smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
N#C/C=C1/CCc2ccc3c(c21)CCO3	22005762	TUFWVKLKUFXARX-YHYXMXQVSA-N	197.237	2.475	50	30	AEGC	
O=C(F)OCc1ccccc1	33611257	ZDRODIGYILKBLQ-UHFFFAOYSA-N	154.140	2.293	50	30	AEGC	
O=C=NCCc1ccccc1Cl	41201854	XPAMKKQCOJFVSD-UHFFFAOYSA-N	181.622	2.218	50	30	AEGC	in-vitro
CCCc1nnc(CCl)s1	84096307	IQWUYTLZCVLUJU-UHFFFAOYSA-N	176.672	2.229	50	30	AEGC	in-vitro
C[C@@H]1C[C@@H](C)CN(C(=O)Cl)C1	62466296	XKWWTGFKHIQSCM-RNFRBKRXSA-N	175.659	2.323	50	30	AEGC	
CCO[Si](C)(C)CCC#N	195764895	MOIYHLPBTJONEP-UHFFFAOYSA-N	157.289	2.142	50	30	AEGC	
N#C[C@H]1CCCC[C@H]1Cl	75529343	OZYBRLKYABATKS-RNFRBKRXSA-N	143.617	2.308	50	30	AEGC	in-vitro
O=C(CCl)C[C@@H]1C=CCC1	39125553	XZZAFFXDNWYEPQ-SSDOTTSWSA-N	158.628	2.151	50	30	AEGC	
NCC[C@@H]1CCCC[C@@H]1Cl	95934823	NFNYPWPUGNRIQE-YUMQZZPRSA-N	161.676	2.133	50	30	AEGC	
FC(F)(F)c1ocnc1CCl	238583553	QEIPIOQJUXXGAX-UHFFFAOYSA-N	185.532	2.432	50	30	AEGC	
O=C=Nc1sccc1Cl	87721263	KHDWFNCUCBZSIV-UHFFFAOYSA-N	159.597	2.369	50	30	AEGC	
O=C1CCC[C@H]1CCBr	34413106	YVJLOYLDTKXDTK-LURJTMIESA-N	191.068	2.141	50	30	AEGC	in-vitro
O=[N+]([O-])c1ccc(F)cc1CCl	34451956	RRDMOQVRYCINEH-UHFFFAOYSA-N	189.573	2.473	50	30	AEGC	
CP(C)(C)(F)F	103836304	YLYXRFTZNPBMRW-UHFFFAOYSA-N	114.075	2.198	50	30	AEGC	
CCCC[C@@H]1C[C@H](Cl)C(=O)O1	33610083	JRJNBIWGQOPZJU-RQJHMYQMSA-N	176.643	2.100	50	30	AEGC	
ClCC[C@H]1COC2(CCCC2)O1	95829545	WZHUWUXPLOSZLR-QMMMGPOBSA-N	190.670	2.301	50	30	AEGC	
O=C(Cl)CCCC(F)(F)F	145181759	JIEZNTACJYYTDK-UHFFFAOYSA-N	174.549	2.484	50	30	AEGC	in-vitro
C/C=C\CC/C=C/C=O	38634242	CBXNRMOWVZUZQA-BRXUXDTNSA-N	124.183	2.098	50	30	AEGC	
O=C(Cl)C1=Cc2ccccc21	39056179	OFLNKTWSMPAKPO-UHFFFAOYSA-N	164.591	2.306	50	30	AEGC	
O=C=N[C@@H]1CCCc2sccc21	62822087	KWCVBPCODOEVHJ-MRVPVSSYSA-N	179.244	2.461	50	30	AEGC	in-vitro
Cc1ccc([C@H](C)N=C=O)s1	62822149	YAGZNNPMCUPFPR-ZETCQYMHSA-N	167.233	2.453	50	30	AEGC	in-vitro
Br[C@H]1NCc2ccccc21	95931279	QRKTWKCHFMGEBI-QMMMGPOBSA-N	198.063	2.183	50	30	AEGC	
COc1cc(C)nc(CCl)c1	83255478	ZMIAXQOVNUEYJM-UHFFFAOYSA-N	171.627	2.137	50	30	AEGC	in-vitro
Oc1ccccc1CCl	2034016	AUESJGZPPPVYJZ-UHFFFAOYSA-N	142.585	2.131	50	30	AEGC	
ClCc1cc(CCl)on1	100280065	MXNPAQBQMZPNCA-UHFFFAOYSA-N	166.007	2.152	50	30	AEGC	
[C-]#[N+]CCCC1CC1	106562016	KJKMGJKOCXRFIA-UHFFFAOYSA-N	109.172	2.096	50	30	AEGC	
CC(C)[C@H](Cl)C(=O)Cl	39189374	AJCRZNJYNFAQAC-BYPYZUCNSA-N	155.024	2.015	50	30	AEGC	
Cc1nn(C(=O)Cl)cc1Cl	39056577	CQSQYDZUCVVPFN-UHFFFAOYSA-N	179.006	2.052	50	30	AEGC	
O=C(Cl)[C@@H]1C[C@H]2[C@H]3CC[C@H]2[C@H]1C3	257157248	PYUSRMWVTGYHQJ-KVEIKIFDSA-N	184.666	2.434	50	30	AEGC	
COc1ccnc(O[Si](C)(C)C)c1	197990162	AKJJZEFXNULYBU-UHFFFAOYSA-N	197.310	2.304	50	30	AEGC	
Fc1cncc(CCCl)c1	60711233	LLLBSBOIBRLTJQ-UHFFFAOYSA-N	159.591	2.002	50	30	AEGC	
N#C[C@@H]1CC[C@H](Br)C1	83632269	CLTCFOSERODSMX-RITPCOANSA-N	174.041	2.074	50	30	AEGC	in-vitro
CN(CCCCl)C(C)(C)C	49804798	HMYQEPOWVONZGQ-UHFFFAOYSA-N	163.692	2.346	50	30	AEGC	
C#CCC(C)(C)CBr	238157623	XNXIEFGGXNNXRJ-UHFFFAOYSA-N	175.069	2.431	50	30	AEGC	
O=C(Cl)c1onc2ccccc12	95931587	SQOJCCSSLKOMQW-UHFFFAOYSA-N	181.578	2.207	50	30	AEGC	
BrCC1[C@@H]2CCC[C@@H]12	100276271	KNQMXYPZTYQAHD-PHDIDXHHSA-N	175.069	2.427	50	30	AEGC	
CCCC[C@@H]1O[C@H]1CBr	238795607	IAMRQCBIZFTZCT-BQBZGAKWSA-N	193.084	2.339	50	30	AEGC	in-vitro
C[C@H](Cl)C(=O)OCc1ccccc1	117790506	JZYXQRUIIAOBOQ-QMMMGPOBSA-N	198.649	2.357	50	30	AEGC	
C[C@H]1CCCCN1CCCl	6037524	POIJSGZKRFFSLG-QMMMGPOBSA-N	161.676	2.100	50	30	AEGC	
C[C@@H](Cl)C(=O)Oc1ccccc1	39424458	PTFWCFRZCGETRS-SSDOTTSWSA-N	184.622	2.219	50	30	AEGC	
ClCOc1ccccc1	5934011	XBYOCRCRHQJSIG-UHFFFAOYSA-N	142.585	2.262	50	30	AEGC	
F[C@@H](CCl)C(F)(F)Cl	96327864	VLFNFIOWGLHPAV-REOHCLBHSA-N	166.957	2.395	50	30	AEGC	
Br[C@@H]1CC[C@@H]2C[C@H]12	238018422	CVXXZAQAJVPJLE-NGJCXOISSA-N	161.042	2.180	50	30	AEGC	
C[C@@H]1C=C[C@H](C(=O)Cl)CC1	39056102	PMIGTBFMCLEXMP-RQJHMYQMSA-N	158.628	2.354	50	30	AEGC	
BrC[C@@H]1C=CCC1	140657767	XDVAWVNHECPISE-ZCFIWIBFSA-N	161.042	2.348	50	30	AEGC	
N#CSc1cc(F)c(N)c(F)c1	141144498	XCSBZEKIFSFUON-UHFFFAOYSA-N	186.186	2.120	50	30	AEGC	in-vitro
[C-]#[N+]CCc1ccccc1C	95697893	SLVAZQHHIHLWHT-UHFFFAOYSA-N	145.205	2.457	50	30	AEGC	
BrCC[C@@H]1CCCOC1	82955068	BUZZBFQYYPWQMQ-ZETCQYMHSA-N	193.084	2.198	50	30	AEGC	
ClC[C@H]1COc2ccccc2C1	37405178	IWQDLTXWJODHGG-QMMMGPOBSA-N	182.650	2.477	50	30	AEGC	
O=C=NC1(c2ccccc2)CC1	41167506	LFJYWZIPXATEDH-UHFFFAOYSA-N	159.188	2.012	50	30	AEGC	
Cc1ccc([C@@H](O)CCl)cc1	36156239	HNIOYEPFDGBZMW-VIFPVBQESA-N	170.639	2.267	50	30	AEGC	in-vitro
N#C[C@H]1CC[C@@H](Br)C1	83632275	CLTCFOSERODSMX-NTSWFWBYSA-N	174.041	2.074	50	30	AEGC	in-vitro
Br[C@@H]1CC2CC1C2	95922274	BPBRHLYWEZJHFY-JMMWHDCWSA-N	161.042	2.180	50	30	AEGC	
BrC[C@@H]1C2C[C@@H]3C1[C@@H]3C2	196469871	VCVPGKVTMIJZMZ-ANJJMFEHSA-N	187.080	2.283	50	30	AEGC	
CC1(C)CC[C@@H](CBr)O1	95883706	HYAZGHDCDWKRBD-LURJTMIESA-N	193.084	2.339	50	30	AEGC	in-vitro
CC[C@@H]1[C@H](C)[C@H]1Br	306460453	ZJCWEOXZHSXNBG-KVQBGUIXSA-N	163.058	2.426	50	30	AEGC	
C[C@@]1(C(=O)Cl)C[C@@]1(F)Cl	34348306	PFIHCNJKOIKNPW-WHFBIAKZSA-N	170.998	2.066	50	30	AEGC	
ClC[C@@H]1C[C@H]1Br	104718008	ZWVGHLJSROOWQH-IUYQGCFVSA-N	169.449	2.009	50	30	AEGC	
COc1ccc(C)nc1CCl	83610008	WJFGJKMVPPHOAO-UHFFFAOYSA-N	171.627	2.137	50	30	AEGC	
C/C=C/[C@@H](C)Br	2564183	LIPODSDLKCMVON-QLSVQJPWSA-N	149.031	2.346	50	30	AEGC	
ClC[C@@H]1C[C@@H]1Br	104718015	ZWVGHLJSROOWQH-IMJSIDKUSA-N	169.449	2.009	50	30	AEGC	
CC(C)N(C)CCCBr	40989839	SZLSIHUQRKFHRV-UHFFFAOYSA-N	194.116	2.112	50	30	AEGC	
C[C@H](Cl)c1nnc(C(F)F)o1	35658163	QCJFYINTZDFIFM-REOHCLBHSA-N	182.557	2.307	50	30	AEGC	
CCC(=O)CCCBr	36448237	IKRZHUJVIDUZQY-UHFFFAOYSA-N	179.057	2.141	50	30	AEGC	in-vitro
CN(C(=O)Cl)C(C)(C)C	144528511	YTKBJDIEFNJMJI-UHFFFAOYSA-N	149.621	2.076	50	30	AEGC	
C[C@H](Cl)C[C@@H]1CCOC1	575531934	LKPSOUSQVYHRAX-BQBZGAKWSA-N	148.633	2.040	50	30	AEGC	
ClCc1nncn1-c1ccccc1	85346239	YCGKWNHGAIBVBZ-UHFFFAOYSA-N	193.637	2.006	50	30	AEGC	in-vitro
Nc1nc(CCCCCl)cs1	216224846	ZPTOHXROIVCYKY-UHFFFAOYSA-N	190.699	2.287	50	30	AEGC	
BrC1[C@H]2CCC[C@H]12	100240425	ZTAMDWYIUNPWAA-WHFBIAKZSA-N	161.042	2.180	50	30	AEGC	
O=C(Cl)C1(Br)CCC1	118405086	JZIPVZQDLNPPHN-UHFFFAOYSA-N	197.459	2.069	50	30	AEGC	in-vitro
CCCCOC(=O)OCCl	34514057	MBUCWFHXWNITCQ-UHFFFAOYSA-N	166.604	2.136	50	30	AEGC	in-vitro
C[C@H]1C[C@@H](CBr)CCO1	85663711	PLCCUYBFCLNIDM-BQBZGAKWSA-N	193.084	2.196	50	30	AEGC	in-vitro
Br[C@@H]1CC[C@H]2C[C@@H]21	238018939	CVXXZAQAJVPJLE-HCWXCVPCSA-N	161.042	2.180	50	30	AEGC	
C[C@@H]1C[C@@H](C)N(C(=O)Cl)C1	39056208	SIQKTWNLFWXTDW-PHDIDXHHSA-N	161.632	2.076	50	30	AEGC	
O=C(Cl)N1CCC=C(Cl)C1	404345646	MJHGIRWUVUCAND-UHFFFAOYSA-N	180.034	2.174	50	30	AEGC	
CCC(CC)C(=O)Br	33506050	WQSCTLOEMUQLLZ-UHFFFAOYSA-N	179.057	2.344	50	30	AEGC	
BrC1CC=CC1	1756718	GGKPXSIBMKNXJA-UHFFFAOYSA-N	147.015	2.100	50	30	AEGC	in-vitro
FC(F)(F)c1cc(CCl)ncn1	71864072	FKYOOPNTSUPIEQ-UHFFFAOYSA-N	196.559	2.234	50	30	AEGC	
N#C[C@H]1CC[C@H](Br)C1	83632272	CLTCFOSERODSMX-WDSKDSINSA-N	174.041	2.074	50	30	AEGC	in-vitro
[C-]#[N+]C1(CC(=O)OC)CCCCC1	95698036	GGHBYAHUPWLQMB-UHFFFAOYSA-N	181.235	2.172	50	30	AEGC	
CC(C)CC[C@H](O)CCl	104735381	UIGDANNMZNVMNX-ZETCQYMHSA-N	150.649	2.022	50	30	AEGC	in-vitro
O=C(Cl)[C@@H]1[C@H]2Cc3ccccc3[C@H]21	39056971	SHTOUBOAVFMJKJ-IVZWLZJFSA-N	192.645	2.338	50	30	AEGC	
O=C(Cl)N1CCC2(CCC2)C1	885341745	GOGDJKCJVONLKM-UHFFFAOYSA-N	173.643	2.221	50	30	AEGC	
Cc1cccc(C)c1C(=O)F	39056059	AZPMSGXDISJDTE-UHFFFAOYSA-N	152.168	2.413	50	30	AEGC	
CC[C@@H](C1CC1)N(C)C(=O)Cl	885351973	FSFJFJXOWRKHJA-ZETCQYMHSA-N	175.659	2.466	50	30	AEGC	
CCOC(=O)CCCCCCl	2023956	QYZFPLZQMZFBAZ-UHFFFAOYSA-N	178.659	2.349	50	30	AEGC	in-vitro
CCc1cc(CCCCl)on1	34449363	STSJOEBLAVHTDT-UHFFFAOYSA-N	173.643	2.408	50	30	AEGC	
CCCC[C@@H]1O[C@@H]1CBr	238795571	IAMRQCBIZFTZCT-NKWVEPMBSA-N	193.084	2.339	50	30	AEGC	in-vitro
CC(C)CCOCCBr	19414487	DSQWYUVUGUHMMQ-UHFFFAOYSA-N	195.100	2.444	50	30	AEGC	
O=C=NC(Cl)(Cl)C(F)(F)F	26438340	RKWNLYRUPNZVJP-UHFFFAOYSA-N	193.939	2.016	50	30	AEGC	
Cc1cc(CCl)sn1	104737154	INVJRHVKBIWXQZ-UHFFFAOYSA-N	147.630	2.190	50	30	AEGC	
CO[Si](C)(C)O[Si](C)(C)C	195767087	DIBFCVPKSNXGHE-UHFFFAOYSA-N	178.380	2.186	50	30	AEGC	world
O=C=Nc1ccc2cnccc2c1	39119717	LRHXJXZVCUMPPL-UHFFFAOYSA-N	170.171	2.202	50	30	AEGC	
Cc1cc(CCl)nc(CC2CC2)n1	87583801	WPBBHNMJNOUEAR-UHFFFAOYSA-N	196.681	2.476	50	30	AEGC	
CCCSCCCl	1689407	LAZDGCFXCRZCPW-UHFFFAOYSA-N	138.663	2.368	50	30	AEGC	
CC(=O)N(C)N=Nc1ccc(C)cc1	256118240	YWZSIEORQZIPIT-UHFFFAOYSA-N	191.234	2.472	50	30	AEGC	
O=C(O)[C@H](Cl)c1ccccc1F	71500313	JIEJFUNCTYJIBF-SSDOTTSWSA-N	188.585	2.190	50	30	AEGC	
Cc1coc(C)c1C(=O)Cl	36047150	NOEQXZGBSMGWCT-UHFFFAOYSA-N	158.584	2.275	50	30	AEGC	in-vitro
CC1=CC(=O)CC(C)(C)/C1=C\C#N	34515168	WWQZZLRWWQLQRD-WMZJFQQLSA-N	175.231	2.382	50	30	AEGC	
ClCC#Cc1cccs1	40238003	VRMZPIZMEHBLQD-UHFFFAOYSA-N	156.637	2.338	50	30	AEGC	
Br[C@H]1CC2CC1C2	95922275	BPBRHLYWEZJHFY-WRVKLSGPSA-N	161.042	2.180	50	30	AEGC	
ClCc1nnc(C2CCC2)o1	37510702	LZCRVMSETJTUOP-UHFFFAOYSA-N	172.615	2.076	50	30	AEGC	in-vitro
C[C@@H](CO)O[Si](C)(C)C(C)(C)C	196506963	FRYOCKYIGKFINL-QMMMGPOBSA-N	190.359	2.389	50	30	AEGC	in-vitro
CO[C@@H]1CCC[C@H](Br)C1	88107882	SSZDRDDLMFSIGC-NKWVEPMBSA-N	193.084	2.339	50	30	AEGC	
C[C@H]1C(CBr)[C@@H]1C	199066593	MFQQQPVSTWJCMV-RFZPGFLSSA-N	163.058	2.283	50	30	AEGC	
ClCc1conc1C1CC1	725262612	KCVNDOCEHYWKJX-UHFFFAOYSA-N	157.600	2.291	50	30	AEGC	
N#C/C=C(/O)c1ccc(F)cc1	100240655	HERZYRSYOKFCCT-WEVVVXLNSA-N	163.151	2.248	50	30	AEGC	
CCC[C@H](Br)C(C)=O	34160119	OEQXOJMOWATNQN-LURJTMIESA-N	179.057	2.139	50	30	AEGC	
C[C@H](Br)[C@@H]1CCCOC1	85664658	NDQYGDYNCDEWGC-NKWVEPMBSA-N	193.084	2.196	50	30	AEGC	
C[Si](C)(C)OC(=O)c1ccccn1	195789308	MKGLHHAHWDNTEJ-UHFFFAOYSA-N	195.294	2.073	50	30	AEGC	
ClCc1ccn2ccnc2c1	34465625	QHSOLIQVMYMRNN-UHFFFAOYSA-N	166.611	2.073	50	30	AEGC	
CC(C)(C)C1=NO[C@H](CCl)C1	69969704	INXAKGGNNQAHGJ-LURJTMIESA-N	175.659	2.416	50	30	AEGC	
CC(C)N1CCC(CCl)CC1	58827348	NHZPWYJIMDHORZ-UHFFFAOYSA-N	175.703	2.346	50	30	AEGC	
O=C(O)c1ccc(CCl)c(F)c1	125380799	LKCVQVSYLJTTOD-UHFFFAOYSA-N	188.585	2.263	50	30	AEGC	
COc1cc(Cl)ccc1N=C=O	43565472	RIIPUKRPXLRZAF-UHFFFAOYSA-N	183.594	2.316	50	30	AEGC	
C=CC[C@@H](C)Br	111339176	PDBJRGFNXXAAMO-RXMQYKEDSA-N	149.031	2.346	50	30	AEGC	
Cc1nnc([C@H](C)Cl)s1	84097509	IAQDTIXFTDGNAU-VKHMYHEASA-N	162.645	2.146	50	30	AEGC	in-vitro
CCO[P@@](C)(=O)CCl	39116043	TTXWIKOQNODHCO-MRVPVSSYSA-N	156.549	2.127	50	30	AEGC	
Br[C@H]1CC12CCC2	196554928	FQXDBBSVWKSTJZ-YFKPBYRVSA-N	161.042	2.324	50	30	AEGC	
CCCCOC(=O)C(Cl)Cl	1675725	MASXONVJEAXEIV-UHFFFAOYSA-N	185.050	2.133	50	30	AEGC	
C[C@H]1C[C@H](Cl)C[C@@H](C)O1	238851085	DXCQFCUGRWDOJU-KVSKUHBBSA-N	148.633	2.181	50	30	AEGC	
CC1(C)CC(=O)[C@@H]1CCCl	2265384660	GLMYXJLMSYJSMA-LURJTMIESA-N	160.644	2.231	50	30	AEGC	
C[C@@H](Cl)Cc1ccncc1	39120790	SSTLDLHWSDXCCA-SSDOTTSWSA-N	155.628	2.251	50	30	AEGC	
CCc1cc(C(=O)Cl)ccn1	39056268	VWGIMYFFWYXFBJ-UHFFFAOYSA-N	169.611	2.023	50	30	AEGC	
CCC#C[C@H](C)Br	82164722	INVSOEBLJVJTJZ-LURJTMIESA-N	161.042	2.183	50	30	AEGC	
CC(C)c1nnc(CCl)s1	83119941	QWWJMPKVYFAAML-UHFFFAOYSA-N	176.672	2.400	50	30	AEGC	in-vitro
BrCC1[C@H]2CCC[C@H]12	100276275	KNQMXYPZTYQAHD-WDSKDSINSA-N	175.069	2.427	50	30	AEGC	
C[C@H](Cl)CCBr	104372732	ZHTDTJPDPPKLTG-BYPYZUCNSA-N	171.465	2.399	50	30	AEGC	
O=C=Nc1ccc2scnc2c1	107458775	UQHFZHMZEOZMRI-UHFFFAOYSA-N	176.200	2.264	50	30	AEGC	
Cc1cnoc1C(Cl)Cl	100280008	OFXZZVTWDNVZER-UHFFFAOYSA-N	166.007	2.459	50	30	AEGC	
CCCCC[C@H](SC#N)C(=O)O	604971854	MGFSYNHKHFBZOF-ZETCQYMHSA-N	187.264	2.234	50	30	AEGC	
ClCc1cccc2[nH]cnc12	45238272	YCWBAWGQVRUKGK-UHFFFAOYSA-N	166.611	2.302	50	30	AEGC	
CC(C)N1CCC(Cl)CC1	71057452	PAACGLGXFICDPG-UHFFFAOYSA-N	161.676	2.098	50	30	AEGC	
Fc1cnc(CCl)nc1Cl	238579294	JYKVNNABLIJGII-UHFFFAOYSA-N	180.997	2.008	50	30	AEGC	
CC(C)=CC/C(C)=C/C=O	22002836	YQGCAKDJQBPFLX-RMKNXTFCSA-N	138.210	2.488	50	30	AEGC	
C[C@H](Cl)OC(=O)c1ccccc1	34406075	ATXWGWHZGZFBHI-SSDOTTSWSA-N	184.622	2.428	50	30	AEGC	
ClCc1nc2c([nH]1)CCCC2	39136856	UIPVEWFMKUFNRH-UHFFFAOYSA-N	170.643	2.027	50	30	AEGC	
N#C[C@@H]1CC[C@@H](Br)C1	83632270	CLTCFOSERODSMX-PHDIDXHHSA-N	174.041	2.074	50	30	AEGC	in-vitro
C=C(C)[C@@H](C)Cl	2037388	UCUDJURUNUQAHQ-RXMQYKEDSA-N	104.580	2.190	50	30	AEGC	
CN(CC1CCC1)C(=O)Cl	86894255	YGUGAOKHFPCLCS-UHFFFAOYSA-N	161.632	2.077	50	30	AEGC	
Br[C@@H]1CC[C@H]2C[C@H]21	306331886	CVXXZAQAJVPJLE-KVQBGUIXSA-N	161.042	2.180	50	30	AEGC	
C[C@@H]1CC[C@@H](CBr)OC1	723211684	VGEWYVDHXNRLFR-RQJHMYQMSA-N	193.084	2.196	50	30	AEGC	
CC(C)=CC(=O)O[Si](C)(C)C	195781512	KNFZPFSOTLGZEE-UHFFFAOYSA-N	172.300	2.331	50	30	AEGC	
CCCC[Si](C)(OC)OC	195908019	OOSZILWKTQCRSZ-UHFFFAOYSA-N	162.305	2.151	50	30	AEGC	
CCC(F)(F)CBr	200018571	QLGQKTGACVBAID-UHFFFAOYSA-N	173.000	2.427	50	30	AEGC	in-vitro
C=C(C)[C@H]1CC(C(=O)Cl)=CO1	39056343	COWJXWVNSKPSDE-SSDOTTSWSA-N	172.611	2.001	50	30	AEGC	
CN(C(=O)Cl)C1CCCC1	86889742	SUXDLDZKUQQCNZ-UHFFFAOYSA-N	161.632	2.220	50	30	AEGC	in-vitro
ClCCNc1ccccc1	1712525	KTDILAZSFSAPMD-UHFFFAOYSA-N	155.628	2.337	50	30	AEGC	
ClCCC1CC1	49731402	FHEOPAAMRFEMFM-UHFFFAOYSA-N	104.580	2.025	50	30	AEGC	in-vitro
BrCCC[C@H]1CCOC1	70791472	LUCDEMLGTTVGJR-ZETCQYMHSA-N	193.084	2.198	50	30	AEGC	in-vitro
Cc1onc(CCCl)c1C	39113034	LDCWUNWOIVGGAU-UHFFFAOYSA-N	159.616	2.073	50	30	AEGC	
CCO[P@](C)(=O)CCl	39116041	TTXWIKOQNODHCO-QMMMGPOBSA-N	156.549	2.127	50	30	AEGC	
CCO[C@@H]1CCC[C@H]1Br	50502453	ASSXLHILMGYRIF-RNFRBKRXSA-N	193.084	2.339	50	30	AEGC	
O=C(O)c1ccc(F)c(CCl)c1	125089080	RRZGLPOCHNIWBK-UHFFFAOYSA-N	188.585	2.263	50	30	AEGC	
CC(C)[C@@H]1CCN1C(=O)Cl	885269405	GKJAREMCAATXOB-LURJTMIESA-N	161.632	2.076	50	30	AEGC	
Cc1onc(CCl)c1Cl	39113233	HSCZDNASNDFAGL-UHFFFAOYSA-N	166.007	2.375	50	30	AEGC	
CC(C)c1cccc([C@@H](O)C#N)c1	100268479	FQGPRXDIZZBPDL-NSHDSACASA-N	175.231	2.367	50	30	AEGC	
CCCn1ccnc1CCl	22861503	SDGTYLIZZURAEI-UHFFFAOYSA-N	158.632	2.032	50	30	AEGC	
C[C@H]1CCCN(C(=O)Cl)C1	39056233	QUNRCNWRIOEOEM-LURJTMIESA-N	161.632	2.077	50	30	AEGC	in-vitro
O=P1(OCCCl)CC=CC1	149598816	ACRYLIHGFUNZIE-UHFFFAOYSA-N	180.571	2.090	50	30	AEGC	
CC[C@H](C)CC(=O)CCl	59751778	ZDTXTFYNBLDNOW-LURJTMIESA-N	148.633	2.231	50	30	AEGC	
ClCc1cnc(C2CC2)nc1	54857266	MKQYVUJESGXNBT-UHFFFAOYSA-N	168.627	2.093	50	30	AEGC	
FC(F)(CBr)C1CC1	257969351	YKPFIWOSZLNOTH-UHFFFAOYSA-N	185.011	2.427	50	30	AEGC	
Cc1coc(C(=O)CCl)c1	39054746	YEXPKTTYQXMGBX-UHFFFAOYSA-N	158.584	2.010	50	30	AEGC	
O=C1CCC[C@@H](CBr)C1	139964216	ZVMYQUMJSXFDFT-ZCFIWIBFSA-N	191.068	2.141	50	30	AEGC	
COC[C@@H]1CC[C@@H](Br)C1	86529644	WHKAGFBDXZJERO-RNFRBKRXSA-N	193.084	2.196	50	30	AEGC	
C=C(C)C[C@@H](O)C(Cl)Cl	136950658	DZAJRCYWHNZSMH-RXMQYKEDSA-N	169.051	2.117	50	30	AEGC	
CO[C@H]1CCC[C@H](Br)C1	88107883	SSZDRDDLMFSIGC-BQBZGAKWSA-N	193.084	2.339	50	30	AEGC	
C[C@H]1C[C@H](CBr)CCO1	85663707	PLCCUYBFCLNIDM-NKWVEPMBSA-N	193.084	2.196	50	30	AEGC	in-vitro
C[C@@H](Cl)OC(=O)c1ccccc1	34406076	ATXWGWHZGZFBHI-ZETCQYMHSA-N	184.622	2.428	50	30	AEGC	
CC1(C)CO[C@H](CBr)C1	38866216	KFSUONHJRUOOLF-LURJTMIESA-N	193.084	2.196	50	30	AEGC	
C/C=C/CCCl	78749745	QTRJVMJEBVLXOK-NSCUHMNNSA-N	104.580	2.191	50	30	AEGC	
ClCc1cccc2ccnn12	238520805	HTTNCAHTBCMHNN-UHFFFAOYSA-N	166.611	2.073	50	30	AEGC	
C=C/C=C/CBr	137608052	LGKANOVVJSORFA-ONEGZZNKSA-N	147.015	2.124	50	30	AEGC	
O=C(NCCl)OCc1ccccc1	238491383	ADHALVWLSCZDHL-UHFFFAOYSA-N	199.637	2.109	50	30	AEGC	
O=[N+]([O-])c1ccc(CCl)cc1F	60019117	OBWIVHSCVRIOAA-UHFFFAOYSA-N	189.573	2.473	50	30	AEGC	
FC(F)(F)c1[nH]ncc1CCl	85655909	AGBBKAQHIOKOFJ-UHFFFAOYSA-N	184.548	2.167	50	30	AEGC	
CC1(C)CO[C@@H](CBr)C1	38866215	KFSUONHJRUOOLF-ZCFIWIBFSA-N	193.084	2.196	50	30	AEGC	
NCC[C@H]1CCCC[C@H]1Cl	95934826	NFNYPWPUGNRIQE-HTQZYQBOSA-N	161.676	2.133	50	30	AEGC	
O=C(Cl)c1ccc2c(c1)OCC2	39056629	XVTBJKMYCASIOI-UHFFFAOYSA-N	182.606	2.001	50	30	AEGC	
C[C@H](Cl)I	113641578	RYAGQMSEMGVLGY-UWTATZPHSA-N	190.411	2.006	50	30	AEGC	
C[C@H]1CC[C@@H](Cl)C1	70651355	XZTDXLYILUJOTB-NTSWFWBYSA-N	118.607	2.414	50	30	AEGC	in-vitro
N#C[C@H]1CCCC[C@H]1Br	75578195	OUIDFUZJSJVKMZ-RNFRBKRXSA-N	188.068	2.464	50	30	AEGC	in-vitro
FC(F)c1nnc(CCCCl)o1	35658568	ITZJWPDZICRJOF-UHFFFAOYSA-N	196.584	2.179	50	30	AEGC	
CC(=O)CCCCCCl	104727867	ZWXFUUDOIJKOOD-UHFFFAOYSA-N	148.633	2.375	50	30	AEGC	
O=C=Nc1cc(F)ccc1Cl	107458144	GJNYVFQUUFVOCW-UHFFFAOYSA-N	171.558	2.446	50	30	AEGC	
ClCc1cnn(C2CCC2)c1	253184679	ODZUEPHXJSFYIE-UHFFFAOYSA-N	170.643	2.347	50	30	AEGC	
ClCCC#Cc1ccccn1	82505810	GFQINEAATARLBR-UHFFFAOYSA-N	165.623	2.062	50	30	AEGC	
C[C@@H]1CCCCN1CCCl	6030853	POIJSGZKRFFSLG-MRVPVSSYSA-N	161.676	2.100	50	30	AEGC	
COc1ccc(CCl)nc1C	226190773	PEASXMBREGCGDD-UHFFFAOYSA-N	171.627	2.137	50	30	AEGC	
ClP(Cl)N1CCOCC1	111466144	UGEWZXMRMMAXRS-UHFFFAOYSA-N	187.994	2.023	50	30	AEGC	
N#Cc1cc(CCl)cnc1Cl	98179673	NMRFKJBMCZWYTL-UHFFFAOYSA-N	187.029	2.345	50	30	AEGC	in-vitro
FC(F)[C@@H]1C[C@@H]1CBr	685946046	CDVSLVDEMWPPHB-QWWZWVQMSA-N	185.011	2.283	50	30	AEGC	
CC1(C)CC[C@H](CBr)O1	95883705	HYAZGHDCDWKRBD-ZCFIWIBFSA-N	193.084	2.339	50	30	AEGC	in-vitro
O=C=NCc1ccc(F)cc1Cl	238631360	DCALXPDWRLNGJK-UHFFFAOYSA-N	185.585	2.315	50	30	AEGC	
C=C1CC(Br)C1	95923301	YGPKSFISHDZFTK-UHFFFAOYSA-N	147.015	2.100	50	30	AEGC	
C=C(C)CO[Si](C)(C)C	195768963	VTDVCNBADIDXGN-UHFFFAOYSA-N	144.290	2.414	50	30	AEGC	
CO[C@@H]1CCCC[C@H]1Br	1570149	DGMAOHYUXAZIFR-RNFRBKRXSA-N	193.084	2.339	50	30	AEGC	in-vitro
C[C@@H]1CCCN(C(=O)Cl)C1	39056232	QUNRCNWRIOEOEM-ZCFIWIBFSA-N	161.632	2.077	50	30	AEGC	in-vitro
CC1=CC(N)=C(C#N)C(C)(C)C1	39136014	CGRVEEOYBIEYLE-UHFFFAOYSA-N	162.236	2.099	50	30	AEGC	
C[C@@H](C(=O)Cl)C(C)(C)C	39245284	SXJYIEBMAQEWPK-YFKPBYRVSA-N	148.633	2.434	50	30	AEGC	
Br[C@H]1C2C[C@@H]3C1[C@@H]3C2	105115210	RDIUINMODIQXGA-QEEGBHKWSA-N	173.053	2.036	50	30	AEGC	
C=C(C)[C@H](C)Cl	2037387	UCUDJURUNUQAHQ-YFKPBYRVSA-N	104.580	2.190	50	30	AEGC	
CCCSCCC(=O)Cl	83187086	CKAXZTICOPLCCZ-UHFFFAOYSA-N	166.673	2.285	50	30	AEGC	
ClCc1cc2ccccn2n1	238528717	CUVXLRNAHKKWAD-UHFFFAOYSA-N	166.611	2.073	50	30	AEGC	
BrC[C@H]1C2C[C@@H]3C1[C@@H]3C2	237989800	VCVPGKVTMIJZMZ-DRFNOYROSA-N	187.080	2.283	50	30	AEGC	
Cl[C@H]1C=C[C@]2(CCCO2)CC1	238570801	OXNUKPJOVCSVNG-DTWKUNHWSA-N	172.655	2.493	50	30	AEGC	
BrCC1C[C@H]2C[C@@H]2C1	126504330	JKZAGFFHXDSOQV-BQBZGAKWSA-N	175.069	2.427	50	30	AEGC	in-vitro
CC(C)Oc1ccc(N=C=O)cc1	11802399	GLBWCIOPSWMAFY-UHFFFAOYSA-N	177.203	2.441	50	30	AEGC	
C[C@H](Br)c1ncco1	306791230	WWSUTZWRSJHHKN-BYPYZUCNSA-N	176.013	2.131	50	30	AEGC	
CC#CCCCBr	60712435	SRGQSRAWFLVYQN-UHFFFAOYSA-N	161.042	2.185	50	30	AEGC	in-vitro
Cc1ccnc2nc(CCl)[nH]c12	82563695	KULXPKBJZDJBDZ-UHFFFAOYSA-N	181.626	2.005	50	30	AEGC	in-vitro
C=C(C)[C@@H]1CC(C(=O)Cl)=CO1	39056342	COWJXWVNSKPSDE-ZETCQYMHSA-N	172.611	2.001	50	30	AEGC	
CCC1CCN(C(=O)Cl)CC1	86894031	ZAFUZQDFMTWRLK-UHFFFAOYSA-N	175.659	2.467	50	30	AEGC	
CCc1nn(C)c(CCl)c1Cl	88189985	DBPJPXNIQRTLCB-UHFFFAOYSA-N	193.077	2.375	50	30	AEGC	
N#CC1=C[C@H]2C=C[C@@H](C1)C2	205047492	NKKPCOKXGUJLPK-JGVFFNPUSA-N	131.178	2.032	50	30	AEGC	
N#CC1(CCCCl)CCOCC1	88242706	ZIEPGZHUGOSPHH-UHFFFAOYSA-N	187.670	2.326	50	30	AEGC	in-vitro
NCC[C@@H]1CCCC[C@H]1Cl	95934824	NFNYPWPUGNRIQE-JGVFFNPUSA-N	161.676	2.133	50	30	AEGC	
COCCCCCBr	60712528	RGZWCZXZKRRAHL-UHFFFAOYSA-N	181.073	2.198	50	30	AEGC	in-vitro
Cc1ccccc1[C@@H](C)N=C=O	62822258	LAXZVKNOZKBMQK-SECBINFHSA-N	161.204	2.392	50	30	AEGC	
CCC(C)(C)C(=O)OCCl	34302023	CKVJTTAYFWQVRS-UHFFFAOYSA-N	164.632	2.162	50	30	AEGC	
C[C@H](C(=O)Cl)C(C)(C)C	39245285	SXJYIEBMAQEWPK-RXMQYKEDSA-N	148.633	2.434	50	30	AEGC	
Cc1cc(CCl)cnc1C	95763878	JXSJZPUVOTVBPD-UHFFFAOYSA-N	155.628	2.437	50	30	AEGC	
C=CCOC(=O)OOC(C)(C)C	95713330	KZDYQEYSNHDGEX-UHFFFAOYSA-N	174.196	2.056	50	30	AEGC	
CC(C)C(=O)CCCCl	34216005	TXSSNLJHPDNELJ-UHFFFAOYSA-N	148.633	2.231	50	30	AEGC	
BrCCCOC1CCC1	50520398	IXKZKEUZDBWXGF-UHFFFAOYSA-N	193.084	2.341	50	30	AEGC	
NCCS(F)(F)(F)(F)F	715909023	KVNJCFFSPNARBA-UHFFFAOYSA-N	171.134	2.244	50	30	AEGC	
BrCCOCCC1CC1	229459014	VWGUBDHPQSKYMY-UHFFFAOYSA-N	193.084	2.198	50	30	AEGC	
CCN(C(=O)Cl)C(C)C	74942610	SVLNCPUVMJGVFR-UHFFFAOYSA-N	149.621	2.076	50	30	AEGC	in-vitro
CC1CCN(C(=O)Cl)CC1	34498500	WRROPVUNDBWCQY-UHFFFAOYSA-N	161.632	2.077	50	30	AEGC	in-vitro
O=C(Cl)[C@@H]1CC[C@@H](Cl)C1	39056312	GVWKCFKMWJCOOV-RFZPGFLSSA-N	167.035	2.159	50	30	AEGC	
CC(C)c1cc(CCl)[nH]n1	84122153	GMWISWOTHJIQHB-UHFFFAOYSA-N	158.632	2.272	50	30	AEGC	
O=C(O)[C@@H](Cl)c1ccccc1F	71500310	JIEJFUNCTYJIBF-ZETCQYMHSA-N	188.585	2.190	50	30	AEGC	
ClCc1ccc2c(c1)COC2	62334226	LUVNBXRRGKUMJS-UHFFFAOYSA-N	168.623	2.456	50	30	AEGC	
ClCc1nnc(C2CC2)n1C1CC1	95348136	SUVAMCLLWVIXQD-UHFFFAOYSA-N	197.669	2.229	50	30	AEGC	in-vitro
O=[N+]([O-])c1cc(O)ccc1N=C=S	96836713	ZIQUBPCXPIDWOA-UHFFFAOYSA-N	196.187	2.035	50	30	AEGC	
CCCCC[C@@H](C)OO	111327427	FWELUXZVATZEMI-SSDOTTSWSA-N	132.203	2.445	50	30	AEGC	
F[C@H](Cl)C(F)(F)OCCl	5131691	FAERCLVMZOAFPK-REOHCLBHSA-N	182.956	2.327	50	30	AEGC	
ClCc1ccn(C2CCC2)n1	253180686	DXCCSQIRJYHNHS-UHFFFAOYSA-N	170.643	2.347	50	30	AEGC	
N#C[C@H]1CCCC[C@@H]1Cl	75529340	OZYBRLKYABATKS-RQJHMYQMSA-N	143.617	2.308	50	30	AEGC	in-vitro
COc1cc(CCl)ncc1Cl	34288875	NNXCPQYUTYPPIB-UHFFFAOYSA-N	192.045	2.482	50	30	AEGC	in-vitro
C[C@H]1C=C[C@@H](C(=O)Cl)CC1	39056163	PMIGTBFMCLEXMP-NKWVEPMBSA-N	158.628	2.354	50	30	AEGC	
CCc1csc(CCl)n1	61803044	ANGYEEBXTFHGEI-UHFFFAOYSA-N	161.657	2.444	50	30	AEGC	
Cc1nsc(C)c1CCl	104737164	CQVJZRUGYKDFRZ-UHFFFAOYSA-N	161.657	2.499	50	30	AEGC	
C[C@H]1CC[C@@H](CBr)OC1	723211675	VGEWYVDHXNRLFR-BQBZGAKWSA-N	193.084	2.196	50	30	AEGC	
CCCC[C@H]1C[C@@H](Cl)C(=O)O1	33610082	JRJNBIWGQOPZJU-NKWVEPMBSA-N	176.643	2.100	50	30	AEGC	
COc1cc(CCl)ncc1C	34304420	OBXBULSBVVGPSM-UHFFFAOYSA-N	171.627	2.137	50	30	AEGC	
CC1(C)[C@H]2CCC(C=O)=C[C@@H]21	100094079	RAHRTJHAYXOITA-IUCAKERBSA-N	150.221	2.178	50	30	AEGC	
COc1ccc2[nH]cc(N=C=O)c2c1	107461861	AHOXRRDAWONAMX-UHFFFAOYSA-N	188.186	2.144	50	30	AEGC	
FC(F)c1cc(CCl)on1	138286816	UWTDBUGFKAPQRI-UHFFFAOYSA-N	167.542	2.351	50	30	AEGC	
CCc1noc(C)c1CCl	39113058	UJGNPVTYXYDJLB-UHFFFAOYSA-N	159.616	2.284	50	30	AEGC	in-vitro
CC(C)C(=O)C(C)(C)C(=O)Cl	62718839	OGYNXDJMTJXAMO-UHFFFAOYSA-N	176.643	2.003	50	30	AEGC	
CN(CCC(F)(F)F)C(=O)Cl	86894423	BHOPNYHATJFVRZ-UHFFFAOYSA-N	189.564	2.229	50	30	AEGC	in-vitro
O=C(Br)Cc1ccccc1	2023640	IAKFGFQVHBKCAS-UHFFFAOYSA-N	199.047	2.151	50	30	AEGC	
Cc1ccnc(C)c1CCl	90496357	NIKMSZWIIKCBOU-UHFFFAOYSA-N	155.628	2.437	50	30	AEGC	
C=CC(=C)CBr	90627377	KWEFLUDPRLSSTJ-UHFFFAOYSA-N	147.015	2.124	50	30	AEGC	
CC(C)(C)O/C=C/C(=O)CCl	307571621	BUQRBLKEUHEOFC-SNAWJCMRSA-N	176.643	2.123	50	30	AEGC	
NCC[C@H]1CCCC[C@@H]1Cl	95934825	NFNYPWPUGNRIQE-SFYZADRCSA-N	161.676	2.133	50	30	AEGC	
CC[C@@H]1[C@@H](C)[C@H]1Br	306460451	ZJCWEOXZHSXNBG-HSUXUTPPSA-N	163.058	2.426	50	30	AEGC	
CC1(C)[C@@H]2C=C(C=O)CC[C@H]21	100136052	RAHRTJHAYXOITA-RKDXNWHRSA-N	150.221	2.178	50	30	AEGC	
Cc1nn(C(=O)Cl)c(C)c1Cl	39056996	PADSOZWTBPAHSK-UHFFFAOYSA-N	193.033	2.360	50	30	AEGC	
CC(C)(Cl)CBr	90627450	IIVVWOUHWDRSBE-UHFFFAOYSA-N	171.465	2.399	50	30	AEGC	
CCCC[C@@H](Cl)C(=O)OCC	33608623	XNHUSSQEMIESJC-SSDOTTSWSA-N	178.659	2.347	50	30	AEGC	
Cl[C@H](c1ccccc1)c1ncno1	40863659	SOKJCVZWWMDDPH-MRVPVSSYSA-N	194.621	2.398	50	30	AEGC	in-vitro
CC(=O)NCc1ccc(CCl)cc1	34581170	UADHOMUWKSPYAI-UHFFFAOYSA-N	197.665	2.062	50	30	AEGC	
Cc1ccc(C(=O)O)cc1N=C=S	6278519	LPODZMBNYZGYRV-UHFFFAOYSA-N	193.227	2.428	50	30	AEGC	
CCCC[C@H]1O[C@H]1CBr	238249074	IAMRQCBIZFTZCT-RQJHMYQMSA-N	193.084	2.339	50	30	AEGC	in-vitro
COCCC[C@H](C)Cl	44470412	OIUCNEHJSBTZQE-LURJTMIESA-N	136.622	2.040	50	30	AEGC	
CC(C)OCCCBr	36723947	UDWJTIKGRKGQRF-UHFFFAOYSA-N	181.073	2.196	50	30	AEGC	
N#C/C=C/c1c[nH]c2ncccc12	83823861	QPHZVOSMQNQIPY-HNQUOIGGSA-N	169.187	2.100	50	30	AEGC	
Fc1ccccc1OCCl	86491065	HDZOMHCPUFVLLH-UHFFFAOYSA-N	160.575	2.401	50	30	AEGC	
BrCC=C1CCOCC1	117693013	ALIMDXRFPWKTBB-UHFFFAOYSA-N	191.068	2.118	50	30	AEGC	
CCc1ccc(CN=C=O)cc1	19730705	HVJNCBQCVDQHAS-UHFFFAOYSA-N	161.204	2.085	50	30	AEGC	in-vitro
O=C=Nc1nc2cc(F)ccc2s1	45237441	XLTYLDJHJSCTDD-UHFFFAOYSA-N	194.190	2.403	50	30	AEGC	
COc1cc(CCl)cnc1Cl	149078868	CNBRPHSJMJKKOJ-UHFFFAOYSA-N	192.045	2.482	50	30	AEGC	
CC(C)O[C@H]1C[C@H](Br)C1	299805479	PUUNSDZYLLOLQK-LJGSYFOKSA-N	193.084	2.337	50	30	AEGC	
CCCC(CCC)=NNC(=O)OC	5455962	JLBAWEHEGKDKSY-UHFFFAOYSA-N	186.255	2.299	50	30	AEGC	
O=C(Cl)NC1CCCCC1	145908751	FOZLEFALTUHOLA-UHFFFAOYSA-N	161.632	2.268	50	30	AEGC	
Cc1ccc([C@H](O)CCl)cc1	36156237	HNIOYEPFDGBZMW-SECBINFHSA-N	170.639	2.267	50	30	AEGC	in-vitro
CC[C@H]1CC(C)=C(C=O)C1	33836134	WIDNPTISDXVFHZ-QMMMGPOBSA-N	138.210	2.322	50	30	AEGC	
CCCCN(CC)C(=O)Cl	34537212	GZNVFRIHZRYMFK-UHFFFAOYSA-N	163.648	2.467	50	30	AEGC	
CC(C)=C(C#N)NC(C)(C)C	104097179	PPVWIPXCUJDBCZ-UHFFFAOYSA-N	152.241	2.192	50	30	AEGC	
O=C(Cl)[C@H]1CC[C@H](Cl)C1	39056313	GVWKCFKMWJCOOV-WHFBIAKZSA-N	167.035	2.159	50	30	AEGC	
ClCOCCCCOCCl	1760989	RRSXICBKOPODSP-UHFFFAOYSA-N	187.066	2.192	50	30	AEGC	
O=C(O)C1(CCl)CCCCC1	44226967	GVFCZGHLORJTCP-UHFFFAOYSA-N	176.643	2.260	50	30	AEGC	
C[C@]1(CBr)CCCCO1	306323538	VJBBBDJHTIGVPI-SSDOTTSWSA-N	193.084	2.341	50	30	AEGC	
Br[C@@H]1CC[C@@H]2C[C@@H]12	306331884	CVXXZAQAJVPJLE-HSUXUTPPSA-N	161.042	2.180	50	30	AEGC	
C[C@@]1(C(=O)Cl)C[C@]1(F)Cl	34348308	PFIHCNJKOIKNPW-CRCLSJGQSA-N	170.998	2.066	50	30	AEGC	
CCc1nc(C)c(C(=O)Cl)s1	39056869	VWPPNBYFOWUUIP-UHFFFAOYSA-N	189.667	2.393	50	30	AEGC	
CC[P@@](C)(=O)Cl	100058088	KJKWGCTWYJCDHP-ZCFIWIBFSA-N	126.523	2.153	50	30	AEGC	
CC[C@@H](C)CC(=O)CCl	59751777	ZDTXTFYNBLDNOW-ZCFIWIBFSA-N	148.633	2.231	50	30	AEGC	
O=[P@]1(Cl)C=CCC1	111389363	HUSTZVJBPMIGEX-SSDOTTSWSA-N	136.518	2.421	50	30	AEGC	
CCCCCC(=O)F	1847498	AURYBMCZYGIOJH-UHFFFAOYSA-N	118.151	2.063	50	30	AEGC	
CC1(C)O[Si](C)(C)OC1(C)C	195764295	GVPUUBGTKARRHG-UHFFFAOYSA-N	174.316	2.292	50	30	AEGC	
N#CSCCCCCF	1845849	QHACRDBQKDNTBY-UHFFFAOYSA-N	147.218	2.340	50	30	AEGC	
CCCCOC(=O)CCCCl	2380454	GKEGQZISIPAXAX-UHFFFAOYSA-N	178.659	2.349	50	30	AEGC	
ClC[C@@H]1COc2ccccc2C1	37405177	IWQDLTXWJODHGG-MRVPVSSYSA-N	182.650	2.477	50	30	AEGC	
O=[N+]([O-])c1ccc(CCl)s1	39250037	KHXIFJKSANMLQD-UHFFFAOYSA-N	177.612	2.395	50	30	AEGC	
CCCCCC[C@@H]1CC(=O)OC1=O	104371178	NTUIKGUMDLSOBX-MRVPVSSYSA-N	184.235	2.047	50	30	AEGC	
O=C(Cl)c1csc(Cl)n1	39056650	OCMPHVBYKQYVJS-UHFFFAOYSA-N	182.031	2.176	50	30	AEGC	in-vitro
COc1ccc(CCl)cc1C#N	82159794	BQELMAMWVOZOMV-UHFFFAOYSA-N	181.622	2.306	50	30	AEGC	in-vitro
C[C@@H]1CC[C@@H](Cl)C[C@H]1C(=O)O	256081515	RSDARHRNBUATQI-FSDSQADBSA-N	176.643	2.115	50	30	AEGC	
Br[C@@H]1C[C@H]2CC[C@@H]12	95923252	MWKUJRCRSYJQCP-HSUXUTPPSA-N	161.042	2.180	50	30	AEGC	
Cc1ccc2c(c1)NC(=C(C#N)C#N)N2	38392196	ZNYZQKIKNQZIPS-UHFFFAOYSA-N	196.213	2.091	50	30	AEGC	
C[C@@H](Br)C1CCOCC1	85664257	WDRQHIKCGHXQRX-ZCFIWIBFSA-N	193.084	2.196	50	30	AEGC	in-vitro
O=C1CCCCCCCCC(=O)O1	85936567	YOURXVGYNVXQKT-UHFFFAOYSA-N	184.235	2.191	50	30	AEGC	
C[C@@](F)(CCl)CBr	136768804	WHMFDVKQQDRAQG-BYPYZUCNSA-N	189.455	2.348	50	30	AEGC	
Cc1ccc2c(c1)cc(N=C=O)n2C	107131725	SYRSKDUZPULCGD-UHFFFAOYSA-N	186.214	2.454	50	30	AEGC	
Cl[C@@H]1C=C[C@]2(CCCO2)CC1	238547308	OXNUKPJOVCSVNG-RKDXNWHRSA-N	172.655	2.493	50	30	AEGC	
N#CSc1nc2ccccc2[nH]1	71773927	DWSVRXBNHIWGHF-UHFFFAOYSA-N	175.216	2.136	50	30	AEGC	
O=C(Cl)c1ccc(Cl)o1	39201120	RKSXGRQSAQOXJO-UHFFFAOYSA-N	164.975	2.312	50	30	AEGC	in-vitro
CCC[C@@H]1OO[C@H](C(C)C)O1	100265920	WWSCUWZQGKIBBE-JGVFFNPUSA-N	160.213	2.073	50	30	AEGC	
CC(C)(CBr)C[C@H]1CO1	39148452	MLDWKEOYLOCNDH-LURJTMIESA-N	193.084	2.196	50	30	AEGC	
FC(F)c1ocnc1CCl	575519691	RJWMMMOVJGEOEZ-UHFFFAOYSA-N	167.542	2.351	50	30	AEGC	
C[C@@H](Cl)CNC(=O)OC(C)(C)C	39091136	BBAFVRDQRAEQAF-ZCFIWIBFSA-N	193.674	2.138	50	30	AEGC	in-vitro
C[C@H]1C[C@H](C)CN(C(=O)Cl)C1	62466291	XKWWTGFKHIQSCM-BQBZGAKWSA-N	175.659	2.323	50	30	AEGC	
O=C=Nc1ccc(N=C=S)cc1	2585414	OPCDVQFQFWQSEH-UHFFFAOYSA-N	176.200	2.388	50	30	AEGC	
ClC1(Cl)C[C@@H]1Br	118030960	XNHGDEYPUNAQJA-REOHCLBHSA-N	189.867	2.328	50	30	AEGC	
C[C@@H](Cl)OC(=O)C(C)(C)C	33506544	VQEZDLXEVJCRMO-YFKPBYRVSA-N	164.632	2.161	50	30	AEGC	in-vitro
COC1(CCBr)CCC1	234600482	ZULAVECEUWAKFV-UHFFFAOYSA-N	193.084	2.341	50	30	AEGC	in-vitro
CC(C)COCCBr	19414795	WXZQNJCVYHJEIK-UHFFFAOYSA-N	181.073	2.054	50	30	AEGC	in-vitro
O=C=Nc1cccc(CCl)c1	104725241	CAOAUHIGHKUBRZ-UHFFFAOYSA-N	167.595	2.393	50	30	AEGC	
ClCc1coc(-c2ccccn2)n1	57489568	YSFCRZNXUXJWBG-UHFFFAOYSA-N	194.621	2.475	50	30	AEGC	in-vitro
ClCc1cccc2cncn12	104685790	AMAXUQWYIDPHGZ-UHFFFAOYSA-N	166.611	2.073	50	30	AEGC	
CC(C)Oc1ccc([C@@H](O)C#N)cc1	103123671	DOCIJUMCSDAALE-NSHDSACASA-N	191.230	2.031	50	30	AEGC	
Cl[C@H]1C=C[C@@]2(CCCO2)CC1	238571150	OXNUKPJOVCSVNG-IUCAKERBSA-N	172.655	2.493	50	30	AEGC	
CC1(C)CCCN1C(=O)Cl	86894330	ZLWCGSZACCSMTG-UHFFFAOYSA-N	161.632	2.220	50	30	AEGC	
Br[C@@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	104372882	RDIUINMODIQXGA-FHKSGDNWSA-N	173.053	2.036	50	30	AEGC	
O=C(Cl)/C=C/C1CCCC1	78162835	IUSFLWRQSGVDDY-AATRIKPKSA-N	158.628	2.498	50	30	AEGC	in-vitro
Br[C@@H]1[C@H]2CCC[C@H]21	306621734	ZTAMDWYIUNPWAA-FMCRUOTFSA-N	161.042	2.180	50	30	AEGC	
C[C@H](F)CCBr	98210191	ICOSIIBKPOCTDV-BYPYZUCNSA-N	155.010	2.129	50	30	AEGC	
CO[Si](C)(C[C@H](C)CCl)OC	195766774	KONYWZRRCDRQQS-SSDOTTSWSA-N	196.750	2.226	50	30	AEGC	
N#CSCc1nc2ccccc2[nH]1	95923040	NPYHFFYLECPPGJ-UHFFFAOYSA-N	189.243	2.277	50	30	AEGC	in-vitro
C[C@](F)(CCl)CBr	136768856	WHMFDVKQQDRAQG-SCSAIBSYSA-N	189.455	2.348	50	30	AEGC	
C/C(C=O)=C\[C@@H]1C[C@H]2C=C[C@H]1C2	111486771	CVCVVXNCGPBRSF-SLEYYXBJSA-N	162.232	2.344	50	30	AEGC	
COCCC[C@@H](C)Cl	44470415	OIUCNEHJSBTZQE-ZCFIWIBFSA-N	136.622	2.040	50	30	AEGC	
BrC[C@@H]1CC12CC2	60149800	DKEQLSWFBVKMOB-YFKPBYRVSA-N	161.042	2.181	50	30	AEGC	
O=C(Cl)N=C(Cl)Cl	196399203	OUQFCBDRFYTHKG-UHFFFAOYSA-N	160.387	2.179	50	30	AEGC	
CC(C)OC(CCl)OC(C)C	34601498	DYZANRMDXUPKLR-UHFFFAOYSA-N	180.675	2.401	50	30	AEGC	
Cc1cscc1C(=O)Cl	83119919	SOEMAEIKZZXWBN-UHFFFAOYSA-N	160.625	2.436	50	30	AEGC	in-vitro
CC[C@H]1[C@@H](Br)[C@@H]1C	238295226	ZJCWEOXZHSXNBG-PBXRRBTRSA-N	163.058	2.426	50	30	AEGC	
CCC#C[C@@H](C)Br	82164720	INVSOEBLJVJTJZ-ZCFIWIBFSA-N	161.042	2.183	50	30	AEGC	
CCOC(=O)N/N=C(\C)C=C(C)C	223491064	HUOQDTDEBSRRDI-CSKARUKUSA-N	184.239	2.075	50	30	AEGC	
FC1(F)[C@H]2C[C@H](Br)C[C@H]21	307548293	MEDYVHRNUPESTK-ZGQXEFDQSA-N	197.022	2.425	50	30	AEGC	
ClCc1ccnn1C1CCC1	669381997	DGEWFDPWDINFOT-UHFFFAOYSA-N	170.643	2.347	50	30	AEGC	
O=C(Cl)[C@H]1C[C@H]2[C@H]3CC[C@H]2[C@H]1C3	257157249	PYUSRMWVTGYHQJ-ULHDWMFZSA-N	184.666	2.434	50	30	AEGC	
FC(F)C1(CBr)CC1	575470293	XCDSWMUPTXJTEY-UHFFFAOYSA-N	185.011	2.427	50	30	AEGC	
C/C=C(\Cl)CCl	96328703	VOGHDWQJCXXBMH-RQOWECAXSA-N	124.998	2.368	50	30	AEGC	
C[C@@]1(CBr)CCCOC1	203622276	PMJMYYWQCAGPSB-ZETCQYMHSA-N	193.084	2.198	50	30	AEGC	
CC[C@@H]1C[C@H]1CBr	88161824	NWPQBWPIBCOXRW-RITPCOANSA-N	163.058	2.427	50	30	AEGC	
CCC[C@@H](Br)C(C)=O	34160120	OEQXOJMOWATNQN-ZCFIWIBFSA-N	179.057	2.139	50	30	AEGC	
CO[C@H](CBr)C(C)C	196625216	WSSGWYCRXCOZIA-ZCFIWIBFSA-N	181.073	2.052	50	30	AEGC	
O=C=Nc1cc2ccccc2o1	38276374	WRHYVIYSCDQUNB-UHFFFAOYSA-N	159.144	2.400	50	30	AEGC	
CCCC[C@H]1C[C@H](Cl)C(=O)O1	33610084	JRJNBIWGQOPZJU-BQBZGAKWSA-N	176.643	2.100	50	30	AEGC	
ClCc1nc2c(o1)CCCC2	38916210	OFFGRJKZQUZCIW-UHFFFAOYSA-N	171.627	2.292	50	30	AEGC	
C/C=C(\C)CCl	2019648	ZAJKEDQTROWDDD-HWKANZROSA-N	104.580	2.191	50	30	AEGC	
C[C@@H](Cl)c1nnc(C(F)F)o1	35658164	QCJFYINTZDFIFM-UWTATZPHSA-N	182.557	2.307	50	30	AEGC	
N#C[C@@H](Br)C1CCCC1	125845036	OIOYEUORMICJQO-SSDOTTSWSA-N	188.068	2.464	50	30	AEGC	
FCP(F)F	225217348	YQAJLZLBOQSIGC-UHFFFAOYSA-N	101.995	2.164	50	30	AEGC	
CCC/N=N/C(C)(C)OO	100106287	POLDHOINNQNRQG-BQYQJAHWSA-N	146.190	2.074	50	30	AEGC	
ClCc1ccc2[nH]cnc2c1	45821037	FXVKZSXKOBLQOD-UHFFFAOYSA-N	166.611	2.302	50	30	AEGC	
O=C(N=C=S)c1ccccc1F	34616986	SPRXMLIDSAYUFL-UHFFFAOYSA-N	181.191	2.069	50	30	AEGC	
CC(C)(C#N)CCCl	1613311	JEFSZASOUUCOKS-UHFFFAOYSA-N	131.606	2.165	50	30	AEGC	in-vitro
O=C(N=C=S)c1ccc(F)c(F)c1	21968391	SFFJDKZVHFOJSC-UHFFFAOYSA-N	199.181	2.208	50	30	AEGC	in-vitro
N#C[C@@H]1CCCC[C@H]1Br	75578192	OUIDFUZJSJVKMZ-NKWVEPMBSA-N	188.068	2.464	50	30	AEGC	in-vitro
N#C/C(=C\c1ccco1)C(=O)C1CC1	165488	WHIBSOZMTRZZFV-RMKNXTFCSA-N	187.198	2.166	50	30	AEGC	
FC1(F)[C@H]2CC(Br)C[C@@H]21	238674944	MEDYVHRNUPESTK-WHFBIAKZSA-N	197.022	2.425	50	30	AEGC	
COc1ccc(OCCl)cc1	38251280	LUTVKDSEUGMERN-UHFFFAOYSA-N	172.611	2.270	50	30	AEGC	
CC(C)[C@@H](Cl)C(=O)CCl	104734019	DRUWDZQGHFIUKC-ZCFIWIBFSA-N	169.051	2.058	50	30	AEGC	
C=CC[C@H](C)Br	111339173	PDBJRGFNXXAAMO-YFKPBYRVSA-N	149.031	2.346	50	30	AEGC	
N#CCOc1ccc(CCl)cc1	21808929	UAQCNNKQQNZLDP-UHFFFAOYSA-N	181.622	2.328	50	30	AEGC	in-vitro
ClCCCCCn1ccnc1	37393679	XXFGBEKTDJMLNJ-UHFFFAOYSA-N	172.659	2.292	50	30	AEGC	in-vitro
N#C[C@@H](O)CCCCc1ccccc1	97971792	DYLWAQBBAIIOSZ-LBPRGKRZSA-N	189.258	2.284	50	30	AEGC	
N#Cc1c(Cl)cccc1N=C=O	238609500	AQKCPNMALUBSRW-UHFFFAOYSA-N	178.578	2.179	50	30	AEGC	
Cl[C@@H]1C=C[C@@]2(CCCO2)CC1	238547748	OXNUKPJOVCSVNG-BDAKNGLRSA-N	172.655	2.493	50	30	AEGC	
F[C@H](CCl)C(F)(F)Cl	96327865	VLFNFIOWGLHPAV-UWTATZPHSA-N	166.957	2.395	50	30	AEGC	
Cc1cnc([C@H](C)Cl)o1	72207580	WUTGCMYSTHBMNH-YFKPBYRVSA-N	145.589	2.283	50	30	AEGC	in-vitro
CC1(C)CCN(C(=O)Cl)CC1	86894264	SWWLGZRDERFNRH-UHFFFAOYSA-N	175.659	2.467	50	30	AEGC	
O=C(CCl)C[C@H]1C=CCC1	39125554	XZZAFFXDNWYEPQ-ZETCQYMHSA-N	158.628	2.151	50	30	AEGC	
COC[C@@H]1CC[C@H](Br)C1	86529639	WHKAGFBDXZJERO-RQJHMYQMSA-N	193.084	2.196	50	30	AEGC	
BrCC1CC=CC1	95764037	ZJJCUBVFAXPMQD-UHFFFAOYSA-N	161.042	2.348	50	30	AEGC	in-vitro
COC(=O)[C@H](Cl)c1cccc(C)c1	50977714	WBWSVXBALLOYSU-SECBINFHSA-N	198.649	2.448	50	30	AEGC	
FCC1(CF)CC(Br)C1	616582107	DCEDDCDCKOCPBG-UHFFFAOYSA-N	199.038	2.469	50	30	AEGC	
Cn1ncc2ccc(CCl)cc21	238548134	UBOGVYSDNJJIQZ-UHFFFAOYSA-N	180.638	2.312	50	30	AEGC	
Cc1ccc(CN=C=O)c(C)c1	39435857	ATLVTMVEYQOHCH-UHFFFAOYSA-N	161.204	2.139	50	30	AEGC	in-vitro
N#C[C@@H]1CCCC[C@@H]1Br	75578191	OUIDFUZJSJVKMZ-BQBZGAKWSA-N	188.068	2.464	50	30	AEGC	in-vitro
C[C@@H](Br)[C@@H]1CCCOC1	85664662	NDQYGDYNCDEWGC-RNFRBKRXSA-N	193.084	2.196	50	30	AEGC	
CC1=CC(C=O)=CC(C)(C)C1	39061997	AKOQXQFSBKLUHE-UHFFFAOYSA-N	150.221	2.488	50	30	AEGC	
CC(C)[C@@H](C)I	79244791	PYXUFKGRYMMOIK-RXMQYKEDSA-N	198.047	2.466	50	30	AEGC	
Cc1cccc(C(=O)Cl)c1O	5782628	QCAVJPCWLHJDBR-UHFFFAOYSA-N	170.595	2.080	50	30	AEGC	
O=C(Cl)c1cccc2nnsc12	39057139	FHWNOXLHRUSQMV-UHFFFAOYSA-N	198.634	2.070	50	30	AEGC	
FC(F)c1nnc(CCl)s1	84095891	USPZIASWSPEGCF-UHFFFAOYSA-N	184.598	2.215	50	30	AEGC	in-vitro
COc1ccccc1CCN=C=S	9246084	AIBHUSMWEAPTQZ-UHFFFAOYSA-N	193.271	2.341	50	30	AEGC	
BrCC[C@H]1CCCCO1	39291088	PCXOVDMMOFKADA-SSDOTTSWSA-N	193.084	2.341	50	30	AEGC	in-vitro
O=C(Cl)OCCC(F)(F)F	131870336	VWKQPRLYVOPVSD-UHFFFAOYSA-N	176.521	2.314	50	30	AEGC	in-vitro
O=[S@@](Cl)C1CCCCC1	104839380	ZGQKEEKFCPNSTD-VIFPVBQESA-N	166.673	2.222	50	30	AEGC	
ClC[C@@H]1[C@H]2CCC[C@H]21	252672872	DMRQATARJJCRJU-ZMONIFLSSA-N	130.618	2.271	50	30	AEGC	
CCOCCCCBr	33950138	AABRBNAXKRILNN-UHFFFAOYSA-N	181.073	2.198	50	30	AEGC	
ClCc1ncnn1-c1ccccc1	142234118	DPCODPMVVLMMLR-UHFFFAOYSA-N	193.637	2.006	50	30	AEGC	in-vitro
BrCCc1ccns1	306963174	HGYQCYJKZCPLGR-UHFFFAOYSA-N	192.081	2.081	50	30	AEGC	
CC(C)(C)OC(=O)OCCl	34088514	HGHYERVLYRBRPJ-UHFFFAOYSA-N	166.604	2.134	50	30	AEGC	
C[C@@H]1[C@@H](CBr)C1(F)F	409429707	DEXKNCFRHYBDIL-QWWZWVQMSA-N	185.011	2.283	50	30	AEGC	
ClCCc1cccc2c1CCO2	90500682	HOIWDDKWWRIJDG-UHFFFAOYSA-N	182.650	2.403	50	30	AEGC	
C[C@]1(CBr)CCCOC1	203622273	PMJMYYWQCAGPSB-SSDOTTSWSA-N	193.084	2.198	50	30	AEGC	
CC(C)C[C@@H](C)N(C)C(=O)CCl	37654150	WMUMRQSTMKKUNL-MRVPVSSYSA-N	191.702	2.118	50	30	AEGC	in-vitro
O=C(Cl)c1ncc(F)cc1Cl	39056960	GHERDHYGESGPJT-UHFFFAOYSA-N	193.992	2.253	50	30	AEGC	
C=C(C=O)CCCCC	5510592	LDGVIXYITWDQFB-UHFFFAOYSA-N	126.199	2.322	50	30	AEGC	
N#CCc1ccc(CCl)cc1	36404257	DKPMIKUVUZZAIL-UHFFFAOYSA-N	165.623	2.491	50	30	AEGC	in-vitro
N#C[C@H](Br)C1CCCC1	125845257	OIOYEUORMICJQO-ZETCQYMHSA-N	188.068	2.464	50	30	AEGC	
Cc1nccn1C[C@H](C)CCl	70066307	VYKHDXXZELAVCJ-SSDOTTSWSA-N	172.659	2.066	50	30	AEGC	in-vitro
BrCC[C@H]1CCCOC1	82955067	BUZZBFQYYPWQMQ-SSDOTTSWSA-N	193.084	2.198	50	30	AEGC	
COC(=O)[C@@H](Cl)c1cccc(C)c1	50977712	WBWSVXBALLOYSU-VIFPVBQESA-N	198.649	2.448	50	30	AEGC	
O=[S@](Cl)c1ccccc1F	199941281	CTSRSXIGBFNTQY-JTQLQIEISA-N	178.615	2.087	50	30	AEGC	
CCC1(C)CN(C(=O)Cl)C1	307214232	RLFSPRRYILKKFU-UHFFFAOYSA-N	161.632	2.077	50	30	AEGC	
CO[C@H]1CCC[C@@H](Br)C1	88107885	SSZDRDDLMFSIGC-RQJHMYQMSA-N	193.084	2.339	50	30	AEGC	
Cn1ncc(CCl)c1C(F)(F)F	74942567	NRYVGIDCPNIDGY-UHFFFAOYSA-N	198.575	2.178	50	30	AEGC	in-vitro
CC(C)CC[C@@H](O)CCl	104735385	UIGDANNMZNVMNX-SSDOTTSWSA-N	150.649	2.022	50	30	AEGC	in-vitro
CC(C)c1ncc(CCl)cn1	54857264	ATBAVFWFVMEUJA-UHFFFAOYSA-N	170.643	2.339	50	30	AEGC	
O=[S@@](Cl)c1ccccc1F	199941250	CTSRSXIGBFNTQY-SNVBAGLBSA-N	178.615	2.087	50	30	AEGC	
O=c1[nH]c2ccccc2cc1CCl	11568612	KLQZGMXIVAVSIE-UHFFFAOYSA-N	193.633	2.267	50	30	AEGC	in-vitro
CCC(C)=NNC(=O)OC(C)(C)C	308083490	SRDPPBNJUNAGNM-UHFFFAOYSA-N	186.255	2.297	50	30	AEGC	
ClCc1ccc2nsnc2c1	38220695	VLNMPERTAADHSX-UHFFFAOYSA-N	184.651	2.430	50	30	AEGC	
COC(=O)[C@H](Cl)c1ccsc1	50977716	GJZACWNBGIHSOZ-ZCFIWIBFSA-N	190.651	2.201	50	30	AEGC	in-vitro
[C-]#[N+]Cc1cccs1	106562446	BIGWFEMYDVEWQP-UHFFFAOYSA-N	123.180	2.167	50	30	AEGC	
FC(F)c1cc(CCl)no1	721021304	MJXHHPNZZHHXAR-UHFFFAOYSA-N	167.542	2.351	50	30	AEGC	
O=P(F)(OCCF)OCCF	95704103	NNDRYBNJYCMFFN-UHFFFAOYSA-N	192.073	2.036	50	30	AEGC	
C=C[P@](C)(=O)Cl	100419640	GYTPJBLRBFIDLC-LURJTMIESA-N	124.507	2.277	50	30	AEGC	
C[C@H](Cl)C(=O)Oc1ccccc1	39424457	PTFWCFRZCGETRS-ZETCQYMHSA-N	184.622	2.219	50	30	AEGC	
C[C@@H]1CC[C@@H](CCBr)O1	150131052	OBCIXCPTEKXRTJ-RQJHMYQMSA-N	193.084	2.339	50	30	AEGC	
CO[Si](C)(C)CCCl	197264521	JPUCXJPPHJORGK-UHFFFAOYSA-N	152.697	2.077	50	30	AEGC	
O=Cc1ccccc1CCl	34163891	QQJODMUSGDSKPF-UHFFFAOYSA-N	154.596	2.238	50	30	AEGC	in-vitro
CC(C)(C)c1nc(CCl)c[nH]1	62820704	GGFKKRHDDKXJCG-UHFFFAOYSA-N	172.659	2.446	50	30	AEGC	
C[C@@H]1C[C@@H](CBr)CCO1	85663708	PLCCUYBFCLNIDM-RQJHMYQMSA-N	193.084	2.196	50	30	AEGC	in-vitro
CC1(C)[C@H]2C=C(C=O)CC[C@H]21	13383488	RAHRTJHAYXOITA-BDAKNGLRSA-N	150.221	2.178	50	30	AEGC	
C[Si](C)(C)OC(=O)c1cccnc1	195781520	PYFBRRMHOWLGJH-UHFFFAOYSA-N	195.294	2.073	50	30	AEGC	
C=C1CC[C@@H](Br)C1	95923303	IALAAMUTGNFXGU-ZCFIWIBFSA-N	161.042	2.490	50	30	AEGC	
CC/C(C=O)=C\c1ccco1	31284465	UCPFCQBLYDXPTR-SOFGYWHQSA-N	150.177	2.272	50	30	AEGC	endogenous,in-man
CC(C)(C)SSCCO	34412957	WAYNOTPQBWPPBJ-UHFFFAOYSA-N	166.311	2.159	50	30	AEGC	
C[C@H](OC(=O)Cl)C(F)(F)F	116208605	KBGUMWDAVOODOL-REOHCLBHSA-N	176.521	2.313	50	30	AEGC	
CCC1=NO[C@@H]([C@H](C)Cl)C1	68593730	AVNMMECIALSKPZ-CAHLUQPWSA-N	161.632	2.169	50	30	AEGC	in-vitro
N#Cc1cc(N=C=O)ccc1Cl	199835343	CRFHRZUTHFEELM-UHFFFAOYSA-N	178.578	2.179	50	30	AEGC	
C/C=C(\C)CBr	95629794	WZEXBDRUCFODAA-HWKANZROSA-N	149.031	2.348	50	30	AEGC	
CCOC1CC(CBr)C1	233709235	FNVLJDYHZZEPOF-UHFFFAOYSA-N	193.084	2.196	50	30	AEGC	in-vitro
C[C@H]1OP(=O)(Cl)O[C@@H]1C	100384115	NWEOITOLZSNNEX-QWWZWVQMSA-N	170.532	2.157	50	30	AEGC	
COCCC1(CCl)CC1	85043304	SYDUHVPOJNLROQ-UHFFFAOYSA-N	148.633	2.042	50	30	AEGC	
CN(C)Cc1cccc(CCl)c1	20216495	QVKMEPVVLVSNDW-UHFFFAOYSA-N	183.682	2.487	50	30	AEGC	
CC1=CCCC[C@H]1C(=O)Cl	39056138	YDAXVEYUYGJWPL-SSDOTTSWSA-N	158.628	2.498	50	30	AEGC	
Cc1ccc(CCCl)cn1	57460443	UZQCPCHPKITDRD-UHFFFAOYSA-N	155.628	2.171	50	30	AEGC	
CCC1=NO[C@H]([C@H](C)Cl)C1	68593727	AVNMMECIALSKPZ-FSPLSTOPSA-N	161.632	2.169	50	30	AEGC	in-vitro
CO[Si](C)(C[C@@H](C)CCl)OC	195766775	KONYWZRRCDRQQS-ZETCQYMHSA-N	196.750	2.226	50	30	AEGC	
CCCC(=O)[C@@H](C)Br	88189976	SCOFXRPWXQJAEX-RXMQYKEDSA-N	179.057	2.139	50	30	AEGC	
COC(=O)N/N=C(\C)CCC(C)C	223491003	YIIUQTZDVKFOFB-CSKARUKUSA-N	186.255	2.155	50	30	AEGC	
FC(F)c1ccnc(CCl)n1	306274693	KBCFMDPIDNMNGN-UHFFFAOYSA-N	178.569	2.153	50	30	AEGC	
CC(C)[C@H]1CCN1C(=O)Cl	885269407	GKJAREMCAATXOB-ZCFIWIBFSA-N	161.632	2.076	50	30	AEGC	
ClCc1ccc(-n2ccnc2)nc1	40886005	STNKTEAPIVCFBD-UHFFFAOYSA-N	193.637	2.006	50	30	AEGC	in-vitro
CC(C)(C)[Si](C)(C)OC(C#N)C#N	195992678	AIQDCGCDLHCZHB-UHFFFAOYSA-N	196.326	2.424	50	30	AEGC	in-vitro
C=C1CC[C@H](Br)C1	95923302	IALAAMUTGNFXGU-LURJTMIESA-N	161.042	2.490	50	30	AEGC	
C[C@H]1C(Br)[C@@H]1C	95923835	ZJKDNNBVHLMMHF-QWWZWVQMSA-N	149.031	2.036	50	30	AEGC	
O=C(Cl)N1CCC(C(F)F)CC1	306430481	DGJQRNOQXRUXOI-UHFFFAOYSA-N	197.612	2.322	50	30	AEGC	
C[C@@H]1SCCSS1	2020146	UXPUEXDAOSQIQS-SCSAIBSYSA-N	152.309	2.461	50	30	AEGC	endogenous,in-man
CC(C)SCCl	39392555	GTGKNQUHLOGQGH-UHFFFAOYSA-N	124.636	2.324	50	30	AEGC	
Cc1cc(CCl)c(C2CC2)nn1	685945520	VNJDOJGGAANHJP-UHFFFAOYSA-N	182.654	2.401	50	30	AEGC	
CCc1ccc(CCl)nc1	34725799	RFQANNQGIYHMHO-UHFFFAOYSA-N	155.628	2.383	50	30	AEGC	
O=C/C=C(/Cl)C(=O)c1ccccc1	39055164	XSGCGLNPKIOTAG-RMKNXTFCSA-N	194.617	2.191	50	30	AEGC	
O=C(F)c1cccc(Cl)c1	39056135	ZJJKFUVNCPTQON-UHFFFAOYSA-N	158.559	2.450	50	30	AEGC	
BrC1[C@@H]2CCC[C@@H]12	100240423	ZTAMDWYIUNPWAA-RFZPGFLSSA-N	161.042	2.180	50	30	AEGC	
C[C@H]1C=C[C@H](C(=O)Cl)CC1	39056103	PMIGTBFMCLEXMP-BQBZGAKWSA-N	158.628	2.354	50	30	AEGC	
C/C(C=O)=C\[C@H]1C[C@H]2C=C[C@H]1C2	111486776	CVCVVXNCGPBRSF-SPJFXFQZSA-N	162.232	2.344	50	30	AEGC	
BrC[C@H]1C=CCC1	140657951	XDVAWVNHECPISE-LURJTMIESA-N	161.042	2.348	50	30	AEGC	
COc1cccc(C#CCCl)c1	37470630	HDJPUYBIGWKQHE-UHFFFAOYSA-N	180.634	2.286	50	30	AEGC	
C[C@@H]1CC(Cl)C[C@@H](C)O1	116317715	DXCQFCUGRWDOJU-PHDIDXHHSA-N	148.633	2.181	50	30	AEGC	
N#C[C@H]1CCCC[C@@H]1Br	75578194	OUIDFUZJSJVKMZ-RQJHMYQMSA-N	188.068	2.464	50	30	AEGC	in-vitro
CCOc1cccc(CCl)n1	51042725	YJTGYQUOPUSLFS-UHFFFAOYSA-N	171.627	2.219	50	30	AEGC	in-vitro
C[C@H]1CC[C@H](CCBr)O1	150130835	OBCIXCPTEKXRTJ-NKWVEPMBSA-N	193.084	2.339	50	30	AEGC	
N#Cc1ccc(Cl)cc1N=C=O	238587075	PVSMMSQPAKGIAL-UHFFFAOYSA-N	178.578	2.179	50	30	AEGC	
COCCC(C)(C)CBr	85050227	GEJXSUDUSJCFMK-UHFFFAOYSA-N	195.100	2.444	50	30	AEGC	
C[C@H](Br)C1CCOCC1	85664256	WDRQHIKCGHXQRX-LURJTMIESA-N	193.084	2.196	50	30	AEGC	in-vitro
Cc1nnc(C(Cl)Cl)s1	141604082	YKMDDQGBRBNZCM-UHFFFAOYSA-N	183.063	2.323	50	30	AEGC	
O=C=NC1(c2cccc(F)c2)CC1	75934113	AAAAROORUIPXFO-UHFFFAOYSA-N	177.178	2.151	50	30	AEGC	
CC(C)[C@@H](Cl)C(=O)Cl	39189375	AJCRZNJYNFAQAC-SCSAIBSYSA-N	155.024	2.015	50	30	AEGC	
CCC(C)(CC)OO	100067935	BWMWVYKKWYNWMF-UHFFFAOYSA-N	118.176	2.055	50	30	AEGC	
CC(C)C1=CCN(C(=O)Cl)OC1	39056871	IPJOOEDRWYKJGF-UHFFFAOYSA-N	189.642	2.175	50	30	AEGC	
CC(C)[C@H](C)I	79244794	PYXUFKGRYMMOIK-YFKPBYRVSA-N	198.047	2.466	50	30	AEGC	
COC[C@H]1CC[C@H](Br)C1	86529642	WHKAGFBDXZJERO-BQBZGAKWSA-N	193.084	2.196	50	30	AEGC	
CC(C)CCOC(=O)C(Cl)Cl	5759071	UQQSGXRKRFDREY-UHFFFAOYSA-N	199.077	2.379	50	30	AEGC	
C[C@@H](Br)[C@H]1CCCOC1	85664670	NDQYGDYNCDEWGC-RQJHMYQMSA-N	193.084	2.196	50	30	AEGC	
C[C@H]1CC[C@@H](CCBr)O1	150131277	OBCIXCPTEKXRTJ-BQBZGAKWSA-N	193.084	2.339	50	30	AEGC	
CCCCC[C@@H](SC#N)C(=O)O	604971853	MGFSYNHKHFBZOF-SSDOTTSWSA-N	187.264	2.234	50	30	AEGC	
COC(=O)[C@@H](Cl)c1ccsc1	50977719	GJZACWNBGIHSOZ-LURJTMIESA-N	190.651	2.201	50	30	AEGC	in-vitro
C=CSCCCl	5157953	KCCNHHACDJEDCX-UHFFFAOYSA-N	122.620	2.102	50	30	AEGC	
O=C=N[C@H]1CCCc2sccc21	62822088	KWCVBPCODOEVHJ-QMMMGPOBSA-N	179.244	2.461	50	30	AEGC	in-vitro
CC1(CBr)CC1	83119881	TVRZVAZKOTWIEC-UHFFFAOYSA-N	149.031	2.181	50	30	AEGC	
CCCCC(=O)CBr	83186795	YMIISQFLRUQIIW-UHFFFAOYSA-N	179.057	2.141	50	30	AEGC	
N#C[C@H](O)CCCCc1ccccc1	97971793	DYLWAQBBAIIOSZ-GFCCVEGCSA-N	189.258	2.284	50	30	AEGC	
Cc1ccc2c(N=C=O)c[nH]c2c1	107458183	LOCKHPTUVGEJNH-UHFFFAOYSA-N	172.187	2.444	50	30	AEGC	
CCCC[C@H](Cl)C#N	45626969	ATVDTOOBVYNLKI-LURJTMIESA-N	131.606	2.308	50	30	AEGC	
CC(C)(C)C1=NO[C@@H](CCl)C1	69969710	INXAKGGNNQAHGJ-ZCFIWIBFSA-N	175.659	2.416	50	30	AEGC	
C=C(C)C[C@H](O)C(Cl)Cl	136950612	DZAJRCYWHNZSMH-YFKPBYRVSA-N	169.051	2.117	50	30	AEGC	
C[C@@H]1CC[C@H](CBr)OC1	723211682	VGEWYVDHXNRLFR-RNFRBKRXSA-N	193.084	2.196	50	30	AEGC	
CN(CC(C)(C)C)C(=O)Cl	86894188	OJBYVQFIEZYRRH-UHFFFAOYSA-N	163.648	2.323	50	30	AEGC	in-vitro
O=C1CCC[C@H](CBr)C1	139964071	ZVMYQUMJSXFDFT-LURJTMIESA-N	191.068	2.141	50	30	AEGC	
COC(C)(CCCCl)OC	5761701	UBDRYQSBZIAAFH-UHFFFAOYSA-N	166.648	2.014	50	30	AEGC	
O=C(Cl)N1Cc2ccccc2C1=O	39057102	IDRHULKVTQXQRN-UHFFFAOYSA-N	195.605	2.001	50	30	AEGC	
O=C(Cl)c1cccc(Cl)c1O	95922811	WYNNSVYZZSTMJA-UHFFFAOYSA-N	191.013	2.425	50	30	AEGC	
CC(C)(C)[Si](C)(C)OCC#CC=O	196119976	OYZMPVYSFZYTTP-UHFFFAOYSA-N	198.338	2.211	50	30	AEGC	
Nc1ccccc1OCCCCl	34076108	VUMBHSVJQOBHGX-UHFFFAOYSA-N	185.654	2.277	50	30	AEGC	
O=C(O)CS(F)(F)(F)(F)F	118695941	LUVNRBGIHXZACQ-UHFFFAOYSA-N	186.101	2.370	50	30	AEGC	
CCCCCC[C@@H](O)/C=C/C=O	5820516	HDQZDHGXJUBNIK-QEHWCHDUSA-N	170.252	2.073	50	30	AEGC	
CC1=CCCC[C@@H]1C(=O)Cl	39056137	YDAXVEYUYGJWPL-ZETCQYMHSA-N	158.628	2.498	50	30	AEGC	
COC1(C(=O)Cl)CCCCC1	39056571	KLAPBILIKWADSC-UHFFFAOYSA-N	176.643	2.101	50	30	AEGC	in-vitro
CC[N+](CC)(CC)CCl	34087537	QBOWHDXYARGWBT-UHFFFAOYSA-N	150.673	2.059	50	30	AEGC	
C[C@@H]1C=C[C@@H](C(=O)Cl)CC1	39056164	PMIGTBFMCLEXMP-RNFRBKRXSA-N	158.628	2.354	50	30	AEGC	
C=C[P@@](C)(=O)Cl	100419638	GYTPJBLRBFIDLC-ZCFIWIBFSA-N	124.507	2.277	50	30	AEGC	
O=C(Cl)c1nc(CCl)cs1	39057037	YYRHYWJJIKIDHM-UHFFFAOYSA-N	196.058	2.261	50	30	AEGC	
C=CCOCCO[Si](C)(C)C	197077906	UZXPYPDEJOUUNR-UHFFFAOYSA-N	174.316	2.041	50	30	AEGC	
CCCCNCCCCl	58840890	NEIFFYIKZKMFII-UHFFFAOYSA-N	149.665	2.005	50	30	AEGC	
O=C=Nc1ccc2ncccc2c1	33378818	CERCVSIFSCEXGB-UHFFFAOYSA-N	170.171	2.202	50	30	AEGC	
O=C1O[C@H](c2ccccc2)C[C@H]1Cl	33606237	PPTAMHXAGMBIQQ-BDAKNGLRSA-N	196.633	2.282	50	30	AEGC	
C[C@H]1C[C@H](C)N(C(=O)Cl)C1	39056207	SIQKTWNLFWXTDW-WDSKDSINSA-N	161.632	2.076	50	30	AEGC	
CC1(C)C2C[C@H]3[C@@H](C2)C31C(=O)Cl	39056725	KBNCEYCHMQSWEH-QXAOEGQVSA-N	184.666	2.434	50	30	AEGC	
CCOC(=O)/C(C#N)=C/C1CCCC1	44231923	XOPIALXQAHAFOV-JXMROGBWSA-N	193.246	2.190	50	30	AEGC	
CCCN(CC)C(=O)Cl	86889745	ZTBGJRUHDDPDEK-UHFFFAOYSA-N	149.621	2.077	50	30	AEGC	
COc1nc(CCl)sc1C	642885889	XZWJVPSNWIMKLS-UHFFFAOYSA-N	177.656	2.199	50	30	AEGC	
COC(=O)c1ccccc1CCCl	95883697	UDCAWLBAPUTXDU-UHFFFAOYSA-N	198.649	2.255	50	30	AEGC	in-vitro
CC/C=C\CBr	82101976	FTBPZRNURKMEFD-ARJAWSKDSA-N	149.031	2.348	50	30	AEGC	
O=C(Cl)N1Cc2ccccc2C1	39056652	ULBYXUAYQUKEEA-UHFFFAOYSA-N	181.622	2.361	50	30	AEGC	
Cc1nccn1C[C@@H](C)CCl	70066306	VYKHDXXZELAVCJ-ZETCQYMHSA-N	172.659	2.066	50	30	AEGC	in-vitro
ClCC(Br)CCl	95679238	PVYQWLHAHRIROF-UHFFFAOYSA-N	191.883	2.228	50	30	AEGC	
C[C@@H](OC(=O)Cl)C(F)(F)F	116208602	KBGUMWDAVOODOL-UWTATZPHSA-N	176.521	2.313	50	30	AEGC	
O=C(O)Cc1ccc(N=C=S)cc1	13558826	HQHRFCZZJLWJKI-UHFFFAOYSA-N	193.227	2.048	50	30	AEGC	
CCOCc1nc(CCl)cs1	34960659	QWQLHCXGZJEJBL-UHFFFAOYSA-N	191.683	2.418	50	30	AEGC	
CSCCCBr	38063439	GNHPNQQIVWCDEU-UHFFFAOYSA-N	169.087	2.134	50	30	AEGC	
O=C(O)Cc1cccc(N=C=S)c1	82892281	ALAOECCPZJFAJY-UHFFFAOYSA-N	193.227	2.048	50	30	AEGC	
COc1ccccc1CCCl	32144526	VQFZTCNDECMBFP-UHFFFAOYSA-N	170.639	2.477	50	30	AEGC	
O=C1CCC[C@@H]1CCBr	34413105	YVJLOYLDTKXDTK-ZCFIWIBFSA-N	191.068	2.141	50	30	AEGC	in-vitro
O=C(Cl)c1cccc2c1OCCC2	34936277	TTYLUAYKWAEQDM-UHFFFAOYSA-N	196.633	2.391	50	30	AEGC	in-vitro
O=C(Cl)c1ccc2cnncc2c1	39056943	DVRFDRYSYZXVTR-UHFFFAOYSA-N	192.605	2.009	50	30	AEGC	
[C-]#[N+]CCc1cccc(C)c1	95697892	SIWHAIKAGCWXHF-UHFFFAOYSA-N	145.205	2.457	50	30	AEGC	
C[C@@H]1CC[C@H](Cl)C[C@@H]1C(=O)O	6030965	RSDARHRNBUATQI-VQVTYTSYSA-N	176.643	2.115	50	30	AEGC	
CCC1CCC(N=C=O)CC1	62822220	IOTXXNJPRHXFCR-UHFFFAOYSA-N	153.225	2.291	50	30	AEGC	
BrCCC[C@@H]1CCOC1	70791471	LUCDEMLGTTVGJR-SSDOTTSWSA-N	193.084	2.198	50	30	AEGC	in-vitro
COC[C@@H](CBr)C(C)C	83178999	GBMYPKZMPHUSNG-SSDOTTSWSA-N	195.100	2.300	50	30	AEGC	
Cc1cc(C(=O)Cl)n(C2CCC2)n1	39057137	XPLJWGJLCHMSNT-UHFFFAOYSA-N	198.653	2.296	50	30	AEGC	
C[C@@H]1CC[C@H](CCBr)O1	150130600	OBCIXCPTEKXRTJ-RNFRBKRXSA-N	193.084	2.339	50	30	AEGC	
ClCc1ccc2c(c1)CCOC2	575494092	VAHXSPWQVXRVIC-UHFFFAOYSA-N	182.650	2.498	50	30	AEGC	
Cc1cc(CCl)nc(C2CC2)n1	54833077	FOJYJHWDGCUHDO-UHFFFAOYSA-N	182.654	2.401	50	30	AEGC	
O=C(O)CCc1ccc(CCl)cc1	59902247	MKPLJZUJXIBZMJ-UHFFFAOYSA-N	198.649	2.443	50	30	AEGC	
CCc1ncc(CCl)s1	82688947	OSMNJSLUFGQCRO-UHFFFAOYSA-N	161.657	2.444	50	30	AEGC	
CC(F)(F)CCBr	212534425	PXGQUVAOZVWRSA-UHFFFAOYSA-N	173.000	2.427	50	30	AEGC	
CC(C)(C)N1CCC(Cl)CC1	21990071	HWMXPYHJTVUJQK-UHFFFAOYSA-N	175.703	2.488	50	30	AEGC	
Cc1cc(N)c(C(=O)CCl)cc1C	39123929	QHCPXJGRNIPPKM-UHFFFAOYSA-N	197.665	2.307	50	30	AEGC	
Cc1cc([C@@H](C)Cl)on1	59664560	BOWVZNYQDQHJHN-RXMQYKEDSA-N	145.589	2.283	50	30	AEGC	
C[C@@]1(CBr)CCCCO1	306323540	VJBBBDJHTIGVPI-ZETCQYMHSA-N	193.084	2.341	50	30	AEGC	
ClCc1n[nH]c2ccccc12	34140741	FNTWTKVKNSOHDU-UHFFFAOYSA-N	166.611	2.302	50	30	AEGC	
S=C=Nc1ccsc1	39212418	LOATUYXBISJSMP-UHFFFAOYSA-N	141.220	2.482	50	30	AEGC	in-vitro
Nc1cccc(OCCCCl)c1	104527636	FSVLCLYVKABINE-UHFFFAOYSA-N	185.654	2.277	50	30	AEGC	
C[C@@H](F)CCBr	98210192	ICOSIIBKPOCTDV-SCSAIBSYSA-N	155.010	2.129	50	30	AEGC	
C=C[Si](C)(C)CBr	199584171	RLMBBRVNFVZGQO-UHFFFAOYSA-N	179.133	2.354	50	30	AEGC	
BrCC1C[C@@H]2C[C@H]2C1	126504630	JKZAGFFHXDSOQV-RNFRBKRXSA-N	175.069	2.427	50	30	AEGC	in-vitro
CCCC#CCBr	96334618	VIXOOIRHFJMNBT-UHFFFAOYSA-N	161.042	2.185	50	30	AEGC	
BrC[C@@H]1[C@H]2CCC[C@H]21	252368231	KNQMXYPZTYQAHD-ZMONIFLSSA-N	175.069	2.427	50	30	AEGC	
CC1(C(=O)Cl)SCCCS1	39057112	YROFZXAGODCZQS-UHFFFAOYSA-N	196.724	2.338	50	30	AEGC	
CCc1cnc(CC)c(/C=C\C#N)n1	39115248	ASXNYHSHPDSKRY-WAYWQWQTSA-N	187.246	2.138	50	30	AEGC	
C=C(C=O)[C@@H](C)C(C)C	33608601	QUDBAGFQCACQMZ-QMMMGPOBSA-N	126.199	2.034	50	30	AEGC	
O=[N+]([O-])c1ccc(O)cc1CCl	79237627	JKIIRTYAMKLAOU-UHFFFAOYSA-N	187.582	2.039	50	30	AEGC	in-vitro
COC[C@H](CBr)C(C)C	83179003	GBMYPKZMPHUSNG-ZETCQYMHSA-N	195.100	2.300	50	30	AEGC	
CC(C)c1cnc(CCl)nc1	95757441	QEPFIRFKVVBMAQ-UHFFFAOYSA-N	170.643	2.339	50	30	AEGC	
[N-]=[N+]=NCCCCBr	196902574	NAUFGMJQXHPOKK-UHFFFAOYSA-N	178.033	2.472	50	30	AEGC	in-vitro
N#Cc1ccc(C(=O)Cl)cc1F	115722207	UCMPFBWQSCDQMY-UHFFFAOYSA-N	183.569	2.076	50	30	AEGC	in-vitro
CC1=CC(C)(C)CC(C=O)=C1	38972957	QBMDHGWKZOCBPI-UHFFFAOYSA-N	150.221	2.488	50	30	AEGC	
C=C(C=O)CC/C=C\CC	38647071	MVRIQXQTGVCWOS-PLNGDYQASA-N	138.210	2.488	50	30	AEGC	
CC1(C)CCC(N=C=O)CC1	70621277	YBDUOSLZPXYPDV-UHFFFAOYSA-N	153.225	2.291	50	30	AEGC	
CC(C)c1cccc([C@H](O)C#N)c1	100268473	FQGPRXDIZZBPDL-LLVKDONJSA-N	175.231	2.367	50	30	AEGC	
C[C@H](Cl)Cc1ccncc1	39120789	SSTLDLHWSDXCCA-ZETCQYMHSA-N	155.628	2.251	50	30	AEGC	
COc1ccc(Cl)c(N=C=O)c1	62822122	AHGNKGVBOQBDGQ-UHFFFAOYSA-N	183.594	2.316	50	30	AEGC	in-vitro
C[C@@H]1CC[C@@H](Cl)C1	70651354	XZTDXLYILUJOTB-PHDIDXHHSA-N	118.607	2.414	50	30	AEGC	in-vitro
N#C[C@@H]1CCCC[C@H]1Cl	75529337	OZYBRLKYABATKS-NKWVEPMBSA-N	143.617	2.308	50	30	AEGC	in-vitro
Cc1ccsc1N=C=O	19503704	QQLKGCQKXTVFOC-UHFFFAOYSA-N	139.179	2.024	50	30	AEGC	
CCCOC(=O)O[C@@H](C)Cl	34077137	WSMINTWDWKPQQQ-YFKPBYRVSA-N	166.604	2.134	50	30	AEGC	in-vitro
CC[C@H](C)CN(C)C(=O)Cl	86889775	OHUJBQLRQYVOCI-LURJTMIESA-N	163.648	2.323	50	30	AEGC	
CC[P@](C)(=O)Cl	100058083	KJKWGCTWYJCDHP-LURJTMIESA-N	126.523	2.153	50	30	AEGC	
CCOC(C)(C)CBr	149200151	UARFJWNTENRZAT-UHFFFAOYSA-N	181.073	2.196	50	30	AEGC	
COc1c(Cl)cccc1N=C=O	34082238	NBRZBJSIXZZWMF-UHFFFAOYSA-N	183.594	2.316	50	30	AEGC	
COc1ccc(N=C=O)c(Cl)c1	71499449	KZPAGXBXPGFMFK-UHFFFAOYSA-N	183.594	2.316	50	30	AEGC	
C=C(CCC)C(=O)Cl	2541519	NVPLQKBUZZEYKW-UHFFFAOYSA-N	132.590	2.108	50	30	AEGC	
CC(C)CCSC#N	34156341	ORHMKUZMEMIFRD-UHFFFAOYSA-N	129.228	2.247	50	30	AEGC	
CCC1CC(C(=O)Cl)C1	39055938	PXCMZBDFAWHSSX-UHFFFAOYSA-N	146.617	2.188	50	30	AEGC	
CCCC(C)(C)OO	100126616	BZGMEGUFFDTCNP-UHFFFAOYSA-N	118.176	2.055	50	30	AEGC	
COC1CCC(=CC#N)CC1	95829245	SPBXZUHBIRCWRE-UHFFFAOYSA-N	151.209	2.025	50	30	AEGC	in-vitro
O=C=NCc1cccc(Cl)c1	19730707	JOZKKHBHVQMRHT-UHFFFAOYSA-N	167.595	2.176	50	30	AEGC	in-vitro
C[C@@H]1C[C@H](CBr)CCO1	85663704	PLCCUYBFCLNIDM-RNFRBKRXSA-N	193.084	2.196	50	30	AEGC	in-vitro
C[C@]1(C(=O)Cl)C[C@@]1(F)Cl	34348305	PFIHCNJKOIKNPW-UHNVWZDZSA-N	170.998	2.066	50	30	AEGC	
ClC1(Cl)C[C@H]1Br	118030963	XNHGDEYPUNAQJA-UWTATZPHSA-N	189.867	2.328	50	30	AEGC	
O=C(Cl)c1ccnc(CCl)c1	39056843	DSWWMPQZHQBAFY-UHFFFAOYSA-N	190.029	2.199	50	30	AEGC	
O=C(Cl)N1[C@H]2CCC[C@H]1CC2	196415512	VAPVXQWJZXBOHN-BQBZGAKWSA-N	173.643	2.362	50	30	AEGC	
C[C@@H](Cl)C[C@@H]1CCOC1	575531940	LKPSOUSQVYHRAX-RQJHMYQMSA-N	148.633	2.040	50	30	AEGC	
O=C(Cl)[C@H]1CC[C@@H](Cl)C1	39056314	GVWKCFKMWJCOOV-CRCLSJGQSA-N	167.035	2.159	50	30	AEGC	
Cc1nscc1CCl	39283899	NAQCBYNVOXNMLO-UHFFFAOYSA-N	147.630	2.190	50	30	AEGC	
CCc1cnc(CCl)s1	61803061	OMNARGNMMFLYFU-UHFFFAOYSA-N	161.657	2.444	50	30	AEGC	
BrCCCc1cnoc1	54670016	CEEYDRJNHZWOQO-UHFFFAOYSA-N	190.040	2.002	50	30	AEGC	
CC(C)(CBr)C[C@@H]1CO1	39148453	MLDWKEOYLOCNDH-ZCFIWIBFSA-N	193.084	2.196	50	30	AEGC	
O=C(Cl)N1C[C@H]2CCCC[C@H]2C1	306681187	NGKKGRHSYZDOBJ-OCAPTIKFSA-N	187.670	2.467	50	30	AEGC	
O=C(F)C12CCC(CC1)CC2	39056028	QRXGPWZIBNQHQC-UHFFFAOYSA-N	156.200	2.453	50	30	AEGC	
CC1(C)Cc2cccc(N=C=O)c2O1	12370192	JTJCJMYVKXVWIJ-UHFFFAOYSA-N	189.214	2.367	50	30	AEGC	in-vitro
N#CC(C#N)=C(O)C1CCCCC1	39114825	DCHGDYPJCSCORE-UHFFFAOYSA-N	176.219	2.426	50	30	AEGC	
ClCC1[C@@H]2CCC[C@@H]12	104688079	DMRQATARJJCRJU-PHDIDXHHSA-N	130.618	2.271	50	30	AEGC	
ClC[C@H]1C[C@@H]1Br	104718013	ZWVGHLJSROOWQH-DMTCNVIQSA-N	169.449	2.009	50	30	AEGC	
CCCCCC[C@H](O)/C=C/C=O	5820394	HDQZDHGXJUBNIK-PCGIRMHASA-N	170.252	2.073	50	30	AEGC	
CC(=O)CC(C)(C)OOC(C)(C)C	100120865	ODEURDFKGFSFKX-UHFFFAOYSA-N	188.267	2.491	50	30	AEGC	
Cn1ccc2c(N=C=O)cccc21	12370306	TVGVHXVLMROUII-UHFFFAOYSA-N	172.187	2.146	50	30	AEGC	in-vitro
Cc1cc([C@H](C)Cl)on1	59664562	BOWVZNYQDQHJHN-YFKPBYRVSA-N	145.589	2.283	50	30	AEGC	
C[C@H]1C[C@@H](C)N(C(=O)Cl)C1	39056209	SIQKTWNLFWXTDW-NTSWFWBYSA-N	161.632	2.076	50	30	AEGC	
C[C@@H](Cl)I	113641577	RYAGQMSEMGVLGY-REOHCLBHSA-N	190.411	2.006	50	30	AEGC	
O=C(Cl)C1=C[C@H]2CC[C@H]1C2	100198378	ZSEUGXYKIHYNNF-WDSKDSINSA-N	156.612	2.108	50	30	AEGC	
ClCC[C@@H]1COC2(CCCC2)O1	95829546	WZHUWUXPLOSZLR-MRVPVSSYSA-N	190.670	2.301	50	30	AEGC	
Cc1ccc([C@@H](C)N=C=O)s1	62822148	YAGZNNPMCUPFPR-SSDOTTSWSA-N	167.233	2.453	50	30	AEGC	in-vitro
CC(C)[C@@H](C)C(=O)Cl	39245282	MYJXBWNOORYUSN-RXMQYKEDSA-N	134.606	2.044	50	30	AEGC	in-vitro
CCCC(=O)[C@H](C)Br	88189977	SCOFXRPWXQJAEX-YFKPBYRVSA-N	179.057	2.139	50	30	AEGC	
CC1(CCCCCl)OCCO1	98095530	AFFCAKKBRLTNFX-UHFFFAOYSA-N	178.659	2.159	50	30	AEGC	in-vitro
CC(C)Oc1ccc([C@H](O)C#N)cc1	103123668	DOCIJUMCSDAALE-LLVKDONJSA-N	191.230	2.031	50	30	AEGC	
CCCCOC(=O)[C@H](Cl)CCl	103839486	RQSDGSZMJSYKBB-ZCFIWIBFSA-N	199.077	2.176	50	30	AEGC	
CC(C)(Br)CC(=O)Cl	216884972	OYOSKIMJNMGZCK-UHFFFAOYSA-N	199.475	2.315	50	30	AEGC	
O=C=NCCC1CCCCC1	19502405	FRZASDFCNJQWML-UHFFFAOYSA-N	153.225	2.293	50	30	AEGC	
ClC[C@H]1C[C@H]1Br	104718002	ZWVGHLJSROOWQH-QWWZWVQMSA-N	169.449	2.009	50	30	AEGC	
CC(=O)/C(C#N)=C/c1ccsc1	173065	HZLFVQIFMDWVGN-RUDMXATFSA-N	177.228	2.244	50	30	AEGC	
Cl[C@@H](c1ccccc1)c1ncno1	40863657	SOKJCVZWWMDDPH-QMMMGPOBSA-N	194.621	2.398	50	30	AEGC	in-vitro
O=C(F)C12C=CC(CC1)CC2	39056035	ZGBCDHJHZYVKOZ-UHFFFAOYSA-N	154.184	2.229	50	30	AEGC	
BrCC[C@@H]1CCCCO1	39291086	PCXOVDMMOFKADA-ZETCQYMHSA-N	193.084	2.341	50	30	AEGC	in-vitro
CC(C)(C)n1cc(CCl)cn1	80691650	JNVUTRVOBBXOGB-UHFFFAOYSA-N	172.659	2.377	50	30	AEGC	
C[C@H](Cl)OC(=O)C(C)(C)C	33506545	VQEZDLXEVJCRMO-RXMQYKEDSA-N	164.632	2.161	50	30	AEGC	in-vitro
CC(=C(C#N)C#N)c1ccc(N)cc1	14944543	UDNNQFHSLNHDGH-UHFFFAOYSA-N	183.214	2.089	50	30	AEGC	
CCCC[C@H]1O[C@@H]1CBr	238248807	IAMRQCBIZFTZCT-RNFRBKRXSA-N	193.084	2.339	50	30	AEGC	in-vitro
FC1(F)[C@@H]2CC(Br)C[C@H]21	238674470	MEDYVHRNUPESTK-RFZPGFLSSA-N	197.022	2.425	50	30	AEGC	
CC(C)C[C@H](C)N(C)C(=O)CCl	37654151	WMUMRQSTMKKUNL-QMMMGPOBSA-N	191.702	2.118	50	30	AEGC	in-vitro
C[C@H](Cl)CNC(=O)OC(C)(C)C	39091135	BBAFVRDQRAEQAF-LURJTMIESA-N	193.674	2.138	50	30	AEGC	in-vitro
C[C@]1(C(=O)Cl)C[C@]1(F)Cl	34348307	PFIHCNJKOIKNPW-RFZPGFLSSA-N	170.998	2.066	50	30	AEGC	
Cc1cnc(F)c(CCl)c1	95761995	JYKSUUPPFPHCLX-UHFFFAOYSA-N	159.591	2.268	50	30	AEGC	
Cc1cccc(OC(=O)N(C)N=O)c1	5782293	NZYUVIMKVYSWHV-UHFFFAOYSA-N	194.190	2.107	50	30	AEGC	
ClCC1[C@H]2CCC[C@H]12	104688085	DMRQATARJJCRJU-WDSKDSINSA-N	130.618	2.271	50	30	AEGC	
CCC(C)(C)N(C)C(=O)Cl	86894366	RRHXZOSIFBDJJD-UHFFFAOYSA-N	163.648	2.466	50	30	AEGC	in-vitro
COc1ccc(Cl)nc1CCl	238344971	PXFITUGMWWPHFZ-UHFFFAOYSA-N	192.045	2.482	50	30	AEGC	
Cc1cc(CN=C=O)ccc1Cl	147792067	PALOBAKPRWHNMZ-UHFFFAOYSA-N	181.622	2.484	50	30	AEGC	
CC[C@@]1(C)COO[C@H](C(C)C)O1	100268379	NTHKUVOTWLIPDN-BDAKNGLRSA-N	174.240	2.116	50	30	AEGC	
CCOC(=O)SCl	111422253	MDDRQVPVBIQMQV-UHFFFAOYSA-N	140.591	2.030	50	30	AEGC	
CCCCCC[C@H]1CC(=O)OC1=O	104371182	NTUIKGUMDLSOBX-QMMMGPOBSA-N	184.235	2.047	50	30	AEGC	
Cn1c(N=C=O)cc2ccc(F)cc21	107134260	KEXLPWINFLEWOD-UHFFFAOYSA-N	190.177	2.285	50	30	AEGC	
BrCCOCC1CCC1	299805178	BAJLRAHOUBOIPB-UHFFFAOYSA-N	193.084	2.198	50	30	AEGC	
C#CC1=C(C=O)CCCCC1	39049692	KIUCPEBDTWTWMS-UHFFFAOYSA-N	148.205	2.079	50	30	AEGC	
C[C@H](Cl)C[C@H]1CCOC1	575531936	LKPSOUSQVYHRAX-NKWVEPMBSA-N	148.633	2.040	50	30	AEGC	
C[C@H]1CC[C@H](Cl)C1	70651353	XZTDXLYILUJOTB-WDSKDSINSA-N	118.607	2.414	50	30	AEGC	in-vitro
Br[C@@H]1CC12CCC2	196554938	FQXDBBSVWKSTJZ-RXMQYKEDSA-N	161.042	2.324	50	30	AEGC	
N#CC1(CCl)CCCC1	34247256	JXGJKOPISDNFTG-UHFFFAOYSA-N	143.617	2.309	50	30	AEGC	in-vitro
O=[S@](Cl)C1CCCCC1	104839384	ZGQKEEKFCPNSTD-SECBINFHSA-N	166.673	2.222	50	30	AEGC	
N#C[C@@H]1CCCC[C@@H]1Cl	75529333	OZYBRLKYABATKS-BQBZGAKWSA-N	143.617	2.308	50	30	AEGC	in-vitro
CSC(C)(C)CCl	104718169	DUTPESZACJEEER-UHFFFAOYSA-N	138.663	2.367	50	30	AEGC	
CC(C)CCC(=O)CCl	74942604	IXGVZCBINOOXCB-UHFFFAOYSA-N	148.633	2.231	50	30	AEGC	in-vitro
C/C=C/CC/C=C/C=O	1850341	CBXNRMOWVZUZQA-BLWKUPHCSA-N	124.183	2.098	50	30	AEGC	endogenous,in-man
C[Si](C)(C)CSC#N	195767139	JZSMVMFDFSEZQI-UHFFFAOYSA-N	145.303	2.078	50	30	AEGC	
O=C1CCC(CBr)CC1	90627527	TXKUIDPIVDLMHW-UHFFFAOYSA-N	191.068	2.141	50	30	AEGC	in-vitro
C=CCCCSC#N	104400661	DDXWRFXSAYFRRE-UHFFFAOYSA-N	127.212	2.167	50	30	AEGC	
CC(C)(C)c1cc(C(=O)Cl)n[nH]1	39056789	AUWMYURWNXEUHD-UHFFFAOYSA-N	186.642	2.086	50	30	AEGC	
N#C/C=C1/CCc2cc3c(cc21)OCC3	39112613	NEELNHPPKGLTQL-OQFOIZHKSA-N	197.237	2.475	50	30	AEGC	
C[C@H]1CC(Cl)C[C@H](C)O1	116317714	DXCQFCUGRWDOJU-WDSKDSINSA-N	148.633	2.181	50	30	AEGC	
CC(C)CCNCCBr	135817926	TZXJHDCCHLINTR-UHFFFAOYSA-N	194.116	2.017	50	30	AEGC	
CCCC[C@@H](Cl)C#N	45626970	ATVDTOOBVYNLKI-ZCFIWIBFSA-N	131.606	2.308	50	30	AEGC	
O=C=Nc1c[nH]c2ccc(F)cc12	107458756	QSCHMQXFYNHMRC-UHFFFAOYSA-N	176.150	2.274	50	30	AEGC	
Cc1ccccc1[C@H](C)N=C=O	62822259	LAXZVKNOZKBMQK-VIFPVBQESA-N	161.204	2.392	50	30	AEGC	
Cc1ccc(C)c(CCl)n1	95763877	FRMBNSIQEAQMCZ-UHFFFAOYSA-N	155.628	2.437	50	30	AEGC	
FC1CC(CBr)C1	722628141	QMBXRHISFBCMGJ-UHFFFAOYSA-N	167.021	2.129	50	30	AEGC	
Cc1ccc(CCl)c(C)n1	55331017	RAVQXKOVEOOOFV-UHFFFAOYSA-N	155.628	2.437	50	30	AEGC	in-vitro
ClCc1nc2cccnc2s1	34247212	PEZKJSQLIHPQMD-UHFFFAOYSA-N	184.651	2.430	50	30	AEGC	
Fc1nccc(CCl)c1F	238600061	WPWPOWFLUPXKAN-UHFFFAOYSA-N	163.554	2.099	50	30	AEGC	
C[C@@H](Br)c1ncco1	306791231	WWSUTZWRSJHHKN-SCSAIBSYSA-N	176.013	2.131	50	30	AEGC	
C=C(C#N)C(C)(C)C	39268533	GURORDQYFXXZCY-UHFFFAOYSA-N	109.172	2.112	50	30	AEGC	
Fc1ccc(OCCl)cc1	78749919	QTZCJQOFRVIAPA-UHFFFAOYSA-N	160.575	2.401	50	30	AEGC	
O=C(Cl)N1C[C@H]2CCC[C@H]2C1	126658167	NMPKEDQLDGICOB-KNVOCYPGSA-N	173.643	2.077	50	30	AEGC	
CC1=C(C=O)C=CC=CC=C1	39061632	AEAKORPVVFTPMB-UHFFFAOYSA-N	146.189	2.184	50	30	AEGC	
C[C@@H]1OP(=O)(Cl)O[C@H]1C	100382940	NWEOITOLZSNNEX-IMJSIDKUSA-N	170.532	2.157	50	30	AEGC	
FC(F)SCl	141200746	PVGXPSIJXXNWSR-UHFFFAOYSA-N	118.535	2.096	50	30	AEGC	
CC1(C)CCCN(C(=O)Cl)C1	86894373	JLTRWWFPNZXDSG-UHFFFAOYSA-N	175.659	2.467	50	30	AEGC	
Cc1cc(C)c(C=C(C#N)C#N)[nH]1	110896	HKNYHJQBEMOYLQ-UHFFFAOYSA-N	171.203	2.062	50	30	AEGC	
C/C=C/[C@H](C)Br	96331754	LIPODSDLKCMVON-BHYDHMSTSA-N	149.031	2.346	50	30	AEGC	
ClCc1cccc2c1CCOC2	238519883	JCVBDQNLPIIWIF-UHFFFAOYSA-N	182.650	2.498	50	30	AEGC	
CCNc1ccnc(CCl)c1	82164195	RWHNTFJLFQMXHJ-UHFFFAOYSA-N	170.643	2.252	50	30	AEGC	in-vitro
CO[Si](C)(C)C(C)C	197027793	LTJUCEWBHDKRBL-UHFFFAOYSA-N	132.279	2.248	50	30	AEGC	
Br[C@@H]1NCc2ccccc21	95931280	QRKTWKCHFMGEBI-MRVPVSSYSA-N	198.063	2.183	50	30	AEGC	
O=[P@@]1(Cl)C=CCC1	111389360	HUSTZVJBPMIGEX-ZETCQYMHSA-N	136.518	2.421	50	30	AEGC	
ClCOC1CCCC1	34515152	ZQZBBQNLHWBXPW-UHFFFAOYSA-N	134.606	2.142	50	30	AEGC	in-vitro
CC(C)CC(C(=O)Cl)C(=O)Cl	103836017	KZDYLDNWCHKFLN-UHFFFAOYSA-N	197.061	2.180	50	30	AEGC	
C/C=C\CCCl	111393955	QTRJVMJEBVLXOK-IHWYPQMZSA-N	104.580	2.191	50	30	AEGC	
C[C@H]1C[C@@H](C)CN(C(=O)Cl)C1	62466288	XKWWTGFKHIQSCM-KNVOCYPGSA-N	175.659	2.323	50	30	AEGC	
CSSC(C)C	5761046	MRCFHOIQEFOJEC-UHFFFAOYSA-N	122.258	2.406	50	30	AEGC	
ClC1(CBr)CC1	238505929	CJSWRUBKMFZEGP-UHFFFAOYSA-N	169.449	2.153	50	30	AEGC	
O=C=Nc1ccc(Br)o1	19505118	HJFITGQETMLRMQ-UHFFFAOYSA-N	187.980	2.009	50	30	AEGC	
CC(C)CO[Si](C)(C)C	195781331	ZQINJXJSYYRJIV-UHFFFAOYSA-N	146.306	2.494	50	30	AEGC	
C[C@@H]1CC[C@@H](Cl)C[C@@H]1C(=O)O	6031080	RSDARHRNBUATQI-QYNIQEEDSA-N	176.643	2.115	50	30	AEGC	
O=C(Cl)/C=C\c1ccco1	72230706	IMRILMSKMWAKCC-ARJAWSKDSA-N	156.568	2.058	50	30	AEGC	
COc1ccc(SC#N)cc1	1095297	IPIDKUNLAGUKAZ-UHFFFAOYSA-N	165.217	2.268	50	30	AEGC	
Cc1c([N+](=O)[O-])ccnc1CCl	35076489	JGITUYGRSZWVLB-UHFFFAOYSA-N	186.598	2.037	50	30	AEGC	
Nc1ccccc1CBr	34198287	AHJOVYCBIADOET-UHFFFAOYSA-N	186.052	2.164	50	30	AEGC	in-vitro
O/C(Br)=C/CCCl	299754740	NHJCLHCDMVVZPQ-DUXPYHPUSA-N	185.448	2.410	50	30	AEGC	
Nc1ccccc1CCl	20216992	JFJQMUQRTCGSFC-UHFFFAOYSA-N	141.601	2.008	50	30	AEGC	in-vitro
CO[C@H](CBr)CC(C)C	299805475	PPDDSJOHSDATBC-ZETCQYMHSA-N	195.100	2.442	50	30	AEGC	
FC(F)CCCBr	145396206	JOEIOCMDYOLTTN-UHFFFAOYSA-N	173.000	2.427	50	30	AEGC	
C[C@H]1C[C@@H](C)CN1C(=O)Cl	39056206	SIQKTWNLFWXTDW-RITPCOANSA-N	161.632	2.076	50	30	AEGC	
N#Cc1cc(F)cc(C#CCCl)c1	85633845	QGECMHUOPNYHQJ-UHFFFAOYSA-N	193.608	2.288	50	30	AEGC	
C=C(C)CC(=O)C(Cl)Cl	224234324	RYROVVIQULQSCI-UHFFFAOYSA-N	167.035	2.325	50	30	AEGC	
CC1(C)CC(=O)[C@H]1CCCl	2265384661	GLMYXJLMSYJSMA-ZCFIWIBFSA-N	160.644	2.231	50	30	AEGC	
CCc1ccc(N)c(C(=O)CCl)c1	38996677	YSOBUXDYZIUMAM-UHFFFAOYSA-N	197.665	2.253	50	30	AEGC	
O=C=Nc1ccc2c(c1)N=N2	96331816	UBEAFFJZQPGVFZ-UHFFFAOYSA-N	145.121	2.383	50	30	AEGC	
C[C@@H](Cl)CCBr	2507812	ZHTDTJPDPPKLTG-SCSAIBSYSA-N	171.465	2.399	50	30	AEGC	
C=C=CCCBr	79670885	FRCYODXAVIIGTN-UHFFFAOYSA-N	147.015	2.113	50	30	AEGC	
CCC(C)(C)C(=O)CCl	82707865	HJKJTWHMUWAAFA-UHFFFAOYSA-N	148.633	2.231	50	30	AEGC	
CCCCC[C@H](C)OO	111327430	FWELUXZVATZEMI-ZETCQYMHSA-N	132.203	2.445	50	30	AEGC	
CC1(C)CN(C(=O)Cl)CCS1	135218045	BFPUNVUIVRORLI-UHFFFAOYSA-N	193.699	2.173	50	30	AEGC	
C[C@@H]1CN(C(=O)Cl)C(C)(C)C1	306712543	ZFRJARYBVFTYEI-LURJTMIESA-N	175.659	2.466	50	30	AEGC	
CO[C@@H](CBr)CC(C)C	299805474	PPDDSJOHSDATBC-SSDOTTSWSA-N	195.100	2.442	50	30	AEGC	
C[C@H](Br)[C@H]1CCCOC1	85664664	NDQYGDYNCDEWGC-BQBZGAKWSA-N	193.084	2.196	50	30	AEGC	
O=C=NCSc1ccccc1	238695207	FZBACRCGFBPVRE-UHFFFAOYSA-N	165.217	2.072	50	30	AEGC	
[C-]#[N+][C@@H](C)C(C)(C)C	100493468	LSXJIKHGMFLEQQ-LURJTMIESA-N	111.188	2.340	50	30	AEGC	
N#CSc1ccc(O)c2c1CCC2	39112138	RXAOSYYRENLMBE-UHFFFAOYSA-N	191.255	2.454	50	30	AEGC	
CCC1=NO[C@H]([C@@H](C)Cl)C1	68593721	AVNMMECIALSKPZ-VDTYLAMSSA-N	161.632	2.169	50	30	AEGC	in-vitro
CC(C)(C#N)CCBr	83822430	XEYDLTVVSSVNKU-UHFFFAOYSA-N	176.057	2.321	50	30	AEGC	in-vitro
ClCC1SCCS1	38415861	HZXIGTCQJZOQFQ-UHFFFAOYSA-N	154.687	2.031	50	30	AEGC	
Oc1ccc2nc(CCl)oc2c1	98096546	GTNJJDZGFZHAGW-UHFFFAOYSA-N	183.594	2.272	50	30	AEGC	in-vitro
FC(F)(F)c1cnc(CCl)[nH]1	757122881	ZVCXCSZUYLBDGC-UHFFFAOYSA-N	184.548	2.167	50	30	AEGC	
O=C(Cl)N1CCC=C1Cl	39056330	VQLRVUJSLDOJOJ-UHFFFAOYSA-N	166.007	2.131	50	30	AEGC	
BrC[C@H]1CC12CC2	60149803	DKEQLSWFBVKMOB-RXMQYKEDSA-N	161.042	2.181	50	30	AEGC	
CCCOC(=O)O[C@H](C)Cl	34077138	WSMINTWDWKPQQQ-RXMQYKEDSA-N	166.604	2.134	50	30	AEGC	in-vitro
O=Nn1c(CCl)nc2ccccc21	95923091	ZLQZCPQNMFBWNP-UHFFFAOYSA-N	195.609	2.305	50	30	AEGC	
CCc1cccnc1CCl	205937262	VUMHTAHFUOLPNG-UHFFFAOYSA-N	155.628	2.383	50	30	AEGC	
O=P(Cl)(Cl)c1ccccn1	100285721	YECCGFJHJJVZCE-UHFFFAOYSA-N	195.973	2.378	50	30	AEGC	
CC(C)[C@H](C)C(=O)Cl	39245283	MYJXBWNOORYUSN-YFKPBYRVSA-N	134.606	2.044	50	30	AEGC	in-vitro
O=C(F)C1(C(F)(F)F)CCC1	39056275	IPRLZSKXXYOWFV-UHFFFAOYSA-N	170.105	2.215	50	30	AEGC	
C[C@H]1CC[C@H](CBr)OC1	723211680	VGEWYVDHXNRLFR-NKWVEPMBSA-N	193.084	2.196	50	30	AEGC	
CCc1nc(C)c(CCl)o1	238330131	RYMGKQKBACEXPP-UHFFFAOYSA-N	159.616	2.284	50	30	AEGC	
O=C(CCl)CCCCCl	104712230	LIOIEWPUGWMDPT-UHFFFAOYSA-N	169.051	2.203	50	30	AEGC	
C=C(CC)CBr	83821927	GGSSDTPXFJPNNS-UHFFFAOYSA-N	149.031	2.348	50	30	AEGC	in-vitro
C/C=C(\C)C(=O)O[Si](C)(C)C	195782002	GZQWHCAXPCOMTD-VOTSOKGWSA-N	172.300	2.331	50	30	AEGC	
C[C@H]1SCCSS1	2020145	UXPUEXDAOSQIQS-BYPYZUCNSA-N	152.309	2.461	50	30	AEGC	endogenous,in-man
C=C(C=O)[C@H](C)C(C)C	33608599	QUDBAGFQCACQMZ-MRVPVSSYSA-N	126.199	2.034	50	30	AEGC	
CC/C=C/C=C/C=C/C=O	14614380	XHDSWFFUGPJMMN-ARQDATDDSA-N	136.194	2.264	50	30	AEGC	
O=C=Nc1ccc(O)c(Cl)c1	75843837	FKBODYLDYUWOMM-UHFFFAOYSA-N	169.567	2.013	50	30	AEGC	
C[C@H]1SC(C(=O)Cl)S[C@@H]1C	39057065	VYQBFMUHAIBYLF-QWWZWVQMSA-N	196.724	2.335	50	30	AEGC	
CC[C@@H]1[C@H](C)[C@@H]1Br	238297842	ZJCWEOXZHSXNBG-JKUQZMGJSA-N	163.058	2.426	50	30	AEGC	
BrCCCOCC1CC1	34959641	ZCUOQSASUNXEIP-UHFFFAOYSA-N	193.084	2.198	50	30	AEGC	
Cc1cccc(O)c1SC#N	223495085	NQVLHZIZROSYJO-UHFFFAOYSA-N	165.217	2.274	50	30	AEGC	
C=CCCCC(=O)Cl	21997308	PKNLWLCURZNADF-UHFFFAOYSA-N	132.590	2.108	50	30	AEGC	
COC(=O)c1csc(CCl)c1	39341915	NKSDIKYUNDQYSA-UHFFFAOYSA-N	190.651	2.274	50	30	AEGC	in-vitro
CCCC[C@@H]1C[C@@H](Cl)C(=O)O1	33610081	JRJNBIWGQOPZJU-RNFRBKRXSA-N	176.643	2.100	50	30	AEGC	
COCCCCCCl	37393816	WYHRHDHCOCVTDC-UHFFFAOYSA-N	136.622	2.042	50	30	AEGC	in-vitro
CCc1onc(C)c1CCl	669371587	IQCGVQBHGUGNHH-UHFFFAOYSA-N	159.616	2.284	50	30	AEGC	
CCC1=NO[C@@H]([C@@H](C)Cl)C1	68593723	AVNMMECIALSKPZ-IYSWYEEDSA-N	161.632	2.169	50	30	AEGC	in-vitro
Cc1cnc([C@@H](C)Cl)o1	72207579	WUTGCMYSTHBMNH-RXMQYKEDSA-N	145.589	2.283	50	30	AEGC	in-vitro
COC(C)(C)CCBr	96034638	HMCZVEFRWYFZIM-UHFFFAOYSA-N	181.073	2.196	50	30	AEGC	in-vitro
C=CCSCCl	39378744	XAKHMXAZBAGPKG-UHFFFAOYSA-N	122.620	2.102	50	30	AEGC	
N#CC1(CCBr)CCC1	2265385533	HBOLRKSKGBJTQM-UHFFFAOYSA-N	188.068	2.465	50	30	AEGC	
CC1(C)[C@@H]2C=C(C=O)CC[C@@H]21	13383489	RAHRTJHAYXOITA-DTWKUNHWSA-N	150.221	2.178	50	30	AEGC	
Cc1nc(C)c(CCl)o1	35822547	JWBITJVPRLIJJV-UHFFFAOYSA-N	145.589	2.030	50	30	AEGC	
CO[C@@H](CBr)C(C)C	196625228	WSSGWYCRXCOZIA-LURJTMIESA-N	181.073	2.052	50	30	AEGC	
COc1ccc(C(=O)CCl)c(C)c1	71453341	UCWFJHRNUQUMAN-UHFFFAOYSA-N	198.649	2.425	50	30	AEGC	
C[C@@H]1CC[C@H](Cl)C[C@H]1C(=O)O	256081514	RSDARHRNBUATQI-DSYKOEDSSA-N	176.643	2.115	50	30	AEGC	
ClCc1nc(C2CC2)ns1	584882672	WYNHFSGRBIHZCV-UHFFFAOYSA-N	174.656	2.154	50	30	AEGC	
ClCc1cccc2nccn12	34556695	SHXJVXOFKHZTGT-UHFFFAOYSA-N	166.611	2.073	50	30	AEGC	
CC(C)[C@H](Cl)C(=O)CCl	104734017	DRUWDZQGHFIUKC-LURJTMIESA-N	169.051	2.058	50	30	AEGC	
O=C(Cl)c1cc2ccncc2o1	39056586	ZINQFHHEPHQYMP-UHFFFAOYSA-N	181.578	2.207	50	30	AEGC	
N#CC1(CBr)CCCC1	307064063	RBFFITHVQYTUBF-UHFFFAOYSA-N	188.068	2.465	50	30	AEGC	
N#CC1(CBr)CCC1	299805420	NMERHTBBQWPUKW-UHFFFAOYSA-N	174.041	2.075	50	30	AEGC	
CC[C@@H](Cl)COC(=O)Cl	33608170	AJSFSBHXXNBWPV-SCSAIBSYSA-N	171.023	2.379	50	30	AEGC	
CCCC[C@H](Cl)C(=O)OCC	33608625	XNHUSSQEMIESJC-ZETCQYMHSA-N	178.659	2.347	50	30	AEGC	
CC(=O)Nc1ccccc1CCl	34283825	WKVBPRDIWSTGKG-UHFFFAOYSA-N	183.638	2.384	50	30	AEGC	
Cc1cc(C)c(CCl)cn1	95763879	WHMJNCNCWTYNLV-UHFFFAOYSA-N	155.628	2.437	50	30	AEGC	
Cc1nnc([C@@H](C)Cl)s1	84097504	IAQDTIXFTDGNAU-GSVOUGTGSA-N	162.645	2.146	50	30	AEGC	in-vitro
CC[C@H](Cl)COC(=O)Cl	33608172	AJSFSBHXXNBWPV-BYPYZUCNSA-N	171.023	2.379	50	30	AEGC	
Br[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]32	104372879	RDIUINMODIQXGA-IBISWUOJSA-N	173.053	2.036	50	30	AEGC	
CC1(N=C=S)CCC1	228869892	RVKJUDYTCHFOGH-UHFFFAOYSA-N	127.212	2.032	50	30	AEGC	
CCCCOC(=O)[C@@H](Cl)CCl	103839489	RQSDGSZMJSYKBB-LURJTMIESA-N	199.077	2.176	50	30	AEGC	
COC[C@H]1CC[C@@H](Br)C1	86529647	WHKAGFBDXZJERO-NKWVEPMBSA-N	193.084	2.196	50	30	AEGC	
CCCCCCCCCB(O)O	195751658	RHPOAOZKVCLNPE-UHFFFAOYSA-N	172.077	2.210	50	30	AEGC	in-vitro
CO[Si](C)(OC)C(C)(C)C	195816486	NETBVGNWMHLXRP-UHFFFAOYSA-N	162.305	2.151	50	30	AEGC	
CC(C)[C@@H]1CC[C@@H](C)C[C@]1(O)C#N	252438186	ZYUJMAOJFWVJHG-VWYCJHECSA-N	181.279	2.333	50	30	AEGC	
C[C@@H](Cl)C[C@H]1CCOC1	575531938	LKPSOUSQVYHRAX-RNFRBKRXSA-N	148.633	2.040	50	30	AEGC	
COc1cccc(CCN=C=S)c1	11802426	CMWQYXPCVQLBQV-UHFFFAOYSA-N	193.271	2.341	50	30	AEGC	
ClCc1cccn2cncc12	149913965	OYWLHTSJJNUEEM-UHFFFAOYSA-N	166.611	2.073	50	30	AEGC	
C[C@H](CCl)NC(=O)OC(C)(C)C	39091139	GVISABPNOIVVRK-ZCFIWIBFSA-N	193.674	2.138	50	30	AEGC	
O=C=N[C@@H]1CCc2ccccc21	2548067	XUEHOPNFOYAYTA-SNVBAGLBSA-N	159.188	2.010	50	30	AEGC	
F[C@@H](Cl)C(F)(F)OCCl	5131690	FAERCLVMZOAFPK-UWTATZPHSA-N	182.956	2.327	50	30	AEGC	
CC[C@H](C1CC1)N(C)C(=O)Cl	885351972	FSFJFJXOWRKHJA-SSDOTTSWSA-N	175.659	2.466	50	30	AEGC	
COCC(C)(C)CBr	84889578	ZCRTXYSRGBYQMD-UHFFFAOYSA-N	181.073	2.054	50	30	AEGC	in-vitro
Cc1cnc(F)cc1CCl	95761997	VPMYXCJNEPOMAO-UHFFFAOYSA-N	159.591	2.268	50	30	AEGC	
Cn1nc2ccccc2c1CCl	953055881	NZBOSBLRGFDWMY-UHFFFAOYSA-N	180.638	2.312	50	30	AEGC	
OC1(C(Cl)Cl)CCCCC1	104840477	SJEITIGMMFRHGY-UHFFFAOYSA-N	183.078	2.485	50	30	AEGC	
O=C1O[C@@H](c2ccccc2)C[C@H]1Cl	33606241	PPTAMHXAGMBIQQ-RKDXNWHRSA-N	196.633	2.282	50	30	AEGC	
CC/C(C=O)=C\C(C)C	86208472	JBGRAQBQMATPJJ-VMPITWQZSA-N	126.199	2.178	50	30	AEGC	
CC[C@@H](C)CN(C)C(=O)Cl	86889771	OHUJBQLRQYVOCI-ZCFIWIBFSA-N	163.648	2.323	50	30	AEGC	
CO[C@@H]1CCC[C@@H](Br)C1	88107884	SSZDRDDLMFSIGC-RNFRBKRXSA-N	193.084	2.339	50	30	AEGC	
O=C(Cl)Oc1nc2ccccc2[nH]1	45238421	UVHWJDNDJALUNW-UHFFFAOYSA-N	196.593	2.301	50	30	AEGC	
COC(=N)CCCCCl	39259807	CQOIKXAXXKRZRD-UHFFFAOYSA-N	149.621	2.019	50	30	AEGC	
O=C(Cl)[C@@H]1CC[C@H](Cl)C1	39056311	GVWKCFKMWJCOOV-UHNVWZDZSA-N	167.035	2.159	50	30	AEGC	
C[C@@H](Cl)C(=O)OCc1ccccc1	117790503	JZYXQRUIIAOBOQ-MRVPVSSYSA-N	198.649	2.357	50	30	AEGC	
C[C@@H]1CC[C@H](Cl)C1	70651352	XZTDXLYILUJOTB-RITPCOANSA-N	118.607	2.414	50	30	AEGC	in-vitro
CC(C)C=NNC(=O)c1ccccc1	254512192	ISSKOELQNRHIIL-UHFFFAOYSA-N	190.246	2.058	50	30	AEGC	
C[C@H]1CN(C(=O)Cl)C(C)(C)C1	306712544	ZFRJARYBVFTYEI-ZCFIWIBFSA-N	175.659	2.466	50	30	AEGC	
CC(C)c1nsc(CCl)n1	149362714	DRNZTLAPFKRHIN-UHFFFAOYSA-N	176.672	2.400	50	30	AEGC	in-vitro
CCCCn1ccnc1CCl	22861614	FWKKPSPEQYOXQN-UHFFFAOYSA-N	172.659	2.422	50	30	AEGC	
CCC(C)(C)C(=O)CBr	39304910	VMZXUFWPZJJDSF-UHFFFAOYSA-N	193.084	2.387	50	30	AEGC	in-vitro
Br[C@@H]1C2C[C@@H]3C1[C@@H]3C2	104083574	RDIUINMODIQXGA-RHIDBMJOSA-N	173.053	2.036	50	30	AEGC