN=C2CCC[C@H]2CCF)c1C	794880271	QNCPXDQNEWWXOV-GJZGRUSLSA-N	320.408	3.703	50	20	DHGD	
CC[C@H](C)C(=O)/C(C#N)=C\c1ccc(C)cc1-c1ccnn1C	801648086	NJVFALGRGCMMST-HNDQUVLASA-N	307.397	3.918	50	20	DHGD	
Cc1c(C(=O)NNC(=O)OC(C)(C)C)sc2cc(F)ccc12	806341725	RVBSPCOIPAZEPT-UHFFFAOYSA-N	324.377	3.518	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)c(C)c1OC	806569309	QBGKJANZUDBBDC-XNTDXEJSSA-N	324.336	3.985	50	20	DHGD	
CCc1nn(C)cc1NCc1ccc(OCCCCl)cc1	811487417	WKEQPRONINZXRU-UHFFFAOYSA-N	307.825	3.602	50	20	DHGD	
Cc1cccnc1NNC(=O)CCSc1cccc(Cl)c1	813534948	JYYNMRLXNMPIOL-UHFFFAOYSA-N	321.833	3.669	50	20	DHGD	
C[C@@H]1SCC[C@H]1NC(=O)NNc1ccc(C(C)(C)C)cc1	828550999	WLGWCQHHLBUJJI-SMDDNHRTSA-N	307.463	3.504	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@H]1CCCC[C@H]1C	834959918	XRABECIIEBGLIB-MFKMUULPSA-N	308.809	3.978	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2ncc(Cl)cc2Cl)CC1	845955782	QTPFOVMARSHDTF-KYZUINATSA-N	302.205	3.658	50	20	DHGD	
Cc1nocc1CN1CCC[C@H]1CO[Si](C)(C)C(C)(C)C	852209537	QXWQBHMXWDLLDJ-HNNXBMFYSA-N	310.514	3.969	50	20	DHGD	
O=C(NNc1nc2ccc(Cl)cc2s1)[C@H]1CC12CCC2	856234077	LQVYFHLXOGWIFU-SECBINFHSA-N	307.806	3.583	50	20	DHGD	
COc1ccc(NNC(=O)C(C)(C)C2CC2)c(C(F)(F)F)c1	857265062	VAMGNEJCMNKILJ-UHFFFAOYSA-N	316.323	3.593	50	20	DHGD	
Cc1ncccc1CNCc1ccc(OCCCCl)cc1	858273540	DXCVPYJFPDRZKB-UHFFFAOYSA-N	304.821	3.688	50	20	DHGD	
C[C@H](NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1)C(F)(F)F	862307665	NLXWXEYBZWTXFB-HUYFXPKMSA-N	314.351	3.569	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1cccc(F)c1Cl	862507205	VRSSNNJWUAPWRE-UHFFFAOYSA-N	314.788	3.685	50	20	DHGD	
Cc1cc(C)c(C(=O)NNc2nc(C(F)(F)F)cs2)s1	879127412	VUILWAYSZREXSU-UHFFFAOYSA-N	321.349	3.597	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)nc1)c1cccc(Cl)c1	915973874	TVLCUFFRTHJHAE-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CC(=NNC(=O)c1ccccc1O)c1ccc(Cl)c(Cl)c1	916269985	JVUMUWYUXGCMID-UHFFFAOYSA-N	323.179	3.853	50	20	DHGD	
C/C(C=NNC(=O)Cc1c[nH]c2ccccc12)=C/c1ccccc1	916338005	JWTXGAKIMVJHRA-YDYNSBIKSA-N	317.392	3.916	50	20	DHGD	
CCC(=O)NN=Cc1c(-c2ccccc2)n(C)c2ccccc12	916581074	DSBAYGLLDARDLC-UHFFFAOYSA-N	305.381	3.705	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1c[nH]nc1-c1ccc(Cl)cc1	1318440326	XGTMUARSWMJZKO-UHFFFAOYSA-N	320.780	3.589	50	20	DHGD	
COc1ccc(/C=C(\C#N)C(=O)c2ccc(F)cc2)cc1OC	8202509	CMMLKEZVQHADKK-NTEUORMPSA-N	311.312	3.633	50	20	DHGD	
C#CCCOc1ccc(/C=C(/C#N)C(=O)Nc2ccccc2)cc1	66405898	DDTPGEZOYZSOQY-VKAVYKQESA-N	316.360	3.634	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cccc(OCCOC)c1	101799987	SDWOINIEISIDTD-WJDWOHSUSA-N	301.386	3.624	50	20	DHGD	
O=C(NNc1ccnc2ccccc12)c1cc2c(s1)CCCC2	106925711	SQOWANNMBWZXKV-UHFFFAOYSA-N	323.421	3.932	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C\c1ccc(-c2cccc(F)c2)s1	131090842	BPFZYZYNFGQLAR-GHXNOFRVSA-N	320.352	3.721	50	20	DHGD	
Cc1cc2occ(CC(=O)NNc3ccccc3F)c2cc1C	153293660	REUQMYQQYKKQIR-UHFFFAOYSA-N	312.344	3.875	50	20	DHGD	
CO[C@@](C)(CBr)c1ccccc1Br	157977270	CJBRGLKHOOKAIQ-JTQLQIEISA-N	308.013	3.706	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2C[C@H]2c2cccc(F)c2F)cc1	158694506	RPGDJRQXIIAMCZ-KBPBESRZSA-N	302.324	3.520	50	20	DHGD	
Cc1ncccc1/C=C(\C#N)C(=O)c1c[nH]c2cc(F)ccc12	171419274	LNCJYASURWNFMM-NTUHNPAUSA-N	305.312	3.800	50	20	DHGD	
Cc1ncsc1C(=O)NNc1ccc(Cl)cc1Cl	178878335	OLWHVCGMUMTTPE-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
Cc1ccc(-c2ccc(/C=C(\C#N)C(N)=C(C#N)C#N)s2)cc1	194775127	RMCNTLGLMOSLRK-RIYZIHGNSA-N	316.389	3.890	50	20	DHGD	
COc1cccc(/C=C(/C#N)C(=O)Nc2c(C)cccc2C)c1	211473946	HTYXDOOIOKETOM-YBEGLDIGSA-N	306.365	3.858	50	20	DHGD	
CC(=NNC(=O)c1cccnc1)c1cccc(Cl)c1Cl	734976470	AHSLROSEVNIDAX-UHFFFAOYSA-N	308.168	3.542	50	20	DHGD	
CCOc1ccc(Cl)cc1C(C)=NNC(=O)CC(F)(F)F	735971988	GJMPKVDACQBPPR-UHFFFAOYSA-N	322.714	3.531	50	20	DHGD	
CCCCC[C@H](C)CC(=O)NNC(=O)[C@@H](CC)c1ccccc1	742661872	UQENFDZSBHNFKX-RDJZCZTQSA-N	318.461	3.934	50	20	DHGD	
CN(C)C(=O)NN=Cc1ccc(-c2ccccc2Cl)s1	745602492	RSRYONWIMYOARK-UHFFFAOYSA-N	307.806	3.674	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)C(F)(F)c1ccccc1	748584971	FJFLYXWZETUCMT-UHFFFAOYSA-N	316.351	3.801	50	20	DHGD	
CCCn1c(C)cc(/C=C(/C#N)C(=O)N[C@H](C)C2CCC2)c1C	756097509	LMPVVHMJMFBUTA-JVVDOCDTSA-N	313.445	3.727	50	20	DHGD	
CC[C@H]1CC(=NNC(=O)c2cc3c(s2)CC[C@@H](C)C3)CCO1	756823526	KCWIUHMVSXIACW-RISCZKNCSA-N	320.458	3.548	50	20	DHGD	
CCc1ccc(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)o1	760227546	XBVZMVUPIAYHEM-UHFFFAOYSA-N	300.402	3.509	50	20	DHGD	
Cc1cc(Br)ccc1NC(=O)NNc1ccccc1	762237973	PVAAXGJJYOXPOI-UHFFFAOYSA-N	320.190	3.906	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)c1cncc(C)c1	767365672	AAAMICWREDTYSI-UHFFFAOYSA-N	322.195	3.851	50	20	DHGD	
Cc1ccc(NC(=O)NNc2nccnc2C(C)C)c(Cl)c1	770076220	NQMFPNOBYRDSAR-UHFFFAOYSA-N	319.796	3.710	50	20	DHGD	
N#C/C(=C\c1occc1Br)C(=O)c1cccc(F)c1	772172225	PYEYHFZQQVBSJS-JXMROGBWSA-N	320.117	3.971	50	20	DHGD	
CSc1cc(/C(C#N)=C/C2=Cc3ccccc3OC2)ncn1	773152492	XZPPTUMAZWUWBC-VGOFMYFVSA-N	307.378	3.581	50	20	DHGD	
CCCc1cccc(C=NNC(=O)Cc2c[nH]c3ccccc23)c1	774340192	BPOCUDISQDZPHE-UHFFFAOYSA-N	319.408	3.813	50	20	DHGD	
Cc1cc(/C(C#N)=C\c2ccc(F)c(C#N)c2)ccc1[N+](=O)[O-]	774558569	LOCSXBHUSWPIJS-AUWJEWJLSA-N	307.284	3.978	50	20	DHGD	
N#CC1=CCN(C(=O)CCCc2csc3ccccc23)CC1	780684550	HDLXJWLKXYQABS-UHFFFAOYSA-N	310.422	3.906	50	20	DHGD	
CN(C(=O)[C@@H](Br)C(C)(C)C)[C@@H]1CCc2ccccc21	781068223	IVTKJQHQQVDHBQ-ZIAGYGMSSA-N	324.262	3.942	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2F)o1	786039803	HRBAQILSWAMPDN-RAXLEYEMSA-N	319.357	3.775	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1ccccc1Oc1cccnc1	786664914	AVHWPZFIVHDHOK-YBEGLDIGSA-N	320.348	3.777	50	20	DHGD	
Cc1cccnc1NNC(=O)C12CC3C[C@](C)(C1)C[C@@](C)(C3)C2	791219961	AGYRDWYGZFACIG-KOCGSPDRSA-N	313.445	3.830	50	20	DHGD	
Cc1cnn(C)c1/C=C(\C#N)c1nc2ccccc2n1C(F)F	794698354	JJMORJZJTHMOMR-YRNVUSSQSA-N	313.311	3.538	50	20	DHGD	
CCCN(N=C(C)c1ccc([N+](=O)[O-])cc1)C(=O)OC(C)(C)C	794998699	UJOVZDMBWMFQKA-UHFFFAOYSA-N	321.377	3.966	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@H]1C[C@@H]1c1ccc(F)cc1	799757407	VIUSSMCGRFZGAR-SJORKVTESA-N	312.388	3.943	50	20	DHGD	
CC(=C\c1ccccc1C(F)(F)F)/C=C(\C#N)C(=O)NC1CC1	799889335	MRNDWPCPXBURLQ-BLTLMDCKSA-N	320.314	3.837	50	20	DHGD	
CC(C)CCC(=NNC(=O)CCc1ccccc1O)C1CC1	802711543	SGBZEGINEWAYDG-UHFFFAOYSA-N	302.418	3.643	50	20	DHGD	
CC(C)(C)CCCCC(=O)NNc1nccnc1C1CCC1	805465827	DIERACJPCQBHPE-UHFFFAOYSA-N	304.438	3.794	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2ccc(F)cc2)CCCCC1	808131577	PGKAJYQHTBMFTL-UHFFFAOYSA-N	318.219	3.948	50	20	DHGD	
N#C/C(=C/c1cnccn1)c1ncc(C(F)(F)F)cc1Cl	809154712	CCLDRHXVLDNPNV-BAQGIRSFSA-N	310.666	3.608	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ncc(C(C)(C)C)s2)cc1	814745161	KUURVZYCUNOGBI-UHFFFAOYSA-N	315.442	3.767	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)N[C@@H](C)C(F)(F)F	824397305	LYMZGEYBHYPOJZ-JTQLQIEISA-N	303.328	3.695	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)c2nnc3n2CCCCC3)c(C)c1	849178167	WENUXNUBDFYPIT-FOWTUZBSSA-N	322.412	3.776	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1cc(F)ccc1C	855370322	VDGATHIZNGEEGR-UHFFFAOYSA-N	315.392	3.972	50	20	DHGD	
Cc1c(C(=O)NN[C@H](C)C(F)(F)F)oc2ccc(Cl)cc12	862305586	QPMIDWPEJWAZPA-SSDOTTSWSA-N	320.698	3.580	50	20	DHGD	
CCCOc1ccc(Cl)cc1C(=O)NNc1cccc(C)n1	862522033	GILOCLVGRCLHJF-UHFFFAOYSA-N	319.792	3.589	50	20	DHGD	
Cc1ncccc1CCNCc1ccc(OCCCCl)cc1	898253132	LMZOEMRAYYUZML-UHFFFAOYSA-N	318.848	3.730	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2ccc3ccccc3n2)c1	917512936	XCXVDCOFWDPPAB-UHFFFAOYSA-N	319.408	3.928	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2ccc(Cl)c(C)c2)CCO1	928339966	OEEVQVXFVUEEPO-GXTWGEPZSA-N	310.825	3.687	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc3c2CCC3)cc1Cl	1115887997	BWWVNDIVCGOIOX-UHFFFAOYSA-N	300.789	3.894	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)Cn1cc(C)c2ccccc21	1255097020	YTDBIYAAIZHUGL-UHFFFAOYSA-N	311.360	3.541	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1cnc(-c2ccccc2)s1	1256104991	WPSHQPAVPQMROX-ZSOIEALJSA-N	310.378	3.713	50	20	DHGD	
CCCC[C@H](CC)CC(=O)NNC(=O)c1ccccc1Cl	1318657055	JAWGSIVAHJDALK-LBPRGKRZSA-N	310.825	3.708	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(Oc2ccccc2)CC1	1350952965	CQTGPGBDTIHFCG-UHFFFAOYSA-N	321.848	3.854	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2C(=O)O)c2ccccc12	1607731672	AOERYABUWOFDRL-UHFFFAOYSA-N	320.348	3.603	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1ccc(OC(F)F)c(Cl)c1	67427941	XPVOHKPSFNKVIB-POHAHGRESA-N	313.687	3.578	50	20	DHGD	
CC(C)Oc1cccc(CC(=O)NNc2cccc(Cl)c2)c1	68848956	WUSLLTOKAUXHQI-UHFFFAOYSA-N	318.804	3.813	50	20	DHGD	
CC[C@H](CC(=O)NNc1ccc(F)cc1F)c1ccccc1	113432157	PVAVJCORVGPXPF-GFCCVEGCSA-N	304.340	3.992	50	20	DHGD	
Cc1cc(NNC(=O)c2cccs2)ccc1Br	114889185	MWHCRFYEPFNIHB-UHFFFAOYSA-N	311.204	3.576	50	20	DHGD	
COc1ccc(CCC(=O)NNc2cccc3c2CCCC3)cc1	120149415	DWZZRGDILSEJMU-UHFFFAOYSA-N	324.424	3.650	50	20	DHGD	
Cc1csc(NC(=O)NNc2ccccc2C(F)(F)F)n1	125639527	LRZAEUKVLHTBRC-UHFFFAOYSA-N	316.308	3.619	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)Cc2c(F)cccc2Cl)c1	127636658	ZGESNZPDXXBGMO-UHFFFAOYSA-N	306.768	3.782	50	20	DHGD	
CC[C@@H](C(=O)NNc1cc(C)ccc1F)c1ccc(F)cc1	127832271	JXUNXIBVZZPUOS-CQSZACIVSA-N	304.340	3.910	50	20	DHGD	
CN(C)c1cccc(C(=O)NNc2ccc(C(F)(F)F)cc2)c1	153792302	BAQSYFXPRITMTH-UHFFFAOYSA-N	323.318	3.528	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)Cc1cccc(OC(C)C)c1	160684091	GQTWLHXPBCOHCZ-UHFFFAOYSA-N	316.376	3.607	50	20	DHGD	
Cc1ccnc(NNC(=O)c2sc(C)nc2-c2ccccc2)c1	176752789	VJOSBJCMKMSUGD-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
Cc1ccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)cc1	182069268	XJAZXOVROPXKSV-RQNDZEIBSA-N	308.356	3.919	50	20	DHGD	
CC[C@@H](NC(=O)NNc1c(C)cccc1F)c1nc(C)cs1	185356957	MRRJCCVEAVKRSU-GFCCVEGCSA-N	322.409	3.676	50	20	DHGD	
CCC(CC)CC(=O)NNc1ccccc1OC(F)(F)F	190193468	IOFGOVVNUKEVOZ-UHFFFAOYSA-N	304.312	3.855	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cs1)C(=O)NCc1ccccc1	195221910	RJOOMMJINFMTKL-WUXMJOGZSA-N	302.786	3.625	50	20	DHGD	
Cc1ccc(OCC(=O)Oc2ccc([N+](=O)[O-])c(C)c2)c(C)c1	247986913	KBOLLHMFZKSMJE-UHFFFAOYSA-N	315.325	3.504	50	20	DHGD	
CCOc1cccc(C=NNC(=O)c2cccc(Cl)c2)c1	252607387	HCCRGSZIFYVUMT-UHFFFAOYSA-N	302.761	3.503	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2c(C)cnn2C)cc1	285312104	KFUPEKIDPYROPG-LFIBNONCSA-N	322.412	3.617	50	20	DHGD	
CCC[C@@](C)(CC)C(=O)NNc1ccc2c(O)nccc2c1	285609595	GJVXFWHYUAFVJO-QGZVFWFLSA-N	301.390	3.600	50	20	DHGD	
C[C@@H]1CN(S(=O)(=O)c2ccc(CCl)cc2)c2ccccc21	398601173	ZYUNUVUSBFOULO-GFCCVEGCSA-N	321.829	3.738	50	20	DHGD	
CCn1nc(/C=C(/C#N)C(=O)Nc2ccccc2)c2ccccc21	490878763	PXTJPIVIWSPXNU-OWBHPGMISA-N	316.364	3.602	50	20	DHGD	
COc1ccc(CCC(=O)NN=C2CCC(C(C)C)CC2)cc1	729637514	NAWWIXOTLOPZLS-UHFFFAOYSA-N	316.445	3.946	50	20	DHGD	
Cc1cc(C)c(C=NNC(=O)Cn2ccc3ccccc32)c(C)c1	729638379	IUTGZFMDODVJNF-UHFFFAOYSA-N	319.408	3.717	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1[nH]c2ccccc2c1Cl	733361770	AJPXMJFANHYEMA-UHFFFAOYSA-N	321.714	3.856	50	20	DHGD	
O=C(NN=C1CCCOc2c(Cl)cccc21)C1CCCC1	733747042	INIFOIGEXBQMTC-UHFFFAOYSA-N	306.793	3.523	50	20	DHGD	
C[C@@H]1CCC[C@H](C(=O)NNc2ccc(Cl)cc2[N+](=O)[O-])C1	741670337	WGMQGXPOEZNUHT-ZJUUUORDSA-N	311.769	3.518	50	20	DHGD	
C=CCNC(=O)/C(C#N)=C\c1sc2ccccc2c1Cl	744843285	FGGKAOQHIDYHNX-NTMALXAHSA-N	302.786	3.764	50	20	DHGD	
C[C@@H]1CC(C)(C)CCC1=NNC(=O)c1ccc(O)c(Cl)c1	748251725	NUZLBWAKJUEITB-SNVBAGLBSA-N	308.809	3.978	50	20	DHGD	
C=CCCCC(=O)NNC(=O)c1cc2c(s1)CCCCCC2	748287067	FWFSOISECHWNEL-UHFFFAOYSA-N	320.458	3.524	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@@H]1C[C@]12CCc1ccccc12	748302406	MDPYKVDQCCLDDS-KSSFIOAISA-N	312.800	3.687	50	20	DHGD	
O=C(CCCOc1ccccc1)NNc1cccc2c1CCCC2	748577330	FPUUTHYDPPEXHI-UHFFFAOYSA-N	324.424	3.868	50	20	DHGD	
CCCn1c(C)cc(/C=C(\C#N)C(=O)N2C[C@@H](C)[C@@H](C)C2)c1C	751960926	GHOBHUMATQVOHX-BGETUVHESA-N	313.445	3.536	50	20	DHGD	
Cc1cc(Cl)cc(C)c1C=NNC(=O)c1ccccc1F	756870445	KDBYSQCPZKPULT-UHFFFAOYSA-N	304.752	3.860	50	20	DHGD	
CCC(=O)c1cc(C(=O)NNc2ccc(Cl)cc2)ccc1F	757906860	HCUDCTDCQXQWLO-UHFFFAOYSA-N	320.751	3.829	50	20	DHGD	
N#C/C(=C\c1cncc(Br)c1)C(=O)c1ccccc1	767341236	VUYHQPJWLZRTNW-AWNIVKPZSA-N	313.154	3.634	50	20	DHGD	
Cc1[nH]c2ccccc2c1C(=O)OC[C@@H](C)CBr	770318450	OJOUQKRLLOKQJG-VIFPVBQESA-N	310.191	3.664	50	20	DHGD	
CSc1cc(/C(C#N)=C/c2ccc3c(c2)CC(C)(C)O3)ncn1	773174827	YQERAUJVQCUEBT-VGOFMYFVSA-N	323.421	3.976	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)c1nc(C)c(C)s1	774056782	VAIKIPWQYQTLPD-UHFFFAOYSA-N	306.343	3.504	50	20	DHGD	
CC(C)n1cc(NC(=O)NNc2ccc(C(C)(C)C)cc2)cn1	780585388	LLGJLNVUOPRVAR-UHFFFAOYSA-N	315.421	3.910	50	20	DHGD	
O=C(NNc1ccnc(F)c1)c1cccc(Nc2ccccc2)c1	781366590	NGBDNTMQMSAJKP-UHFFFAOYSA-N	322.343	3.721	50	20	DHGD	
CSSCCNC(=O)[C@H](C)Oc1ccc(Cl)c(C)c1	791100654	USKIYDAUXZHOQZ-JTQLQIEISA-N	319.879	3.543	50	20	DHGD	
CC(C)O[C@@H](C=NNC(=O)CC1CCCC1)c1ccccc1	792995194	JBMNUUSRYRNZDZ-KRWDZBQOSA-N	302.418	3.835	50	20	DHGD	
CO[C@@H]1CCC[C@H](CC(=O)NNc2c(C)cc(C)cc2C)C1	793706519	MOLBSGIOIZOBDK-JKSUJKDBSA-N	304.434	3.650	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(C2CC2)ccn1	794101286	LXWWAWFAWXMPEI-LBPRGKRZSA-N	311.223	3.707	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)COc1cccc(Cl)c1	799756532	DITIXUSKLCOUKJ-UHFFFAOYSA-N	318.804	3.733	50	20	DHGD	
CCC1(C(=O)NNC(=O)Nc2ccc(-c3ccccc3)cc2)CC1	802039132	YBPMZPRIGDLRFL-UHFFFAOYSA-N	323.396	3.697	50	20	DHGD	
O=C(NCC(Cl)Cl)c1cccc(OC2CCCC2)c1	808128736	DZHYOBFWDFQVNY-UHFFFAOYSA-N	302.201	3.542	50	20	DHGD	
N#C/C(=C/c1cscc1C(F)(F)F)C(=O)[C@@H]1CCCOC1	811627966	JLXOVQXUJLGCKK-BABIGQSTSA-N	315.316	3.670	50	20	DHGD	
COC1(C(=O)NNc2c(C)cccc2C(C)C)CCCCC1	812766075	GSRMCNWTNMPBLQ-UHFFFAOYSA-N	304.434	3.911	50	20	DHGD	
O=C(NN=C1CCCCC12CCCC2)c1ccc(Cl)nc1	814809742	LZAQPZWUXJMWEB-UHFFFAOYSA-N	305.809	3.955	50	20	DHGD	
N#Cc1ccc(C(=O)NN=Cc2ccc(C3CCC3)cc2)cc1	814823339	FPFZMUYTFWPJRW-UHFFFAOYSA-N	303.365	3.590	50	20	DHGD	
O=C(CC1CC1)NN=C1CC(c2ccc(Br)cc2)C1	814990211	HHMHBNZLSGUUHO-UHFFFAOYSA-N	321.218	3.599	50	20	DHGD	
C=CCC1(C(=O)NNc2cc(C#N)cc(Cl)n2)CCCCC1	827650452	YHNHULIPCWZLFL-UHFFFAOYSA-N	318.808	3.576	50	20	DHGD	
C[C@H]1SCC[C@H]1NC(=O)NNc1cccc(Cl)c1Cl	828559547	BCIZBTHKQKSJCV-VXNVDRBHSA-N	320.245	3.514	50	20	DHGD	
Cc1csc([C@H](C)C(=O)NNc2ccc(C(C)(C)C)cc2)n1	831899676	JCWUKOOSLSQQAQ-GFCCVEGCSA-N	317.458	3.996	50	20	DHGD	
CC1(C)C[C@@H](C(=O)NNc2ccccc2F)c2ccccc2O1	839709686	NHDKXURINNEHPR-CYBMUJFWSA-N	314.360	3.614	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)[C@H]1CCCS1	846463894	IRLNDCQMCUKLAF-QGZVFWFLSA-N	312.438	3.616	50	20	DHGD	
C[C@H](NC[C@]1(C)C[C@H]1Br)c1ccc(Cl)nc1	851978926	UPIIDNDOFILZTH-XRNSZHNASA-N	303.631	3.559	50	20	DHGD	
COC[C@@H](C)Oc1ccc(/C=C(\C#N)C(=O)C2CCCC2)cc1	853004334	BRJCQQGGANOZSU-SWEABUAFSA-N	313.397	3.767	50	20	DHGD	
N#CSCCCNC(=O)c1ccc(Cl)c(C(F)(F)F)c1	854361873	PVCROKYIQWAULR-UHFFFAOYSA-N	322.739	3.693	50	20	DHGD	
C[C@@H](C(=O)NN[C@H](C)C(F)(F)F)c1ccc2ccccc2c1	862311339	MOGQMIFRIZPJDF-GHMZBOCLSA-N	310.319	3.515	50	20	DHGD	
CC(C)(C)c1cc(C(=O)NNc2ccc(F)c(Cl)c2)no1	863080941	SPKOOZQGGLBARE-UHFFFAOYSA-N	311.744	3.522	50	20	DHGD	
CC(C)[C@H](C(=O)NNc1cc(Cl)ccc1F)c1cccnc1	871271318	LKAKDMKZTUMOAJ-HNNXBMFYSA-N	321.783	3.757	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1ccnc2ccccc12)C1CCCCC1	905074923	ZIJXJDRCQDELCB-DTQAZKPQSA-N	319.408	3.933	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C2CC2)C1	912582989	VGAVMOXOUCJIRU-KFWWJZLASA-N	309.526	3.655	50	20	DHGD	
O=C(NNC(=O)C1CCCC1)c1cc2c(Cl)cccc2s1	914842301	AUGMVGOGKIQKOP-UHFFFAOYSA-N	322.817	3.506	50	20	DHGD	
O=C(CCl)N[C@@H](Cc1ccc(Cl)cc1)c1ccccc1	1116433727	DCFIAFCNAVFVGQ-HNNXBMFYSA-N	308.208	3.979	50	20	DHGD	
Cc1cc(Cl)cc(C)c1NC(=O)NNc1cccc(F)n1	1258469272	YZTJWBZTELVFHR-UHFFFAOYSA-N	308.744	3.640	50	20	DHGD	
N#CCC[C@@H](NC(=O)C1CCC(Cl)CC1)c1ccccc1	1263770267	ZPBAHAJMNHIQAQ-UYSNPLJNSA-N	304.821	3.945	50	20	DHGD	
O=C(CCl)Nc1ccc(F)c(NC(=O)C2CCCCC2)c1	1324702163	RTESTFHDSSCHIS-UHFFFAOYSA-N	312.772	3.522	50	20	DHGD	
CCCCCC[C@H](C)C(=O)Oc1ccc([N+](=O)[O-])c(C(=O)O)c1	1595694684	GUQCHRZAZLOMDE-NSHDSACASA-N	323.345	3.805	50	20	DHGD	
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(CCl)cc1	88925327	CKTBGPHOTSHSOF-LBPRGKRZSA-N	321.829	3.565	50	20	DHGD	
Cc1ccc(CC(=O)NNc2ccc(C(F)(F)F)cc2)cc1	153824726	XEUMTBPLNPMANP-UHFFFAOYSA-N	308.303	3.700	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1cc2c(F)cccc2[nH]1	158421257	BJSPVJQRRMULCX-UHFFFAOYSA-N	303.724	3.717	50	20	DHGD	
COc1cc(F)cc(NNC(=O)c2cccc(C(F)F)c2)c1	177237772	SFTQGMGCWRHMDD-UHFFFAOYSA-N	310.275	3.529	50	20	DHGD	
Cc1ccc(C(C)(C)C(=O)NNc2c(C)cccc2F)cc1	184323524	GKMHOESMLFKMIH-UHFFFAOYSA-N	300.377	3.863	50	20	DHGD	
COc1ccc(-c2ccncc2)cc1/C=C(\C#N)C(=O)C(C)C	186860198	WLZFUPJDEHGQHC-GZTJUZNOSA-N	306.365	3.889	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)NCC(F)(F)C(F)F	191385828	ZBBWHDWKHJZSGN-MRVPVSSYSA-N	319.389	3.717	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)Nc2ccncc2)c(C)n1CC(C)C	221722733	VRTLNGYOKVTFQL-LICLKQGHSA-N	322.412	3.702	50	20	DHGD	
COc1ccc([C@H](C)NC(=O)/C(C#N)=C/c2cccc(F)c2)cc1	490694312	KMTIKGCRMXAQJQ-RKPNYOAGSA-N	324.355	3.619	50	20	DHGD	
CN(N=C1CCCOc2ccc(F)cc21)C(=O)OC(C)(C)C	490807967	FWMFGNQKRYFKFA-UHFFFAOYSA-N	308.353	3.569	50	20	DHGD	
N#C/C(=C/c1ccc(F)cc1)C(=O)Nc1ccc2scnc2c1	588430365	UCLCSPUTEWOIDU-GHXNOFRVSA-N	323.352	3.981	50	20	DHGD	
O=C(NN=C1C2CC3CC(C2)CC1C3)c1cccc2ncccc12	730146274	NOHJZIGAADKTPU-UHFFFAOYSA-N	319.408	3.777	50	20	DHGD	
Cc1ccc(C(=O)NN=C(CC2CC2)c2ccccc2)c(O)c1	735972066	KBQKXGHMNJTJNB-UHFFFAOYSA-N	308.381	3.635	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(OC)c1	741474914	UFKCXPOEUABIRG-GRRFOWRYSA-N	323.396	3.998	50	20	DHGD	
CC(C)C[C@H](C)CC(=O)NNC(=O)c1cccc2ccccc12	741582425	XKIOEUPMUXDHSA-AWEZNQCLSA-N	312.413	3.673	50	20	DHGD	
CC(C)[C@H](Cc1ccc(F)cc1)NC(=O)NNc1ccccc1	745921637	QPDYUOHZUHLMIQ-KRWDZBQOSA-N	315.392	3.719	50	20	DHGD	
CC[C@H](O[C@H]1CCC[C@H](C)C1)C(=O)NNc1cccc(F)c1	748089389	VXROPWGQCRNTON-RCBQFDQVSA-N	308.397	3.643	50	20	DHGD	
Cc1cccc2c1CCN2C(=O)/C(C#N)=C\c1ccc(F)cc1	751724747	BUKSVNIFOLKJMA-PTNGSMBKSA-N	306.340	3.630	50	20	DHGD	
CCCc1ccc(COC(=O)/C(C#N)=C/c2ccc(O)cc2)cc1	754539937	ZOURSUWXDWTLAT-LDADJPATSA-N	321.376	3.995	50	20	DHGD	
CC[C@@H](C)C=NNC(=O)Nc1cc(Cl)c(OC)cc1OC	755747079	UNHQHVFZSBFDQQ-SECBINFHSA-N	313.785	3.511	50	20	DHGD	
CCO[C@H](CC(=O)NNc1cc(Cl)ccc1Cl)C(C)C	761571433	KAFWCYIGGZAVHF-CYBMUJFWSA-N	319.232	3.888	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(F)cc2Cl)cc1	767755919	NGIZWBMLVIHEFP-UHFFFAOYSA-N	304.752	3.805	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3nccnc3C(C)C)c2cc1C	772833203	HLNMWRSOYPNXQH-UHFFFAOYSA-N	324.384	3.720	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)[C@H]1CCc2c(Cl)cccc21	775781299	IIEKNAVYWWNLPD-LBPRGKRZSA-N	322.742	3.791	50	20	DHGD	
C[C@H](CCCc1ccccc1)C(=O)NNc1cccc(F)c1	775781889	YJTAZLCKGPDAMK-CQSZACIVSA-N	300.377	3.928	50	20	DHGD	
CN(CC1(O)CCCCCC1)/C(=C/C#N)c1ccc(F)cc1	778287229	ZCRMCJWTMOOWHV-LICLKQGHSA-N	302.393	3.707	50	20	DHGD	
CSSCCNC(=O)N[C@@H]1c2ccccc2CC[C@H]1C	790875357	JKXGQDSLXZOHKJ-RISCZKNCSA-N	310.488	3.620	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NN=C2CCC3(CC2)CC3)c1	792627316	NVAINJGSCBYHRR-UHFFFAOYSA-N	300.402	3.509	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CC(c3cccc(Cl)c3)C2)n1	794571605	FAZKQJREZVZJOE-UHFFFAOYSA-N	313.788	3.707	50	20	DHGD	
CC(C)COc1ccc(/C=C(\C#N)C(=O)C2CCOCC2)cc1	794952148	DTIRHPSIGHZASU-GZTJUZNOSA-N	313.397	3.624	50	20	DHGD	
O=C(CCSc1ccccc1Cl)NCC(Cl)Cl	808131789	VQMLUZAOSDVJQX-UHFFFAOYSA-N	312.649	3.742	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C/C(C)=C/c1ccccc1OC(F)F	811638999	LDWMHZKXRUFBNB-MLGRMSFFSA-N	310.344	3.839	50	20	DHGD	
O=C(NN=Cc1ccc(C2CCC2)cc1)c1ccc(Cl)nc1	814810007	UTHPJBNCXQUMPY-UHFFFAOYSA-N	313.788	3.766	50	20	DHGD	
CCc1cnccc1CNC(=O)NNc1ccc(C(C)C)cc1	838541572	XPUOUQMCBSYHOL-UHFFFAOYSA-N	312.417	3.594	50	20	DHGD	
CCC1(C(=O)NNc2cc(F)ccc2Br)CCC1	839879233	TYRRHWCWQXMXSM-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CC[C@H](NC(=O)NNc1cc(F)ccc1C)c1c(C)noc1C	853911764	UFJWVGGGVVVUMJ-ZDUSSCGKSA-N	320.368	3.516	50	20	DHGD	
CC(C)=C(C)C(=O)NNc1ccc(Cl)cc1Br	856233033	SWBJZTSEKAUIAT-UHFFFAOYSA-N	317.614	3.902	50	20	DHGD	
CCc1ccccc1NC(=O)NC[C@]1(C)C[C@H]1Br	856812681	ULXNZUNIUNTTSZ-OCCSQVGLSA-N	311.223	3.544	50	20	DHGD	
CN1CN(Cc2cccc(S(F)(F)(F)(F)F)c2)CC1=O	893480855	CXGAOYOLZKYHKI-UHFFFAOYSA-N	316.295	3.576	50	20	DHGD	
Cc1nn(C(C)C)c(C)c1C=NNC(=O)c1cc2ccccc2o1	901196248	ZZFAHQLXBREXGG-UHFFFAOYSA-N	324.384	3.591	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C/c1ccc(C(=O)OC)cc1F	901481672	UEUQLBLWUZDREN-KYJZABPNSA-N	303.333	3.525	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)Cn1c(C)nc2ccccc21	915943469	FEEAYHHPURGGLA-ZDUSSCGKSA-N	314.433	3.663	50	20	DHGD	
CC(C)CCOc1ccc(C(=O)NN=Cc2ccsc2)cc1	916285500	OPMFDNKGACFYOJ-UHFFFAOYSA-N	316.426	3.937	50	20	DHGD	
O=C(NNc1ccc(F)cc1Cl)Nc1cnn(C2CCC2)c1	934304343	QLMXNZJKSSRSQC-UHFFFAOYSA-N	323.759	3.549	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C(C)(C)Oc2ccccc2)c(C)c1	1116150739	PGMXYIIIXCZZJS-UHFFFAOYSA-N	312.413	3.913	50	20	DHGD	
C=CCCOCCCCC(=O)NNc1ccc(C)c(Cl)c1	1324924482	RWFNZURBOZVOBH-UHFFFAOYSA-N	310.825	3.855	50	20	DHGD	
O=C(NCC(Cl)Cl)[C@@H]1C2CCC(CC2)[C@H]1C(F)(F)F	1552140586	JRSVXSNMNDCYNB-DEWLHEKISA-N	318.166	3.521	50	20	DHGD	
CCC(CC)(CC)CNC(=O)NNc1cccc(C(=O)O)c1C	1595057929	UKBODQSVZWOSHW-UHFFFAOYSA-N	321.421	3.536	50	20	DHGD	
Cc1cc2occ(C(=O)NNc3cccc(C(=O)O)c3)c2cc1C	1610480360	WDUKLXRMLKFRCR-UHFFFAOYSA-N	324.336	3.505	50	20	DHGD	
COc1ccccc1NC(=O)/C(C#N)=C/C=C/c1ccccc1	5070010	YMFPFVYSGVWGLM-RWZRJOGJSA-N	304.349	3.797	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(-c3ccccc3)nn2)sc1C	85655366	HCIQYXLINFYNND-UHFFFAOYSA-N	324.409	3.579	50	20	DHGD	
CCC(CC)n1ncc(C(=O)NNc2cccc(C)c2)c1C	123581495	UODIEFJLEQZQHG-UHFFFAOYSA-N	300.406	3.618	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccc(C)cc2)cc2c1OCO2	154302437	WKMXTQFMLIRUSI-CHHVJCJISA-N	321.332	3.522	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(C#N)cc1)c1ccc2ccccc2c1	155753739	MRXNTFCIZJKDJO-CQSZACIVSA-N	315.376	3.958	50	20	DHGD	
Cc1ccc(NNC(=O)c2cccc(Br)c2C)cc1	158851931	NMMRCLZOHFRTKY-UHFFFAOYSA-N	319.202	3.823	50	20	DHGD	
CCOC(=O)/C(C#N)=C\c1ccc(Cl)c(C(F)(F)F)c1	171048341	ZRRUKNYYZXLRPM-UITAMQMPSA-N	303.667	3.829	50	20	DHGD	
CC(C)(C(=O)NNc1ccccn1)c1cccc(C(F)(F)F)c1	181216930	BSFXGRTZIXOIAT-UHFFFAOYSA-N	323.318	3.521	50	20	DHGD	
CCc1nc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)sc1C	182285848	PADUCJHKHCFRHY-WQLSENKSSA-N	315.373	3.699	50	20	DHGD	
Cc1ccc(C(=O)NNc2ccccc2OC(F)(F)F)s1	190212941	RFSWNTVSBSHIOD-UHFFFAOYSA-N	316.304	3.712	50	20	DHGD	
Cc1nc([C@@H](C)OC(=O)CCCC[C@H]2CCSS2)no1	191683895	WLNOIAPBPGDZIK-KOLCDFICSA-N	316.448	3.696	50	20	DHGD	
CC[C@@H]1C[C@@H](CC(=O)NNc2cccc3c2CCCC3)CCO1	272732109	AYZRJZSCPYZLME-GOEBONIOSA-N	316.445	3.604	50	20	DHGD	
CSSCCNc1ccc(C#N)cc1Br	309068423	BIHOZECALDQVLG-UHFFFAOYSA-N	303.250	3.744	50	20	DHGD	
CCCS(=O)(=O)/C(C#N)=C\c1ccc(-c2ccccc2)o1	588555511	IDBINFUMAVQABY-PTNGSMBKSA-N	301.367	3.636	50	20	DHGD	
O=C(Cc1ccc(F)cc1)NN=C1CCC[C@H]1c1ccccc1	732528255	USTBPWKMEQGPLR-KRWDZBQOSA-N	310.372	3.808	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NNc1nccc2sccc12	734248837	YKLMLFVRAAPDHM-UHFFFAOYSA-N	317.801	3.636	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1cc(F)ccc1O	741462675	KSDSKDQXKPBVMQ-UHFFFAOYSA-N	322.339	3.839	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1ccc(OC(C)C)cc1	748562286	CTWNKWDIYZCKMV-UHFFFAOYSA-N	302.349	3.678	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1cc2ccsc2[nH]1	748660250	GDCISBQCPAMJQH-UHFFFAOYSA-N	323.324	3.588	50	20	DHGD	
CCC1(C(=O)NNc2ccc([N+](=O)[O-])cc2Cl)CCCC1	748725786	NTLNKMVCPJAZBU-UHFFFAOYSA-N	311.769	3.662	50	20	DHGD	
C=CCCC(CC)=NNC(=O)[C@@H](C)Oc1ccc(OCC)cc1	750930570	JITPPEQTQSBJIL-CQSZACIVSA-N	318.417	3.701	50	20	DHGD	
CC(C)C[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(F)cc2)C1	752489308	LCUYZYFNBYSFCJ-CCAPLTMGSA-N	300.377	3.627	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc(F)c2)c(Br)c1	755181524	VQWTZPZSTUIDCJ-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
CC(C)CO[C@@H](C)C(=O)NNc1c(Cl)cc(F)cc1Cl	768008181	VVOIGIZMWNZZFE-QMMMGPOBSA-N	323.195	3.637	50	20	DHGD	
CCCCCC(C)(C)C(=O)NNc1cnc2ccccc2n1	774788236	IMYLXQHPGZMSAN-UHFFFAOYSA-N	300.406	3.679	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2ccc(C(F)(F)F)cc2O)c1	776464766	SUXGTSIXLVNDAA-UHFFFAOYSA-N	324.302	3.785	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1c(C)oc(C)c1C	777482305	GKEHTJJFDAISEL-UHFFFAOYSA-N	309.369	3.818	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)c1ccc(C)c(C)c1O	777482652	OQKRPMFMMFVTJB-UHFFFAOYSA-N	321.380	3.623	50	20	DHGD	
CC[C@@H](C)[C@@H](C)C(=O)NNc1nc2ccc(OC)cc2cc1C	780743192	VJPSCPDUZJVMLI-DGCLKSJQSA-N	315.417	3.677	50	20	DHGD	
C[C@@H]1CCCC[C@H]1N(C)C(=O)[C@H](Br)C(C)(C)C	781073300	FZUPUTNEKIKIKW-UTUOFQBUSA-N	304.272	3.833	50	20	DHGD	
Cc1cccc(CNC(=O)/C(C#N)=C\c2ccc(Cl)cc2)c1	786049013	CWBQRIDHDBKXGP-YBEGLDIGSA-N	310.784	3.872	50	20	DHGD	
C[C@H]1CCN(C(=O)/C(C#N)=C\c2ccc(O)cc2)c2ccccc21	787048466	GETDVYWBXYKHJW-QXPQOBGOSA-N	318.376	3.840	50	20	DHGD	
COc1cc(NNC(=O)c2ccc(Cl)cc2)ccc1Cl	790178104	VDKFEGHATKJXAJ-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CSSCCNC(=O)N1CCC(Cc2ccccc2)CC1	790348876	ADZKPABYGBVHBD-UHFFFAOYSA-N	324.515	3.662	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc(C#N)c(Cl)c1	793806033	VJAVRSYGGKKIHO-SMDDNHRTSA-N	305.809	3.871	50	20	DHGD	
CC[C@H]1CCCC[C@H]1C(=O)NNc1ccc(C(F)(F)F)cn1	793850857	JGLKCDFOLJBVDE-CMPLNLGQSA-N	315.339	3.760	50	20	DHGD	
N#C/C(=C/c1csc(Cl)c1Cl)C(=O)C1CCOCC1	794959265	TWXWKHGTSYEMOP-UITAMQMPSA-N	316.209	3.958	50	20	DHGD	
CC[C@@H]1CC[C@@H](C)CC1=NNC(=O)c1c(C)nc2ccccn12	797400019	KJIPVBHXCLJARR-TZMCWYRMSA-N	312.417	3.575	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1scnc1CC	799406496	FSAPZFZCUOSOMU-UHFFFAOYSA-N	304.419	3.725	50	20	DHGD	
O=C(NN=C1CCC[C@H]1CCCF)c1cc2c(s1)CCC2	800807011	LIHBGTLMBOMTSZ-NSHDSACASA-N	308.422	3.872	50	20	DHGD	
CCCN(NC(=O)c1cccc(Cl)c1)C(=O)OC(C)(C)C	804594490	CLJDGLFLJQKFBW-UHFFFAOYSA-N	312.797	3.632	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H](C)Cn2ccc3ccccc32)cc1	806398516	KHVJSYLGZRHJQV-OAHLLOKOSA-N	307.397	3.729	50	20	DHGD	
CC[C@@H]1CCC1=NNC(=O)COc1ccc(Cl)cc1Cl	807943118	ANAQGIBKLIRHCA-SECBINFHSA-N	315.200	3.664	50	20	DHGD	
C[C@@H](CCc1cccc(F)c1)C(=O)N(C)CC(Cl)Cl	808248026	AJSAYSKQRZJRHK-JTQLQIEISA-N	306.208	3.657	50	20	DHGD	
CCNc1nc(C(=O)NNc2c(C)cccc2C(C)C)cs1	812766835	YEVQJDDBSIWBKO-UHFFFAOYSA-N	318.446	3.764	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(O)c3ccccc3c2)cc1	817885979	REGCKHSPFGMUEI-UHFFFAOYSA-N	322.364	3.701	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)c1cccc2c1CCOC2	820008469	NTNZFHSNNWSCGM-UHFFFAOYSA-N	324.424	3.948	50	20	DHGD	
C[C@H]1C[C@H](C(=O)NNc2ccc(C(F)(F)F)cn2)CC[C@H]1C	828827899	CNQHITLBYRITPI-OUAUKWLOSA-N	315.339	3.616	50	20	DHGD	
CC(C)(F)C(=O)/C(C#N)=C/c1ccc(OCC(F)(F)F)cc1	834447349	KQBBQSQMHIHYTI-YRNVUSSQSA-N	315.266	3.852	50	20	DHGD	
C[C@H]1CC=C(C(=O)NNc2ncc(Cl)cc2Cl)CC1	836782893	LPOPPMUQERBVDA-QMMMGPOBSA-N	300.189	3.578	50	20	DHGD	
CC(C)(Cc1ccc(Cl)cc1)C(=O)NNc1ncccc1F	837628498	NQUIQKUBJMQGLA-UHFFFAOYSA-N	321.783	3.586	50	20	DHGD	
O=C(CCCC1CC1)NNc1cc(F)ccc1Br	839879444	XUQHPMODPOBCSD-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)Nc1nccn1C1CC1	839933621	RTYYGGRWNGBFHL-LBPRGKRZSA-N	311.476	3.871	50	20	DHGD	
CC[C@H]1CCC[C@H]1C(=O)NNc1ncnc(Cl)c1C(C)C	840544676	HXMNCZZFOUGWDP-WDEREUQCSA-N	310.829	3.523	50	20	DHGD	
O=C(CCCC[C@H]1CCSS1)OCc1ccns1	847831117	XMLIRXVPINRTIX-JTQLQIEISA-N	303.474	3.900	50	20	DHGD	
C=CC[C@@H]1CCCCC1=NNC(=O)c1cc(OC)cc(OC)c1	853270555	BAXARVCWLIFKIS-CYBMUJFWSA-N	316.401	3.556	50	20	DHGD	
COC1(C(C)=NNC(=O)c2c(Cl)cccc2Cl)CCC1	853303790	YLQBPBFUGSFLRL-UHFFFAOYSA-N	315.200	3.668	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(c2cccc(C#N)n2)C1	853896791	KZPWPMFIRVVMTC-HNNXBMFYSA-N	317.509	3.944	50	20	DHGD	
CSc1ccc(CNC[C@@]2(C)C[C@H]2Br)s1	856809018	IIZHAJMVVJNRGE-MWLCHTKSSA-N	306.294	3.733	50	20	DHGD	
CN1CCCC[C@@H](CNCc2ccc(OCCCCl)cc2)C1	858245196	COVULUNALDLOFU-KRWDZBQOSA-N	324.896	3.516	50	20	DHGD	
CC(C)(C)OCCCC(=O)OC[C@H](CBr)C1CC1	859689669	UMPQCOGTDFYGKB-LBPRGKRZSA-N	321.255	3.546	50	20	DHGD	
C[C@@]1(CNC(=O)Nc2ccc3occc3c2)C[C@@H]1Br	861543976	HOUXRUWTTBDKOJ-JSGCOSHPSA-N	323.190	3.728	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)[C@@H]2Cc3ccc(C)cc3S2)c1	1252944755	NYPLBOZMJTUYPS-INIZCTEOSA-N	316.401	3.603	50	20	DHGD	
C[C@@]1(COC(=O)C2CCC(F)(F)CC2)C[C@H]1Br	1263537631	VGMUQZAVYWRYPQ-KOLCDFICSA-N	311.166	3.529	50	20	DHGD	
Cc1ccc(O[C@@H](C)C(=O)NNc2ccc(C)c(Cl)c2)cc1	1317807205	AXWJAUAUBGATCI-ZDUSSCGKSA-N	318.804	3.867	50	20	DHGD	
CCOc1ccc([C@@H](NC(=O)CCl)c2ccccc2)cc1	1324701274	GCWNBDQFJMSKLY-KRWDZBQOSA-N	303.789	3.530	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccc(C3CCC3)cc2)nn1	1326290367	MRSRNPRKTKYSCX-UHFFFAOYSA-N	324.428	3.799	50	20	DHGD	
Cc1cccc([C@@H]2CCCN2C[C@@H](CBr)C2CC2)n1	1328757479	ZOHIMPZYIVPNML-ZBFHGGJFSA-N	323.278	3.948	50	20	DHGD	
CCS[C@@H]1CCC[C@@H]1NC[C@@H](CBr)C1CC1	1329805880	KNIYRYJSQSSOSK-FRRDWIJNSA-N	306.313	3.671	50	20	DHGD	
Cc1cc(F)ccc1NNC(=O)c1cc(C)n(CC2CC2)c1C	1340924939	JLBBQMOKPHPXSK-UHFFFAOYSA-N	315.392	3.719	50	20	DHGD	
CS[C@H]1CCN(C(=O)CCCC[C@@H]2CCSS2)C1	1344389799	REGDYEPRTBGSLF-NEPJUHHUSA-N	305.534	3.664	50	20	DHGD	
O=C(CCC1CCCC1)NNC(=O)Cc1ccc2ccccc2c1	53605021	NBJCRYBPWLWMTC-UHFFFAOYSA-N	324.424	3.500	50	20	DHGD	
COC(=O)/C(C#N)=C\c1csc(-c2ccc(Cl)cc2)n1	96662772	MBJOXJVLLJKVML-POHAHGRESA-N	304.758	3.543	50	20	DHGD	
C[C@H](CC(=O)NNc1ccc(F)cc1F)c1ccc(F)cc1	104130735	KILROLMKVNWGCC-SNVBAGLBSA-N	308.303	3.741	50	20	DHGD	
O=C(NNc1cccc2c1CCCC2)C1(c2ccccc2F)CC1	120320127	AMYCDGXKWXXKLF-UHFFFAOYSA-N	324.399	3.879	50	20	DHGD	
CC[C@H](NC(=O)CCCC[C@@H]1CCSS1)[C@H]1CCCO1	132886506	YHJHKXXXQJCJKI-HZSPNIEDSA-N	317.520	3.774	50	20	DHGD	
CC[C@@H](NNC(=O)c1ccc2ccccc2n1)c1ccc(F)cc1	160672192	SZGJVWRNKJNEKF-MRXNPFEDSA-N	323.371	3.760	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cc(F)c(F)cc2F)c1	255840506	AVAVHVXZRQDDKW-SDQBBNPISA-N	316.282	3.958	50	20	DHGD	
Cc1cc(C)c(NC(=O)/C(C#N)=C\c2ccc(C#N)o2)c(C)c1	255895478	ZRLXLWSNIRTEOB-ZSOIEALJSA-N	305.337	3.622	50	20	DHGD	
CC[C@@H](C(=O)N1CC=C(C#N)CC1)c1cccc(C(F)(F)F)c1	271104886	KYIXQMUXNOSXNU-OAHLLOKOSA-N	322.330	3.881	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(N(C)C)cc1F	281800878	PCGZCJMSXGSCNA-UHFFFAOYSA-N	315.392	3.519	50	20	DHGD	
CCN(CC(C)(C)C)S(=O)(=O)c1ccc(CCCl)cc1	312668391	BHNUYQRKOBNDIR-UHFFFAOYSA-N	317.882	3.525	50	20	DHGD	
C[C@@H]1c2ccsc2CCN1C(=O)/C(C#N)=C\c1ccc(O)cc1	491013830	VMXWPJYVRGJAQR-XTCQQWIJSA-N	324.405	3.507	50	20	DHGD	
CN(C)c1ccc(/C=C(\C#N)c2nc3ccccc3[nH]2)cc1F	727653018	AKAHIXJYEDHZOM-UKTHLTGXSA-N	306.344	3.832	50	20	DHGD	
COc1cc(Cl)ccc1C(=O)NN=C(C)Cc1cccs1	729635397	RJORWYHALCVGFH-UHFFFAOYSA-N	322.817	3.759	50	20	DHGD	
CCC[C@H](C(=O)NNc1cnnc2ccccc12)c1ccccc1	733810839	CAUXMTHMRDQJGY-HNNXBMFYSA-N	320.396	3.657	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1Cc1ccccc1)c1ccccc1O	735609052	MBOKEBMTRLOMBE-OAHLLOKOSA-N	308.381	3.521	50	20	DHGD	
CS[C@@H](C(=O)Oc1ccc([N+](=O)[O-])c(C)c1)c1ccccc1	739484978	LBCCFHLLQZRXRP-OAHLLOKOSA-N	317.366	3.913	50	20	DHGD	
CC(C)(C)c1n[nH]cc1C=NNC(=O)c1cccc2ccccc12	741462496	GRYICNBEVYTANA-UHFFFAOYSA-N	320.396	3.624	50	20	DHGD	
O=C(NNc1ccc(Cl)c(F)c1)[C@@H]1C[C@H]1c1ccc(F)cc1	746695371	ITLGOVKMGRZMAE-QWHCGFSZSA-N	322.742	3.865	50	20	DHGD	
Cc1cccc([C@H](C)C(=O)NNc2cccc3cnccc23)c1	748773304	JWTMHLRXJAUAJG-AWEZNQCLSA-N	305.381	3.790	50	20	DHGD	
COc1ccc(CN(C)/C(=C/C#N)c2ccc(F)cc2)cc1F	750600127	TXIDVWDSIOMLSY-RQZCQDPDSA-N	314.335	3.970	50	20	DHGD	
CC(=NNC(=O)C1CC1)c1ccc(Cl)c(C(F)(F)F)c1	754700851	NQWNUXBZEKETSV-UHFFFAOYSA-N	304.699	3.609	50	20	DHGD	
CC(C)(C(=O)NN=C[C@@H]1C[C@@H]1c1ccccc1)c1ccccc1	755706033	YUOZHAKLHYJMNB-FUHWJXTLSA-N	306.409	3.870	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccncn2)cc1OCCC(C)C	758917711	ZAHHGIVQSSNXBA-MHWRWJLKSA-N	323.396	3.974	50	20	DHGD	
Cc1cccc2c1CCN2C(=O)[C@@H](Br)C(C)(C)C	767919596	JLJGTMMNRDGYAN-CYBMUJFWSA-N	310.235	3.694	50	20	DHGD	
CC(C)(C)c1ccc(CC(=O)NNc2nc3ccccc3[nH]2)cc1	768507239	PSQZPVYKUBZGSY-UHFFFAOYSA-N	322.412	3.546	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2nccc3sccc23)cn1	772454624	PJBVMAMBFLIBAT-UHFFFAOYSA-N	312.398	3.572	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1ccc(C)c(OC)c1)c1ccccc1	773055223	WDHACALYWJFMFU-QGZVFWFLSA-N	310.397	3.648	50	20	DHGD	
Cc1cc(C)cc(NC(=O)NNc2cccc([N+](=O)[O-])c2C)c1	775387945	JXXCRNLVVGZDDP-UHFFFAOYSA-N	314.345	3.669	50	20	DHGD	
C#CCOc1ccc(NC(=O)NNc2cccc(Cl)c2)cc1	775609174	JUDGUCPMSLFEGC-UHFFFAOYSA-N	315.760	3.501	50	20	DHGD	
CC(C)(C)C(=O)COC(=O)CCCC[C@@H]1CCSS1	786589584	BJNQVKQZSISJOA-LLVKDONJSA-N	304.477	3.859	50	20	DHGD	
CCNC(=O)N(C)N=CCCc1c(Cl)cccc1Cl	790171380	VZVSUUMZIOQJHJ-UHFFFAOYSA-N	302.205	3.573	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)N2CC(C)(C)[C@@H]2C2CC2)cc1	793404345	HBQNVWSUAUXIFD-QMJOVRGKSA-N	324.424	3.639	50	20	DHGD	
Cn1c(/C(C#N)=C\c2c(F)ccc(O)c2F)nc2ccccc21	794931318	LEJOFZOPWFZGAW-NTMALXAHSA-N	311.291	3.621	50	20	DHGD	
O=C(NNc1cccc(F)n1)Nc1ccc(Cl)cc1Cl	796640166	ROKLXVWOXMTCPU-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Nc1cc(C(C)C)on1	799401800	UOWWMNRJMHJDEO-UHFFFAOYSA-N	302.378	3.817	50	20	DHGD	
Cc1nc(-c2cccs2)ccc1C(=O)NCC(Cl)Cl	808129962	ZYRVJAQYFYGLMT-UHFFFAOYSA-N	315.225	3.652	50	20	DHGD	
COc1ccc(NC(=O)NN=C2CCC[C@H]2C(C)(C)C#N)cc1	814998264	AYMHGCWJGXZRPD-CQSZACIVSA-N	314.389	3.523	50	20	DHGD	
Cc1ccc2snc(C(=O)NNc3c(C)cccc3F)c2c1	816164389	VCOKCHQDOGMIJR-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
CC[C@@H](C)n1nc(C(=O)NNc2c(C)cccc2Cl)cc1C	836933731	OBJZYSVMUHXCPE-LLVKDONJSA-N	320.824	3.881	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCCN(Cc2cccnc2N)C1	844337217	QOQHZJPDHODXIV-HNNXBMFYSA-N	321.541	3.650	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCON=Cc1ccc([N+](=O)[O-])o1	853642078	FPUQKLIOYMZGCA-UHFFFAOYSA-N	314.414	3.560	50	20	DHGD	
COc1cccc(C(=O)NNc2ccc(C)cc2)c1OC(C)C	856846732	DODRWMCKDZDCNH-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
Cc1cccc2cc(C(=O)NC[C@]3(C)C[C@H]3Br)oc12	857403811	UUHLZCMEEPOZDG-DOMZBBRYSA-N	322.202	3.645	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)[C@@H](C)Oc1ccccc1	899892551	KAUQKPXVWAXBBJ-CYBMUJFWSA-N	315.325	3.585	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)c2ccsc2)C1	912584193	FWVCHTUICVUTLX-ZDUSSCGKSA-N	311.523	3.984	50	20	DHGD	
O=C(COC1CCCC1)NN(c1ccccc1)c1ccccc1	916032739	UCIIIANTAGEFBG-UHFFFAOYSA-N	310.397	3.815	50	20	DHGD	
O=C(NCc1cccc(C(F)(F)F)c1)NN=Cc1ccccc1	921259571	FRDMXXHGRFVOQH-UHFFFAOYSA-N	321.302	3.539	50	20	DHGD	
CCN(C(=O)CCl)[C@@H](c1cccnc1)c1ccc(F)c(F)c1	1253968203	LIVGCXDVBGCLMW-MRXNPFEDSA-N	324.758	3.537	50	20	DHGD	
C=Cc1ccc(/C=C(\C#N)C(=O)Nc2ccc(C(=O)O)cc2)cc1	1776130541	QEWDZIBCDDWNFT-LFIBNONCSA-N	318.332	3.573	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cn(C)nc2C)cc1	6854066	JNYHSVIKKNZKIJ-WJDWOHSUSA-N	322.412	3.617	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2nc3ccccc3n2C)cc1C	25887865	SOHXGTPDIYFRPF-RVDMUPIBSA-N	303.365	3.955	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=O)[C@@H]1C[C@H]1c1ccc2ccccc2c1	108893558	NAECUCBUVKNMOV-DLBZAZTESA-N	324.424	3.527	50	20	DHGD	
CCOc1cccc(C(=O)NNc2cccc3c2CCCC3)c1	119963548	AMLVHGXQBDNDJA-UHFFFAOYSA-N	310.397	3.721	50	20	DHGD	
Cc1ccc(-c2nc(/C=C(/C#N)C(=O)N3CCCC3)cs2)cc1	124794922	XZTVIRCUOUAKGQ-GDNBJRDFSA-N	323.421	3.648	50	20	DHGD	
O=C(CC1CCCCC1)NNc1ccc(-c2ccccc2)nn1	128116737	XBSAGSHWLCHAGS-UHFFFAOYSA-N	310.401	3.557	50	20	DHGD	
CC[C@@H](Oc1ccccc1F)C(=O)NNc1cc(C)ccc1F	150837395	KDBROCDFNUUGHU-OAHLLOKOSA-N	320.339	3.574	50	20	DHGD	
Cc1ccc(NNC(=O)[C@@H]2C[C@]23CCCc2ccccc23)cc1	158853533	KRWPEQNJYNUGKW-ICSRJNTNSA-N	306.409	3.732	50	20	DHGD	
Cc1ccc2nc(C3CC3)cc(C(=O)NNc3ccccn3)c2c1	181199484	MXYALZRIEGZUBK-UHFFFAOYSA-N	318.380	3.573	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C/c1ccc(OCCC)c(OCC)c1	192577307	RRURLPIBICHFFI-RVDMUPIBSA-N	315.369	3.510	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)O[C@H](C)C#N)c(C)n1CCC(C)C	214583967	PMUSDHZSDYBZDV-KDVQLTRESA-N	313.401	3.513	50	20	DHGD	
CC(C)(C)Oc1ccccc1NC(=O)NNc1ncccc1F	287411372	XIGFJKDMMGNTOP-UHFFFAOYSA-N	318.352	3.547	50	20	DHGD	
COc1ccsc1/C=C(/C#N)C(=O)Nc1c(C)cccc1C	490725159	DWIUOXDKCBCYTB-LCYFTJDESA-N	312.394	3.919	50	20	DHGD	
C[C@@H](Br)c1ccc(NC(=O)OC(C)(C)C)nc1	536958728	KLQKSWJMWUFRFX-MRVPVSSYSA-N	301.184	3.885	50	20	DHGD	
C[C@H]1CCCC[C@@H]1CC(=O)NNc1ccc(F)c(F)c1F	728714287	RREZUYVGDLALIY-VHSXEESVSA-N	300.324	3.763	50	20	DHGD	
C[C@@H]1CCC[C@@H]1NC(=O)NNc1ccccc1C(F)(F)F	729624689	WTNGNRPGZSGKRO-KOLCDFICSA-N	301.312	3.520	50	20	DHGD	
COc1ccc(Cl)cc1C(C)=NNC(=O)c1ccccc1F	730545286	WNSJHXVKFWUXHC-UHFFFAOYSA-N	320.751	3.642	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1c(Cl)cccc1OC(F)F	732925300	VQYUKBGTHCMRKV-UHFFFAOYSA-N	318.751	3.828	50	20	DHGD	
Cc1cccc(OC(=O)c2c(C)nn(CCCl)c2C)c1C	733909978	DIFJRKNGYUOESB-UHFFFAOYSA-N	306.793	3.575	50	20	DHGD	
CCCCC(COC)=NNC(=O)c1cc2c(s1)CC[C@H](C)C2	737421989	BKKZNJOCRFMQBS-LBPRGKRZSA-N	322.474	3.795	50	20	DHGD	
O=C(NN=C1CCC[C@H](C2CC2)C1)c1ccc(O)c(Cl)c1	737432941	APFRVQCGMJPNLJ-NSHDSACASA-N	306.793	3.732	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C2(c3cccc(F)c3)CC2)c(C)c1	743763969	FRMLDOOODFHONW-UHFFFAOYSA-N	312.388	3.926	50	20	DHGD	
O=C(NN=C[C@H]1C[C@@H]1c1ccccc1)c1ccc(O)c(Cl)c1	755733942	KQBHJKMNKJJUIG-ZIAGYGMSSA-N	314.772	3.565	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2cc(C)ccc2F)cc1	760141615	RRJFTHJNOXMNAL-CYBMUJFWSA-N	300.377	3.943	50	20	DHGD	
C[C@H](CC(=O)NNc1ncnc2ccsc12)C1CCCCC1	766678593	IBLZBPUGILQEKW-LLVKDONJSA-N	318.446	3.741	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1nc2ccccc2[nH]1	768503688	GSALMFNDSUEESH-UHFFFAOYSA-N	308.385	3.617	50	20	DHGD	
CCOc1ccccc1NC(=O)[C@@H](Br)C(C)(C)C	781071184	SWEBPPJPNJAGHQ-GFCCVEGCSA-N	314.223	3.833	50	20	DHGD	
CCSCC[C@H](C)N(C)C(=O)[C@@H](Br)C(C)(C)C	781095882	BTODSDRMISDWHY-WDEREUQCSA-N	324.328	3.786	50	20	DHGD	
Cc1cccnc1NNC(=O)c1cc2cccc(Cl)c2o1	791220677	KMYOUUIKSUYSOO-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
O=C(NN=C/C=C/c1ccc(F)c(F)c1)c1ccccc1F	794861496	XWFIVRNLNVSVOX-PQXRUWMISA-N	304.271	3.533	50	20	DHGD	
C=C[C@](C)(CCOC)C(=O)NNc1c(C)cccc1C(C)C	794953850	PYDJXHKATZJLPS-GOSISDBHSA-N	304.434	3.790	50	20	DHGD	
CC(C)CNC(=O)/C(C#N)=C\c1ccc(-c2ccc(F)cc2)o1	797330845	ROGILCKAHOWLPN-ZROIWOOFSA-N	312.344	3.765	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)c1cccc(OC)c1	799760691	NFRDFXUIGOISHZ-AWEZNQCLSA-N	312.413	3.813	50	20	DHGD	
CC[C@@H](C=NNC(=O)c1cccc([N+](=O)[O-])c1)c1ccccc1	814684186	HCZABXUXUORWQB-ZDUSSCGKSA-N	311.341	3.504	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)COc1ccccc1O	814951514	HEQHWORUOWQOCL-UHFFFAOYSA-N	318.417	3.624	50	20	DHGD	
O=C(NNc1ccc([N+](=O)[O-])cc1Cl)[C@@H]1CC2CCC1CC2	815855167	HSBUKVQJWHHBPV-RTYFJBAXSA-N	323.780	3.518	50	20	DHGD	
CCCc1ccc(C(=O)NNc2cc(C(F)(F)F)ccn2)cc1	832962606	FUYFXYSFCGUUOG-UHFFFAOYSA-N	323.318	3.810	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)NC[C@@H]1CCCC1(F)F	838671874	FLYONDPOSFDEDG-ZDUSSCGKSA-N	311.376	3.619	50	20	DHGD	
O=C(/C=C/C1CCCC1)NNc1cccc(Br)c1	843830701	FMTHKENBULUNQQ-CMDGGOBGSA-N	309.207	3.639	50	20	DHGD	
CC1=C(C)C[C@@H](C(=O)NNc2ccc(C#N)c(Cl)c2)CC1	843855378	ZDRSVIMJSYPEMU-LBPRGKRZSA-N	303.793	3.791	50	20	DHGD	
CCCC(C)(C)C(=O)NNc1ccc(F)cc1Br	845855581	XCLFHDGIRYTIBA-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1coc2ccc(Cl)cc12	848085093	NHELBUSHMZWSRA-UHFFFAOYSA-N	306.576	3.962	50	20	DHGD	
N#C/C(=C\C1CC1)C(=O)OCC(=O)c1c(Cl)cccc1Cl	848751752	UKOJGLJEFVDIJR-UXBLZVDNSA-N	324.163	3.579	50	20	DHGD	
CC(C)c1n[nH]c(CN2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)n1	852523463	GIBWXQOIRVIJPT-CYBMUJFWSA-N	324.545	3.524	50	20	DHGD	
CCC(CCc1ccccc1)=NNC(=O)OCC(F)(F)F	863127141	PAYXHKBBNRPGDQ-UHFFFAOYSA-N	302.296	3.674	50	20	DHGD	
C[C@]1(CNCc2c(Cl)cncc2Cl)C[C@@H]1Br	865637389	SYBMXJFJFMRZMR-WDEREUQCSA-N	324.049	3.652	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)c2ccccc2CC#N)cc1	867291022	FVRWTKDUDUBLKN-UHFFFAOYSA-N	307.397	3.807	50	20	DHGD	
C[C@H](Cc1cccnc1)NC(=O)CCCC[C@@H]1CCSS1	889655973	VMURCDAYLQAKOP-UKRRQHHQSA-N	324.515	3.843	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@H]2CC23CCC3)C1	912581766	JUQQIGGCYUILGW-UONOGXRCSA-N	309.526	3.799	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)NCC2CCC2)c(C)n1CC(C)C	915159787	XTHCLGCKJSSVCT-GIJQJNRQSA-N	313.445	3.584	50	20	DHGD	
CC(CC(C)(C)c1ccccc1)=NNC(=O)c1ccccc1O	915934413	BYODJGIIXJQXSM-UHFFFAOYSA-N	310.397	3.866	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)O[C@H](C)C(=O)c2ccccc2)cc1	916603706	GCLZZBGJBTVAGT-GYZOOYGHSA-N	319.360	3.717	50	20	DHGD	
C[C@H]1CCc2sc(C(=O)NN=C/C=C\c3ccco3)cc2C1	920367776	QALSTFKGAZMMBK-AYBPMCJPSA-N	314.410	3.895	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2cc(F)ccc2F)cc1C	930717353	POVSLGXUZLYIGC-VIFPVBQESA-N	323.347	3.589	50	20	DHGD	
C[C@H]1CN(C(=O)C2CCC(Cl)CC2)[C@H](c2ccccc2)CO1	1123729512	LGRYMVQASRJUCF-LYAPFXNSSA-N	321.848	3.773	50	20	DHGD	
C[C@H](CC1CCCCC1)C(=O)NNc1cnc2ccccc2n1	1296178800	NHJWYGHBYYQWNH-CYBMUJFWSA-N	312.417	3.679	50	20	DHGD	
Cc1ccc(NNC(=O)c2coc(C3CCC3)n2)cc1Cl	1320814762	WFKSHCDIKHMZCU-UHFFFAOYSA-N	305.765	3.661	50	20	DHGD	
O=C(Nc1ccccc1O[C@H]1CCOC1)C1CCC(Cl)CC1	1349310431	LESFILPKLLYVMT-RUXDESIVSA-N	323.820	3.590	50	20	DHGD	
O=C(NN=C1CCCCC12CCC2)Nc1ccc(C(=O)O)cc1	1776046620	YONQCYGCKJFFHZ-UHFFFAOYSA-N	315.373	3.607	50	20	DHGD	
CCOCCO[C@@H](CBr)c1ccc(Cl)cc1	50480629	KJBRAEQHZNNMGA-LBPRGKRZSA-N	307.615	3.829	50	20	DHGD	
CCONC(=O)/C(C#N)=C\c1cc(C)n(C2CCCCC2)c1C	73083452	OVULEMWJUYYCAH-WJDWOHSUSA-N	315.417	3.585	50	20	DHGD	
Cc1ccnc(NNC(=O)c2sc3ccc(F)cc3c2C)c1	88423212	QDCVZYDRPQUKJA-UHFFFAOYSA-N	315.373	3.809	50	20	DHGD	
CCCCCc1nnc(NC(=O)NNc2ccc(F)cc2)s1	91989886	DDWCPRFOKIEIMS-UHFFFAOYSA-N	323.397	3.559	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2cnc3c(C)cccn23)s1	125370687	IJBSFMFCWUTPPJ-JYRVWZFOSA-N	307.378	3.803	50	20	DHGD	
O=C(CCC1CCC1)NNc1cc(C(F)(F)F)ccc1F	128863124	PVMAAFGZHFLRJG-UHFFFAOYSA-N	304.287	3.868	50	20	DHGD	
O=C(NNc1ccccc1F)c1ccc(Cl)c2cccnc12	153038873	GWXMRBGRYBYMGD-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
O=C(NNc1ccc(C(F)(F)F)cc1)c1cccc2[nH]ccc12	153783635	GTEDCWFEALKZOS-UHFFFAOYSA-N	319.286	3.944	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c(Cl)c1)C(=O)Nc1ccncc1	160757916	CQPPLKMLGBDPQC-XFFZJAGNSA-N	318.163	3.934	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1cn2cc(Cl)ccc2n1	171019296	HOUZHEXXQITLDJ-GHXNOFRVSA-N	301.777	3.900	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccccn2)c(OC(F)F)c1	172092323	KPEGKBUIKNVJGA-XYOKQWHBSA-N	302.280	3.756	50	20	DHGD	
CSc1ccccc1NC(=O)/C(C#N)=C\c1ccc(O)cc1	188112290	DUQNGAVLRKYKOC-RAXLEYEMSA-N	310.378	3.660	50	20	DHGD	
Cc1cccc(C=NNC(=O)COc2ccc3ccccc3c2)c1	257350983	BKYCFLPYNKIZLQ-UHFFFAOYSA-N	318.376	3.677	50	20	DHGD	
C/C(C=NNC(=O)COc1ccc(C)c(C)c1)=C/c1ccccc1	263630689	VSNQGKRCRWWTAL-XIMWKBLMSA-N	322.408	3.888	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(Cl)c(F)c2)CCO1	272861555	SBTHYAJADGUIKL-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H](C)Sc1ccccn1	281875949	WSSOVJPXVAWBQE-CYBMUJFWSA-N	315.442	3.576	50	20	DHGD	
CCC[C@H](C)C(=O)NNC(=O)c1cc2c(s1)CCCCCC2	302981460	UBRCKFHUAITOBC-LBPRGKRZSA-N	322.474	3.604	50	20	DHGD	
CC1(C)CC(=NNC(=O)c2ccccc2F)c2ccoc2C1	731486104	NOMCQAGNUHJZAB-UHFFFAOYSA-N	300.333	3.525	50	20	DHGD	
O=C(CNc1ccccc1)NN=C1CCC[C@H]1c1ccccc1	732527778	JHUOQIHZSDYUIE-KRWDZBQOSA-N	307.397	3.538	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc21)NNc1nccc2sccc12	734550187	GVZXNVSDLZKCJS-ZDUSSCGKSA-N	323.421	3.860	50	20	DHGD	
C#CCOc1ccc(/C=C(/C#N)c2nc3cccc(C)c3[nH]2)cc1	735616876	LFQBZTSIHBLAGJ-VBKFSLOCSA-N	313.360	3.948	50	20	DHGD	
C[C@H]1C[C@H]1c1ccc(CNC(=O)NNc2c(F)cccc2F)o1	735759287	RXLIZNUXZTYLAN-GXSJLCMTSA-N	321.327	3.508	50	20	DHGD	
CCOC(=O)/C(C#N)=C\N[C@H](c1ccc(Cl)cc1)[C@@H]1C[C@H]1C	742026407	OGHLNUTYGXOYKR-DLWPCYANSA-N	318.804	3.597	50	20	DHGD	
CCCCCC[C@](C)(CC)C(=O)NNC(=O)OC(C)(C)C	742467354	AHUDADAXGGRDBN-INIZCTEOSA-N	300.443	3.929	50	20	DHGD	
C[C@H](NC(=O)NNc1cc(F)c(F)cc1F)C1CCCCC1	745837633	HXVJORQADBXCFT-VIFPVBQESA-N	315.339	3.699	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)c2ccc(C#N)cc2)cc1	747051035	LIAXJMFVWAZGIH-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCCN(C)c2ccccc2)cc1	747178198	GJYVVHNPESOAQG-JXAWBTAJSA-N	320.392	3.582	50	20	DHGD	
CC1(C(=O)NNc2ccc(F)cc2Br)CCCC1	748074702	NRMVWWFRLIEQBP-UHFFFAOYSA-N	315.186	3.612	50	20	DHGD	
CCCCc1ccc(CC(=O)NNc2cccc(F)c2)cc1	748091315	PYJAHSKKIUGCJP-UHFFFAOYSA-N	300.377	3.854	50	20	DHGD	
C[C@@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cc3ccccc3o2)o1	749823812	RSPFZDZHSRDRFO-RISCZKNCSA-N	308.337	3.913	50	20	DHGD	
C[C@H]1CCCC[C@H]1CC(=O)NNc1ccc(-c2ccccc2)nn1	754472134	PDSFNQGMFRSFLP-HOCLYGCPSA-N	324.428	3.803	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccc(N2C[C@H]3CC[C@H]2C3)cc1	755448679	SBMVNYCIUBUDSP-KSSFIOAISA-N	322.412	3.824	50	20	DHGD	
Cc1ccc(C)c(OCC(=O)NN=C[C@@H]2C[C@@H]2c2ccccc2)c1	755503606	BHTVFMJAWQCGCC-ZWKOTPCHSA-N	322.408	3.588	50	20	DHGD	
CC(C)c1ocnc1C(=O)NNc1c(Cl)cccc1Cl	763612913	OVNDUPAUYIALQB-UHFFFAOYSA-N	314.172	3.862	50	20	DHGD	
O=C(NNc1c(Cl)cc(F)cc1Cl)N[C@@H]1CC=CCC1	768085083	AHJDHBQFRJIRNJ-SECBINFHSA-N	318.179	3.867	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cccc(Cl)c1O	768324366	ZTINGXBQDMHBIN-JTQLQIEISA-N	320.614	3.794	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccccc2)c(-c2cccs2)n1	769551212	JJPZLEGDSNSISJ-UVTDQMKNSA-N	319.389	3.938	50	20	DHGD	
Cc1cc(C)cc(OCC(=O)NNc2c(F)cccc2Cl)c1	770196454	DEFOMIXGPGDQMZ-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
C[C@@H]1CCN(/C(=C/C#N)c2cccc([N+](=O)[O-])c2)CC12CCC2	771462887	LCDLXAYDLBHCGI-LHVGBSQFSA-N	311.385	3.971	50	20	DHGD	
Cn1cccc1/C=C(\C#N)C(=O)c1ccc(F)c(C(F)(F)F)c1	773145496	SEPSMIQISKHTCB-YRNVUSSQSA-N	322.261	3.973	50	20	DHGD	
O=C(NN=C1CC=C(c2ccc(F)cc2)CC1)c1ccncc1	776758036	FZDKDYSJDYRSBS-UHFFFAOYSA-N	309.344	3.574	50	20	DHGD	
CCC(=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1F	778541766	MAPQYGMMJVLEIU-UHFFFAOYSA-N	320.751	3.729	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1ccc(Br)c(C)c1	780516277	LXYWIDMQHRWZSP-KOLCDFICSA-N	313.239	3.883	50	20	DHGD	
O=C(NN=Cc1sccc1Cl)c1ccc(Cl)cc1F	782241701	AEPLHYTWNHPUMA-UHFFFAOYSA-N	317.172	3.958	50	20	DHGD	
COc1cc(C)c(C(=O)/C=C\c2cnn(CCCl)c2)cc1C	783712444	GNHJGXOQSZHBKJ-PLNGDYQASA-N	318.804	3.643	50	20	DHGD	
CSSCCNC(=O)N1CCC[C@@H]1CCc1ccccc1	790878576	LJORSQMOWVADTA-OAHLLOKOSA-N	324.515	3.804	50	20	DHGD	
COc1cc(F)ccc1NNC(=O)c1cc2cc(C)ccc2o1	791162837	LLTNPNHJCYLVOM-UHFFFAOYSA-N	314.316	3.646	50	20	DHGD	
Cc1cccnc1NNC(=O)CCc1ccc(CC(C)C)cc1	791224943	ICJVDOSWXDZISE-UHFFFAOYSA-N	311.429	3.664	50	20	DHGD	
C[C@H](CBr)COC(=O)c1ccc(C(C)(F)F)cc1	796262449	CBYVCWWESZMACN-SECBINFHSA-N	321.161	3.986	50	20	DHGD	
Cc1nn(C(C)C)cc1C=NNC(=O)c1cccc2ccccc12	799109645	IATTVHPRWOFKNJ-UHFFFAOYSA-N	320.396	3.690	50	20	DHGD	
Cc1ccc(CNC(=O)/C(C#N)=C/c2cccc(CCl)c2)cc1	799892436	IBOCPQOVSCDRRO-VCHYOVAHSA-N	324.811	3.957	50	20	DHGD	
CC(C)(C)c1cnc(CCC(=O)NNc2ccc(Cl)cc2)o1	801635751	AVMBQAIHTNANMH-UHFFFAOYSA-N	321.808	3.701	50	20	DHGD	
CC[C@H]1CCC1=NNC(=O)c1cc(-c2ccc(C)c(C)c2)[nH]n1	807975962	IBVIVXIJWSUZHH-ZDUSSCGKSA-N	310.401	3.599	50	20	DHGD	
CCc1cc(SC#N)cc(CC)c1NC(=O)COC(F)F	808078096	MEUFWEFTEHHGRZ-UHFFFAOYSA-N	314.357	3.562	50	20	DHGD	
Cc1ccsc1C(=O)/C(C#N)=C/c1cn(C)nc1C(F)F	812242273	UNTDSCGENRHTCK-WEVVVXLNSA-N	307.325	3.518	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)[C@H]1CCC(=O)C[C@H]1C	812765780	UUBQCCKUUXAJAY-CJNGLKHVSA-N	302.418	3.567	50	20	DHGD	
Cc1nc(C(C)C)ccc1C(=O)OC[C@@H](C)CBr	815349415	GMRMMRKKYIDMJR-JTQLQIEISA-N	314.223	3.701	50	20	DHGD	
CC(C)[C@@H]1N(C(=O)[C@H](Br)C(C)(C)C)CC12CCC2	816800518	ZJMNHTJQZMGQBP-RYUDHWBXSA-N	316.283	3.833	50	20	DHGD	
CC(=NNC(=O)c1ccc(O)c(Cl)c1)[C@@H]1CCCC[C@@H]1C	834959917	XRABECIIEBGLIB-GXFFZTMASA-N	308.809	3.978	50	20	DHGD	
CC(=O)c1ccc(CC(=O)NNc2ccc(C(C)C)cc2)cc1	837055268	CSIUGZLULLQQEI-UHFFFAOYSA-N	310.397	3.698	50	20	DHGD	
C[C@]1(CN[C@H]2CCSc3ccccc32)C[C@@H]1Br	857081325	FAXOBRJSODKRSL-FPMFFAJLSA-N	312.276	3.987	50	20	DHGD	
N#C/C(=C/c1c(F)ccc(F)c1Cl)C(=O)[C@@H]1CCCOC1	863189968	JZAXEUBCAZIJEK-WPVMNKCKSA-N	311.715	3.521	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C\c2cnn(C(C)(C)C)c2)c1C	915984234	RTVWMZVXLPLUPI-SXGWCWSVSA-N	322.412	3.801	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1ccccc1F)C1CCCCC1	916335429	MEYXJLQDPHFSIB-CYBMUJFWSA-N	306.381	3.665	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(-c2ccccc2F)o1	917023627	ZRQCDIPKVXZKDO-UHFFFAOYSA-N	304.321	3.944	50	20	DHGD	
Cc1cc(C)cc(C(=O)/C(C#N)=C2\COc3ccc(F)cc32)c1	918714444	VSBQQMOERVXKTK-WUKNDPDISA-N	307.324	3.995	50	20	DHGD	
COc1ccc(C(=O)NN=C2CCC[C@@H]2Cc2ccccc2)cc1	1322974421	IIXWQOPXVSFHFS-QGZVFWFLSA-N	322.408	3.824	50	20	DHGD	
O=C(c1cccc(CCl)c1)N1CCC[C@@]2(CCSC2)C1	1358288626	UTTBSIQAHGMGLX-MRXNPFEDSA-N	309.862	3.785	50	20	DHGD	
C[C@H]1CC(=NNC(=O)Nc2ccc(C(=O)O)cc2)CC(C)(C)C1	1776044831	URPMNIYVGPNIOX-NSHDSACASA-N	317.389	3.709	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C\c3csc(C(=O)O)c3)[nH]c12	1777448230	DXGQJGRCFVZQKC-WZUFQYTHSA-N	309.350	3.695	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1ccc2ccccc2c1	78262626	JUJOECYLUGDBOV-CPNJWEJPSA-N	322.408	3.678	50	20	DHGD	
Cn1c(/C(C#N)=C\c2c[nH]nc2C(C)(C)C)nc2ccccc21	98124993	WQSOEYBNPQJHDG-XFXZXTDPSA-N	305.385	3.658	50	20	DHGD	
N#CC1(C(=O)NNc2c(Cl)cccc2Cl)CCCCC1	133118218	YPOYSGAUGPQUHP-UHFFFAOYSA-N	312.200	3.911	50	20	DHGD	
O=C(NNc1ccncc1Cl)[C@@H]1C[C@H]1c1cccc(Cl)c1	154762779	VJIDFXQRJZMJMF-NWDGAFQWSA-N	322.195	3.635	50	20	DHGD	
O=C(NNc1ccccc1Cl)[C@H]1SCCc2sccc21	158566257	XIPMMOOONLWAPT-ZDUSSCGKSA-N	324.858	3.875	50	20	DHGD	
CC[C@@H](NC(=O)NNc1ccccc1)c1ccc(F)cc1F	162000102	HUEHDUYTPVTBGY-OAHLLOKOSA-N	305.328	3.742	50	20	DHGD	
CC(C)n1cc(/C=C(\C#N)C(=O)c2c[nH]c3ccccc23)cn1	171981430	GQSMWWSHPDFCFU-VGOFMYFVSA-N	304.353	3.735	50	20	DHGD	
CC(C)(C)C[C@@H](O)CNC(=O)CCCC[C@@H]1CCSS1	172308065	AYPQJRBDAPOAAH-CHWSQXEVSA-N	319.536	3.614	50	20	DHGD	
O=C(NNc1ccccn1)Nc1ccccc1CCC(F)(F)F	180573848	ICZLJGVQTXZEBE-UHFFFAOYSA-N	324.306	3.725	50	20	DHGD	
N#C/C(=C\c1nccn1-c1ccccc1)C(=O)c1ccsc1	191271917	ZYMUFMHPRDZUMC-GXDHUFHOSA-N	305.362	3.724	50	20	DHGD	
CCCC[C@H](NC(=O)/C(C#N)=C\c1ccc(O)cc1)C1CCC1	194740912	AQZLDBKLNWFYFS-XOQYZJNISA-N	312.413	3.774	50	20	DHGD	
COCC[C@@H](NC=C(C#N)C#N)c1ccc(Cl)c(Cl)c1	283843676	HKAUKZBULIIJGT-CQSZACIVSA-N	310.184	3.592	50	20	DHGD	
COc1cccc([C@@H](C)NC(=O)/C(C#N)=C\c2ccc(F)cc2)c1	490839069	CAHQVHRBFDOLLB-YDRQLGOLSA-N	324.355	3.619	50	20	DHGD	
CCOC(=O)/C(C#N)=C/N[C@H](C)c1ccc(SC(C)C)cc1	728853937	DPADMYBZINQBOX-WDGDVPDHSA-N	318.442	3.808	50	20	DHGD	
C[C@H]1C[C@@H]1c1ccc(C=NNC(=O)c2cccc(Cl)c2)o1	732763668	JMMUZVNQSXJRST-HZMBPMFUSA-N	302.761	3.820	50	20	DHGD	
CC[C@H](CC1CCCCC1)C(=O)NNC(=O)c1ccccc1C	733949765	VRPGBKNSCRWZRH-MRXNPFEDSA-N	316.445	3.753	50	20	DHGD	
N#Cc1csc(C=NNC(=O)c2cccc3ccccc23)c1	748075716	KZUHNBBSJOPCOK-UHFFFAOYSA-N	305.362	3.537	50	20	DHGD	
O=C(NNc1ccnc2cc(Cl)ccc12)C12CCC(CC1)C2	753401550	XAYCKDSKUQYEFU-UHFFFAOYSA-N	315.804	3.912	50	20	DHGD	
O=C(NN=C[C@H]1C[C@H]2C=C[C@H]1C2)c1ccc(Cl)cc1Cl	755582154	SHWQHGZGELTHQO-GARJFASQSA-N	309.196	3.921	50	20	DHGD	
CC(C)(C=NNC(=O)COc1ccc2ccccc2c1)CCC#N	755627271	IIBXQHSBZPIDLO-UHFFFAOYSA-N	323.396	3.651	50	20	DHGD	
Cc1cc(C)c(NNC(=O)c2ccc(Cl)c(C#N)c2)c(C)c1	758300547	XVVBAMMEIDIXHX-UHFFFAOYSA-N	313.788	3.894	50	20	DHGD	
O=C(NNc1c(F)cccc1Cl)c1cncc2ccccc12	770197236	ATVKQLPEWXPNMY-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
Cc1nc(C(=O)NNc2ccc(Cl)cc2Cl)sc1C	770648080	DRMLRMIXJVHSEV-UHFFFAOYSA-N	316.213	3.824	50	20	DHGD	
O=C(C=C1CCCC1)NNc1ccc(Br)c(F)c1	771691785	TWZARCGDZKMCCZ-UHFFFAOYSA-N	313.170	3.532	50	20	DHGD	
COC1(C(=O)NNc2ccc(Cl)cc2Cl)CCCCC1	773456720	ZCAIFFTXWNEXDQ-UHFFFAOYSA-N	317.216	3.786	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1[N+](=O)[O-])C1=CCCCCC1	775792453	GLPFKQLASCNTRR-UHFFFAOYSA-N	309.753	3.582	50	20	DHGD	
O=C(NNc1ccccc1)N[C@@H](C1CCCCC1)C(F)(F)F	775996313	YJDGZKIQOYLLRH-ZDUSSCGKSA-N	315.339	3.824	50	20	DHGD	
CC(C)[C@@H](NC(=O)/C(C#N)=C/c1ccc(O)cc1)c1ccccc1	776612713	FCGWRVWEWZLFCN-XYSGSMRZSA-N	320.392	3.813	50	20	DHGD	
N#C/C(=C/c1ccc2cnccc2c1)C(=O)NC1CCCCC1	779751609	LGFYRCQAAGBLLQ-BOPFTXTBSA-N	305.381	3.591	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)COC2CCCCC2)cc1	780805061	PDZONBNMZALCNS-UHFFFAOYSA-N	304.434	3.777	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)NCC2CC(C)(C)C2)cc1	781847014	ZRDAJGRGJLFELH-SXGWCWSVSA-N	312.413	3.545	50	20	DHGD	
O=C(Cn1ccc2ccccc21)NN=Cc1cc(Cl)cs1	782229313	BXEFYDVPMLFZAR-UHFFFAOYSA-N	317.801	3.507	50	20	DHGD	
CSSCCNC(=S)Nc1ccc(C#N)c(Cl)c1	789323393	BLDRMGUROXKGMK-UHFFFAOYSA-N	317.892	3.509	50	20	DHGD	
N#C/C=C(\c1ccc(F)cc1)N1CCC2(CCOCC2)CC1	792934310	UURHYXWEEGTAEC-YAXRCOADSA-N	300.377	3.583	50	20	DHGD	
Cc1cc(C)c(C(=O)O)cc1/C=C(/C#N)c1nc2ccccc2[nH]1	794925686	CRFSBIIBNAVQAQ-ZSOIEALJSA-N	317.348	3.942	50	20	DHGD	
Cc1nc(-c2ccc(C(=O)NN(C)c3ccccc3)cc2)cs1	799831738	NGAHBOJMUAINED-UHFFFAOYSA-N	323.421	3.900	50	20	DHGD	
C[C@@H](Cn1ccc2ccccc21)C(=O)NNc1cccc(F)c1	802825075	JONUOROZRNRWQD-ZDUSSCGKSA-N	311.360	3.560	50	20	DHGD	
Cc1cc(Cl)cc(C(=O)NNc2ccc([N+](=O)[O-])cc2C)c1	805373681	YPUFGGUHBCAIAT-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
N#C/C=C(/c1ccccc1)N1CCCN2c3ccccc3C[C@H]2C1	810051953	PRLGVOCXYRDUKG-WKRCLWGVSA-N	315.420	3.688	50	20	DHGD	
CC1CC(=NNC(=O)COc2ccccc2-c2ccccc2)C1	814718534	APMAMRAOSMKHIC-UHFFFAOYSA-N	308.381	3.635	50	20	DHGD	
O=C(NN=C1CC(c2ccccc2)C1)c1cccc2cccnc12	814824306	QVPCODMMWCHUHJ-UHFFFAOYSA-N	315.376	3.898	50	20	DHGD	
COCC(C)(C)N(C)C(=O)CCCC[C@@H]1CCSS1	817030528	WUSGERUUPDWRCL-GFCCVEGCSA-N	305.509	3.584	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2ccc(N)nc2)cc1	821027725	JDZGHDFQKWXQJF-LFIBNONCSA-N	320.396	3.552	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)NCCCc1ccco1	823630762	CMBUNFPVZAXAMA-UHFFFAOYSA-N	307.781	3.500	50	20	DHGD	
C[C@H]1Cc2cc(C(=O)NNc3cccc4c3CCCC4)ccc2O1	830802351	ZQBGMPBBPJPEFW-ZDUSSCGKSA-N	322.408	3.646	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)c1ccn(C2CCCC2)n1	836934179	QHJYEGDQCPLDSO-UHFFFAOYSA-N	318.808	3.717	50	20	DHGD	
CCNc1nc(C)c(C(=O)NNc2ccc(C(C)C)cc2)s1	839788552	KTAGDBKCTHDYIE-UHFFFAOYSA-N	318.446	3.764	50	20	DHGD	
CCNCC1CCN(Cc2ccc(OCCCCl)cc2)CC1	843056221	WUCQWRWUCFVKON-UHFFFAOYSA-N	324.896	3.516	50	20	DHGD	
CC(C)OCCCNC(=O)/C(C#N)=C/c1cccc(C(C)C)c1	853003787	PXWQKDDRKSQBEC-LDADJPATSA-N	314.429	3.648	50	20	DHGD	
C[C@H](NNC(=O)[C@H]1C[C@H]1c1ccc2ccccc2c1)C(F)(F)F	862312751	SXGUVDWPPRHIDD-LKTVYLICSA-N	322.330	3.515	50	20	DHGD	
CCC(CC)Oc1ccc(C(=O)NNc2cccc(C)n2)cc1	862519375	CYZSQEYMXNELAT-UHFFFAOYSA-N	313.401	3.714	50	20	DHGD	
CCO[C@@H]1CCCC(=NNC(=O)c2ccc3ccccc3c2)C1	905435800	FVALVUZHTNXDFL-GOSISDBHSA-N	310.397	3.905	50	20	DHGD	
C[C@@H]1CCCC[C@@H]1NC(=O)/C(C#N)=C\c1ccc2ncccc2c1	916140221	GNHSEGGVTKVIFD-LSNCNBQFSA-N	319.408	3.837	50	20	DHGD	
CC(=NNC(=O)c1ccccc1F)c1cccc(OC(F)F)c1	916291029	JQULCOYGFNKIAZ-UHFFFAOYSA-N	322.286	3.581	50	20	DHGD	
CCCCOc1ccc(C(=O)NN=C(C)CCC)cc1OC	916348143	UIKDDSMTJNPBRO-UHFFFAOYSA-N	306.406	3.780	50	20	DHGD	
CCCCCCC(C)=NNC(=O)Cn1c(C)nc2ccccc21	917572203	RYLHNOKOWSLJKT-UHFFFAOYSA-N	314.433	3.807	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)N[C@H](C)c1c(C)noc1C	918660237	ZSACLTKZCHYGCW-SECBINFHSA-N	322.796	3.641	50	20	DHGD	
CN(N=Cc1ccc2c(c1)CCC(C)(C)O2)C(=O)OC(C)(C)C	920378277	RHXRGIJAFKFIKO-UHFFFAOYSA-N	318.417	3.991	50	20	DHGD	
O=C(NCc1csc(-c2ccco2)n1)C1CCC(Cl)CC1	1346686461	CRFMFQAXZSZGDG-UHFFFAOYSA-N	324.833	3.817	50	20	DHGD	
CCCn1cc(/C=C(/C#N)C(=O)Nc2ccc(CC)cc2)c(C)n1	1347734702	BNHRJHDNYGRGTP-WJDWOHSUSA-N	322.412	3.710	50	20	DHGD	
COCCn1c(C)cc(/C=C(\C#N)c2nc(C)cs2)c1C	32534674	RPGFHHMMFDXQRH-OVCLIPMQSA-N	301.415	3.580	50	20	DHGD	
C#CCOc1ccccc1/C=C(\C#N)C(=O)c1sccc1C	55040855	MZSJNVZVLWQGLS-RVDMUPIBSA-N	307.374	3.858	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccc(OC(F)(F)F)cc2)c1	72514576	BVOSANOACZQOLE-UHFFFAOYSA-N	310.275	3.651	50	20	DHGD	
O=C(CSc1ccc(Cl)cc1)NNc1ccccc1F	152972298	NSPXSNSYBXBUAP-UHFFFAOYSA-N	310.781	3.715	50	20	DHGD	
C/C(=C/C(=O)NNC(=S)Nc1cccc(C)c1C)C(C)(C)C	153098366	FZGPISANGAXIIO-BENRWUELSA-N	319.474	3.613	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccccc1OC1CCC1	154827241	CPLWIQGUPIBVFQ-UHFFFAOYSA-N	300.333	3.514	50	20	DHGD	
O=C(NNc1cccc(F)c1)C1(c2cccc(F)c2)CCCC1	154979981	IDSFGDFAPAGMSL-UHFFFAOYSA-N	316.351	3.920	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(C#N)cc1)c1ccc(Cl)s1	155522207	XMSHLBJBOOXVEO-SECBINFHSA-N	305.790	3.520	50	20	DHGD	
O=C(NNc1cc(F)c(F)c(F)c1)[C@@H](c1ccccc1)C1CC1	158963665	NTAYIYYGCWVPSO-HNNXBMFYSA-N	320.314	3.741	50	20	DHGD	
CC(C)(C)SCCCC(=O)NNc1cc(F)c(F)c(F)c1	161163540	DTRWSUZTAQQQQM-UHFFFAOYSA-N	320.380	3.859	50	20	DHGD	
Cc1cccc(C(=O)NNc2ccc(Br)cc2)c1F	177849795	WYOHSTVKOAMBAC-UHFFFAOYSA-N	323.165	3.654	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C\c2ccc(N3CCCC3)nc2)cc1	184838453	BEKDPKDWMSVZFL-PDGQHHTCSA-N	317.392	3.780	50	20	DHGD	
CCCn1nc(C)c(/C=C(\C#N)c2cnc3ccccc3n2)c1C	191351384	YXJBVHYQRFAOLK-XNTDXEJSSA-N	317.396	3.917	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2cccc(F)c2F)cc1	209916031	HCCHVCCIMDQANQ-FMIVXFBMSA-N	314.291	3.519	50	20	DHGD	
O=C(NNc1ccncc1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2	248414783	NETNPEDPKKONNO-ZWOKBUDYSA-N	321.424	3.574	50	20	DHGD	
CC(C)(C)c1csc(NC(=O)/C(C#N)=C\c2ccco2)n1	490563076	HDXKHAPIXCNCIL-YFHOEESVSA-N	301.371	3.579	50	20	DHGD	
O=C(/C=C\c1cccc(O)c1)NNc1c(Cl)cccc1Cl	492737322	PKRKLADXQMBUIM-FPLPWBNLSA-N	323.179	3.856	50	20	DHGD	
CCCC1CCC(=NNC(=O)CCc2ccccc2O)CC1	729935193	MQKLFXCVFUTGFV-UHFFFAOYSA-N	302.418	3.787	50	20	DHGD	
CC1=CC(=NNC(=O)CCc2ccccc2O)CC(C)(C)C1	729935214	NQHBVHHRNACDNU-UHFFFAOYSA-N	300.402	3.563	50	20	DHGD	
O=C(NN=C1CCC[C@@H]1c1ccccc1)c1cccc([N+](=O)[O-])c1	732527023	DVCWCPPYWQLLDL-MRXNPFEDSA-N	323.352	3.648	50	20	DHGD	
C[C@@H](CCC1CCCCC1)NC(=O)NNC(=O)CC(C)(C)C	734536571	NYTDIHJOFIXPIY-ZDUSSCGKSA-N	311.470	3.502	50	20	DHGD	
Cc1ccc(C=NNC(=O)Nc2ccc(N(C)C)cc2)cc1C	741764930	GCOMKBGMIZGEJU-UHFFFAOYSA-N	310.401	3.525	50	20	DHGD	
COc1ccccc1C(=O)NN=C(C)c1coc2ccccc12	747750041	FMPMTWODATUIGR-UHFFFAOYSA-N	308.337	3.595	50	20	DHGD	
Cc1cc(O[C@@H](C)C(=O)NNc2cccc(F)c2)ccc1Cl	748088269	HMWONEFSBKRZIJ-NSHDSACASA-N	322.767	3.698	50	20	DHGD	
O=C(NNc1cccc2cnccc12)c1cc2occc2s1	748769828	RCHCRVMGWWZBJV-UHFFFAOYSA-N	309.350	3.799	50	20	DHGD	
CC1(C)CCCC1=NNC(=O)c1ccc(Br)s1	749854818	YLGHVZCFSVLNQO-UHFFFAOYSA-N	315.236	3.807	50	20	DHGD	
CCC(=NNC(=O)c1cccc([N+](=O)[O-])c1)C1CCCCC1	750911495	FGADIILSUMQDKA-UHFFFAOYSA-N	303.362	3.671	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)Nc1ccccc1	754004511	JIIHOQQKTQRGAW-UHFFFAOYSA-N	313.254	3.993	50	20	DHGD	
COc1cc(F)cc(NNC(=O)[C@H]2[C@H](C=C(C)C)C2(C)C)c1	759321768	NMRSLBWFVXKILO-LSDHHAIUSA-N	306.381	3.516	50	20	DHGD	
C[C@H]1CCC[C@@H](C(=O)NNc2ccc(OC(F)(F)F)cc2)C1	761590591	CFOAMDGKGDAFRY-WDEREUQCSA-N	316.323	3.855	50	20	DHGD	
C/C(=C/C(=O)NNc1ncccc1C(F)(F)F)C(C)(C)C	762813899	QGYNBOVQRNWHND-HJWRWDBZSA-N	301.312	3.536	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccccc2OC(F)F)cn1	764886113	LMCFAYUTLIWVHE-MDWZMJQESA-N	314.291	3.781	50	20	DHGD	
CCCCOC(=O)/C(C#N)=C/c1ccccc1OC(F)(F)F	767899465	IHLORJRHYVKUEY-FMIVXFBMSA-N	313.275	3.835	50	20	DHGD	
Cc1ccc(C=NNC(=O)[C@@H](C)Oc2cccc(Cl)c2)cc1	773103844	NMQYDIGTISMJCP-CYBMUJFWSA-N	316.788	3.566	50	20	DHGD	
CC#CCCNC(=O)NNc1c(Cl)cc(Cl)cc1Cl	776204544	DXKPPDNJBSUFKJ-UHFFFAOYSA-N	320.607	3.686	50	20	DHGD	
Cc1cccc(NC(=O)NNc2ncccc2C(F)(F)F)c1C	778219608	KFKKQBHHLFUYAY-UHFFFAOYSA-N	324.306	3.866	50	20	DHGD	
CC[C@@H](C)[C@H](C)C(=O)NNc1nc2ccc(OC)cc2cc1C	780743205	VJPSCPDUZJVMLI-YPMHNXCESA-N	315.417	3.677	50	20	DHGD	
C[C@H]1CC[C@@H](C)N1[C@H](C)C(=O)NNc1ccc(C(C)(C)C)cc1	780803940	SHFKHEIPYZBDLR-QLFBSQMISA-N	317.477	3.689	50	20	DHGD	
CC1(C)CCC[C@@H](NC(=O)/C(C#N)=C/c2ccc(F)cc2)C1	785639520	YZHSFKAZKREKPH-HFQYIWAZSA-N	300.377	3.818	50	20	DHGD	
Cc1coc(C)c1C(=O)NNc1ccc(OC(F)(F)F)cc1	786426538	IOMBIWREGKXITH-UHFFFAOYSA-N	314.263	3.552	50	20	DHGD	
C[C@@H](C=NNC(=O)NCC1CC1)c1ccc(C(F)(F)F)cc1	789001429	YIMYQQPIIHFLKH-JTQLQIEISA-N	313.323	3.504	50	20	DHGD	
O=C(NNc1cc(Cl)cc(Cl)c1)c1cccc(Cl)n1	791733554	FFAMUEHVQVODOV-UHFFFAOYSA-N	316.575	3.799	50	20	DHGD	
C[C@@H](CBr)CN1CCC(CC(F)(F)F)CC1	792933732	LWIQHIYKRRXKKH-VIFPVBQESA-N	302.178	3.682	50	20	DHGD	
CCOC(=O)/C(C#N)=C/Nc1ccccc1-c1csc(C)n1	794846823	DVWZLFRLZUDUIH-FMIVXFBMSA-N	313.382	3.501	50	20	DHGD	
C=C(CBr)COC(=O)c1ccc2nc(C)ccc2c1	795562427	UFSKCQQBOGYLDY-UHFFFAOYSA-N	320.186	3.651	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)c1ccc(F)c2ccccc12	817004774	PGOJBWQGWOBMOQ-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
C[C@@H]1CCC[C@]1(C)C(=O)NNc1ccccc1Br	827506441	RVIGSXILQFZVSE-YGRLFVJLSA-N	311.223	3.719	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)[C@H](C)CCC(C)(C)C)c1F	837061776	RRDJQKCTTLCJEM-LLVKDONJSA-N	324.396	3.518	50	20	DHGD	
Cc1csc([C@@H](C)NC(=O)NNc2ccc(C(C)C)cc2)n1	838227335	CGDUZUPGBYGHLZ-GFCCVEGCSA-N	318.446	3.962	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C\c2cc(C)n(C)n2)cc1	840716095	UEBZVHZADWQVRP-VBKFSLOCSA-N	322.412	3.617	50	20	DHGD	
CCC(CC)(C(=O)NNc1cccc(C)c1)C(=O)OC(C)(C)C	846630870	JAYZKKSPGPPHJK-UHFFFAOYSA-N	320.433	3.586	50	20	DHGD	
CCCOc1ccc(/C=C(\C#N)C(=O)[C@H]2CCCOC2)c(C)c1	849178008	BESMEEDGNJLWMC-KTZOAPACSA-N	313.397	3.687	50	20	DHGD	
CCC[C@@H](C)C(=O)/C(C#N)=C\c1ccc(C(=O)OC)c(F)c1	849245285	QEUBEADUJRGBKP-JYVXZMADSA-N	303.333	3.525	50	20	DHGD	
Cc1nocc1CN1CCC[C@H](O[Si](C)(C)C(C)(C)C)C1	852167103	WQPHFWFXVZXMEN-HNNXBMFYSA-N	310.514	3.969	50	20	DHGD	
Cc1ccc(F)cc1NNC(=O)[C@@H]1CCC[C@@H](C(F)(F)F)C1	855367805	SBLFXUCSCPZVRN-GHMZBOCLSA-N	318.314	3.946	50	20	DHGD	
C[C@H]1CC[C@H](C(=O)NNc2nc3ccc(Cl)cc3s2)C1	856235007	OXFNAWUMGCCYMF-IUCAKERBSA-N	309.822	3.829	50	20	DHGD	
CCCC[C@@](C)(F)C(=O)NNc1nc(C(F)(F)F)cs1	857148402	CAQLUBPKDRISER-SNVBAGLBSA-N	313.320	3.523	50	20	DHGD	
Cc1ccc(C(=O)NC[C@@]2(C)C[C@H]2Br)c(Cl)c1	857391883	VEROLJXLHFLJIX-DGCLKSJQSA-N	316.626	3.552	50	20	DHGD	
O=C(NCC(Cl)Cl)Nc1ccc(CC(F)(F)F)cc1	878791600	AQJXIDKTQYDFPU-UHFFFAOYSA-N	315.122	3.717	50	20	DHGD	
O=C(NCCCc1ccccc1)NNc1ccccc1Cl	915885757	JKOHXZWECVIMBO-UHFFFAOYSA-N	303.793	3.599	50	20	DHGD	
CC(=NNC(=O)c1cc(-c2ccccc2)[nH]n1)C1CCCCC1	915912078	JTCZDXQYIYJOTP-UHFFFAOYSA-N	310.401	3.763	50	20	DHGD	
O=C(NN=Cc1ccccc1)c1ccc(COc2ccccc2)o1	916360148	JEOMPLGYZQYFOZ-UHFFFAOYSA-N	320.348	3.623	50	20	DHGD	
O=C(NCC1CC1)NN=Cc1ccc(-c2ccc(F)cc2)s1	920828350	FJNBPUJYWYFYCD-UHFFFAOYSA-N	317.389	3.597	50	20	DHGD	
COc1ccc(C(=O)NN=Cc2c(C)cc(Cl)cc2C)cc1	1253671909	SAOXEPDAHWJFKF-UHFFFAOYSA-N	316.788	3.729	50	20	DHGD	
O=C(NNc1ccccn1)c1ccc(-c2cccs2)s1	1320022284	KXCCZHIZGWKVLB-UHFFFAOYSA-N	301.396	3.629	50	20	DHGD	
COc1cc(/C=C(\C#N)C(=O)c2ccc(C)s2)ccc1F	1341110650	IDUAWTNMZZUJOJ-KPKJPENVSA-N	301.342	3.994	50	20	DHGD	
Nc1ccc(CNC(=O)CCCC[C@H]2CCSS2)cc1	1342699683	NKGDEARMWYCLDR-AWEZNQCLSA-N	310.488	3.599	50	20	DHGD	
CCO/C=C(/C#N)c1nnc([C@H](C)Oc2cccc(Cl)c2)o1	1348930561	JIWMWZVKAZKPTM-RGAIUGGKSA-N	319.748	3.764	50	20	DHGD	
O=C(N[C@H]1C[C@H](c2ccccc2F)C1)C1CCC(Cl)CC1	1521555980	WDLCTVIIUDLMNB-VKNLNRKYSA-N	309.812	3.986	50	20	DHGD	
Cc1nc(CNC(=O)CCCC[C@H]2CCSS2)oc1C	1528910714	OBKNENDSSYCGPP-LBPRGKRZSA-N	314.476	3.622	50	20	DHGD	
CC[C@@H](C)c1ccc(C(=O)NNc2ccccc2C(=O)O)cc1	1604973280	RQICSBQYZZGSIB-GFCCVEGCSA-N	312.369	3.655	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(F)cc2F)oc2ccccc12	66325834	MWPVUQLTBVSMBX-UHFFFAOYSA-N	302.280	3.776	50	20	DHGD	
CS[C@H](C)CC(=O)NNc1c(Cl)cc(F)cc1Cl	124376506	BZEHUOBYQDKDAO-ZCFIWIBFSA-N	311.209	3.717	50	20	DHGD	
CC[C@H](C(=O)NNc1cc(F)cc(OC)c1)c1ccc(F)cc1	127849194	KVUTZCYKPJNBNQ-INIZCTEOSA-N	320.339	3.610	50	20	DHGD	
COc1ccccc1C(=O)NNc1c(Cl)cccc1Cl	132904862	LQIYBQDNYMXANG-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CN(C(=O)/C(C#N)=C/c1cnc(C2CCC2)s1)c1ccccc1	155226877	FGNHIGXFBPSCRF-GXDHUFHOSA-N	323.421	3.981	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc3ccccc3n2)cc(C)c1F	181091381	DHUAMAOQIMAPGD-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCO/C=C(\C#N)C(=O)N[C@H](c1ccc(Cl)cc1F)C(C)C	184003341	UCOKBQPHHPCVNA-GDXASINISA-N	324.783	3.736	50	20	DHGD	
CCC1=C(C(=O)NNc2ccccc2C(F)(F)F)CCCO1	191724567	AXSZWGOHXNMBFI-UHFFFAOYSA-N	314.307	3.623	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)c1nc2ccccc2s1	192884826	GXMIMLSCKFRFQG-UHFFFAOYSA-N	303.774	3.707	50	20	DHGD	
N#C/C(=C\c1cc(F)c(O)c(F)c1)C(=O)c1cc(F)cc(F)c1	194539701	YJKKTCVUDRQOPR-BCTAIJSYSA-N	321.229	3.738	50	20	DHGD	
C[C@H](CBr)CN1C[C@H](C)O[C@@H](c2ccsc2)C1	248697253	JZIUHCKCYAKNHQ-NTZNESFSSA-N	318.280	3.541	50	20	DHGD	
N#C/C(=C\c1csnn1)C(=O)c1cc(Cl)cc(Cl)c1	255639204	PZHBEQIPJUOXSO-FPYGCLRLSA-N	310.165	3.635	50	20	DHGD	
N#C/C(=C\c1cc(Cl)cc(Cl)c1)C(=O)[C@H]1CCCOC1	281182780	QQZQZXRBPVFBRK-ZFSPTPKQSA-N	310.180	3.896	50	20	DHGD	
CSSCCNC(=O)N(C)[C@H](C)c1ccc(F)c(F)c1	283822823	DSNAKSOVFOMNMK-SECBINFHSA-N	320.430	3.678	50	20	DHGD	
CSSCCNC(=O)Nc1c(C)cccc1OC(F)F	284488280	BKPAVOFVMVBZGN-UHFFFAOYSA-N	322.402	3.729	50	20	DHGD	
C=CCCCCCCNC(=O)c1c(C)nn(CCCl)c1C	287130615	QVKPDTMFJJSFHJ-UHFFFAOYSA-N	311.857	3.605	50	20	DHGD	
C[C@@H]1[C@@H](N2CCCC2)CCN1CCO[Si](C)(C)C(C)(C)C	377524940	PMPZWHQHHRKTSA-CVEARBPZSA-N	312.574	3.567	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)c2ccoc2C)c2c(c1)C[C@@H](C)O2	728439130	FLDSOOPUFZOPOH-LYGDGENHSA-N	323.348	3.710	50	20	DHGD	
CC(C)(C)CC(=NNC(=O)Cc1cccnc1)c1ccccc1	728786385	IUNDYVDSLMASKS-UHFFFAOYSA-N	309.413	3.581	50	20	DHGD	
COc1ccc(C(=O)NNc2cccc(Cl)c2)c(Cl)c1	731000878	PYXIHXZZNYIOGQ-UHFFFAOYSA-N	311.168	3.759	50	20	DHGD	
CC(C)n1cc([C@@H](C)NC(=O)NNc2ccccc2Cl)cn1	732892308	ASHVZZYIHYECBK-LLVKDONJSA-N	321.812	3.505	50	20	DHGD	
O=C(CNc1cccc(Cl)c1)NNc1cccc(Cl)c1	733949844	AVTREIHUMABZNX-UHFFFAOYSA-N	310.184	3.549	50	20	DHGD	
N#C/C(=C/c1occc1Br)C(=O)c1ccccc1F	735304703	MXKJPSUCVNAWTI-CLFYSBASSA-N	320.117	3.971	50	20	DHGD	
Cc1cc([N+](=O)[O-])c(C)cc1OC(=O)Cc1cc(F)ccc1F	744034844	DQKRRCWAYMVFSY-UHFFFAOYSA-N	321.279	3.638	50	20	DHGD	
COc1ccc([C@@H](C)NC(=O)NNc2ccccc2Cl)cc1	746961923	CZUMOJFBXZBPJR-LLVKDONJSA-N	319.792	3.736	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)c1cccc(Cl)c1	747045500	BYJPYXWFFVQNIT-UHFFFAOYSA-N	315.735	3.724	50	20	DHGD	
Cc1c(C(=O)NNc2ccc(Cl)cc2)cnc2ccccc12	749276056	CIXDCZLLKHGXPQ-UHFFFAOYSA-N	311.772	3.954	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)[C@@H]1C[C@]12CCc1ccccc12	749284314	QWJOCWUHNLPEQL-WMZOPIPTSA-N	312.800	3.687	50	20	DHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2CC(=O)NNc1cccc(C#N)c1	754274266	KRHAXYXBCQQXTC-HOCLYGCPSA-N	319.408	3.991	50	20	DHGD	
C=CCOC(=O)/C(C#N)=C\c1cc(-c2ccccc2)ccc1OC	756789567	YPAYJRLUFXDEAY-AQTBWJFISA-N	319.360	3.998	50	20	DHGD	
O=C(NNc1ccccc1)Nc1ccccc1OC(F)(F)F	762235605	URSUFUIGZPMJEG-UHFFFAOYSA-N	311.263	3.734	50	20	DHGD	
CC[C@@H](C)C(=O)NN=C(C)c1cc(Cl)c(Cl)cc1O	766011704	RMGCLZPAMWVWSM-SSDOTTSWSA-N	303.189	3.585	50	20	DHGD	
CC(C)(C)[C@H](Br)C(=O)NC[C@H]1CCc2ccccc21	768079086	QAMOEIMTJXNOHA-TZMCWYRMSA-N	324.262	3.642	50	20	DHGD	
Cc1cc2ccccc2nc1NNC(=O)CCc1ccccc1F	777479141	VBILFHOUUKYIIP-UHFFFAOYSA-N	323.371	3.758	50	20	DHGD	
C=CC[C@H](C(=O)NNc1ccc(F)c(F)c1F)c1ccccc1	779010351	MMMCYCLTDVPZMV-LBPRGKRZSA-N	320.314	3.907	50	20	DHGD	
CSSCCNC(=O)c1ccc(Oc2ccccc2)o1	791100035	NBILJOBJMQZKBS-UHFFFAOYSA-N	309.412	3.813	50	20	DHGD	
Cc1c(C=NN(C)C(=O)OC(C)(C)C)n(C)c2ccccc12	814813562	SQHUFCUOAUOCMS-UHFFFAOYSA-N	301.390	3.688	50	20	DHGD	
CC[C@@H](C(=O)NN=C(C)Cc1ccc(O)cc1)c1ccccc1	814844876	BXQBVGVPZIZODO-GOSISDBHSA-N	310.397	3.621	50	20	DHGD	
Cc1ccc(F)c(NNC(=O)c2ccc3cc(C)ccc3n2)c1	815856365	JEVCGEVPYGEAOW-UHFFFAOYSA-N	309.344	3.748	50	20	DHGD	
CCSCc1ccc(C(=O)NNc2cccc(Cl)n2)cc1	817006327	GFYPINOJFUZNLF-UHFFFAOYSA-N	321.833	3.745	50	20	DHGD	
CC(C)C[C@H](NS(=O)(=O)CCl)c1ccc(Cl)cc1	830667820	IQEIFGFGRNVCLN-LBPRGKRZSA-N	310.246	3.543	50	20	DHGD	
COc1ccc(C)cc1CC(=O)NNc1ccc(C(C)C)cc1	837059014	YFJXAPHLKDSUEC-UHFFFAOYSA-N	312.413	3.813	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccc(F)cc2)s1)c1ccc[nH]1	839407974	ZXBAGCVMBJWPOB-UHFFFAOYSA-N	313.357	3.646	50	20	DHGD	
C[C@@H](C=NNC(=O)OCC(F)(F)F)CCc1ccccc1	853430752	OFVADIGBSWCEDF-LLVKDONJSA-N	302.296	3.530	50	20	DHGD	
CC(C)(CCCc1ccccc1)C(=O)NCCCSC#N	854362272	IBOYHDQGPBPCPJ-UHFFFAOYSA-N	304.459	3.756	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc3c2CCCC3)cc1F	856231326	XGYZAQHBLMISKJ-UHFFFAOYSA-N	304.390	3.831	50	20	DHGD	
CC(C)(C)c1cnc(CNC[C@]2(C)C[C@@H]2Br)s1	856809117	JOCCLDGRPPNOBL-ZANVPECISA-N	317.296	3.704	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C\c1ccc(C(F)(F)F)cc1[N+](=O)[O-]	864366124	KSBVDUFBOVHQBW-YHYXMXQVSA-N	312.247	3.746	50	20	DHGD	
CCCCCC[C@H](C)NC(=O)NNc1cccc([N+](=O)[O-])c1	915887743	JQCQCKMWKWGDBL-LBPRGKRZSA-N	308.382	3.580	50	20	DHGD	
CN(C)c1cccc(C(=O)NN=C2CC[C@@H]3CCCC[C@H]3C2)c1	916281179	SCJYADOWMAVBOI-GJZGRUSLSA-N	313.445	3.829	50	20	DHGD	
O=C(COc1ccccc1F)NN=C1CC[C@@H]2CCCC[C@@H]2C1	916300416	FCPNMJDMJINDBE-UONOGXRCSA-N	318.392	3.667	50	20	DHGD	
Cc1ccccc1NC(=O)NN=C/C=C/c1ccccc1[N+](=O)[O-]	916661919	FTKQNCANGDNPIN-ODGAGTQYSA-N	324.340	3.724	50	20	DHGD	
CCOc1ccc(/C=C(/C#N)C(=O)OCCCC(C)C)cc1	918495290	HKDOOVPAXVHBGB-VBKFSLOCSA-N	301.386	3.972	50	20	DHGD	
O=C(NNc1cccc(Cl)c1)Nc1cnn(C2CCCC2)c1	932883383	CFSPZEZNVYHDNC-UHFFFAOYSA-N	319.796	3.800	50	20	DHGD	
C[C@@]1(COC(=O)c2nccc3ccccc23)C[C@H]1Br	1344048852	NPRUONCUTCNNBC-DOMZBBRYSA-N	320.186	3.565	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C/c2ccccc2F)cc1	6947371	IXSKJSLEESQLQV-SDNWHVSQSA-N	310.328	3.770	50	20	DHGD	
COc1ccc(NC(=O)NNc2ccccc2F)cc1Cl	91986020	DRGSLLZFTFXBAS-UHFFFAOYSA-N	309.728	3.636	50	20	DHGD	
N#C/C(=C/c1ccc(-c2ccc(F)cc2)o1)C(=O)N1CCCC1	98035299	DKMACXYHVGKCHI-KAMYIIQDSA-N	310.328	3.615	50	20	DHGD	
CCO[C@@H](C(=O)NNc1cccc2c1CCCC2)c1ccccc1	120118913	OWGBYKPOALMENW-LJQANCHMSA-N	324.424	3.786	50	20	DHGD	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)NC1CCCCC1	132453213	MJRFJROVKPMTIJ-RAXLEYEMSA-N	312.344	3.928	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)c2cnn(-c3ccccc3)c2C)c1	136126737	AYCSZQDNUDXMGG-UHFFFAOYSA-N	320.396	3.554	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2ccc(-n3cccn3)cc2)cc1	154740325	UWZZMNZGXVVHOA-QGOAFFKASA-N	313.360	3.971	50	20	DHGD	
C=CCOc1cccc(NC(=O)NNc2c(F)cccc2F)c1	158328166	VAPMEXHDSXREPK-UHFFFAOYSA-N	319.311	3.678	50	20	DHGD	
O=C1/C(=C\c2cnn(CCCl)c2)Cc2cc(Cl)ccc21	172819567	PGEUCZOGBSFKGZ-XGICHPGQSA-N	307.180	3.598	50	20	DHGD	
Cc1ccnc(NNC(=O)[C@H]2C[C@@H]2c2cccc3ccccc23)c1	176758989	MMYLEABYZUXQJG-MSOLQXFVSA-N	317.392	3.790	50	20	DHGD	
CC(C)(C)c1ccc(OCC(=O)NN=C[C@@H]2CC=CCC2)cc1	254479007	IGNBEDGYRVPNCA-OAHLLOKOSA-N	314.429	3.821	50	20	DHGD	
C[C@H](Cc1ccsc1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	490842773	MEQVASBHDDKDPD-KMHUVPDISA-N	314.385	3.542	50	20	DHGD	
CCC(CC)[C@@H](O)CNC(=O)CCCC[C@H]1CCSS1	732301308	VGCIBEGWGKHJSZ-KBPBESRZSA-N	319.536	3.614	50	20	DHGD	
CCOc1ccc(/C=C(\C#N)C(=O)O[C@H](C)c2cccnc2)cc1	733417004	OCIRCLXUSMNZBC-SWEABUAFSA-N	322.364	3.692	50	20	DHGD	
Cc1c(C(=O)NNc2ncccc2Cl)oc2ccc(F)cc12	734246135	VVKHRGHZXNNPCW-UHFFFAOYSA-N	319.723	3.686	50	20	DHGD	
C[C@@H]1CCCC(=NNC(=O)c2cccc(Br)c2)C1	741768090	UIIQLCGKDJCGKB-SNVBAGLBSA-N	309.207	3.745	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NCc1coc2ccccc12	752394402	XPDXVCGWIBXHMH-NTEUORMPSA-N	320.323	3.795	50	20	DHGD	
CC1CCC(=CC(=O)NNc2ccc(C#N)c(Cl)c2)CC1	753303852	SMILFGXTIPVORS-UHFFFAOYSA-N	303.793	3.791	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=C[C@H]1C[C@H]1c1ccccc1	755570095	CSFZPIDXXHMALX-WBVHZDCISA-N	312.800	3.788	50	20	DHGD	
CC(C)C[C@H](C)OCCC(=O)NNc1nccc2sccc12	755802900	HVRHUWJHXKWUCB-LBPRGKRZSA-N	321.446	3.581	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)N[C@H]1CCC(F)(F)C1	764379009	PKLPNADXXCFZSH-QMMMGPOBSA-N	323.265	3.519	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1ccc(Sc2ccccn2)o1	766431976	SPWJJFDRGRUELZ-UHFFFAOYSA-N	319.386	3.684	50	20	DHGD	
CCOc1ccccc1OCC(=O)NN=C1CCCC(C)(C)C1	767754880	RUSOKEKBSVILBU-UHFFFAOYSA-N	318.417	3.537	50	20	DHGD	
CCC1(CC)CCN(C(=O)[C@H](Br)C(C)(C)C)C1	768253482	QPEABZCYRSASFX-NSHDSACASA-N	304.272	3.835	50	20	DHGD	
Cc1cccc2cc(C(=O)NNc3cc(Cl)ccn3)oc12	778447204	HTRVFAUSYVNLNF-UHFFFAOYSA-N	301.733	3.547	50	20	DHGD	
N#C/C(=C\c1ccc(Oc2cnccn2)cc1)C(=O)C1CCCC1	781554718	UMLYWZCMXZDIOL-LFIBNONCSA-N	319.364	3.935	50	20	DHGD	
CCOc1ccccc1COC(=O)/C(C#N)=C\c1ccccc1	785347605	ZLJWRMHTDKJSIN-ATVHPVEESA-N	307.349	3.736	50	20	DHGD	
COc1cc(NNC(=O)[C@@H](F)c2ccccc2)ccc1Cl	790173986	AEVWBLKAYVFINW-AWEZNQCLSA-N	308.740	3.503	50	20	DHGD	
CSSCCNC(=O)CCSc1ccc(C)c(C)c1	791099322	CTCPCDYBBBUSCH-UHFFFAOYSA-N	315.529	3.913	50	20	DHGD	
Cc1ccccc1-c1noc(C)c1C(=O)NNc1ccccc1	793706510	WOQCEHSDFXBQLC-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
O=C(CCCC[C@@H]1CCSS1)OCc1cscn1	794480541	GESSUNUCKGVJHO-LLVKDONJSA-N	303.474	3.900	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)[C@@H]1C[C@]12CCc1ccccc12	799758463	MQOXSRKQZBHWED-RXVVDRJESA-N	320.436	3.905	50	20	DHGD	
CCC[C@H]1CN(Cc2ccc(OCCCCl)cc2)CCO1	811466153	NVPCYDHOYNTSIA-KRWDZBQOSA-N	311.853	3.695	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1ncc(-c2ccccc2)s1	811640893	DVESJUPTQHWIFQ-UHFFFAOYSA-N	301.415	3.696	50	20	DHGD	
CC(C)Oc1cccc(/C=C(/C#N)c2ccc([N+](=O)[O-])cn2)c1	812245508	SMIDEWKQGHWUFC-ZSOIEALJSA-N	309.325	3.841	50	20	DHGD	
O=C(NNc1cccc(Cl)n1)Nc1ccc(F)c(Cl)c1	813836555	OGBSJCJYYQKNLO-UHFFFAOYSA-N	315.135	3.676	50	20	DHGD	
Cc1ccoc1CNC(=O)NNc1cc(Cl)cc(Cl)c1	813841332	KIGXHANIZCCFAQ-UHFFFAOYSA-N	314.172	3.721	50	20	DHGD	
N#Cc1cccc(C(=O)NN=C2CC[C@@H](Cc3ccccc3)C2)c1	814836772	TWGBGTSPFWUIHB-INIZCTEOSA-N	317.392	3.687	50	20	DHGD	
CCOc1ccc(NNC(=O)c2sccc2SC)cc1	817900131	VUYXBNRKZPYCRP-UHFFFAOYSA-N	308.428	3.626	50	20	DHGD	
CC(C)COc1ccccc1/C=C(/C#N)C(=O)[C@H]1CCCOC1	834438209	KGLOPSPAXFLKNT-IUPCOXQMSA-N	313.397	3.624	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)OC[C@@H](C)CBr	838115611	BMHPNAHLIAIBCG-JGVFFNPUSA-N	305.134	3.539	50	20	DHGD	
C=CCOCCN1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844345206	PPVNVUAHYBKKFS-UHFFFAOYSA-N	313.558	3.923	50	20	DHGD	
O=C(CC1CCCCCC1)NNc1cc(C(F)(F)F)ccn1	857513584	HBTZFZCUUZVOQJ-UHFFFAOYSA-N	315.339	3.904	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c(OC)cc(F)cc1OC	865224676	VFGOGSIKXVPXIA-XFFZJAGNSA-N	305.349	3.755	50	20	DHGD	
CC[C@@H](C)C(=O)NN=Cc1ccc(-n2cnc3ccccc32)cc1	915975605	WQCDZTGGSVQICK-CQSZACIVSA-N	320.396	3.522	50	20	DHGD	
COC(=O)c1cccc(/C=C(\C#N)C(=O)c2ccccc2C)c1	1323857618	NONWDDANPRJAMR-LFIBNONCSA-N	305.333	3.572	50	20	DHGD	
COc1ccc(C(=O)NN=C(CC2CC2)c2ccccc2)cc1	1339271568	DLRHQQNXAYLXGW-UHFFFAOYSA-N	308.381	3.629	50	20	DHGD	
Cc1ccc(NNC(=O)CC/C=C\c2ccccc2)cc1C(=O)O	1610509683	PEMPAXBRXAQMAD-UITAMQMPSA-N	324.380	3.630	50	20	DHGD	
CC(C)C[C@H]1CCCC1=NNC(=O)Nc1ccc(C(=O)O)cc1	1776046408	OUKGVTLMCIWQQZ-CYBMUJFWSA-N	317.389	3.709	50	20	DHGD	
N#C/C(=C\c1ccco1)C(=O)Nc1ccccc1C(F)(F)F	21193661	WXAJMHNMCIOEMN-CSKARUKUSA-N	306.243	3.844	50	20	DHGD	
Cc1ccc2oc(C(=O)NNC(=O)Nc3ccccc3C)cc2c1	58861195	NFGHXOURUAYMBG-UHFFFAOYSA-N	323.352	3.516	50	20	DHGD	
Cc1c(C(=O)NNC(=O)CC(C)(C)C)sc2cccc(F)c12	103199798	SPQDCIFMPUHPNG-UHFFFAOYSA-N	322.405	3.546	50	20	DHGD	
N#C/C(=C/c1cccc(F)c1F)C(=O)Nc1ccccc1F	107417567	JZOFAECCFFQALM-FLIBITNWSA-N	302.255	3.650	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)C(C)(C)Oc2ccc(F)cc2)c1	119919049	MOXQZPUZQUAUMV-UHFFFAOYSA-N	316.376	3.743	50	20	DHGD	
C[C@H](C(=O)NNc1cccc2c1CCCC2)c1ccsc1	120404913	CYSUNBCIXOUOBF-LBPRGKRZSA-N	300.427	3.874	50	20	DHGD	
CC(C)CCO[C@@H](C)C(=O)NNc1ccc(C(F)(F)F)cc1	153578964	FFMVDBFKPPDAJO-NSHDSACASA-N	318.339	3.600	50	20	DHGD	
O=C(COc1ccc2ccccc2c1)NNc1cccc(F)c1	154610000	NYDUCBLZRLETID-UHFFFAOYSA-N	310.328	3.501	50	20	DHGD	
C/C(=C\C(=O)NNc1nc(C(F)(F)F)cs1)C(C)(C)C	155462066	YFQPLHGCNXOVOF-FNORWQNLSA-N	307.341	3.597	50	20	DHGD	
CC(C)(C)c1ccccc1C(=O)NNc1ccc([N+](=O)[O-])cc1	159372048	KNQMRVKKBHCMFI-UHFFFAOYSA-N	313.357	3.649	50	20	DHGD	
O=C(/C=C/c1ccccc1)NNc1ccc(C(F)(F)F)cc1	159861581	AGEKDUWQVPEVMS-IZZDOVSWSA-N	306.287	3.862	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccc(F)cc1F)c1ccccc1	173144154	CUUKVKBZGJSKET-MRXNPFEDSA-N	304.340	3.848	50	20	DHGD	
CC(C)CCOc1cccc(NC(=O)NNc2ccccn2)c1	180319166	RYVOLDAQWZVLAT-UHFFFAOYSA-N	314.389	3.655	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)NCc2cccc(C#N)c2)cc1	181466800	PVDOYBVWVNHYNK-UHFFFAOYSA-N	322.412	3.682	50	20	DHGD	
CCc1nc(C(C)C)ccc1C(=O)NNc1c(F)cccc1F	293402445	ONHKYICWUXXRHH-UHFFFAOYSA-N	319.355	3.803	50	20	DHGD	
COc1ccc(F)cc1/C=C(/C#N)C(=O)Nc1ccccc1C	490973766	MEAFDJMZYXVLNV-ZROIWOOFSA-N	310.328	3.688	50	20	DHGD	
CN(N=Cc1sccc1Br)C(=O)OC(C)(C)C	495854525	MZBJXGOTSNJVNT-UHFFFAOYSA-N	319.224	3.711	50	20	DHGD	
CC[C@@H](C)C(=O)/C(C#N)=C/c1c[nH]nc1-c1cccc(OC)c1	726429675	VHGALTIEXZOGEJ-ZBQKXELDSA-N	309.369	3.607	50	20	DHGD	
CC(C)(C)CC(=O)NNC(=S)Nc1ccc2ccccc2c1	728446005	PSRVAUGSMMVRIO-UHFFFAOYSA-N	315.442	3.594	50	20	DHGD	
CC(=NNC(=O)CCSc1ccc(F)cc1)C1CCCC1	733076249	HYBZYWIBUGNXEW-UHFFFAOYSA-N	308.422	3.990	50	20	DHGD	
Cc1ccc(NCC(=O)NN=C2CC(c3ccccc3C)C2)cc1	743421847	IRSOPBOMFOQJBF-UHFFFAOYSA-N	321.424	3.765	50	20	DHGD	
CCc1ccc([C@@H](C)C(=O)NNc2ccc(Cl)nc2)cc1	743817205	TZEZZWLXKJKFEG-LLVKDONJSA-N	303.793	3.544	50	20	DHGD	
O=C(NN=Cc1ccccc1C1CC1)c1cccc2ncccc12	751134221	VKHQHRJNOQRTDE-UHFFFAOYSA-N	315.376	3.876	50	20	DHGD	
N#C/C(=C\c1ccc(F)cc1)C(=O)NC1CC(c2ccccc2)C1	751973304	JSMAULLOKPKGKB-LICLKQGHSA-N	320.367	3.795	50	20	DHGD	
COc1cccc(C(=O)/C(C#N)=C\c2c(OC)cccc2OC)c1	753858410	NCJXNYVAZZQRGT-KAMYIIQDSA-N	323.348	3.502	50	20	DHGD	
CCCN(CC(=O)OC(C)(C)C)/C(=C\C#N)c1ccc(F)cc1	755318250	VDXSUVOBGMSLFA-YBEGLDIGSA-N	318.392	3.744	50	20	DHGD	
Cc1ccc(/C=C(/C#N)C(=O)OCc2ccc(F)c(C#N)c2)cc1	758912827	KVIYSJWIYPUNRX-IUXPMGMMSA-N	320.323	3.656	50	20	DHGD	
Cn1cnc2cc(/C=C(/C#N)c3ccc([N+](=O)[O-])cc3)ccc21	761202718	WITPHJBCWIIDSB-ZSOIEALJSA-N	304.309	3.546	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)N[C@@H]1CCC(F)(F)C1	764376099	GELVKOAWXAYMSQ-MRVPVSSYSA-N	324.158	3.807	50	20	DHGD	
C[C@@H]1CCN(C(=O)[C@H](Br)C(C)(C)C)CC12CCC2	768385146	SFTKLVFOCVSWHQ-NEPJUHHUSA-N	316.283	3.835	50	20	DHGD	
CCCCN(CC)c1ccc(C(=O)N2CC=C(C#N)CC2)cc1	780689779	LRUHJIPOKVLSHR-UHFFFAOYSA-N	311.429	3.609	50	20	DHGD	
CC(C)c1ccc2cc(C(=O)NNc3ccnc(F)c3)[nH]c2c1	781358228	DQILQDAQYVNAMG-UHFFFAOYSA-N	312.348	3.582	50	20	DHGD	
CCCCC/C(C=NNC(=O)C(C)(C)O)=C\c1ccccc1	785462371	DJTBMHXCHIBGTG-ZPJRFQIWSA-N	302.418	3.523	50	20	DHGD	
CC[C@@H](CSC)NC(=O)NNc1cc(Cl)cc(Cl)c1	790450018	HCGHDHYCGDOALU-JTQLQIEISA-N	322.261	3.761	50	20	DHGD	
O=C(Cc1ccc(Cl)cc1)NN=Cc1ccc(C(F)F)cc1	794487073	WGXYYPMPHNLULA-UHFFFAOYSA-N	322.742	3.970	50	20	DHGD	
CCOc1c(Cl)cccc1/C=C(\C#N)C(=O)[C@H]1CCCOC1	794881457	CVSMBYPYHWMIPY-FYQHACEVSA-N	319.788	3.641	50	20	DHGD	
CCc1cccc(Cl)c1/C=C(\C#N)C(=O)C1CCOCC1	794954033	QWDHNFAAOYDUBR-GXDHUFHOSA-N	303.789	3.805	50	20	DHGD	
O=C(NNc1ccc(F)cc1F)c1ccc(C(F)(F)F)s1	802827012	SEMPSVGPEGZUHY-UHFFFAOYSA-N	322.258	3.802	50	20	DHGD	
C[C@H](CBr)COC(=O)C(C1CCC1)C1CCC1	803789493	ZCXIHXJFTMUVSP-SNVBAGLBSA-N	303.240	3.777	50	20	DHGD	
CCCN1CC[C@@H](CNCc2ccc(OCCCCl)cc2)C1	811476164	ZHIQMSNZPKQILU-KRWDZBQOSA-N	324.896	3.516	50	20	DHGD	
COc1ccc(NNC(=O)c2cccc(C)c2)c(C(F)(F)F)c1	816702654	WMWBZSNIPQCJIT-UHFFFAOYSA-N	324.302	3.779	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cn(C(C)C)nn2)cc1Cl	819013646	FZVSQUHXVIWRSC-AWNIVKPZSA-N	314.776	3.611	50	20	DHGD	
O=C(NCC(Cl)Cl)C1(c2cccc(F)c2)CCCCC1	819795445	XMWBBNUSTUJRGP-UHFFFAOYSA-N	318.219	3.948	50	20	DHGD	
C[C@@H]1CC[C@H](C(=O)NNc2cccc(C(F)(F)F)n2)C[C@H]1C	825997824	QARQWSPXRRCPQY-MXWKQRLJSA-N	315.339	3.616	50	20	DHGD	
CCCCn1cc(C(=O)NNc2ccc(C)cc2Cl)c(C)n1	836936207	DLELTLWLBLMVJY-UHFFFAOYSA-N	320.824	3.710	50	20	DHGD	
N#C/C(=C\c1cccc2c1OCCO2)c1nc(C2CC2)cs1	843266078	SIQTXGVYCSVRRR-MDWZMJQESA-N	310.378	3.856	50	20	DHGD	
O=C(NNc1ccccc1Cc1ccccc1)C1[C@H]2CCC[C@H]12	846463279	CRXKZXUPAXVARP-IRXDYDNUSA-N	306.409	3.767	50	20	DHGD	
CCc1nocc1CN1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	852523388	DCXBRMWMJLRZJM-CQSZACIVSA-N	310.514	3.833	50	20	DHGD	
Cc1nc([C@@H](C)N2CC[C@@H](O[Si](C)(C)C(C)(C)C)C2)no1	852523769	BHCNNCOJKMPVPB-DGCLKSJQSA-N	311.502	3.535	50	20	DHGD	
CCCCC=NNC(=O)CSc1nc2ccccc2s1	864094511	KERHXKURYXHWQX-UHFFFAOYSA-N	307.444	3.681	50	20	DHGD	
Cc1ccc(Cl)c(NC(=O)[C@]2(C)C[C@@H]2Br)c1	907018589	NTACIEQULWEITP-CMPLNLGQSA-N	302.599	3.760	50	20	DHGD	
Cc1ccc(-c2nc(C=NNC(=O)C3CCCC3)cs2)cc1	918712724	PTBVCXGBPWXJIY-UHFFFAOYSA-N	313.426	3.759	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)C[C@@H]1CCO[C@H](C(C)C)C1	928337977	ZPSXJYUUPIBZRA-CJNGLKHVSA-N	324.852	3.933	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CCCCCC(=O)C2)ccc1Cl	928340039	PQHOSTLGWUMUJC-GFCCVEGCSA-N	308.809	3.631	50	20	DHGD	
Cc1ccc(Cl)cc1NNC(=O)Nc1ccnn1C(C)C	929304966	ZAIABQYYBVSPMJ-UHFFFAOYSA-N	307.785	3.574	50	20	DHGD	
CC(C)(C)[Si](C)(C)OC[C@H]1CCCN1Cc1nncs1	930829144	PTMSXCZXPVLOOT-GFCCVEGCSA-N	313.543	3.524	50	20	DHGD	
CN1CCN(C(=O)c2cccc(CCl)c2)c2ccccc2C1	1120600701	FAMYTXRQOCCNLN-UHFFFAOYSA-N	314.816	3.518	50	20	DHGD	
Cc1ccccc1C(F)(F)C(=O)NNc1ccc(Cl)cc1	1320377303	WTFVTGCSCATVSK-UHFFFAOYSA-N	310.731	3.884	50	20	DHGD	
Cc1cc(C(=O)NNc2ccc(F)cc2Cl)c(C)n1C1CC1	1333560053	WLSUPIDJAICAHL-UHFFFAOYSA-N	321.783	3.989	50	20	DHGD	
O=C(N[C@H](c1ccccn1)C1CC1)c1cccc(CCl)c1	1336105927	FKHCYKLHKXCOAR-INIZCTEOSA-N	300.789	3.702	50	20	DHGD	
CCCCCNC(=O)/C(C#N)=C\c1ccc(SC)c(OC)c1	63874368	KDFYZBJBHKKOIQ-UVTDQMKNSA-N	318.442	3.630	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NNc3cccnc3Cl)cc2C1	85685967	MNCQRCOXLMZBAP-SECBINFHSA-N	321.833	3.678	50	20	DHGD	
N#C/C(=C/c1ncccc1C(F)(F)F)C(=O)Nc1ccccc1	119552304	WYKVCOJPGRHNRW-LUAWRHEFSA-N	317.270	3.646	50	20	DHGD	
CC(C)Oc1ccc(NC(=O)NNc2ccccc2)c(F)c1	120354781	NOVFGHDYFFDDNU-UHFFFAOYSA-N	303.337	3.762	50	20	DHGD	
COc1cc(/C=C(/C#N)C(=O)CC(C)(C)C)cc(OC)c1OC	124838239	VKOZHMDXOZTBDU-QPEQYQDCSA-N	317.385	3.625	50	20	DHGD	
CC(C)C(=O)/C(C#N)=C/c1ccccc1OCc1cccnc1	128087607	MTTRIADFPGDBRS-LICLKQGHSA-N	306.365	3.793	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C\c2ccc(F)cc2C)cc1	131091572	VLRGWMXKJAUHRI-UVTDQMKNSA-N	310.328	3.688	50	20	DHGD	
O=C(NNc1ccccc1Cl)c1ccc2nc(S)oc2c1	158251785	YAGWJRUASUENPQ-UHFFFAOYSA-N	319.773	3.527	50	20	DHGD	
COC(=O)/C(C#N)=C/c1cn(-c2ccc(C)cc2)nc1C(C)(C)C	164765921	JGPKOEDEQGYHPC-GXDHUFHOSA-N	323.396	3.558	50	20	DHGD	
COc1ccc(OC(F)F)c(/C=C(\C#N)C(=O)C(C)(C)C)c1	171989289	CDWSLJHFHYZPBD-YRNVUSSQSA-N	309.312	3.819	50	20	DHGD	
COc1ccc(/C=C(\C#N)c2ccc([N+](=O)[O-])cc2)cc1C#N	173014398	MXOYCZJGPOHTLX-RIYZIHGNSA-N	305.293	3.539	50	20	DHGD	
CC(C)c1nc(C(=O)NNc2ccc(Cl)c(F)c2)cs1	175400107	QPPKWHKZXMXULB-UHFFFAOYSA-N	313.785	3.816	50	20	DHGD	
C[C@@H](C(=O)NNc1ccc(Br)cc1Cl)C1CC1	175831669	CNVYGEVEIFSSGD-SSDOTTSWSA-N	317.614	3.592	50	20	DHGD	
N#C/C(=C\c1cc(Cl)ccc1F)C(=O)NCc1ccccc1	178863461	DQBJIOOLTVJLAC-RIYZIHGNSA-N	314.747	3.702	50	20	DHGD	
Cc1oc(-c2ccccc2)c(C(=O)NNc2ccncc2)c1C	189039699	INUMNYYFPJSNSO-UHFFFAOYSA-N	307.353	3.715	50	20	DHGD	
CC(C)c1csc(/C(C#N)=C\c2cn(C(C)(C)C)nn2)n1	191314825	VTGUMYSDIBWOKF-WDZFZDKYSA-N	301.419	3.677	50	20	DHGD	
CC(C)(C)c1ccc(NNC(=O)[C@@H]2CCCc3cccnc32)cc1	192857034	IDBNXGFYSRVAOA-QGZVFWFLSA-N	323.440	3.942	50	20	DHGD	
O=C(NNc1ccccn1)[C@@]1(Cc2ccccc2)C[C@H]2CC[C@H]1C2	245618580	ZJLLCFCEIYZBMJ-ZWOKBUDYSA-N	321.424	3.574	50	20	DHGD	
ClCCCOc1ccc(CN2CC[C@@H]([C@@H]3CCOC3)C2)cc1	365651760	RPTZOAKLEACEKA-IAGOWNOFSA-N	323.864	3.553	50	20	DHGD	
Cc1cccc([C@H](C)NC(=O)/C(C#N)=C/c2ccc(O)cc2)c1C	490975497	PICXOIOGZDUBBN-VUVCFOEZSA-N	320.392	3.793	50	20	DHGD	
CC(C)(C)CC(=O)NN=C(CC(F)(F)F)c1ccccc1	728429299	YFHNRQHRHRHDPR-UHFFFAOYSA-N	300.324	3.896	50	20	DHGD	
CCOC(=O)c1csc(/C(C#N)=C/c2ccc(F)c(C)c2)n1	729149558	JQNDTNONPAQKSG-KPKJPENVSA-N	316.357	3.832	50	20	DHGD	
CC(Cc1ccsc1)=NNC(=O)c1cc2c(s1)CCC2	729635821	OHMFJIUISJECHV-UHFFFAOYSA-N	304.440	3.647	50	20	DHGD	
CC[C@@H](C(=O)NN=Cc1cc(F)ccc1F)c1ccccc1	731931047	AWLFHFYYFXOMHW-OAHLLOKOSA-N	302.324	3.609	50	20	DHGD	
CCCCC(CC)=NNC(=O)COc1ccccc1OCC	732924346	RXGXSVYGJRDCBV-UHFFFAOYSA-N	306.406	3.537	50	20	DHGD	
CCCC[C@@H](CC)CC(=O)NNC(=O)C(C)(C)c1ccccc1	735249277	VEPVJVUMASVIIJ-OAHLLOKOSA-N	318.461	3.718	50	20	DHGD	
N#C/C(=C\c1occc1Br)C(=O)c1ccccc1F	735304704	MXKJPSUCVNAWTI-VQHVLOKHSA-N	320.117	3.971	50	20	DHGD	
N#C/C(=C\c1nccc2ccccc12)C(=O)Nc1ccc(F)cc1	740764492	WWQBYGSJKSLCRQ-SDNWHVSQSA-N	317.323	3.920	50	20	DHGD	
CCC[C@H](C)C(=O)/C(C#N)=C\c1cc2c(cc1OC)C[C@@H](C)O2	741470168	QPVAOGFEVWZNPH-CNFOOLDZSA-N	313.397	3.931	50	20	DHGD	
CC(C)C(CCc1ccccc1)=NNC(=O)c1ccc(C#N)cc1	747049889	YBPNBXQJQWQBBE-UHFFFAOYSA-N	319.408	3.933	50	20	DHGD	
CCCOc1ccc(C(C)=NNC(=O)c2ccc(C#N)cc2)cc1	747051390	PUGYHMXOWFSWOX-UHFFFAOYSA-N	321.380	3.501	50	20	DHGD	
Cc1cc(OCC(=O)NNc2cccc(C#N)c2)ccc1C(C)C	748048506	YQTUMVVLZKGHCK-UHFFFAOYSA-N	323.396	3.512	50	20	DHGD	
Cc1cc(OCC(=O)NNc2cccc(F)c2)ccc1C(C)C	748101279	SILCXOLXCVLFJT-UHFFFAOYSA-N	316.376	3.780	50	20	DHGD	
O=C(C[C@@H]1CCc2ccccc2C1)NNc1ccccc1Cl	748303396	RHDISFUOOJQGLY-CYBMUJFWSA-N	314.816	3.978	50	20	DHGD	
N#C/C=C(\c1cccc([N+](=O)[O-])c1)N1CCc2ccc(F)cc2C1	749449462	OHQZUOSYOUJDOE-NGYBGAFCSA-N	323.327	3.657	50	20	DHGD	
N#C/C=C(/c1cccc([N+](=O)[O-])c1)N1CC[C@@H]1Cc1ccccc1	752315090	PHPYZTXKOQPSSH-CNQPKBAFSA-N	319.364	3.776	50	20	DHGD	
CS[C@H](CNC(=O)/C(C#N)=C\c1ccc(F)cc1)C(C)(C)C	752882276	CTBLYAVZWAXYTJ-UZGISAJGSA-N	320.433	3.627	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=Cc3ccccc3C#N)cc2C1	755576556	PGGZHGAPKUPZLJ-GFCCVEGCSA-N	323.421	3.508	50	20	DHGD	
C[C@H](CC=NNC(=O)c1ccc(O)c(Cl)c1)c1ccccc1	755733924	KBRHFNIFBATZSZ-GFCCVEGCSA-N	316.788	3.955	50	20	DHGD	
Cc1cc(C=NNC(=O)Cc2ccc(Cl)cc2)c(C)s1	760235477	PCMUZDBOZXEYSK-UHFFFAOYSA-N	306.818	3.711	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)c2ccc(Cl)cc2F)cn1	764886046	KVPWJOXZPHGWGJ-WUXMJOGZSA-N	300.720	3.972	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)OCc1cccnc1Cl	766746341	NCJXULMDRZLMLR-VIFPVBQESA-N	320.614	3.588	50	20	DHGD	
Cc1ccc2[nH]c(C(=O)OC[C@H](C)CBr)cc2c1	770315505	DXKBACUWNRIHAT-SNVBAGLBSA-N	310.191	3.664	50	20	DHGD	
Cc1ccsc1[C@@H]1C[C@@H]1C(=O)OC[C@H](C)CBr	770404130	PHQOSMYAZJZCQF-IEBDPFPHSA-N	317.248	3.734	50	20	DHGD	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)OC[C@@H](C)C#N)c1C	770930111	OLBPZHDOIGQVGF-YRUBURHZSA-N	313.401	3.515	50	20	DHGD	
O=C(NNc1cc(Cl)ccc1Cl)c1c(O)cccc1F	773458641	JTBLZMXRQOZLGO-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
CC(C)(C)CC(=O)NN=Cc1cccc(C(=O)OC(C)(C)C)c1	777886195	RFTBCTLCDPIZAR-UHFFFAOYSA-N	318.417	3.528	50	20	DHGD	
CSc1cc(C(=O)Oc2cc(C)c([N+](=O)[O-])cc2C)ccn1	779194948	QVEZJXPHJPRRKG-UHFFFAOYSA-N	318.354	3.548	50	20	DHGD	
CN(NC(=O)Cc1cccc(Cl)c1Cl)c1ccccc1	790487198	JZENLIIIUIZFEQ-UHFFFAOYSA-N	309.196	3.704	50	20	DHGD	
C[C@]1(C=NNC(=O)c2c(Cl)cccc2Cl)CCCS1	793005761	ZASJDWQDXFEDTC-CYBMUJFWSA-N	317.241	3.995	50	20	DHGD	
COc1cc(NC(=O)/C(C#N)=C\c2ccc(F)cc2)c(C)cc1C	794361231	IXEGFRDKDXLORR-DHDCSXOGSA-N	324.355	3.997	50	20	DHGD	
CC(C)C[C@@H]1CCCC(=NNC(=O)c2cccc([N+](=O)[O-])c2)C1	794445081	JCELUHFMSHSKLO-ZDUSSCGKSA-N	317.389	3.917	50	20	DHGD	
C[C@@H]1CCc2sc(C(=O)NN=C[C@@H]3CCCSC3)cc2C1	794880302	DBOUFVMXSNOHOZ-NEPJUHHUSA-N	322.499	3.732	50	20	DHGD	
N#C/C(=C\c1ccccc1)C(=O)OCCCCC1CCOCC1	798659749	ZTWCIWVKXGORMD-NBVRZTHBSA-N	313.397	3.734	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)Cc1cccc(F)c1F	799759289	LGSGJLAILQGEEW-UHFFFAOYSA-N	304.340	3.521	50	20	DHGD	
O=C(NN=C1CCC[C@H]2C[C@@H]12)c1ccc(COc2ccccc2)o1	800808387	JWBWANWJKLPGOP-XJKSGUPXSA-N	324.380	3.764	50	20	DHGD	
O=C(NNc1cc(Cl)ccn1)[C@@H]1CCC[C@H]2CCCC[C@H]21	803055292	XZRDIVRVGOWLDM-MRVWCRGKSA-N	307.825	3.785	50	20	DHGD	
COC(C)(C)C[C@@H](C)NC(=O)NNc1c(C)cccc1C(C)C	813084347	NTJVIKZDIBMBQW-CQSZACIVSA-N	321.465	3.948	50	20	DHGD	
CCCC(=NNC(=O)[C@H](CC)c1ccccc1)c1ccccn1	814845442	LVNDTEIAOLBXSX-MRXNPFEDSA-N	309.413	3.896	50	20	DHGD	
CC(=O)c1csc(C(=O)NNc2ccc(C(C)C)cc2)c1	837057376	YAUQLTYZNNUEKF-UHFFFAOYSA-N	302.399	3.831	50	20	DHGD	
Cc1cccc(Cl)c1NNC(=O)N[C@@H]1CCCC(F)(F)C1	838524527	XSBZNOIZKURNHE-SNVBAGLBSA-N	317.767	3.852	50	20	DHGD	
O=C(NN=C[C@H]1CCC[C@@H](C(F)(F)F)C1)NC1CCCC1	853297054	RIFQUNLUYZUIBC-WDEREUQCSA-N	305.344	3.583	50	20	DHGD	
CCC[C@H](C(=O)NCCCSC#N)c1ccc(Cl)cc1	854364001	WNERODZRRBTCOL-AWEZNQCLSA-N	310.850	3.944	50	20	DHGD	
O=C(NNc1cccnc1Cl)C1(C(F)(F)F)CCCCC1	854930723	KMLKMSAHTVUCMX-UHFFFAOYSA-N	321.730	3.691	50	20	DHGD	
Cc1ccc(NNC(=O)c2ccc(OCC3CC3)cc2)cc1F	856231381	ZBSGZZMILUFIAK-UHFFFAOYSA-N	314.360	3.680	50	20	DHGD	
CN(Cc1ccc(Cl)s1)C(=O)[C@]1(C)C[C@H]1Br	905280103	SHFTVISDIFYXLI-LDYMZIIASA-N	322.655	3.533	50	20	DHGD	
Cc1ccc(NNC(=O)c2c(C)cc(C)nc2C)c(Cl)c1	909207312	WMICNCSYRKNWQG-UHFFFAOYSA-N	303.793	3.726	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(Cl)cc1)c1c(F)cccc1F	916350792	IUGUUZPVRJASCP-UHFFFAOYSA-N	322.742	3.701	50	20	DHGD	
CC(=NNC(=O)Cc1ccc(F)cc1)c1cccc(Cl)c1	916351414	KTRBZHLQVQVDES-UHFFFAOYSA-N	304.752	3.562	50	20	DHGD	
CCOC(=O)/C(C#N)=C/c1cc(C)n(-c2ccccc2F)c1C	916599948	VEFZFSLJIMUOJP-XNTDXEJSSA-N	312.344	3.703	50	20	DHGD	
CC(=NNC(=O)CC(F)(F)F)c1cc(Cl)sc1Cl	917551734	XDIHVRZCKHROHS-UHFFFAOYSA-N	319.135	3.848	50	20	DHGD	
Cc1cc(/C=C(\C#N)C(=O)N(C)CC2CC2)c(C)n1CC(C)C	917706875	ZCFGFSFJUUEPPK-GIJQJNRQSA-N	313.445	3.536	50	20	DHGD	
O=C(CCNc1ccccc1)NNc1ccc(Cl)cc1Cl	1319370823	LCHOLCHCHUNZPM-UHFFFAOYSA-N	324.211	3.939	50	20	DHGD	
CC(C)(C)c1ccc([C@H](NC(=O)CCl)C(F)(F)F)cc1	1320467011	ZBTTZYRWAOIMBA-LBPRGKRZSA-N	307.743	3.943	50	20	DHGD	
CC[C@@H]1CCCC[C@@H]1C=NNC(=O)Nc1ccc(C(=O)O)cc1	1776045846	NXQDTFNKJSKINP-TZMCWYRMSA-N	317.389	3.709	50	20	DHGD	
CCCCCC[C@H](C)C(=O)NNc1cc(C#N)cc(Cl)n1	93543693	QUYSKFRQJHDNRS-NSHDSACASA-N	308.813	3.656	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)c1ccc2[nH]ccc2c1	122356510	HHTWYXPLCPLIPX-UHFFFAOYSA-N	317.295	3.526	50	20	DHGD	
Cc1ccc(C)c(NNC(=O)CCc2cn(C)c3ccccc23)c1	159154907	UESRRUONTSTVBG-UHFFFAOYSA-N	321.424	3.871	50	20	DHGD	
O=C(/C=C\c1ccc(Cl)s1)NNc1ccc(F)cc1F	255201481	IRYSLSLVXYHSFM-UTCJRWHESA-N	314.744	3.836	50	20	DHGD	
Cc1cccc(F)c1NNC(=O)[C@H]1CCCc2sccc21	364296789	XTSRHMRLUKGRRU-LBPRGKRZSA-N	304.390	3.759	50	20	DHGD	
N#C/C(=C/c1ccc(C(F)F)cc1)C(=O)NCc1ccccc1	490700111	UMMFHEASJNHTMC-YBEGLDIGSA-N	312.319	3.848	50	20	DHGD	
N#C/C(=C/c1cc(F)ncc1F)C(=O)Nc1ccc(Cl)cc1	490944250	VQSPPXMTCJAXGI-YHYXMXQVSA-N	319.698	3.559	50	20	DHGD	
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc(F)cc2)ccc1C#N	491007994	HFCPNYWLPYTUIK-DHDCSXOGSA-N	305.312	3.551	50	20	DHGD	
CCCN(N=Cc1nc(Cl)cs1)C(=O)OC(C)(C)C	495676197	GEEJBFKLSXGXJE-UHFFFAOYSA-N	303.815	3.778	50	20	DHGD	
CCOc1cc(/C=C(/C#N)c2cnc3ccccc3n2)ccc1O	588580505	IRWJIVDNBFNNHS-ZROIWOOFSA-N	317.348	3.798	50	20	DHGD	
C[C@@H](C=NNC(=O)c1cccc2ncccc12)c1ccccc1	730146411	VIGPRSRYOFXCLH-AWEZNQCLSA-N	303.365	3.754	50	20	DHGD	
O=C(NN=Cc1ccc(-c2ccccc2Cl)o1)C1CCC1	731936078	FXKJJJJCRILFFX-UHFFFAOYSA-N	302.761	3.850	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3cccc(OCC#N)c3)[nH]c12	735618569	CBZUBAGPOUDREU-XNTDXEJSSA-N	314.348	3.838	50	20	DHGD	
Cc1cc(C)c(NNC(=O)[C@@H]2C[C@]23CCc2ccccc23)c(C)c1	743766415	KNBHIAAKCPFUNJ-RXVVDRJESA-N	320.436	3.959	50	20	DHGD	
CS[C@H]1CCCCN(/C(=C\C#N)c2cccc([N+](=O)[O-])c2)C1	749465729	IIPUOJFLUYCRDL-CRNMQVKPSA-N	317.414	3.677	50	20	DHGD	
O=C(CC1CCCC1)NN=Cc1cnc(-c2cccs2)s1	751525348	DZTSXLWSQKBHRJ-UHFFFAOYSA-N	319.455	3.902	50	20	DHGD	
CC(=NNC(=O)[C@H](C)Oc1ccc2ccccc2c1)c1ccoc1	755888325	OWDJQZIDTOTGTP-AWEZNQCLSA-N	322.364	3.741	50	20	DHGD	
Cc1nc2ccc(C(=O)NNc3ccc(F)cc3)cc2s1	761449883	OUXUFZKCTGYRKZ-UHFFFAOYSA-N	301.346	3.501	50	20	DHGD	
C[C@H](C(=O)NNc1ccc(OC(F)(F)F)cc1)C1CCCC1	761584337	DTPIRKUONPFZQG-JTQLQIEISA-N	316.323	3.855	50	20	DHGD	
CC(CCCC(C)C)=NNC(=O)Cn1c(C)nc2ccccc21	764666470	RORGAIOVHNQPKG-UHFFFAOYSA-N	314.433	3.663	50	20	DHGD	
C[C@@H]1CCC[C@H]1CC(=O)NNc1ccccc1C(F)(F)F	769437620	XGUZMTMMZNWREC-MNOVXSKESA-N	300.324	3.975	50	20	DHGD	
CCc1ccc(NC(=O)/C(C#N)=C/c2ccc(C#N)cc2F)cc1	772808904	ZUUZYOAAOUOIAZ-MHWRWJLKSA-N	319.339	3.805	50	20	DHGD	
CSc1cc(/C(C#N)=C\c2ccc(O)c(Cl)c2)ncn1	773173732	TZIWIIGDWYAHJV-WMZJFQQLSA-N	303.774	3.622	50	20	DHGD	
O=C(NNc1cc(C(F)(F)F)ccc1F)C1(F)CCCC1	773484437	XXDJBFZCTPSZGH-UHFFFAOYSA-N	308.250	3.570	50	20	DHGD	
CC(=NNC(=O)c1ccc(Cl)cc1Cl)[C@H]1CCCOC1	779762321	YBPSBBPFIXHJLP-JTQLQIEISA-N	315.200	3.526	50	20	DHGD	
N#C/C(=C\c1cc(Cl)c2c(c1)OCO2)C(=O)C1CCCC1	781553020	HFPFTFDJGAEPFS-LFYBBSHMSA-N	303.745	3.735	50	20	DHGD	
Cc1cc(C)c(NNC(=O)C[C@H]2CCO[C@H](C(C)C)C2)c(C)c1	782017220	SRXJCFUDTOBLMG-IRXDYDNUSA-N	318.461	3.896	50	20	DHGD	
Cc1cc2cc[nH]c2cc1NC(=O)NNc1c(F)cccc1F	782090714	NJJJGKWILKVHSU-UHFFFAOYSA-N	316.311	3.903	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C2CC[C@H](C)C[C@@H]2C)o1	783838359	YWXVTXLSTUUYQH-KBPBESRZSA-N	319.449	3.663	50	20	DHGD	
O=C(Cc1cccc(C(F)F)c1)NNc1ccc(F)cc1F	790649567	CRHGCJOYBOAZHJ-UHFFFAOYSA-N	312.266	3.588	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C\c1c[nH]nc1-c1cccc(OC)c1	794951017	CGBWXLYZFIGDBA-ZROIWOOFSA-N	323.396	3.998	50	20	DHGD	
COc1ccc2cc(/C=C(/C#N)C(=O)C3CCOCC3)ccc2c1	794958940	PTAYVQDTHKYLPL-WQRHYEAKSA-N	321.376	3.751	50	20	DHGD	
ClCCCOc1ccc(CN[C@@H]2CCC[C@@H]3OCC[C@@H]32)cc1	798188056	XYNSIGAVXDGZIS-KURKYZTESA-N	323.864	3.742	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCO[C@@H](C)CC(C)C	799760724	OTVWMYMDWUDPRE-HNNXBMFYSA-N	306.450	3.842	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1nc2ccccc2cc1Cl	810681968	QBFOWIHKBKHHTG-UHFFFAOYSA-N	315.735	3.784	50	20	DHGD	
CC(C)(C)c1ccc(C(=O)NNc2cccc(F)n2)cc1Cl	811525899	NOMCEGMEPSBMGQ-UHFFFAOYSA-N	321.783	3.929	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CC[C@@H](c3ccccc3)C2)c(O)c1	814810696	FTTPVQUIKIRUGM-OAHLLOKOSA-N	308.381	3.754	50	20	DHGD	
CC(C)(CC(=O)NNc1ccc(Br)cc1)C1CC1	815851931	ZTEZOYLNJFYSDE-UHFFFAOYSA-N	311.223	3.719	50	20	DHGD	
N#CC(C#N)=C(N)/C(C#N)=C/c1c(Cl)ccc(Cl)c1Cl	817933697	ORZZRDJSFSMVFU-XVNBXDOJSA-N	323.570	3.814	50	20	DHGD	
C=C(C)C(C)(C)C(=O)NNc1ccc(C#N)cc1C(F)(F)F	819522790	VOAWHVFFYZLVMG-UHFFFAOYSA-N	311.307	3.622	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NNc2ccc(Cl)cc2)o1	825117145	KHNQYBQTZDFFSN-UHFFFAOYSA-N	321.808	3.532	50	20	DHGD	
Cc1cccc2sc(NNC(=O)CCCC(F)(F)F)nc12	828362343	HYVYUFAXYCKQON-UHFFFAOYSA-N	317.336	3.780	50	20	DHGD	
CCSCc1ccccc1C(=O)N(C)CC(Cl)Cl	848084816	WSTQEUSVGVKCQK-UHFFFAOYSA-N	306.258	3.815	50	20	DHGD	
CC(C)N(Cc1ccccn1)C[C@@H](CBr)C1CC1	859080475	LEJCCEKHIJPUHS-CQSZACIVSA-N	311.267	3.713	50	20	DHGD	
Cc1ccc(NNC(=O)[C@H]2[C@H]3c4ccccc4C[C@H]32)c(Cl)c1	861914298	AFFLMYJJTBWFHJ-XOKHGSTOSA-N	312.800	3.677	50	20	DHGD	
CO[C@@H](C(=O)NNc1ccc(C(C)C)cc1)c1ccc(F)cc1	861927996	VHNVDNGOBHISGL-QGZVFWFLSA-N	316.376	3.780	50	20	DHGD	
CCC(CC1CCCCC1)=NNC(=O)c1ccc(O)c(O)c1	872369824	MGACWHUZSRRRSO-UHFFFAOYSA-N	304.390	3.564	50	20	DHGD	
Cn1cc(/C=C(/C#N)C(=O)c2ccc(Cl)s2)c(C2CC2)n1	899345211	IEBGDRNTWHAFOX-POHAHGRESA-N	317.801	3.802	50	20	DHGD	
CCCCc1ccc(NC(=O)/C(C#N)=C/c2nc(C)c(C)[nH]2)cc1	901419222	WYIDJCBRGWZJFQ-LFIBNONCSA-N	322.412	3.915	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C(C)=O)c(C)c1	908002398	OIPJZPRPQWOTPE-UHFFFAOYSA-N	310.397	3.825	50	20	DHGD	
Cc1occc1CNC(=O)NNc1ccc(Cl)cc1Cl	919782563	ZATGLGBEMZHRPE-UHFFFAOYSA-N	314.172	3.721	50	20	DHGD	
Cc1ccc(C(=O)NN=C2CCC[C@@H](c3cccnc3)C2)cc1O	1119357014	AGDXUASNUZOLNC-CQSZACIVSA-N	323.396	3.539	50	20	DHGD	
Cc1ccc([C@@H](O)[C@H](C)NC(=O)c2cccc(CCl)c2)cc1	1335955163	CIUVPMPOUSSOEN-GUYCJALGSA-N	317.816	3.586	50	20	DHGD	
COc1cccc([C@@H]2C[C@H]2NC(=O)c2cccc(CCl)c2)c1	1335984313	QGKVJUZPPDINBU-DLBZAZTESA-N	315.800	3.720	50	20	DHGD	
CC[C@@H](NC(=O)C1CCC(Cl)CC1)c1nc2ccccc2[nH]1	1347580542	LXGSGFMKDRHTIS-WXRRBKDZSA-N	319.836	3.928	50	20	DHGD	
CC[C@@](C)(NC(=O)C1CCC(Cl)CC1)c1nc(C)cs1	1351369620	YCCCAJWTERLDQL-KOHJWAIASA-N	314.882	3.991	50	20	DHGD	
O=C(C1CCC(Cl)CC1)N1CCC(OC2CCCC2)CC1	1519272639	NZDHQSZJPUWALK-UHFFFAOYSA-N	313.869	3.734	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccccc2C(=O)O)cc1	1588968624	NWXMNOPNWVOWPP-UHFFFAOYSA-N	313.357	3.657	50	20	DHGD	
CC(C)c1ccc(NNC(=O)Nc2ccc(C(=O)O)cc2)cc1	1604002490	BAURYKVWUNJOGY-UHFFFAOYSA-N	313.357	3.657	50	20	DHGD	
Cc1ccc(C(=O)/C(C#N)=C/c2cc(C(=O)O)c(Cl)s2)o1	1777433624	LFPWUDZVBJEXCD-XBXARRHUSA-N	321.741	3.791	50	20	DHGD	
CC(C)c1ncc(/C=C(/C#N)C(=O)NC2CCCCC2)s1	123351550	JOMMKZVMZDNXAQ-WQLSENKSSA-N	303.431	3.622	50	20	DHGD	
CC[C@H](C(=O)NNc1ccc(F)cc1F)c1ccc(F)cc1	127792287	GNMRKQNIVNUPPN-ZDUSSCGKSA-N	308.303	3.741	50	20	DHGD	
C[C@@H](CBr)CN(CC1CCC1)CC(F)(F)F	133869837	CPRLYJBITQPLBA-VIFPVBQESA-N	302.178	3.682	50	20	DHGD	
Cc1nc(-c2ccccc2)ccc1C(=O)NNc1ccccc1F	153110233	JJVKMBBHKUVBIC-UHFFFAOYSA-N	321.355	3.953	50	20	DHGD	
CSc1ccc(C)c(C(=O)NNc2ccncc2Cl)c1	154802894	VAPNKPJVMILNQI-UHFFFAOYSA-N	307.806	3.522	50	20	DHGD	
Fc1ccccc1CO[C@H]1CCC[C@@H]1I	158419837	GRKZAKPHWVFBSO-RYUDHWBXSA-N	320.145	3.698	50	20	DHGD	
COc1cc(C(=O)NNc2ccccc2C)ccc1OC(C)C	192735153	QCHOOGZDWRUSRQ-UHFFFAOYSA-N	314.385	3.548	50	20	DHGD	
COc1ccccc1OCCN(C)/C(=C\C#N)c1ccccc1	255058064	RZFKQCKRDMKKHU-ATVHPVEESA-N	308.381	3.570	50	20	DHGD	
CSSCCNC(=O)Nc1ccc(C(C)(C)C#N)cc1	284453731	BVXFVRVEWYMUDB-UHFFFAOYSA-N	309.460	3.620	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N1CCC[C@@H]1c1ccccc1	491051648	TUDDCGYKAOFGFX-BLMOFCDVSA-N	318.376	3.663	50	20	DHGD	
CCCN(N=C1CC[C@@H](C(=O)O)[C@H](C)C1)C(=O)OC(C)(C)C	496837985	MLZPAYYGCNYVBW-DGCLKSJQSA-N	312.410	3.510	50	20	DHGD	
CC(C)CCC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(O)cc1	588515097	LLFAMPAONBIRCK-LUYJPIOASA-N	300.402	3.630	50	20	DHGD	
COc1ccc(Cl)cc1CN(C)C[C@@H](C)CBr	688948795	TYUCOXWBKVYFLP-JTQLQIEISA-N	320.658	3.811	50	20	DHGD	
CC(=NNC(=O)O)c1c(F)cccc1O[C@@H](C)c1ccccc1	736121621	ONVJICQNEBPQMG-LBPRGKRZSA-N	316.332	3.957	50	20	DHGD	
O=C(NN=Cc1c[nH]c2ccc(F)cc12)c1c[nH]c2ccccc12	747042731	RIUQHXMQPDCYBF-UHFFFAOYSA-N	320.327	3.552	50	20	DHGD	
CC(C)=CCC/C(C)=C/C=NNC(=O)Cc1cn2ccccc2n1	747635949	ACZGRIJTGRVQOV-NULHBRPVSA-N	324.428	3.672	50	20	DHGD	
CC(CCc1ccco1)=NNC(=O)c1ccc(Cl)cc1F	747645972	IMQZIDSLAMISDF-UHFFFAOYSA-N	308.740	3.811	50	20	DHGD	
CC[C@H](Oc1cccc(C)c1)C(=O)NNc1ccccc1Cl	748315121	PNHPXWZTAFHBKE-INIZCTEOSA-N	318.804	3.949	50	20	DHGD	
CC(C[C@@H]1CCOC1)=NNC(=O)c1ccc(Cl)cc1Cl	751521366	NFZIQRFKZKBLTC-JTQLQIEISA-N	315.200	3.526	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C(C)CC2CCCC2)o1	752728180	QUGDCUQJHLDYCB-UHFFFAOYSA-N	319.449	3.807	50	20	DHGD	
COc1ccccc1SCC(=O)NN=C1CCC[C@@H]1C(C)C	761272075	SIPHOCFJTPIFTK-CYBMUJFWSA-N	320.458	3.716	50	20	DHGD	
CCCCCC(C)=NNC(=O)c1cc(-c2ccc(F)cc2)[nH]n1	764809396	IVTWCEKQOCURCA-UHFFFAOYSA-N	316.380	3.902	50	20	DHGD	
CCc1cnccc1C(C)=NNC(=O)CCCc1ccccc1	765572438	ROZNYQMFLWXZPZ-UHFFFAOYSA-N	309.413	3.507	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)NCc2ccccc2)cc1Cl	766289844	SWHYZJMKOWIBIL-CXUHLZMHSA-N	310.784	3.872	50	20	DHGD	
COc1ccc(F)cc1NC(=O)[C@@H](Br)C(C)(C)C	768373436	DGPKUMYHWQFHJG-LLVKDONJSA-N	318.186	3.582	50	20	DHGD	
Cc1ccc2cc(C(=O)OC[C@H](C)CBr)ccc2n1	770403428	ILXGXZDUYKJBDO-SNVBAGLBSA-N	322.202	3.731	50	20	DHGD	
CC(CCCC(F)(F)F)=NNC(=O)CCc1ccccc1	774378700	KPAUIYLTUPHPLT-UHFFFAOYSA-N	300.324	3.844	50	20	DHGD	
COc1cc(NNC(=O)N[C@@H]2CCCC2(C)C)ccc1Cl	789062542	HFJNJDARCOPMQY-CYBMUJFWSA-N	311.813	3.553	50	20	DHGD	
COc1cc(NNC(=O)[C@H](C)c2cccs2)ccc1Cl	790189997	WVFQBURPXCFRQJ-SECBINFHSA-N	310.806	3.657	50	20	DHGD	
CCCCCCOc1ccc(C=NN(C)C(=O)OC)cc1OC	794961239	KSCWDXNJIGQIJX-UHFFFAOYSA-N	322.405	3.686	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1c(F)cccc1Cl)c1cccnc1	797992031	LOJCWZPTNLARME-CQSZACIVSA-N	321.783	3.757	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1cccc(C)c1[N+](=O)[O-]	799758577	ROXYRAWSBDWJDY-UHFFFAOYSA-N	313.357	3.531	50	20	DHGD	
CC(C)c1ccc2cc(C(=O)NNc3cccc(F)n3)[nH]c2c1	804770860	VYCVGSWEGBWKLC-UHFFFAOYSA-N	312.348	3.582	50	20	DHGD	
Cc1ccc2c(c1)[C@@H](NC(=O)NNc1cccc(C#N)c1)CCC2	807616532	WPUKFTFHQFAUSZ-SFHVURJKSA-N	320.396	3.570	50	20	DHGD	
O=C(NNc1ccccc1C(F)(F)F)c1ncccc1Cl	814268822	ISPPDCMACLDJTG-UHFFFAOYSA-N	315.682	3.511	50	20	DHGD	
CCc1ccc(C(=O)NN=Cc2ccc(SC)s2)cc1	814745338	QOYFLUTTWKXPRH-UHFFFAOYSA-N	304.440	3.796	50	20	DHGD	
CC[C@@H](C=NNC(=O)c1ccc(Cl)nc1)c1ccccc1	814810042	WFJRJACGNRITOF-LBPRGKRZSA-N	301.777	3.644	50	20	DHGD	
Cc1cccc(C(=O)NN=C2CC[C@@H](Cc3ccccc3)C2)n1	814921148	DIELYFZTTUKOBI-INIZCTEOSA-N	307.397	3.519	50	20	DHGD	
CCc1noc(C)c1CNCc1ccc(OCCCCl)cc1	816638257	GQYMHCXIHKEAFB-UHFFFAOYSA-N	322.836	3.843	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(Cl)n1)c1ccc(F)cc1	817010316	WDYBRIBBUUKZMG-JTQLQIEISA-N	307.756	3.511	50	20	DHGD	
O=C(NNc1ccc(OC(F)F)cc1)C1CCC2(CC1)CC2	830806391	LTSQAYATUCXUTK-UHFFFAOYSA-N	310.344	3.702	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C/c1cnn(-c2ccc(OC)cc2)c1	834421300	PBYUCFJCCBUPGA-MHWRWJLKSA-N	323.396	3.793	50	20	DHGD	
CO[C@H]1CCC[C@H](CC(=O)NNc2c(C)cccc2Cl)C1	836937577	YWHKYQZKCJKTKA-STQMWFEESA-N	310.825	3.687	50	20	DHGD	
Cc1cccc(C(C)C)c1NNC(=O)Nc1ccc(CN)cc1	841321666	AQCBWQQOZLVYJQ-UHFFFAOYSA-N	312.417	3.726	50	20	DHGD	
CC[C@@H](NC(=O)NNc1cc(F)ccc1C)c1c(C)noc1C	853911763	UFJWVGGGVVVUMJ-CYBMUJFWSA-N	320.368	3.516	50	20	DHGD	
C=C[C@@](C)(CC)C(=O)NNc1nc2ccc(Cl)cc2s1	856235198	SRLIHFZHLQHCPU-AWEZNQCLSA-N	309.822	3.995	50	20	DHGD	
CC[C@H](Cc1cccs1)NC[C@@]1(C)C[C@@H]1Br	857066131	XZMOVZVUQSDXLO-KGYLQXTDSA-N	302.281	3.832	50	20	DHGD	
CCc1ccc(C=NNC(=O)c2ccc3ccccc3n2)cc1	916242886	LMIOEBZATYAIIT-UHFFFAOYSA-N	303.365	3.561	50	20	DHGD	
CCCCOc1ccc(C=NNC(=O)CC(C)C)cc1OCC	916342568	FQSFWHYLOIAFLU-UHFFFAOYSA-N	320.433	3.760	50	20	DHGD	
N#C/C(=C/c1ccc(Cl)c(F)c1)C(=O)NC1CCCCC1	921261968	MLZHJJWAQCYIIR-WQLSENKSSA-N	306.768	3.835	50	20	DHGD	
O=C(CCl)Nc1cccc(Cl)c1SCC(F)F	1253967796	BRZYNXOMJLLNDN-UHFFFAOYSA-N	300.157	3.875	50	20	DHGD	
c1cncc(Cc2nnc(CCCC[C@H]3CCSS3)o2)c1	1261429744	LXYPAGNSAMXLDG-ZDUSSCGKSA-N	321.471	3.922	50	20	DHGD	
COc1cc(C=NNC(=O)c2ccc3ccccc3c2)ccc1F	1319467081	CKXJGLFYLHAVLA-UHFFFAOYSA-N	322.339	3.751	50	20	DHGD	
O=C(NCc1ccc(-c2cnco2)cc1)C1CCC(Cl)CC1	1347674291	LJBVRAVDCIJQJP-UHFFFAOYSA-N	318.804	3.755	50	20	DHGD	
Cc1ccc(/C=C(\C#N)C(=O)OCc2cccc(F)c2F)cc1	16657093	ZBDQNAVCNYZPMI-OQLLNIDSSA-N	313.303	3.924	50	20	DHGD	
Cc1cccc(NNC(=O)CCCCOc2cccc(C#N)c2)c1	111558180	PVSQJKWFTSBIPS-UHFFFAOYSA-N	323.396	3.559	50	20	DHGD	
Cc1ccc(NNC(=O)c2csc(Cc3ccccc3)n2)cc1	120917926	PZXUZBISDLAWNZ-UHFFFAOYSA-N	323.421	3.799	50	20	DHGD	
COCCOc1cccc(/C=C(/C#N)c2nc(C)c(C)s2)c1	125398835	RBDQJLMZAWVOQA-DHDCSXOGSA-N	314.410	3.849	50	20	DHGD	
C[C@@H](CBr)CN1CCC(c2ccc(O)cc2)CC1	133525733	LTGHHJBKGRFTBY-LBPRGKRZSA-N	312.251	3.603	50	20	DHGD	
N#C/C(=C/c1csc(C2CC2)n1)C(=O)OC1CCCCC1	148648771	JGTJUVSMGMERDK-WQLSENKSSA-N	302.399	3.803	50	20	DHGD	
C[C@H](NC(=O)/C(C#N)=C/c1cc(F)cc(F)c1)c1ccccc1	158671356	UUHQWRINWRSPDK-QNKXHIPISA-N	312.319	3.749	50	20	DHGD	
COCc1cccc(/C=C(\C#N)C(=O)N(C)C2CCCCC2)c1	174061214	MJHXIFNWESUULS-SFQUDFHCSA-N	312.413	3.531	50	20	DHGD	
COc1ccc(F)cc1C(=O)NNc1ccc(C(C)(C)C)cc1	181151936	IQEWFBVHZFLNHR-UHFFFAOYSA-N	316.376	3.889	50	20	DHGD	
COc1ccc(NC(=O)NNc2nc3ccccc3cc2C)cc1	181410470	FSDFWEDJDNZVOS-UHFFFAOYSA-N	322.368	3.700	50	20	DHGD	
CCCCc1ccc(NC(=O)NNC(=O)OC(C)(C)C)cc1	182870822	YSPBGRPXPNKOEG-UHFFFAOYSA-N	307.394	3.590	50	20	DHGD	
N#C/C(=C\c1ccc(O)cc1)C(=O)NCCC1=CCCCCC1	194866702	XFZIDVUFQJASKU-GHRIWEEISA-N	310.397	3.696	50	20	DHGD	
Cc1ccc2nc([C@H]3CC[C@@H](Br)C3)nc(O)c2c1	277519830	NWDRQLDZVRTGCX-VHSXEESVSA-N	307.191	3.675	50	20	DHGD	
CC(C)(C(=O)N1CC=C(C#N)CC1)c1cccc2ccccc12	297222495	SVWFOOUZGPZIJA-UHFFFAOYSA-N	304.393	3.800	50	20	DHGD	
CCC[C@H]1CCCC[C@H]1NC(=O)NNc1cccc(C#N)c1	728400478	NSYSFHQUUIZKIU-GOEBONIOSA-N	300.406	3.543	50	20	DHGD	
CC(=NNC(=O)c1cccc2ncccc12)c1ccc(C)cc1	730146716	FAPUDEKYZADWMR-UHFFFAOYSA-N	303.365	3.697	50	20	DHGD	
Cc1cc(NNC(=O)[C@H]2C[C@H]3CC[C@H]2C3)ccc1Br	734253225	PDQHDRYAIWYHCT-GVXVVHGQSA-N	323.234	3.637	50	20	DHGD	
C#CCOc1ccc(/C=C(\C#N)c2nc3cccc(C)c3[nH]2)cc1	735616874	LFQBZTSIHBLAGJ-FOWTUZBSSA-N	313.360	3.948	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CO[C@@H]2CCC[C@@H](C)C2)c(C)c1	743764367	OFACRZWFDQXOSF-MLGOLLRUSA-N	304.434	3.650	50	20	DHGD	
Cc1cc(C)c(NNC(=O)CCOCc2ccccc2)c(C)c1	743765466	RONOTPKUXCBOHV-UHFFFAOYSA-N	312.413	3.662	50	20	DHGD	
CCC[C@@H](C)C(CC)=NNC(=O)C(=O)Nc1ccc(C)c(C)c1	748244475	OZPMTWMFODAVLD-CYBMUJFWSA-N	317.433	3.560	50	20	DHGD	
Cc1ccc(C(=O)NNc2cccc([N+](=O)[O-])c2C)cc1Cl	748666508	YDMDUIYHCKIJIK-UHFFFAOYSA-N	319.748	3.622	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1Cl)c1ccc(F)cc1O	750537029	PFUCCJSJFASOSG-UHFFFAOYSA-N	315.131	3.595	50	20	DHGD	
Cc1cccc(NC(=O)/C(C#N)=C/c2nc(Cl)cs2)c1C	759069635	AENLVISPBLFLSZ-IZZDOVSWSA-N	317.801	3.959	50	20	DHGD	
Cc1sc(Cl)nc1C(=O)NNc1ccc(Cl)cc1	762896523	FAHRNIVBGFTVRF-UHFFFAOYSA-N	302.186	3.515	50	20	DHGD	
CC[C@H]1CCCC1=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	764790364	QXEFSEMHXIESAC-AWEZNQCLSA-N	324.428	3.989	50	20	DHGD	
C[C@@H](CBr)COC(=O)C[C@@H](C)c1ccc(F)cc1	770371654	BIKPUSXYWRQBQL-WDEREUQCSA-N	317.198	3.894	50	20	DHGD	
C[C@@H](CBr)COC(=O)c1cc(F)cc(Cl)c1	770397481	PSAHBTCPZJOLAX-ZETCQYMHSA-N	309.562	3.667	50	20	DHGD	
Cc1n[nH]c(C)c1/C=C(\C#N)C(=O)c1ccc(F)c(Cl)c1	773159773	JGGZYTINZOTOEP-VZUCSPMQSA-N	303.724	3.609	50	20	DHGD	
CC[C@H](C)n1nc(NC(=O)NNc2cccc(Cl)c2)cc1C	775713053	FVWPWSPAKBEMNE-JTQLQIEISA-N	321.812	3.965	50	20	DHGD	
N#C/C(=C/C1CC1)C(=O)OCc1csc(C2CCCC2)n1	786680805	NJJLOFRFEOXXPE-QPEQYQDCSA-N	302.399	3.704	50	20	DHGD	
CC(C)[C@@H]1CCC[C@H](NC(=O)/C(C#N)=C\c2ccc(O)cc2)C1	787316814	ADJXQWGZZHGXFX-YPHUTHRFSA-N	312.413	3.630	50	20	DHGD	
Cc1cccnc1NNC(=O)[C@@H](C)c1c(Cl)cccc1Cl	791217802	ZNOSMZKRMQLFGC-JTQLQIEISA-N	324.211	3.944	50	20	DHGD	
N#C/C(=C/c1ccc(O)cc1)C(=O)N[C@H]1CCCCC12CCCC2	794659387	SJPYQODZDMDEFS-ZUTYSQTGSA-N	324.424	3.918	50	20	DHGD	
CCC(C)(C)C(=O)/C(C#N)=C/c1cc2c(cc1OC)C[C@H](C)O2	794874407	KYIDIBGTOFDDBU-AAWHYMEISA-N	313.397	3.931	50	20	DHGD	
Cc1cnc(CNC(=O)NNc2c(C)cccc2C(C)C)s1	813086517	LIPVURHNIFPTBM-UHFFFAOYSA-N	318.446	3.710	50	20	DHGD	
C=CCCC(CCC)=NNC(=O)CCc1ccc(OC)cc1	814814764	ZARWLWBXPVSZGO-UHFFFAOYSA-N	302.418	3.866	50	20	DHGD	
CC(CC(C)(C)C)=NNC(=O)c1cc(-c2cccs2)[nH]n1	834964288	SMSUKQPWDLWVJG-UHFFFAOYSA-N	304.419	3.680	50	20	DHGD	
CC(C)c1ccc(NNC(=O)C[C@H]2OCCc3ccccc32)cc1	837053510	DZUJXGAAKDRMTN-LJQANCHMSA-N	324.424	3.957	50	20	DHGD	
O=C(CC1CCSCC1)NNc1cccc(Cl)c1Cl	838348787	MYTVCUHEYPCRGI-UHFFFAOYSA-N	319.257	3.970	50	20	DHGD	
COC[C@H](C)N1CCC(CO[Si](C)(C)C(C)(C)C)CC1	844344966	CNUDAKKCNCLLLB-AWEZNQCLSA-N	301.547	3.755	50	20	DHGD	
CCc1nsc(N2CC[C@H](O[Si](C)(C)C(C)(C)C)C2)n1	853897270	BTZAHZAFVCOHLT-NSHDSACASA-N	313.543	3.701	50	20	DHGD	
CC[C@@H](C)C(=O)NNc1ccc(Cl)cc1Br	856233208	GYQNDPIVMAZKAL-SSDOTTSWSA-N	305.603	3.592	50	20	DHGD	
C[C@]1(CN[C@H]2CCCc3ccc(O)cc32)C[C@H]1Br	857083121	TYXDCPSMQAINFX-RRFJBIMHSA-N	310.235	3.533	50	20	DHGD	
CC[C@H](CC(F)(F)F)C(=O)NNc1ccc(F)c(Cl)c1	863082342	JKZKQTGSNHXURJ-SSDOTTSWSA-N	312.694	3.901	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@H]1CCN(C(=O)[C@@]2(C)CC2(F)F)C1	912581332	GSJQRUWPQLRGBS-SMDDNHRTSA-N	319.468	3.654	50	20	DHGD	
Cc1cccc(C)c1NC(=O)/C(C#N)=C1/COc2ccc(F)cc21	918154359	KYFBPJHXNIATNV-NXVVXOECSA-N	322.339	3.751	50	20	DHGD	
COc1ccc(CCC(=O)NN=C/C(C)=C\c2ccccc2)cc1	920378036	SOIASRIETMAMLN-WNHLMRBKSA-N	322.408	3.833	50	20	DHGD	
Cc1cccc2c1OCCC2=NNC(=O)c1ccccc1Cl	1115892755	KYMOEKHBRCHTTD-UHFFFAOYSA-N	314.772	3.565	50	20	DHGD	
Cn1nc(C(C)(C)C)cc1NC(=O)NNc1cccc(Cl)c1	1320696624	QLOHCAGWFOKJHU-UHFFFAOYSA-N	321.812	3.520	50	20	DHGD	
CCOc1ccc(NNC(=O)c2cc(C)n(C3CC3)c2C)cc1	1347732656	CYDDBNSTDHWDHW-UHFFFAOYSA-N	313.401	3.595	50	20	DHGD	
Cc1ccccc1/C=C(/C#N)S(=O)(=O)c1ccc(Cl)cc1	33826410	VHLDZXHOAOXRBN-YBEGLDIGSA-N	317.797	3.987	50	20	DHGD	
CC(C)(C)OC(=O)NNC(=S)Nc1ccc2ccccc2c1	44052066	DIFPKQWDTCOFKQ-UHFFFAOYSA-N	317.414	3.566	50	20	DHGD	
CCCCOc1ccc(C(=O)NNc2ccc(F)cc2)cc1	45971840	ABLIYSIXSOBJEI-UHFFFAOYSA-N	302.349	3.762	50	20	DHGD	
N#C/C(=C\c1ccc2c(c1)CCO2)C(=O)Nc1ccccc1Cl	54801892	WQLNMQAHTMBHNO-GXDHUFHOSA-N	324.767	3.821	50	20	DHGD	
Cc1cccc(NNC(=O)CCCOc2ccccc2Cl)c1	104115479	BKDWBWRYMMKWPF-UHFFFAOYSA-N	318.804	3.951	50	20	DHGD	
COc1cc(F)cc(NNC(=O)Nc2ccc(C)c(C)c2)c1	122280664	YRHWJUUYJQYTET-UHFFFAOYSA-N	303.337	3.600	50	20	DHGD	
Cc1nn(-c2ccccc2)c(C)c1NC(=O)NNc1ccccc1	125638001	FRFPBNDABKEVMD-UHFFFAOYSA-N	321.384	3.638	50	20	DHGD	
O=C(CCC1CCOCC1)NNc1c(Cl)cccc1Cl	133364400	MKYPDOFUGPYZMI-UHFFFAOYSA-N	317.216	3.643	50	20	DHGD	
Cc1cccc(NNC(=O)c2ccccc2NCc2ccco2)c1	134557358	QQEGGJKRQTWZAD-UHFFFAOYSA-N	321.380	3.957	50	20	DHGD	
O=C(NNc1cccc(F)c1)c1ccc(F)c(C(F)(F)F)c1	154879087	MBMPRGZUTULXLS-UHFFFAOYSA-N	316.229	3.741	50	20	DHGD	
CN(C)c1cccc(C(=O)NNc2c(Cl)cccc2Cl)c1	159939964	KXMBTBMBROIXJH-UHFFFAOYSA-N	324.211	3.816	50	20	DHGD	
Cc1cc2cc(NC(=O)/C(C#N)=C\c3ccc(O)cc3)ccc2[nH]1	188162788	GJKYQGIAPKAELP-DHDCSXOGSA-N	317.348	3.728	50	20	DHGD	
Cc1nc([C@@H](C)OC(=O)CCCC[C@@H]2CCSS2)no1	191683865	WLNOIAPBPGDZIK-MWLCHTKSSA-N	316.448	3.696	50	20	DHGD	
Cc1cc(C)cc(NNC(=O)c2cc3ccccc3nc2C)c1	192475726	DPOFBSSUEYXDDY-UHFFFAOYSA-N	305.381	3.917	50	20	DHGD	
CCCCc1oc2ccccc2c1/C=C(\C#N)C(N)=C(C#N)C#N	193769254	YCAJEBLSRRLJGQ-UKTHLTGXSA-N	316.364	3.942	50	20	DHGD	
CCOc1ccccc1/C=C(/C#N)C(=O)N[C@@H](C)c1ccccc1	210669907	CSAOJUYWYUGPLB-LUJRCDHRSA-N	320.392	3.870	50	20	DHGD	
Cc1ccc(CN(C)/C(=C\C#N)c2ccc([N+](=O)[O-])cc2)s1	254955047	JXMWILBHYMKDFX-SXGWCWSVSA-N	313.382	3.961	50	20	DHGD	
COc1ccc(Br)cc1/C=C(/C#N)C(=O)CC(C)C	255166398	YIMJLDAJPOKJMY-GHXNOFRVSA-N	322.202	3.980	50	20	DHGD	
O=C(CCC(F)(F)F)NNc1c(Cl)cccc1Cl	268747535	RSAJLFMXMFSFEV-UHFFFAOYSA-N	301.095	3.779	50	20	DHGD	
CC(=O)c1cccc(C(=O)NNc2ccc(C(C)(C)C)cc2)c1	272836886	PRYDHZONUNKSKB-UHFFFAOYSA-N	310.397	3.944	50	20	DHGD	
Cc1csc([C@H](NC[C@@H](C)CBr)C2CC2)n1	309424746	KGCNTYTYQCCXPV-GZMMTYOYSA-N	303.269	3.523	50	20	DHGD	
N#C/C(=C\c1ccsc1Cl)C(=O)NCc1ccccc1	491105874	QXWFIRAZPHJHJZ-MDWZMJQESA-N	302.786	3.625	50	20	DHGD	
CC[C@H](C(=O)NN=C(C)c1ccc(F)cc1F)c1ccccc1	731931120	BVDHLTQPPSXMHA-HNNXBMFYSA-N	316.351	3.999	50	20	DHGD	
CN(C)c1ccc(C=NNC(=O)c2cccc3ccccc23)s1	741462580	KIBMVMOYJBOYOJ-UHFFFAOYSA-N	323.421	3.731	50	20	DHGD	
CC(=NNC(=O)c1cccc2ccccc12)c1ccc(C#N)cc1	741465730	UMXVGEPKARIKQP-UHFFFAOYSA-N	313.360	3.865	50	20	DHGD	
CCc1ccc([C@H](C)CC(=O)NNc2ccc(Cl)nc2)cc1	743816554	SGAMESWKABSWKW-GFCCVEGCSA-N	317.820	3.934	50	20	DHGD	
Cc1cc(Br)ccc1NNC(=O)/C=C1\CC[C@@H](C)C1	748754105	HCXLHLXLNRRLCO-QSARLWQPSA-N	323.234	3.947	50	20	DHGD	
O=C(NN=Cc1ccccc1C1CC1)c1ccc(O)c(Cl)c1	751132715	HBJYXUBTSLDXIR-UHFFFAOYSA-N	314.772	3.687	50	20	DHGD	
CC[C@H](Cc1ccccc1)NC(=O)/C(C#N)=C/c1ccc(F)cc1	751956253	QBUYUXGCQFAUCX-XYSGSMRZSA-N	322.383	3.870	50	20	DHGD	
CC[C@]1(C)CCCN(C(=O)/C(C#N)=C/c2ccc(F)cc2)C1	752484201	FHOQNKZJOVEEDY-HAZIXKIPSA-N	300.377	3.771	50	20	DHGD	
CC[C@@H]1CC[C@H](C(=O)Oc2ccc([N+](=O)[O-])c3ccccc23)O1	757420988	ABBQNLYTEGOMED-BDJLRTHQSA-N	315.325	3.611	50	20	DHGD	
Cc1cc(C=NNC(=O)CCSc2ccc(F)cc2)c(C)o1	767897297	VTGAVXUMNGXMLE-UHFFFAOYSA-N	320.389	3.668	50	20	DHGD	
CCNC(=O)N(C)NC(=O)Nc1c(C(C)C)cccc1C(C)C	768548592	ZNQXOFIMAIQCQI-UHFFFAOYSA-N	320.437	3.631	50	20	DHGD	
Cc1cc(OCC(=O)NNc2c(C)cccc2F)ccc1Cl	771706659	DPGFZYJQFQDTHJ-UHFFFAOYSA-N	322.767	3.618	50	20	DHGD	
Cc1cccc2nc(/C(C#N)=C/c3ccc(C#N)cc3F)[nH]c12	772798760	YABDHGGSHBOQHZ-RIYZIHGNSA-N	302.312	3.946	50	20	DHGD	
CCCC(CC)=NNC(=O)c1cc(-c2cc(C)ccc2C)[nH]n1	776187224	CVRXNUSTQLJGLS-UHFFFAOYSA-N	312.417	3.989	50	20	DHGD	
N#C/C(=C/c1ccc(F)nc1)C(=O)c1ccc(OC(F)F)cc1	777468162	PGXLYHVWHILLRQ-GHXNOFRVSA-N	318.254	3.612	50	20	DHGD	
C[C@@H]1CCCN(S(=O)(=O)CCCCCl)c2ccccc21	780838270	CINJHOMAJOWCRY-CYBMUJFWSA-N	315.866	3.739	50	20	DHGD	
CC(C)(C)[C@@H](Br)C(=O)Nc1cc(Cl)ccc1O	781098357	SBJGBKQSWJWALN-JTQLQIEISA-N	320.614	3.794	50	20	DHGD	
C[C@H](OC(=O)/C(C#N)=C/c1ccccc1)C(=O)c1ccc(F)cc1	785345701	RPLMJZGIKAIGIA-XDUBLRSXSA-N	323.323	3.547	50	20	DHGD	
Cc1oc(-c2ccccc2)nc1COC(=O)/C(C#N)=C/C1CC1	786678239	PSPVPQSJRHIHKQ-OQLLNIDSSA-N	308.337	3.553	50	20	DHGD	
CCc1cccc(Cl)c1C=NNC(=O)Cc1ccccc1F	788714347	YDWBKMGUXFHLCI-UHFFFAOYSA-N	318.779	3.734	50	20	DHGD	
C[C@@H](CC(=O)NNc1cccc(F)c1[N+](=O)[O-])C1CCCCC1	790593877	ANOKULPVZPGJBO-NSHDSACASA-N	323.368	3.784	50	20	DHGD	
N#C/C(=C/c1c(Cl)oc2ccccc12)C(=O)C1CCOCC1	794958934	PQZVSRGEIHTQIZ-XFXZXTDPSA-N	315.756	3.989	50	20	DHGD	
CC(C)[C@@H](C(=O)NNc1ccccc1Cl)c1cccnc1	797947100	MJSBOZOLZMZLPI-OAHLLOKOSA-N	303.793	3.618	50	20	DHGD	
CN(CC(Cl)Cl)C(=O)c1cccc(C(F)(F)F)c1	808247995	ZJUBOAYAXOQRGE-UHFFFAOYSA-N	300.107	3.581	50	20	DHGD	
Cc1cc(C(=O)/C=C\c2ccc(OCCCCl)cc2)n(C)n1	811693244	GPXPFHNVWKSNKY-TWGQIWQCSA-N	318.804	3.632	50	20	DHGD	
CSCC[C@H](C)NC(=O)NNc1c(C)cccc1C(C)C	813077743	ZYXBAUSFLXCXIS-ZDUSSCGKSA-N	309.479	3.886	50	20	DHGD	
CCC[C@@H](CC(C)C)C(=O)NNc1nccnc1C1CCC1	832020302	HUMSAAVTQBNXEQ-AWEZNQCLSA-N	304.438	3.650	50	20	DHGD	
CCOc1ccc(NNC(=O)Nc2scnc2C(C)C)cc1	836744554	FIKCRCKTAHRKDS-UHFFFAOYSA-N	320.418	3.814	50	20	DHGD	
CCO/C=C(\C#N)C(=O)NC[C@@H]1CCCC[C@H]1c1ccccc1	837067458	ZLTJDGMTSAYSJC-RMFBKJGXSA-N	312.413	3.521	50	20	DHGD	
CCCCS(=O)(=O)/C(C#N)=C/c1c(F)cc(C)cc1Cl	840718197	AKJSCNJTTVKUJX-DHZHZOJOSA-N	315.797	3.867	50	20	DHGD	
O=C(C[C@@H]1CCCCO1)NNc1ccccc1Cc1ccccc1	846464956	WFZFMQQQHBVYCZ-SFHVURJKSA-N	324.424	3.680	50	20	DHGD	
CC(C)COc1ccccc1C(=O)N(C)CC(Cl)Cl	848081863	OYBYWIVRAGPOSH-UHFFFAOYSA-N	304.217	3.597	50	20	DHGD	
CC(C)(C)[Si](C)(C)OCCOc1ccccc1-n1cncn1	853720151	VVADJWKPCITDTB-UHFFFAOYSA-N	319.481	3.668	50	20	DHGD	
O=C(C[C@@H]1CC[C@@H]2C[C@H]12)NNc1nc2ccc(Cl)cc2s1	856235586	BOSDRHFOPPIKNS-YWVKMMECSA-N	321.833	3.829	50	20	DHGD	
CN(C(=O)NC[C@]1(C)C[C@H]1Br)C1CCCCCC1	856951092	PAXFGMITMRKBSF-OCCSQVGLSA-N	317.271	3.524	50	20	DHGD	
CCCN(N=Cc1cccc2[nH]ncc12)C(=O)OC(C)(C)C	863112219	QGRYYABDTLJEBY-UHFFFAOYSA-N	302.378	3.544	50	20	DHGD	
N#C/C(=C/c1ccsc1C(F)(F)F)C(=O)NC1CCCC1	863181085	HPHRPQUCNGGZGO-YFHOEESVSA-N	314.332	3.733	50	20	DHGD	
C[C@@]1(C(=O)Nc2cccc(C(F)F)c2)C[C@@H]1Br	906500995	KBKZBDCHMHSWOA-JOYOIKCWSA-N	304.134	3.736	50	20	DHGD	
C/C(C=NNC(=O)c1cccc(N(C)C)c1)=C/c1ccccc1	916281089	QEZMYQNSBFGBGR-PQPPEWTESA-N	307.397	3.572	50	20	DHGD	
Cc1ccc(C)c(C=NNC(=O)C23CC4CC(CC(C4)C2)C3)c1	916308778	UKAYLJUOQYQJIL-UHFFFAOYSA-N	310.441	3.970	50	20	DHGD	
CC(=NNC(=O)Cc1csc(C)n1)c1ccc(C(C)C)cc1	916317312	INRZKUJPPFAOSD-UHFFFAOYSA-N	315.442	3.658	50	20	DHGD	
CSc1ccc(C(=O)Oc2ccc([N+](=O)[O-])c(C)c2)cc1	917368319	MRNPWCSARLAULW-UHFFFAOYSA-N	303.339	3.844	50	20	DHGD	
CCCNC(=O)NN=Cc1ccc(-c2ccccc2Cl)o1	920989503	LZNINYQZDWBDRM-UHFFFAOYSA-N	305.765	3.643	50	20	DHGD	
Cc1cc(Cl)ccc1NNC(=O)CCCc1nccs1	928337902	XDALMJFFGKNNRQ-UHFFFAOYSA-N	309.822	3.571	50	20	DHGD	
Cc1cc(NNC(=O)[C@@H]2CC23CCSCC3)ccc1Cl	928339316	CDXMDZBHDDBZKQ-LBPRGKRZSA-N	310.850	3.625	50	20	DHGD	
CC(Cc1ccccc1Cl)=NNC(=O)c1ccccc1F	1318751726	QXAPQZUCFKFAIV-UHFFFAOYSA-N	304.752	3.828	50	20	DHGD	
O=C(CCl)N1CCC(c2nc(-c3ccccc3)cs2)CC1	1319786027	UGAIVZABOCPJET-UHFFFAOYSA-N	320.845	3.755	50	20	DHGD	
CCc1nc([C@@H](C)NC(=O)c2cccc(CCl)c2)cs1	1338848714	XYHZARLRXAGQSX-SNVBAGLBSA-N	308.834	3.935	50	20	DHGD	
COc1ccc(NC(=O)/C(C#N)=C/c2ccccc2)cc1Cl	5745089	XRBHGOQHDCHEFR-UKTHLTGXSA-N	312.756	3.894	50	20	DHGD	
COc1ccc(/C=C(/C#N)C(=O)c2ccc(C)s2)cc1OC	105571043	RZYJKGAYBNAXIY-JYRVWZFOSA-N	313.378	3.864	50	20	DHGD	
Cc1cccc(NNC(=O)Cc2c[nH]c3cc(Cl)ccc23)c1	109427260	BJMVCIVIQPTTDZ-UHFFFAOYSA-N	313.788	3.816	50	20	DHGD	
CC[C@@H]1CN(C(=O)CCCC[C@@H]2CCSS2)C[C@H](C)O1	111010459	HXTQOWKZJVVACC-BFHYXJOUSA-N	317.520	3.726	50	20	DHGD	
O=C(NNc1ccccc1)c1ccccc1Oc1cccnc1	111551034	ZHLZKSMLWBFJGN-UHFFFAOYSA-N	305.337	3.631	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1)c1cc(-c2cccs2)n[nH]1	120330141	OCWRHTZXINJXMN-UHFFFAOYSA-N	318.789	3.549	50	20	DHGD	
Cc1occc1C(=O)NNc1cc(C(F)(F)F)ccc1F	128652215	DONAJKOOQGOXDP-UHFFFAOYSA-N	302.227	3.503	50	20	DHGD	
O=C(NNc1ncc(Cl)cc1Cl)c1cc2ccccc2o1	132447530	YEWPJSNJLSYOQK-UHFFFAOYSA-N	322.151	3.892	50	20	DHGD	
O=C(CCC1CCCC1)NNc1nc(C(F)(F)F)cs1	152858896	NJJXYLQCMYTZPM-UHFFFAOYSA-N	307.341	3.575	50	20	DHGD	
C[C@H](CCc1ccccc1F)C(=O)NNc1cccc(F)c1	154252480	OJCXCJFCEORMFB-GFCCVEGCSA-N	304.340	3.677	50	20	DHGD	
CC(C)c1ccc(C(=O)NNc2ccnc3ccccc23)cn1	157938526	JDPQIKNZLJFUCI-UHFFFAOYSA-N	306.369	3.510	50	20	DHGD	
CCCn1nc(C)c(/C=C(/C#N)c2nc3ccccc3[nH]2)c1C	160689737	JCNZWCFEULDPTC-UVTDQMKNSA-N	305.385	3.850	50	20	DHGD	
Cc1nc(-c2cccc(C(=O)NNc3ccccc3)c2)cs1	175178400	MNUQLEQBKISCLL-UHFFFAOYSA-N	309.394	3.875	50	20	DHGD	
Cc1nc(CC(=O)NNc2ccc(C(C)(C)C)cc2)c(C)s1	181136845	HDDQRRGMRLQTAH-UHFFFAOYSA-N	317.458	3.743	50	20	DHGD	
CC(C)Cc1csc2nc([C@H](C)Br)[nH]c(=O)c12	184759236	BUIZXJMCSLHWJK-ZETCQYMHSA-N	315.236	3.639	50	20	DHGD	
C[C@@H](c1ccco1)N(C(=O)/C(C#N)=C\c1ccc(O)cc1)C1CC1	188264233	UVOJPTLLKSHUTF-WZMONFQBSA-N	322.364	3.644	50	20	DHGD	
CCOc1ccc(NC(=O)/C(C#N)=C\c2cccc(C#N)c2)cc1	208306877	QZYMEEFYMSHJRQ-WJDWOHSUSA-N	317.348	3.503	50	20	DHGD	
CC[C@@H](NC(=O)/C(C#N)=C/c1ccc(COC)o1)c1ccccc1	276434163	ZHJWUWMYDCHNSL-HAZIXKIPSA-N	324.380	3.600	50	20	DHGD	
N#C/C(=C\c1cnc(-c2ccccc2)s1)C(=O)[C@@H]1CCCOC1	280079967	RCOPRYXUZIIJTA-UWZYDCLUSA-N	324.405	3.713	50	20	DHGD	
CCO/C=C(\C#N)C(=O)Nc1ccccc1-c1csc(C)n1	490665209	YVPYGVYOMREWSS-FMIVXFBMSA-N	313.382	3.501	50	20	DHGD	
N#C/C(=C\c1ccc(F)c2cccnc12)C(=O)Nc1ccccc1	490726465	RHUVRGALKCVZNY-SDNWHVSQSA-N	317.323	3.920	50	20	DHGD	
C[C@@H]1C[C@H](CC(=O)NNC(=O)NC2CCCCC2)CC(C)(C)C1	727364342	SNNUXPAJCHWHRS-ZIAGYGMSSA-N	323.481	3.502	50	20	DHGD	
CC[C@H](C)C(C)=NNC(=O)c1cc(F)ccc1Br	728438394	WCZKWBZCFLGFKP-QMMMGPOBSA-N	315.186	3.740	50	20	DHGD	
Cc1ccccc1NC(=O)NN=Cc1ccnc2ccccc12	731313994	UQAUZTVXQSOLQW-UHFFFAOYSA-N	304.353	3.699	50	20	DHGD	
CC(CCC1CCCCC1)=NNC(=O)CNc1ccccc1	731923511	PGSRPALGVCSVFO-UHFFFAOYSA-N	301.434	3.951	50	20	DHGD	
CC(C[C@H]1CCOC1)=NNC(=O)c1cc2c(s1)CCCCC2	751521113	LHADXBYTYMGMLC-CYBMUJFWSA-N	320.458	3.549	50	20	DHGD	
CC(C)(C)OC(=O)NN=Cc1c[nH]nc1-c1cccc(Cl)c1	755467503	HFLJDCDZUFOAOJ-UHFFFAOYSA-N	320.780	3.589	50	20	DHGD	
Cc1cccc(C)c1C=NNC(=O)c1cc(-c2cccs2)[nH]n1	755791925	TUDKWOPFNZJLGY-UHFFFAOYSA-N	324.409	3.519	50	20	DHGD	
CCC(C)(C)CNC(=O)NNc1ccccc1OC(F)(F)F	759282993	LQHXBNJIWKUUMO-UHFFFAOYSA-N	319.327	3.648	50	20	DHGD	
CCOc1ccc(CN(C)C[C@H](C)CBr)cc1	770647164	WUBNDLWVOVWHDV-GFCCVEGCSA-N	300.240	3.548	50	20	DHGD	
CCC(C)(C)CC(=O)NNc1ccc(Br)c(F)c1	771675585	YGFQZBQOKVFPCX-UHFFFAOYSA-N	317.202	3.858	50	20	DHGD	
CCC[C@@H]1C[C@@H](C(=O)NNc2c(C)cc(C)cc2C)CCO1	780589339	HWPBEZBPMFJMFY-JKSUJKDBSA-N	304.434	3.650	50	20	DHGD	
COC(=O)c1cccc(NNC(=O)CCCC2CCCCC2)c1	780792797	RXPGWXAFZPMCGR-UHFFFAOYSA-N	318.417	3.667	50	20	DHGD	
Cc1occc1C(=O)/C(C#N)=C\c1cc(Cl)cc2c1OCC2	782886282	CYELKPVHAFJMTA-MLPAPPSSSA-N	313.740	3.966	50	20	DHGD	
CCC(CC)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1Cl	783687472	KLDIGFRXSAVHRV-QPEQYQDCSA-N	305.761	3.950	50	20	DHGD	
CCN(CC)Cc1ccc(C(=O)NN=C[C@H]2CCCC[C@H]2C)o1	783837873	QSLHEFLFTNUDBM-HUUCEWRRSA-N	319.449	3.663	50	20	DHGD	
CC1(C(=O)NNc2cccc(F)c2[N+](=O)[O-])CCCCCC1	791075783	IFWXPLDZOJZNNA-UHFFFAOYSA-N	309.341	3.538	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)CCC(=O)c1ccc(C)cc1	799757918	OSGWZRSQXOICHG-UHFFFAOYSA-N	324.424	3.972	50	20	DHGD	
CO[C@@H]1CCN(Cc2ccc(OCCCCl)cc2)[C@H](C)C1	811500546	GPNVDTUZUFXDPU-RHSMWYFYSA-N	311.853	3.694	50	20	DHGD	
O=C(NNc1ncncc1F)C1(C2CCCCC2)CCCCC1	817079120	IPTIZILKMGRSAX-UHFFFAOYSA-N	320.412	3.590	50	20	DHGD	
C[C@H]1CCCC[C@H]1C(=O)NNc1cccc(Br)c1	819408771	DFVCSFNVZSQYFJ-GXFFZTMASA-N	311.223	3.719	50	20	DHGD	
CCc1cccc(C)c1NNC(=O)c1ccc(C2CC2)nc1C	831242875	CYANEAFJJXTLIR-UHFFFAOYSA-N	309.413	3.895	50	20	DHGD	
CC[C@H](C)Oc1ccccc1/C=C\C(=O)NCCCSC#N	854362381	MGEAUVHPKQEEEU-CMUBDUJZSA-N	318.442	3.598	50	20	DHGD	
C[C@H](NNC(=O)[C@@H]1CCCC[C@@H]1c1ccccc1)C(F)(F)F	862320166	GEYJOPLRRFOFIC-IACUBPJLSA-N	314.351	3.532	50	20	DHGD	
Cc1cccc(NNC(=O)C[C@@H]2C[C@H](C)c3c(C)cccc32)n1	862520604	HAZCFMAHKAEXNQ-ZFWWWQNUSA-N	309.413	3.823	50	20	DHGD	
O=C(NNC(=S)Nc1cccc(Cl)c1)C1=CCCCCC1	873787129	VBFXBJLITMFWSC-UHFFFAOYSA-N	323.849	3.548	50	20	DHGD	
CC[C@H](C)Oc1ccc(NC(=O)NNc2ccc(F)cn2)cc1	878436567	LBXTUWSTOOIDND-NSHDSACASA-N	318.352	3.547	50	20	DHGD	
O=C(NNc1ccc(Cl)cc1F)C1CCC(F)(F)CC1	885107415	DWDKGPVVMRSTTP-UHFFFAOYSA-N	306.715	3.748	50	20	DHGD	
CC[C@H]1C[C@H](CC(=O)NNc2ccc(Cl)cc2F)CCO1	885107632	MILPEZHJZWDJLU-PWSUYJOCSA-N	314.788	3.518	50	20	DHGD	
CC(C)(C)[Si](C)(C)O[C@@H]1CCN(C(=O)C2[C@@H]3CCC[C@@H]23)C1	912579938	KMBUOZHMNLSEIT-MGPQQGTHSA-N	309.526	3.655	50	20	DHGD	
CC[C@@](C)(C#N)C(=O)N1CC[C@@H](O[Si](C)(C)C(C)(C)C)C1	912580239	BHTFIASQRRNPPC-CJNGLKHVSA-N	310.514	3.549	50	20	DHGD	
CC(=NNC(=O)C1CCCC1)c1ccc(Br)s1	914836299	GFZXEMPCCXWPCW-UHFFFAOYSA-N	315.236	3.541	50	20	DHGD	
CCC(C[C@@H](C)CC)=NNC(=O)c1cc(OC)cc(OC)c1	915946867	WVAVBLHJOZJSNT-LBPRGKRZSA-N	306.406	3.636	50	20	DHGD	
CC(=NNC(=O)[C@@H](C)Oc1c(C)cc(Cl)cc1C)C(C)C	916342255	ZMIDCIGRRBSJAM-CYBMUJFWSA-N	310.825	3.872	50	20	DHGD	
O=C(CC(F)(F)F)NN=Cc1ccc(-c2ccccc2)cc1	917550485	KIBNKUJSOFFNFV-UHFFFAOYSA-N	306.287	3.756	50	20	DHGD	
C=CCCO[C@H](C)C(=O)NN(Cc1ccccc1)c1ccccc1	921145918	RRDDYHOIAYOQBH-QGZVFWFLSA-N	324.424	3.706	50	20	DHGD	
BrC[C@@H](CN[C@@H](c1ccncc1)C1CC1)C1CC1	934702341	WHMIPMLRBZGWMG-LSDHHAIUSA-N	309.251	3.543	50	20	DHGD	
COc1cc(C)ccc1C(C)=NNC(=O)c1ccccc1Cl	1317745830	RHZWLKJZFPSGQU-UHFFFAOYSA-N	316.788	3.811	50	20	DHGD	
COc1cccc([C@@H](C)C(=O)NNc2ccc(C)c(Cl)c2)c1	1321931757	RRNQTOOZFNPVLZ-GFCCVEGCSA-N	318.804	3.904	50	20	DHGD	
CCC[C@H](C)C(CC)=NNC(=O)c1cncn1-c1ccccc1	1323513644	ZLRBACORTJQZTO-AWEZNQCLSA-N	312.417	3.804	50	20	DHGD