smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(NNc1ccccc1F)C1CCC1	151488	RIDCSRXDAJIOOZ-UHFFFAOYSA-N	208.236	2.069	50	30	BEGC	
CN1CC(C)(C)C[C@@H]1CBr	1535647246	GVKJZBBYGFLEOO-SSDOTTSWSA-N	206.127	2.112	50	30	BEGC	
Nc1cccc(Cl)c1C(=O)CCl	39055394	UGNTYNKAZIJTBV-UHFFFAOYSA-N	204.056	2.344	50	30	BEGC	
CCOC(=O)[C@@H]1C[C@H]1CCCBr	584612010	YLLMIJRZYQMAPB-HTQZYQBOSA-N	235.121	2.361	50	30	BEGC	
N#Cc1ccccc1CI	82880458	IVAOJCUUEIWNIT-UHFFFAOYSA-N	243.047	2.493	50	30	BEGC	
C[C@H](Br)[C@](C)(Br)C#N	33609068	SBFUFGSTQOIQIN-CRCLSJGQSA-N	240.926	2.447	50	30	BEGC	
N#C/C(=C\c1ccc(O)cc1)C(=O)C1CC1	149907	YWRDEEDYHOIHLV-YRNVUSSQSA-N	213.236	2.278	50	30	BEGC	
CCOC(=O)N/N=C(\C)c1oc(C)cc1C	4389464	LUJMUUORXZVSQW-FMIVXFBMSA-N	224.260	2.367	50	30	BEGC	
O=C1c2ccccc2OCC[C@H]1Br	34172406	JSTNDGPFXJMQPV-MRVPVSSYSA-N	241.084	2.415	50	30	BEGC	
Cc1cccc(NNC(=O)C2CCC2)c1	151819	ACTRZKFUNCFTJE-UHFFFAOYSA-N	204.273	2.238	50	30	BEGC	
COC(=O)c1cc(F)cc(CCl)c1	95764370	CQISVNDACOQIQO-UHFFFAOYSA-N	202.612	2.351	50	30	BEGC	
C/C(CCl)=N\N(C(=O)O)C(C)(C)C	39093389	GGKWPKFIEDAWDY-UXBLZVDNSA-N	206.673	2.380	50	30	BEGC	
COc1ccc(Br)cc1N=C=O	62822196	JETIPBCSRYCACD-UHFFFAOYSA-N	228.045	2.425	50	30	BEGC	
CC(C)(C)OC(=O)NNCc1ccc(C#N)cc1	34435203	POKKJVNZXJKYSS-UHFFFAOYSA-N	247.298	2.088	50	30	BEGC	
CC(=O)c1ccc2c(c1)O[C@]1(C)OO[C@]21C	100097470	VYBFEOATQNOTCW-VXGBXAGGSA-N	220.224	2.175	50	30	BEGC	
CCNC(=O)c1ccc(CBr)cc1	41716974	INBFJVMCUFEUJM-UHFFFAOYSA-N	242.116	2.331	50	30	BEGC	
COc1c(C)nc(CCl)nc1Cl	306442106	KBBSEXILTMLLHX-UHFFFAOYSA-N	207.060	2.186	50	30	BEGC	
O=c1cc(CBr)[nH]c2ccccc12	115365489	PZQDTOBDTDKZEQ-UHFFFAOYSA-N	238.084	2.423	50	30	BEGC	
CCCCCCC(=O)NN=C1CCN(C)CC1	95921890	OMIFQDHKQIUHSX-UHFFFAOYSA-N	239.363	2.155	50	30	BEGC	
O=[N+]([O-])c1cccc(COCCl)c1	4897339	YNEGTYXPKSYRQH-UHFFFAOYSA-N	201.609	2.308	50	30	BEGC	
ICc1ccncc1	12958666	KQLHSXTTZXUVCW-UHFFFAOYSA-N	219.025	2.017	50	30	BEGC	in-vitro
COC(=O)NN=C(C)C=Cc1ccccc1	2265208094	KRXJGXIYKHYTOD-UHFFFAOYSA-N	218.256	2.432	50	30	BEGC	
CCOC(=O)/C(C#N)=C/Nc1cccc(OC)c1	14796374	BNWWHTUGTJFIFN-MDZDMXLPSA-N	246.266	2.078	50	30	BEGC	
CO[Si]1(OC)CCCc2ccccc2O1	196668502	UIMKIFAISLCAGY-UHFFFAOYSA-N	224.332	2.243	50	30	BEGC	
CC(C)(C)OC(=O)N(N)Cc1ccccc1	34482560	XINVEYSHJUWQDS-UHFFFAOYSA-N	222.288	2.297	50	30	BEGC	
OCc1ccc(OCCCBr)cc1	72233037	CPNYAVQLFWCQTD-UHFFFAOYSA-N	245.116	2.343	50	30	BEGC	
N#Cc1ccc2c(c1)C(=O)[C@H](Cl)C=N2	100291482	WXORVPNUHPNRMT-MRVPVSSYSA-N	204.616	2.064	50	30	BEGC	
OC[C@@H](Br)c1ccccc1	32145022	QXOPAHUDEPTDQJ-MRVPVSSYSA-N	201.063	2.115	50	30	BEGC	in-vitro
COC(=O)c1cc(CCl)cc(F)c1F	307391097	VHDRAFFBZAZAIX-UHFFFAOYSA-N	220.602	2.490	50	30	BEGC	
CC(C)COC[C@@H](C)OC(=O)[C@@H](C)Cl	5759380	KBLCCQZNLNBPCW-RKDXNWHRSA-N	222.712	2.218	50	30	BEGC	
COC(=O)c1cc(N=C=O)ccc1Cl	238370241	RDESLMUBJPPMCW-UHFFFAOYSA-N	211.604	2.094	50	30	BEGC	
BrCCN1Cc2ccccc2C1	50911887	NOTJSZOWFJBFBC-UHFFFAOYSA-N	226.117	2.397	50	30	BEGC	in-vitro
COC[C@@]1(CBr)C=CCC1	1554770387	QOKSBTUHQZAKIU-QMMMGPOBSA-N	205.095	2.364	50	30	BEGC	
Cc1ccc(NNC(=O)c2cc(C)on2)c(C)c1	151785	ABRMJCRCCZLEJT-UHFFFAOYSA-N	245.282	2.357	50	30	BEGC	
COC(=O)c1ccc(CCl)c(F)c1	98210078	NOMRXUAGVLETSS-UHFFFAOYSA-N	202.612	2.351	50	30	BEGC	in-vitro
ClCCOCCOCc1ccccc1	8517127	BXLGCMGVRUDKQE-UHFFFAOYSA-N	214.692	2.459	50	30	BEGC	
FC(F)(F)[C@H]1CO[C@@H](CBr)C1	536959321	ZCTAEYBIQOBDOQ-RFZPGFLSSA-N	233.027	2.349	50	30	BEGC	
CP(C)(=O)CI	147345822	MSVQAWTWBISPAE-UHFFFAOYSA-N	217.974	2.002	50	30	BEGC	
CCOC(=O)C(C)(C)CCBr	34315975	RAFZDWOTKJPFNY-UHFFFAOYSA-N	223.110	2.361	50	30	BEGC	
O=C1C[C@@H](CBr)C12CCC2	2265384759	UQLHEVHAEYUUML-LURJTMIESA-N	203.079	2.141	50	30	BEGC	
CCOC(=O)/C(C#N)=C/Nc1cscc1C	82086	KUOYVDJKUHXRRZ-WEVVVXLNSA-N	236.296	2.439	50	30	BEGC	
CC(C)(C)OC(=O)N1CCC[C@H](N=C=S)C1	211188372	IKQQACDYIJWBPQ-VIFPVBQESA-N	242.344	2.489	50	30	BEGC	
Cc1nccnc1[C@H](C)Br	229231417	YIGGCBMLJHRCBB-YFKPBYRVSA-N	201.067	2.241	50	30	BEGC	
COC(=O)/C(C#N)=C/c1ccc(SC)cc1	104967	CVNNHQVJMAWWDQ-JXMROGBWSA-N	233.292	2.488	50	30	BEGC	
BrC[C@@H]1OC[C@@H]2CC[C@H]1C2	2265385771	SFZJDGUXOPWOMO-CSMHCCOUSA-N	205.095	2.196	50	30	BEGC	
COC(=O)[C@H](Br)c1cccc(F)c1	113059840	IKEFKRXVASGVAR-MRVPVSSYSA-N	247.063	2.435	50	30	BEGC	
O=C=N[C@@H](Br)c1ccccc1	138338373	MBFCELOJKCZINL-MRVPVSSYSA-N	212.046	2.416	50	30	BEGC	
FC(F)C1(CBr)CCOCC1	2265381444	CJITVDLHSJRICO-UHFFFAOYSA-N	229.064	2.443	50	30	BEGC	
COc1ccc(CBr)c(C)n1	91301836	LQZYFUDTOPAMPN-UHFFFAOYSA-N	216.078	2.294	50	30	BEGC	
CC(C)(C)OC(=O)N(N)c1cccs1	39214194	AVFSSFGINVYIRK-UHFFFAOYSA-N	214.290	2.363	50	30	BEGC	
COc1cc2c(c(OC)c1OC)CC=C2C#N	34618253	MRWAQXOIIYPBIZ-UHFFFAOYSA-N	231.251	2.175	50	30	BEGC	
CON=CC(C#N)=Cc1ccc(OC)cc1	2265222013	RMMMTHRTXMHGCI-UHFFFAOYSA-N	216.240	2.234	50	30	BEGC	
CC(C)(SSC(C)(C)C(=O)O)C(=O)O	33806127	VZKRQCCMGBRZHG-UHFFFAOYSA-N	238.330	2.094	50	30	BEGC	
N#CC(C#N)=Cc1sccc1C1OCCO1	3149414	QEHDIADPYFINSF-UHFFFAOYSA-N	232.264	2.224	50	30	BEGC	
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)CCl	104847772	HQCFUDZWXVYJEF-SECBINFHSA-N	249.738	2.344	50	30	BEGC	
C[C@H](NNC(=O)OC(C)(C)C)C(C)(C)C	575449245	QLMGIHOBBPJXOJ-QMMMGPOBSA-N	216.325	2.450	50	30	BEGC	in-vitro
CC(C)(C)OC(=O)NCc1ocnc1CCl	958748789	OGGHRTJIZWTOPG-UHFFFAOYSA-N	246.694	2.438	50	30	BEGC	
O=C(O)[C@]1(c2ccccc2)C[C@H]1Br	306970958	ROLRQMRYWTXDCH-SCZZXKLOSA-N	241.084	2.176	50	30	BEGC	
COc1ccc2[nH]cc(C(=O)C(=O)Cl)c2c1	37627659	BXRAIGUKJHRMRI-UHFFFAOYSA-N	237.642	2.125	50	30	BEGC	
C=C[C@@H](CCCCC)[C@@H]1CC(=O)OC1=O	111906773	RYNKSPIWLXKJHG-UWVGGRQHSA-N	210.273	2.459	50	30	BEGC	
O=C(CBr)CC12CC(C1)C2	2265364214	IKLQDAVAUKOSPQ-UHFFFAOYSA-N	203.079	2.141	50	30	BEGC	
O=C(CCl)c1cccc(Cl)c1O	39055389	QPLQGGLQKVIQCX-UHFFFAOYSA-N	205.040	2.467	50	30	BEGC	
COCCOc1ccccc1C(=O)Cl	39055901	AKWZIWVYLAPSDW-UHFFFAOYSA-N	214.648	2.091	50	30	BEGC	
C[C@@H](Br)C(=O)c1ccccc1O	142685377	ZBSMRSZYYWZRIF-ZCFIWIBFSA-N	229.073	2.358	50	30	BEGC	
C[C@@H]1CCCN(CCBr)C1	40989737	LLVBDNHUBAXAEJ-MRVPVSSYSA-N	206.127	2.113	50	30	BEGC	
CC(C)CC[C@@H](Br)C(=O)O	75617129	HZEKQLIVUNAHRJ-ZCFIWIBFSA-N	209.083	2.271	50	30	BEGC	in-vitro
COC(=O)/C=C/c1ccc(OCCCl)cc1	396319513	HRSUSRSBEAWIIJ-QPJJXVBHSA-N	240.686	2.490	50	30	BEGC	
BrCc1csc2cncn12	687231986	MIVJVEFPSMASCK-UHFFFAOYSA-N	217.091	2.291	50	30	BEGC	
Cc1cc(C(=O)NNc2ccc(C)c(C)c2)no1	152119	KZSDKSXIOMQLTI-UHFFFAOYSA-N	245.282	2.357	50	30	BEGC	
C#Cc1ccc(C(=O)CBr)cc1	44564198	IIJJUVGZDAIHOW-UHFFFAOYSA-N	223.069	2.246	50	30	BEGC	
BrC[C@]12C[C@H]1COC21CCC1	950757442	DOUYABSIAFPIHY-JGVFFNPUSA-N	217.106	2.341	50	30	BEGC	
N#Cc1cccc(-c2nnc(CCl)o2)c1	19387779	VXBGMUZLSIALKT-UHFFFAOYSA-N	219.631	2.347	50	30	BEGC	in-vitro
BrCC1([C@H]2CCCO2)CC1	667355181	UPMLQGZPYOPRMS-SSDOTTSWSA-N	205.095	2.341	50	30	BEGC	
C[C@H](Cl)c1nnc(C(F)(F)F)o1	82164396	WSULFVXKZINGRT-REOHCLBHSA-N	200.547	2.388	50	30	BEGC	in-vitro
N#Cc1cccc(CCBr)c1	82955090	JFTLITRZMNKVBD-UHFFFAOYSA-N	210.074	2.496	50	30	BEGC	
C[C@H]1CCCC(=NNC(=O)c2ccncc2)C1	254825911	UYQHHKANUYIZLE-JTQLQIEISA-N	231.299	2.378	50	30	BEGC	
CCOC(=O)N/N=C(\C)c1ccc(C#N)cc1	4389488	ATQGEWOADYLKKL-NTEUORMPSA-N	231.255	2.028	50	30	BEGC	
O=C(NN=C1SCCS1)c1ccccc1	2032461	SMPSKHUQMNCDEB-UHFFFAOYSA-N	238.337	2.167	50	30	BEGC	
Cl[C@H]1CN(Cc2ccccc2)CCO1	35572081	HJKCNNPJIOBXSB-LLVKDONJSA-N	211.692	2.084	50	30	BEGC	
CC(C)C(=O)NNc1cccc(Cl)c1	30610813	UWPXUYRLWHRMLU-UHFFFAOYSA-N	212.680	2.439	50	30	BEGC	
NC1(C(=O)Cl)C[C@@H]2CCCC[C@H]2C1	39059245	QLURTRUSJNDIGX-YUMQZZPRSA-N	201.697	2.050	50	30	BEGC	
C[C@@H](C#N)N(C(=O)CCl)C1CCCCC1	2265360980	LBGUSONZNLQDHN-VIFPVBQESA-N	228.723	2.299	50	30	BEGC	
CCOC(=O)/C(C#N)=C/c1ccc(CC)o1	177634708	FTPXQMZVVXQLNQ-VQHVLOKHSA-N	219.240	2.312	50	30	BEGC	
Br[C@@H]1C2CCC(CC2)C12OCCO2	143000042	NCBIEHUPIATGAB-AMDVSUOASA-N	247.132	2.313	50	30	BEGC	
O=C(Cl)N1CCN(c2ccc(F)cc2)CC1	62466272	PMSDULNPZPXWMJ-UHFFFAOYSA-N	242.681	2.307	50	30	BEGC	
CSc1ccc(C=NC(C#N)=C(N)C#N)cc1	2265272088	XKJSGGYMECUZTM-UHFFFAOYSA-N	242.307	2.045	50	30	BEGC	
CS(=O)(=O)/C(C#N)=C\c1ccc(Cl)s1	4709813	MEGITKOWIKOEQL-DAXSKMNVSA-N	247.728	2.311	50	30	BEGC	
COC(=O)c1ccc(OCCl)cc1	86491151	YGBBVPZZKYTLQP-UHFFFAOYSA-N	200.621	2.048	50	30	BEGC	
CC(C)COC[C@@H](C)OC(=O)[C@H](C)Cl	5759385	KBLCCQZNLNBPCW-BDAKNGLRSA-N	222.712	2.218	50	30	BEGC	
C[C@@H](Cl)C(=O)n1ncc2ccccc21	39055492	KZFQHOHGGJZLKQ-SSDOTTSWSA-N	208.648	2.304	50	30	BEGC	
CC(C)C(=O)NNc1cc(C(F)(F)F)ccn1	78058	OENABAHSAHIRMX-UHFFFAOYSA-N	247.220	2.200	50	30	BEGC	
C/C(=N\NC(N)=O)c1csc2ccccc12	4709367	BDAPYQOFHWPWFF-NTUHNPAUSA-N	233.296	2.294	50	30	BEGC	
COC(=O)c1cc(F)c(F)cc1CCl	306839693	YWUVYHAXIABGFE-UHFFFAOYSA-N	220.602	2.490	50	30	BEGC	
CS(=O)(=O)/C(C#N)=C/c1sccc1Cl	113050	QQUHITGUEPVOKI-GQCTYLIASA-N	247.728	2.311	50	30	BEGC	
C[C@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC1=O	196622443	XDZTVBLUGCFKFW-DTWKUNHWSA-N	229.396	2.143	50	30	BEGC	
COc1ccc2c(c1)O[C@@H](C)C(C#N)=C2	2001341	YXIHLMRVNFJZGC-QMMMGPOBSA-N	201.225	2.383	50	30	BEGC	
COC[C@]1(CBr)C=CCC1	1554770386	QOKSBTUHQZAKIU-MRVPVSSYSA-N	205.095	2.364	50	30	BEGC	
C[C@H](Br)C(=O)c1ccco1	39055340	ZLZJJJKGSBIXNZ-YFKPBYRVSA-N	203.035	2.246	50	30	BEGC	in-vitro
ClCC#Cc1cnn(-c2ccccc2)c1	37470756	NJXXCKTYOFJEGW-UHFFFAOYSA-N	216.671	2.463	50	30	BEGC	
C[C@@H](Br)[C@@](C)(Br)C#N	33609063	SBFUFGSTQOIQIN-UHNVWZDZSA-N	240.926	2.447	50	30	BEGC	
BrCc1nc(-c2ccccc2)n[nH]1	2265384585	WPRGREDLLRNOPC-UHFFFAOYSA-N	238.088	2.367	50	30	BEGC	
O=C/C=C/c1cccc(Br)n1	114689217	SOZQHVLJXXFKTK-DUXPYHPUSA-N	212.046	2.056	50	30	BEGC	
C=C(CBr)C(=O)OC(C)(C)C	113694693	AEZPDFMFNUKVCF-UHFFFAOYSA-N	221.094	2.279	50	30	BEGC	
CC(C)COC[C@H](C)OC(=O)[C@@H](C)Cl	5759401	KBLCCQZNLNBPCW-DTWKUNHWSA-N	222.712	2.218	50	30	BEGC	
CCc1nn(C)c(Cl)c1C(=O)Cl	39057336	FLVUZBIQSGCSPI-UHFFFAOYSA-N	207.060	2.015	50	30	BEGC	
Cc1cccc2ccc3c(c12)C(=O)OC3=O	100082710	NESUCGJMEKIZFB-UHFFFAOYSA-N	212.204	2.459	50	30	BEGC	
O=C(CCl)c1nc(Cl)c(Cl)[nH]1	39055662	GWLOCIWKRGNMRW-UHFFFAOYSA-N	213.451	2.138	50	30	BEGC	
COC(=O)C[C@H]1CC[C@@H](Br)C1	216179881	DNUOGDFFYJRREC-NKWVEPMBSA-N	221.094	2.113	50	30	BEGC	
O=c1oc2cc(Cl)ccc2n1CCl	2007143	DNIHQVLDLSLGQP-UHFFFAOYSA-N	218.039	2.444	50	30	BEGC	
CC1(C)C[C@@]1(Br)C(=O)Cl	39057520	IGSJTKTYFZFEFT-ZCFIWIBFSA-N	211.486	2.315	50	30	BEGC	
FC(F)(Cl)CI	137352133	RHJXZZUNOTUJJW-UHFFFAOYSA-N	226.391	2.253	50	30	BEGC	
CC[C@H](Br)C(=O)CBr	196582238	JZDMIXWJJOMMHB-BYPYZUCNSA-N	243.926	2.124	50	30	BEGC	
CC(C)COC[C@@H](Cl)CN1CCCC1	33506730	HOUFSDUTCAUBHL-NSHDSACASA-N	219.756	2.362	50	30	BEGC	
C[C@@H](Br)[C@](C)(Br)C#N	33609066	SBFUFGSTQOIQIN-RFZPGFLSSA-N	240.926	2.447	50	30	BEGC	
C[C@@H]1CC(C)(C)N1C(=O)C(Cl)Cl	100197142	HBZIOXZTIXRRLU-RXMQYKEDSA-N	210.104	2.190	50	30	BEGC	
O=C(CBr)[C@H]1Cc2ccccc21	87224456	KBVDAYGTADMCGK-VIFPVBQESA-N	225.085	2.290	50	30	BEGC	in-vitro
CC(=O)[C@@H](Br)CCBr	136055923	XYVHYQRCFGWXLF-YFKPBYRVSA-N	243.926	2.124	50	30	BEGC	
CO[C@@H]1CCC[C@H](I)C1	82880234	WEUMHGQYNFXPEA-NKWVEPMBSA-N	240.084	2.379	50	30	BEGC	
COc1ccccc1OCCOCCCl	1841329	ISMZWFQULKRSSN-UHFFFAOYSA-N	230.691	2.329	50	30	BEGC	
CC(=O)c1ccc2c(c1)O[C@]1(C)OO[C@@]21C	100097475	VYBFEOATQNOTCW-NWDGAFQWSA-N	220.224	2.175	50	30	BEGC	
Oc1cccc(-c2nnc(CCl)o2)c1	19256290	XNXVAQQVDSKAEH-UHFFFAOYSA-N	210.620	2.181	50	30	BEGC	
O=C1C[C@@H](c2c(F)cccc2Cl)C(=O)O1	104380407	LIYNHOIQKCPCDQ-YFKPBYRVSA-N	228.606	2.036	50	30	BEGC	in-vitro
N#Cc1ccc([S@@](=O)CCCCl)cc1	2265351278	BFDAZQWCOAHLOJ-AWEZNQCLSA-N	227.716	2.295	50	30	BEGC	
FC1(F)CCN(CCBr)CC1	405071087	WNDLQFLDRVGTKS-UHFFFAOYSA-N	228.080	2.112	50	30	BEGC	
COc1ccc(CBr)cc1C#N	83730090	VRUNGNUGLFXRSB-UHFFFAOYSA-N	226.073	2.462	50	30	BEGC	in-vitro
Cc1cccc2c(C(=O)C(=O)Cl)c[nH]c12	39203747	GKWQILOPRWVNTD-UHFFFAOYSA-N	221.643	2.424	50	30	BEGC	
CCOC(=O)N/N=C(\C)c1ccc(F)cc1F	4389462	RWLVUYKJUNFCEN-VGOFMYFVSA-N	242.225	2.435	50	30	BEGC	
O=C1c2ccccc2OCC[C@@H]1Br	34172407	JSTNDGPFXJMQPV-QMMMGPOBSA-N	241.084	2.415	50	30	BEGC	
COc1ccc(/C(C#N)=C/c2cn[nH]c2)cc1	132777	DUCQBKAYNRBTCM-WUXMJOGZSA-N	225.251	2.482	50	30	BEGC	
CC(C)CC(=O)NN=C1CCN(C(C)C)CC1	95921886	HLNLJKMSLGAQKG-UHFFFAOYSA-N	239.363	2.009	50	30	BEGC	
COc1ccc([N+](=O)[O-])c(CBr)c1	71654903	BXVAGOCCUQNTFR-UHFFFAOYSA-N	246.060	2.498	50	30	BEGC	
Cc1nccn1CCCCBr	36949616	SCJQEQJYCCDPDL-UHFFFAOYSA-N	217.110	2.367	50	30	BEGC	in-vitro
Cc1nnsc1[C@@H](C)Br	39267838	VZGGITJMDGUMAX-GSVOUGTGSA-N	207.096	2.302	50	30	BEGC	
C[C@@H](NNC(=O)OC(C)(C)C)C(C)(C)C	575449244	QLMGIHOBBPJXOJ-MRVPVSSYSA-N	216.325	2.450	50	30	BEGC	in-vitro
O=C1C[C@H](c2c(F)cccc2Cl)C(=O)O1	104380412	LIYNHOIQKCPCDQ-RXMQYKEDSA-N	228.606	2.036	50	30	BEGC	in-vitro
C[C@@H](CCCCN=C=O)C[C@H](C)CN=C=O	111887618	ULJDCHKHOJHGBW-RYUDHWBXSA-N	224.304	2.491	50	30	BEGC	
O=C(CCl)c1ccc(Cl)cc1O	39055388	JZJONDYFQMOULM-UHFFFAOYSA-N	205.040	2.467	50	30	BEGC	
[C-]#[N+][C@@H](C(=O)OC)c1ccccc1Cl	2265384618	BFMCKTVRDFTOAU-SECBINFHSA-N	209.632	2.473	50	30	BEGC	
O=C(CBr)C1Cc2ccccc2C1	34537220	QETZSZNCWLMCSR-UHFFFAOYSA-N	239.112	2.365	50	30	BEGC	
N#C[C@@H](O)c1ccccc1OC(F)(F)F	59261678	XHTRAWISZBOKQO-SSDOTTSWSA-N	217.146	2.142	50	30	BEGC	in-vitro
O=C(F)c1cccc2c1OC(F)(F)O2	39057276	ZWZPONMLVROOLH-UHFFFAOYSA-N	204.103	2.118	50	30	BEGC	
CCn1ncc(Br)c1CCl	300762645	NXCZAKLLCMWGPI-UHFFFAOYSA-N	223.501	2.404	50	30	BEGC	
COC(=O)[C@@H](Cl)c1cc(F)cc(F)c1	234571820	YDSMCJVRECMVIP-QMMMGPOBSA-N	220.602	2.418	50	30	BEGC	
BrCc1cc(C2CC2)no1	69970123	OWWHSXGUYIKDGG-UHFFFAOYSA-N	202.051	2.447	50	30	BEGC	in-vitro
CCCOP(=O)(OOCC)OOCC	145207192	UJSPKFDRLJZOPV-UHFFFAOYSA-N	228.181	2.457	50	30	BEGC	
CC(C)(C)OC(=O)N1CC[C@@H](N=C=S)C1	84238207	BRHYXIAYPHYBDB-MRVPVSSYSA-N	228.317	2.099	50	30	BEGC	
FC(F)(F)c1ccc(CBr)nn1	113606053	QLCCYYUDSRQRFK-UHFFFAOYSA-N	241.010	2.390	50	30	BEGC	
C[Si](C)(C)O[Si](C)(C)CCCO	195869278	XGSXUSCKTLWSLU-UHFFFAOYSA-N	206.434	2.425	50	30	BEGC	
N#Cc1ccc(CC(=O)CBr)cc1	307128485	PBMSCCKUMQEKJD-UHFFFAOYSA-N	238.084	2.065	50	30	BEGC	
Br[C@@H]1CCCc2nccnc21	15042879	STQQSKCWKJEUEH-ZCFIWIBFSA-N	213.078	2.249	50	30	BEGC	
C[C@H](Cl)C(=O)n1ncc2ccccc21	39055491	KZFQHOHGGJZLKQ-ZETCQYMHSA-N	208.648	2.304	50	30	BEGC	
N#Cc1ccc([S@](=O)CCCCl)cc1	2265351279	BFDAZQWCOAHLOJ-CQSZACIVSA-N	227.716	2.295	50	30	BEGC	
Br[C@H]1C2CCC(CC2)C12OCCO2	142999847	NCBIEHUPIATGAB-HACHORDNSA-N	247.132	2.313	50	30	BEGC	
CC(C)(C)OC(=O)N1CC[C@H](N=C=S)C1	84238203	BRHYXIAYPHYBDB-QMMMGPOBSA-N	228.317	2.099	50	30	BEGC	
COCC1(CBr)CC=CC1	575468645	VGLCBKXVWPZMSL-UHFFFAOYSA-N	205.095	2.364	50	30	BEGC	
CN(C)CC#Cc1ccc(C=C(C#N)C#N)cc1	170154	IQLVDCTYYWTGQF-UHFFFAOYSA-N	235.290	2.030	50	30	BEGC	
COc1cc(F)ccc1C(=O)CBr	88190276	QMRYOVQIBAAWDF-UHFFFAOYSA-N	247.063	2.412	50	30	BEGC	
O=C1c2ccccc2C(=O)N1[C@@H](Cl)CCl	6117097	VGBCJXCFTBCISG-MRVPVSSYSA-N	244.077	2.086	50	30	BEGC	in-vitro
NC(=O)[C@@H](Cl)c1cccc(Br)c1	50979135	KTHWSEHUPPUODI-ZETCQYMHSA-N	248.507	2.214	50	30	BEGC	in-vitro
O=C(CBr)[C@@H]1Cc2ccccc21	87224458	KBVDAYGTADMCGK-SECBINFHSA-N	225.085	2.290	50	30	BEGC	in-vitro
N[C@@]1(C(=O)Cl)C[C@@H]2CCCC[C@@H]2C1	306536204	QLURTRUSJNDIGX-DIYOJNKTSA-N	201.697	2.050	50	30	BEGC	
C[C@@H](Cl)CN(CCCl)CCCl	59697622	FRUNNMHCUYUXJY-SSDOTTSWSA-N	218.555	2.393	50	30	BEGC	
CO[P@@](=O)(Cl)OC[C@H]1COC(C)(C)O1	100045594	NEVYLEGGKWSMMH-RCNPXXIZSA-N	244.611	2.148	50	30	BEGC	
C[C@@H](Cl)c1nnc(C(F)(F)F)o1	82164398	WSULFVXKZINGRT-UWTATZPHSA-N	200.547	2.388	50	30	BEGC	in-vitro
N[C@@H]1CCCc2c(C(=O)Cl)cccc21	39057384	MNAURPQDSULDCY-SNVBAGLBSA-N	209.676	2.402	50	30	BEGC	
CC(=O)[C@H](Cl)C(=O)O[C@H](C)c1ccccc1	1843543	VEDDRPPPVHQCQB-KOLCDFICSA-N	240.686	2.487	50	30	BEGC	in-vitro
CCOC(=O)c1ccc(OCCCl)cc1	34067677	TZDFSADZWOUTMD-UHFFFAOYSA-N	228.675	2.481	50	30	BEGC	
CC[C@@H](Br)C(=O)CBr	196582249	JZDMIXWJJOMMHB-SCSAIBSYSA-N	243.926	2.124	50	30	BEGC	
C=C(I)CBr	95775682	DNYSHIRLGOXFQL-UHFFFAOYSA-N	246.873	2.330	50	30	BEGC	
Cc1ccc(C2=CC(=O)/C(=C\C#N)O2)cc1	83317679	VJZSSZZTSZLIMZ-WUXMJOGZSA-N	211.220	2.343	50	30	BEGC	
CCOC(=O)NNc1ccc(C(F)(F)F)cn1	77930	MUPNAWCIDRZNAX-UHFFFAOYSA-N	249.192	2.173	50	30	BEGC	
COc1ccc(Cl)c(N)c1C(=O)CCl	39124028	QKYODYZOZRZJGO-UHFFFAOYSA-N	234.082	2.352	50	30	BEGC	
COc1cc([N+](=O)[O-])ccc1CBr	95755852	AQTWRBIMELKBOF-UHFFFAOYSA-N	246.060	2.498	50	30	BEGC	
BrCCNCc1ccccc1	39216044	JQCIWDPPLPGGMG-UHFFFAOYSA-N	214.106	2.171	50	30	BEGC	in-vitro
CSc1sc(C(=O)NN)c2c1C=CCC2	4351138	JKZGSVSZMWRNFW-UHFFFAOYSA-N	240.353	2.033	50	30	BEGC	
O=C=Nc1sccc1Br	82613980	YVODABAZTQBYTO-UHFFFAOYSA-N	204.048	2.478	50	30	BEGC	
COC(=O)/C(C#N)=C/N1c2ccccc2C[C@@H]1C	31331800	IELMCEIHXZGQBI-LZAIMSLLSA-N	242.278	2.018	50	30	BEGC	
C[C@@H](Br)C(=O)c1cccnc1	39055658	ZRLVFZLAKFFDIX-ZCFIWIBFSA-N	214.062	2.048	50	30	BEGC	
Fc1cc(CBr)cnc1F	238586755	HYJHPAORWXDJKD-UHFFFAOYSA-N	208.005	2.255	50	30	BEGC	
BrC1CC(Br)C1	138882973	KEPQZXFTLUPYKL-UHFFFAOYSA-N	213.900	2.307	50	30	BEGC	
ICCc1cccnc1	82880939	JRMUUDPTFZHBNO-UHFFFAOYSA-N	233.052	2.059	50	30	BEGC	
COC(=O)CCC[C@H](C)Br	59077894	RBPZFOFVKHYUNV-LURJTMIESA-N	209.083	2.113	50	30	BEGC	
Cc1c(Br)c(CCl)nn1C	709810612	QJJCLVQVAKBNOE-UHFFFAOYSA-N	223.501	2.230	50	30	BEGC	
CCc1ccc(C=NNC(=O)OC)s1	255975352	GXCZUEUXGPURBK-UHFFFAOYSA-N	212.274	2.000	50	30	BEGC	
C[C@H](C#N)N(C(=O)CCl)C1CCCCC1	2265360979	LBGUSONZNLQDHN-SECBINFHSA-N	228.723	2.299	50	30	BEGC	
CC(C)NC(=O)Oc1ccc([N+](=O)[O-])cc1	161012	MVAFZDRHWYEEGP-UHFFFAOYSA-N	224.216	2.092	50	30	BEGC	
O=C(CCCCl)c1c(O)cc(O)cc1O	33609135	PNKGFYFCYXMKCN-UHFFFAOYSA-N	230.647	2.005	50	30	BEGC	
O=[N+]([O-])[C@H](Cl)C(Cl)(Cl)Cl	138284637	MLCDVZNERFBEPA-SFOWXEAESA-N	212.847	2.198	50	30	BEGC	
O=C(NC1CC1)c1cccc(CCl)c1	34975414	BFOWVOBDBLDQOK-UHFFFAOYSA-N	209.676	2.318	50	30	BEGC	
CO[C@@H]1CCCC[C@H]1I	1570138	AWPSFXGKLLMWED-RNFRBKRXSA-N	240.084	2.379	50	30	BEGC	
C[C@H](CCCCN=C=O)C[C@@H](C)CN=C=O	111887615	ULJDCHKHOJHGBW-VXGBXAGGSA-N	224.304	2.491	50	30	BEGC	
O=C=NCc1ccc(Br)c(F)c1	238589679	HRWJDUVKBHQYGX-UHFFFAOYSA-N	230.036	2.424	50	30	BEGC	
CC(=O)[C@@H](Cl)C(=O)O[C@H](C)c1ccccc1	1843541	VEDDRPPPVHQCQB-MWLCHTKSSA-N	240.686	2.487	50	30	BEGC	in-vitro
O=C(O)c1cccc(CCl)c1[N+](=O)[O-]	117898264	GWCKRMZILUFTIU-UHFFFAOYSA-N	215.592	2.032	50	30	BEGC	
CO[P@@](=O)(Cl)OC[C@@H]1COC(C)(C)O1	100045595	NEVYLEGGKWSMMH-MDAAJZPYSA-N	244.611	2.148	50	30	BEGC	
O=C=NCc1ccccc1Br	62822202	MXHKYNICVUNVRS-UHFFFAOYSA-N	212.046	2.285	50	30	BEGC	
CCOC(=O)[C@H]1C[C@H]1CCCBr	584612012	YLLMIJRZYQMAPB-SFYZADRCSA-N	235.121	2.361	50	30	BEGC	
Cc1ncsc1-c1nc(CCl)no1	34955996	NYKGFBWDZHIKEH-UHFFFAOYSA-N	215.665	2.240	50	30	BEGC	
COc1cc(OC)c(C(=O)Cl)c(OC)c1	34781168	XVXFMSXONCJZEB-UHFFFAOYSA-N	230.647	2.091	50	30	BEGC	in-vitro
CC(C)(C)[Si](C)(C)OC1(CC=O)COC1	716011488	CMNSPCLDOXXJDV-UHFFFAOYSA-N	230.380	2.366	50	30	BEGC	
CC(C)(C)OC(=O)n1ccc(CCl)n1	238106174	BIAJUYFBRDNTSJ-UHFFFAOYSA-N	216.668	2.405	50	30	BEGC	
COc1ccc(CN(C)C(=O)Cl)cc1	39075834	JNZGYVRWVDGXKR-UHFFFAOYSA-N	213.664	2.486	50	30	BEGC	
COC(=O)[C@H](Cl)c1cccc(OC)c1	50977935	GXCOBYMQMGRMJQ-SECBINFHSA-N	214.648	2.148	50	30	BEGC	
CC1(C)CCO[C@@H]1CI	757216025	FXCKNZVXCRYEBW-ZCFIWIBFSA-N	240.084	2.237	50	30	BEGC	
Cc1noc(-c2ccccc2C(=O)Cl)n1	12370394	REXHKRXCNIEBFX-UHFFFAOYSA-N	222.631	2.424	50	30	BEGC	
C=C(C)CC/C(C)=C\[C@H]1CC(=O)OC1=O	104999852	KSTGEJXIDQMMKZ-MBACFSSFSA-N	208.257	2.379	50	30	BEGC	
FC1(F)C[C@H](Br)C1(F)F	238668148	DLIXZWDERJNLSV-REOHCLBHSA-N	206.964	2.424	50	30	BEGC	
BrC[C@H]1CC[C@@H](C2CC2)O1	307715635	IGQMQDHXHDDNLT-SFYZADRCSA-N	205.095	2.339	50	30	BEGC	
CC(C)[C@@H]1CC[C@H](C)C/C1=N\NC(=O)CC#N	143696	AIFKMVJOMZBXPK-QPYWVZODSA-N	235.331	2.464	50	30	BEGC	
C[C@H](Cl)C(=O)c1ccc(O)c(F)c1	39055309	LDNNDSJVKVOANZ-YFKPBYRVSA-N	202.612	2.341	50	30	BEGC	
FC(F)C(F)(F)COCCBr	20518141	JQDZIQKCZXIGEI-UHFFFAOYSA-N	239.006	2.298	50	30	BEGC	in-vitro
CC(C)(C)OC(=O)[C@@]1(CCCl)CCOC1	685945749	OCDBUDWBAYTMIK-NSHDSACASA-N	234.723	2.364	50	30	BEGC	
O=C(CBr)COc1ccc(F)cc1	407985652	DERJJMAEVQQIGC-UHFFFAOYSA-N	247.063	2.169	50	30	BEGC	
O=C=Nc1ccsc1Br	12370565	YGLBKFFMFXAOHB-UHFFFAOYSA-N	204.048	2.478	50	30	BEGC	
N#C[C@H](O)c1ccccc1OC(F)(F)F	59261681	XHTRAWISZBOKQO-ZETCQYMHSA-N	217.146	2.142	50	30	BEGC	in-vitro
CCOC(=O)/C(C#N)=C/c1ccc(OC)s1	101251	VULMAALANVSURT-SOFGYWHQSA-N	237.280	2.227	50	30	BEGC	
Cc1nc(C)n(CCCCCCl)n1	41062702	JDHGLIZZDVXYQQ-UHFFFAOYSA-N	201.701	2.304	50	30	BEGC	in-vitro
OCCc1ccccc1CBr	39120368	JKJGTOVWPXJAIK-UHFFFAOYSA-N	215.090	2.116	50	30	BEGC	
N#Cc1cccc([N+](=O)[O-])c1CBr	113390645	RVNUJWCXNNNKQW-UHFFFAOYSA-N	241.044	2.361	50	30	BEGC	
C[Si](C)(C)c1occc1C(=O)Cl	198091997	YVARXESAJKBIAI-UHFFFAOYSA-N	202.713	2.204	50	30	BEGC	
CC(C)C(=O)NNc1ccc(C(F)(F)F)cn1	77928	ZNPDRRPVZGSDBD-UHFFFAOYSA-N	247.220	2.200	50	30	BEGC	
C[C@@H](Br)C(Br)=C(O)O	38614801	QKKSKKMOIOGASY-UWTATZPHSA-N	245.898	2.450	50	30	BEGC	
COC(=O)C[C@@H]1CC[C@H](Br)C1	216179796	DNUOGDFFYJRREC-RQJHMYQMSA-N	221.094	2.113	50	30	BEGC	
CC(C)(C)OC(=O)NN=Cc1ccoc1	254572872	WGKOWOFNGIUJBJ-UHFFFAOYSA-N	210.233	2.138	50	30	BEGC	
Cc1cccc(C(=O)CBr)c1O	238501058	DORQZQMOCRELTP-UHFFFAOYSA-N	229.073	2.278	50	30	BEGC	
CN1CC(C)(C)C[C@H]1CBr	1535647247	GVKJZBBYGFLEOO-ZETCQYMHSA-N	206.127	2.112	50	30	BEGC	
CCCCN(CCCC)C[C@H](O)CCl	5513670	FLESNXAGSDQDRA-LLVKDONJSA-N	221.772	2.488	50	30	BEGC	
COC(N)=C(C#N)N=Cc1ccc(Cl)cc1	2265222002	RWPHECCRMKQMFZ-UHFFFAOYSA-N	235.674	2.057	50	30	BEGC	
CC(C)CC[C@H](Br)C(=O)O	75617125	HZEKQLIVUNAHRJ-LURJTMIESA-N	209.083	2.271	50	30	BEGC	in-vitro
Cc1occc1C(=O)NN=Cc1cccs1	252636298	XGQLTVYQXFFVHE-UHFFFAOYSA-N	234.280	2.413	50	30	BEGC	
N#Cc1ccc(-c2nnc(CCl)o2)cc1	22212948	WUDWBGBKZHKMBJ-UHFFFAOYSA-N	219.631	2.347	50	30	BEGC	in-vitro
CC(=O)[C@H](Cl)C(=O)c1cccs1	100196452	KRZVWKHUDOPHIZ-ZETCQYMHSA-N	202.662	2.127	50	30	BEGC	
COC(=O)c1ccc(CCl)cc1OC	66325813	KHXCTBSQONPDBA-UHFFFAOYSA-N	214.648	2.221	50	30	BEGC	
CC(=O)Nc1ccc(F)cc1NC=C(C#N)C#N	150353	XDXZPORQOTYNBS-UHFFFAOYSA-N	244.229	2.127	50	30	BEGC	
COc1ccc2c(c1)O[C@H](C)C(C#N)=C2	2001342	YXIHLMRVNFJZGC-MRVPVSSYSA-N	201.225	2.383	50	30	BEGC	
BrCc1ccccc1-n1nccn1	91691987	HXULVNADRAEHMY-UHFFFAOYSA-N	238.088	2.162	50	30	BEGC	
C[C@H](Cl)CCc1ccc(C(=O)O)nc1	3629575	UMTVPJSYONKRSV-ZETCQYMHSA-N	213.664	2.340	50	30	BEGC	
CC(C)(C)OOC(=O)COc1ccccc1	100484683	CQQQFUYNHQOSRI-UHFFFAOYSA-N	224.256	2.339	50	30	BEGC	
ClCc1nccc(N2CCCCC2)n1	34267456	VYVADFIUIBMSHG-UHFFFAOYSA-N	211.696	2.206	50	30	BEGC	
O=C(CBr)Cc1ccc(F)cc1F	87467348	MFCJMMWQBNHTOL-UHFFFAOYSA-N	249.054	2.471	50	30	BEGC	
ClCCOc1cncc(Br)c1	70043427	ONXVZWFAJXLXHT-UHFFFAOYSA-N	236.496	2.462	50	30	BEGC	
FC(F)(F)COc1ccc(CCl)nn1	40886158	SIBSWRSAPOKHRG-UHFFFAOYSA-N	226.585	2.157	50	30	BEGC	
CC1(C)OO[C@@]1(C)CO[Si](C)(C)C	195794502	NTMFZGNKRDQHGZ-VIFPVBQESA-N	204.342	2.337	50	30	BEGC	
CC1(C)C[C@]1(Br)C(=O)Cl	39057519	IGSJTKTYFZFEFT-LURJTMIESA-N	211.486	2.315	50	30	BEGC	
N#Cc1ccc2c(c1)C(=O)[C@@H](Cl)C=N2	100291484	WXORVPNUHPNRMT-QMMMGPOBSA-N	204.616	2.064	50	30	BEGC	
N[C@H]1CCCc2c(C(=O)Cl)cccc21	39057383	MNAURPQDSULDCY-JTQLQIEISA-N	209.676	2.402	50	30	BEGC	
Cc1ccc(C(=O)OCCCl)cc1[N+](=O)[O-]	6071267	FHTNGTPVGWEJPG-UHFFFAOYSA-N	243.646	2.299	50	30	BEGC	
COc1ccc(CCCl)cc1OC	19788480	VZGITQAWSRBJPP-UHFFFAOYSA-N	200.665	2.485	50	30	BEGC	
COc1ccc(CO[Si](C)(OC)OC)cc1	198026291	AIFQUEQBZCETDH-UHFFFAOYSA-N	242.347	2.073	50	30	BEGC	
COc1ccc(C)nc1CBr	84192592	KEIPEIIYYIDMEF-UHFFFAOYSA-N	216.078	2.294	50	30	BEGC	
CCOC(=O)c1ncc(CCl)s1	83943567	MCTAWJVLEBVJTC-UHFFFAOYSA-N	205.666	2.059	50	30	BEGC	in-vitro
CC(C)COC[C@H](Cl)CN1CCCC1	33506731	HOUFSDUTCAUBHL-LLVKDONJSA-N	219.756	2.362	50	30	BEGC	
C[C@H](F)CCI	238449210	LQAQFPBLJGJZRQ-BYPYZUCNSA-N	202.010	2.170	50	30	BEGC	in-vitro
FC1(F)C[C@@H](Br)C1(F)F	238667405	DLIXZWDERJNLSV-UWTATZPHSA-N	206.964	2.424	50	30	BEGC	
COc1cccc2c1O[C@H](C)C(C#N)=C2	2001796	JYBPKNNXJOMBSR-MRVPVSSYSA-N	201.225	2.383	50	30	BEGC	
Cc1cc(=O)oc2cc(N=C=O)ccc12	96301089	YCEHPUBNERNXNP-UHFFFAOYSA-N	201.181	2.069	50	30	BEGC	in-vitro
O=C=Nc1csc(Br)c1	107466904	LSFGUWGTVWQHCN-UHFFFAOYSA-N	204.048	2.478	50	30	BEGC	
CCNC(=O)/C(C#N)=C/c1ccc(C)cc1	98941	JFTBECFQIHFGFL-XYOKQWHBSA-N	214.268	2.038	50	30	BEGC	
O=C=Nc1cc(Br)cs1	71508805	APVXQTIRRNPDBX-UHFFFAOYSA-N	204.048	2.478	50	30	BEGC	
CC(C)(C#N)CCI	83640471	LIKXSHPIQFURTQ-UHFFFAOYSA-N	223.057	2.361	50	30	BEGC	
CCOC(=O)c1cccc2nc(CCl)cn12	309153527	BAHCBDYQTZEMCM-UHFFFAOYSA-N	238.674	2.250	50	30	BEGC	
O=C(CBr)C1(F)CCCC1	2265385171	LKJZEYLWKMIBSF-UHFFFAOYSA-N	209.058	2.233	50	30	BEGC	
COc1cc(C#N)c(N)cc1OCCCCl	95935065	PKRRYKXWKZGSPF-UHFFFAOYSA-N	240.690	2.157	50	30	BEGC	
CC(C)(C)C=NNC(=O)c1ccccc1	254867504	AMSONEKMVLMUKM-UHFFFAOYSA-N	204.273	2.448	50	30	BEGC	
N#C/C(=C\c1ccc2c(c1)OCO2)C(=O)C1CC1	166003	QTTSZUQOIIZANT-VZUCSPMQSA-N	241.246	2.301	50	30	BEGC	
OCc1cccc(OCCCBr)c1	72232950	WCVHMPFUWWLWLD-UHFFFAOYSA-N	245.116	2.343	50	30	BEGC	
CCCCCCC#Cc1cncc(C(=O)NN)c1	95660915	XYSUXDHBVJYLBD-UHFFFAOYSA-N	245.326	2.007	50	30	BEGC	
O=C(CBr)c1ncccc1Cl	118768100	KYSZDSACCQKXQE-UHFFFAOYSA-N	234.480	2.313	50	30	BEGC	
CCC(=O)O[C@@H](Br)C(C)C	96327230	BGWYAZUHYJKMEJ-SSDOTTSWSA-N	209.083	2.317	50	30	BEGC	
ClCc1nnc2c(Br)cccn12	306636186	AUPZYNVVTBPZMD-UHFFFAOYSA-N	246.495	2.231	50	30	BEGC	
C[C@@H](Br)C(=O)C#C[Si](C)(C)C	705717665	UWPLRNHEWVZRJC-SSDOTTSWSA-N	233.181	2.220	50	30	BEGC	
Cn1c(=O)oc2ccc(CBr)cc21	115366218	LUUQDSOABRXVSD-UHFFFAOYSA-N	242.072	2.026	50	30	BEGC	
CC(C)(C)OC(=O)N(N)C1CCCCC1	34619888	AYPHCQBVZSOTRL-UHFFFAOYSA-N	214.309	2.430	50	30	BEGC	
N#Cc1cccc(NC(=O)C(Cl)Cl)c1	150499	UQWONGVCXNRFCN-UHFFFAOYSA-N	229.066	2.300	50	30	BEGC	
COc1cc(C#N)ccc1OCCCl	36883112	IGNCKOFXAYAKES-UHFFFAOYSA-N	211.648	2.184	50	30	BEGC	in-vitro
C[C@H](CN=C=O)C[C@H](C)CCCCN=C=O	111887619	ULJDCHKHOJHGBW-NEPJUHHUSA-N	224.304	2.491	50	30	BEGC	
CCOC(=O)/C(C#N)=C/Nc1ccccc1	100401153	SSKRAIDJMJSRJD-MDZDMXLPSA-N	216.240	2.069	50	30	BEGC	
Nc1ccc(C(=O)CCl)cc1Cl	39055398	QBUOUCQFPPUXIQ-UHFFFAOYSA-N	204.056	2.344	50	30	BEGC	
O=C(NC=Cc1ccco1)OCCCl	2265233843	FEHWSWIKQJMTRZ-UHFFFAOYSA-N	215.636	2.215	50	30	BEGC	
FC(F)(F)c1nnc(CCCCl)o1	82164011	KLCCNFZHWYCUNE-UHFFFAOYSA-N	214.574	2.260	50	30	BEGC	
C=C(Br)CI	82880657	QFTBPDJMDCDXSK-UHFFFAOYSA-N	246.873	2.330	50	30	BEGC	
CCOC(=O)NNc1ncccc1C(F)(F)F	78065	PQBKBULQKYNRBA-UHFFFAOYSA-N	249.192	2.173	50	30	BEGC	
Cc1ccc2c(c1)nnn2C(=O)C(Cl)Cl	100235349	NOSAYGMBZVSPIQ-UHFFFAOYSA-N	244.081	2.184	50	30	BEGC	
COC(=O)c1cccc(OC(=O)Cl)c1	139378614	ODWYTEUMGMKEDB-UHFFFAOYSA-N	214.604	2.211	50	30	BEGC	
Cc1ccnc(-c2noc(CCl)n2)c1	82643332	LDXGHNGLHCKDPB-UHFFFAOYSA-N	209.636	2.179	50	30	BEGC	
C[C@@H](Cl)C(=O)[C@](C)(Cl)CCl	5751102	KAUWEMQJFDRELR-INEUFUBQSA-N	203.496	2.419	50	30	BEGC	
COC(=O)[C@@H](Br)c1ccsc1	141088717	KRXPIKJMCKLABQ-LURJTMIESA-N	235.102	2.357	50	30	BEGC	in-vitro
COc1ccc(Br)c(N=C=O)c1	19515377	BFLCOJOPDHIETH-UHFFFAOYSA-N	228.045	2.425	50	30	BEGC	
OCc1ccc(F)c(CBr)c1	238726231	MQKWIQOMSYBXKF-UHFFFAOYSA-N	219.053	2.213	50	30	BEGC	
FC(F)C(Br)Br	100082965	NXFKOKIVSXXVIN-UHFFFAOYSA-N	223.842	2.367	50	30	BEGC	
CC(C)(C)OC(=O)CO[Si](C)(C)C	219467866	STRGWMWDBCGFNL-UHFFFAOYSA-N	204.342	2.180	50	30	BEGC	
CC1CCC(NC(=O)NCCCl)CC1	1621582	TVRUQFGPXZSUMS-UHFFFAOYSA-N	218.728	2.103	50	30	BEGC	
CC(C)(C)OC(=O)N1CCC(N=C=S)CC1	95883487	NBTBCHWGKWWZDX-UHFFFAOYSA-N	242.344	2.489	50	30	BEGC	
CC(C)(C)[Si](C)(C)O[C@H]1CCO[C@H]1O	198033007	FTGBNEVOLLUEEN-DTWKUNHWSA-N	218.369	2.116	50	30	BEGC	
O=C(F)C(F)(C(F)(F)F)C(F)(F)F	116655354	BRWSHOSLZPMKII-UHFFFAOYSA-N	216.027	2.315	50	30	BEGC	
CCCN(CC(F)(F)F)C(=O)CCl	37654260	PQKPLTGTODRTKG-UHFFFAOYSA-N	217.618	2.026	50	30	BEGC	
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CNC1=O	195945647	XDZTVBLUGCFKFW-BDAKNGLRSA-N	229.396	2.143	50	30	BEGC	
F[C@H](CBr)C1CCOCC1	259574351	WRLZHOBSOMYXBG-SSDOTTSWSA-N	211.074	2.146	50	30	BEGC	
C[C@@H]1CCCC(=NNC(=O)c2ccncc2)C1	254825912	UYQHHKANUYIZLE-SNVBAGLBSA-N	231.299	2.378	50	30	BEGC	
CN1CCN(c2ccc(N=C=S)cc2)CC1	34133125	DXXKATNBNNUIAW-UHFFFAOYSA-N	233.340	2.173	50	30	BEGC	
COC(=O)c1ccc(CCl)c(OC)c1	34363412	OWYFTHXMARVQFM-UHFFFAOYSA-N	214.648	2.221	50	30	BEGC	
O=C(O)c1cc(F)ccc1CBr	113214437	RPQSSQQOHICSIT-UHFFFAOYSA-N	233.036	2.419	50	30	BEGC	
COCC1(CBr)CC(F)(F)C1	669373026	FHBSJMONHYJCTD-UHFFFAOYSA-N	229.064	2.443	50	30	BEGC	
O=C(CCCl)c1ccc2c(c1)OCCO2	20159561	NLQJAQIXEFYSKJ-UHFFFAOYSA-N	226.659	2.269	50	30	BEGC	in-vitro
CC(C)C1(CI)COC1	217115918	MKRVEJASIOVFGT-UHFFFAOYSA-N	240.084	2.094	50	30	BEGC	
BrCCSC1CCOCC1	62053583	BTMCLPSRHBJUFX-UHFFFAOYSA-N	225.151	2.294	50	30	BEGC	
N#Cc1c(Br)cccc1N=C=O	238066315	FXDSXQZZWNQQNY-UHFFFAOYSA-N	223.029	2.288	50	30	BEGC	
CC1(C)CCO[C@H]1CI	757216020	FXCKNZVXCRYEBW-LURJTMIESA-N	240.084	2.237	50	30	BEGC	
C[C@H](Br)[C@@](C)(Br)C#N	33609065	SBFUFGSTQOIQIN-WHFBIAKZSA-N	240.926	2.447	50	30	BEGC	
C[C@H]1CC(C)(C)N1C(=O)C(Cl)Cl	100197144	HBZIOXZTIXRRLU-YFKPBYRVSA-N	210.104	2.190	50	30	BEGC	
C[C@@H](F)CCI	238381139	LQAQFPBLJGJZRQ-SCSAIBSYSA-N	202.010	2.170	50	30	BEGC	in-vitro
COc1ccc2cc(N=C=O)n(C)c2c1	107144352	KUMDBJHRFMTOHX-UHFFFAOYSA-N	202.213	2.154	50	30	BEGC	
FC(F)(F)[C@@H]1CO[C@H](CBr)C1	536959324	ZCTAEYBIQOBDOQ-WHFBIAKZSA-N	233.027	2.349	50	30	BEGC	
C[Si](C)(OCCCl)OCCCl	195767071	JNMHGVGUMWBNFX-UHFFFAOYSA-N	217.168	2.199	50	30	BEGC	
N#CC(N)=C(C#N)N=Cc1c(F)cccc1Cl	2265272027	HNIDQTXEILTQGU-UHFFFAOYSA-N	248.648	2.115	50	30	BEGC	
CC[C@@]12CC[C@@](C(=O)CBr)(CO1)C2	2265361415	NONDQJFKPAZDEP-UWVGGRQHSA-N	247.132	2.300	50	30	BEGC	
BrCCCCCC1OCCO1	32219545	DYVNUZNBIHDABX-UHFFFAOYSA-N	223.110	2.315	50	30	BEGC	
O=C(O)[C@@]1(c2ccccc2)C[C@@H]1Br	306970959	ROLRQMRYWTXDCH-WCBMZHEXSA-N	241.084	2.176	50	30	BEGC	
CON=CC(C#N)=Cc1ccc(OC)c(OC)c1	2265270053	FTRUASFTLSXRTJ-UHFFFAOYSA-N	246.266	2.243	50	30	BEGC	
CC(C)[C@H]1CC[C@H](C)C/C1=N\NC(=O)CC#N	4323525	AIFKMVJOMZBXPK-MOBAYIMXSA-N	235.331	2.464	50	30	BEGC	
O=[N+]([O-])[C@@H](Cl)C(Cl)(Cl)Cl	138284546	MLCDVZNERFBEPA-PVQJCKRUSA-N	212.847	2.198	50	30	BEGC	
COc1cc(CBr)sn1	307470179	VEWIRUKGFIYCFT-UHFFFAOYSA-N	208.080	2.047	50	30	BEGC	
O=C(Cl)c1cccc2c1SCC2=O	39057493	WICISTCDTAIJRG-UHFFFAOYSA-N	212.657	2.354	50	30	BEGC	
O=Cc1ccc(CI)o1	38634161	BOQNBJCFILUPHH-UHFFFAOYSA-N	236.008	2.027	50	30	BEGC	
C[C@@H](Cl)C(=O)c1ccc(O)c(F)c1	39055310	LDNNDSJVKVOANZ-RXMQYKEDSA-N	202.612	2.341	50	30	BEGC	
O=C(O)[C@@]12CC[C@@H](Br)[C@@H]1CC2	2265385775	SVANOEQWWQJNLR-BBVRLYRLSA-N	219.078	2.025	50	30	BEGC	
CO[C@H]1CCC[C@H](I)C1	82880236	WEUMHGQYNFXPEA-BQBZGAKWSA-N	240.084	2.379	50	30	BEGC	
Fc1cc(CCBr)ccn1	95642665	NFBMHWQTAXDUOL-UHFFFAOYSA-N	204.042	2.158	50	30	BEGC	
CO[P@](=O)(Cl)OC[C@@H]1COC(C)(C)O1	100045598	NEVYLEGGKWSMMH-DXRPGJJCSA-N	244.611	2.148	50	30	BEGC	
CC1(C)CO[C@H](CI)C1	536958367	OCDRHJGUVVVLTR-LURJTMIESA-N	240.084	2.237	50	30	BEGC	in-vitro
C[C@H](Br)C(Br)=C(O)O	38614798	QKKSKKMOIOGASY-REOHCLBHSA-N	245.898	2.450	50	30	BEGC	
N#Cc1cccc(F)c1OCBr	44830746	PBWVXWMARZQOGT-UHFFFAOYSA-N	230.036	2.429	50	30	BEGC	
C[C@H](Br)C(=O)c1cccnc1	39055657	ZRLVFZLAKFFDIX-LURJTMIESA-N	214.062	2.048	50	30	BEGC	
ClCc1ccc(N2CCOCC2)cc1	20435492	VXXBDVPJUQJQIS-UHFFFAOYSA-N	211.692	2.262	50	30	BEGC	
Cc1ccc(NC(=O)CC(=O)CCl)cc1	33605110	NSNSCJAIRFVCBB-UHFFFAOYSA-N	225.675	2.132	50	30	BEGC	
O=c1[nH]c2cc(F)ccc2cc1CCl	11980814	XNEGKNQJIHNAGK-UHFFFAOYSA-N	211.623	2.406	50	30	BEGC	
CO[C@@H]1CCC[C@@H](I)C1	82880237	WEUMHGQYNFXPEA-RNFRBKRXSA-N	240.084	2.379	50	30	BEGC	
FC(F)(F)[C@@H](Br)[C@H]1CCOC1	725268725	AOWRUPULQMDDAI-WHFBIAKZSA-N	233.027	2.349	50	30	BEGC	
CON(C)C(=O)c1cccc(CCl)c1	36825771	SIGRJCOXOPMMLD-UHFFFAOYSA-N	213.664	2.059	50	30	BEGC	
NNC(=O)Nc1ccc(-c2ccccc2)cc1	51040623	FXLQCORQRJCXOK-UHFFFAOYSA-N	227.267	2.349	50	30	BEGC	in-vitro
N#CC(C#N)=Cc1csc([N+](=O)[O-])c1	143160	PLJXAFRBVRKWCV-UHFFFAOYSA-N	205.198	2.087	50	30	BEGC	
CCOC(=O)[C@H](Br)c1cccnc1	147461883	DWCRQBDXYFKAES-MRVPVSSYSA-N	244.088	2.081	50	30	BEGC	
NC(=O)[C@H](Cl)c1cccc(Br)c1	50979138	KTHWSEHUPPUODI-SSDOTTSWSA-N	248.507	2.214	50	30	BEGC	in-vitro
CO[P@](=O)(Cl)OC[C@H]1COC(C)(C)O1	100045596	NEVYLEGGKWSMMH-RWBAJPLHSA-N	244.611	2.148	50	30	BEGC	
N#C/C(N)=C(C#N)\N=C\c1c(F)cccc1Cl	100219792	HNIDQTXEILTQGU-WMQNBNQGSA-N	248.648	2.115	50	30	BEGC	
O=C1O[C@@H](CCl)CN1c1cccc(F)c1	38264107	LQGKTOFWKSAAEK-VIFPVBQESA-N	229.638	2.390	50	30	BEGC	
C[C@H]1C=C(C=O)C(C=O)=C[C@]2(O)CC(C)(C)C[C@H]12	5751815	ABDLNDXNWOFSAT-ZBINZKHDSA-N	248.322	2.054	50	30	BEGC	
Cn1c(CCl)nnc1-c1ccccc1	82164166	YWCNEHHNZOWLTF-UHFFFAOYSA-N	207.664	2.221	50	30	BEGC	in-vitro
CC(C)(C)[Si](C)(C)O[C@H]1CCO[C@@H]1O	198032996	FTGBNEVOLLUEEN-IUCAKERBSA-N	218.369	2.116	50	30	BEGC	
CCOC(=O)CCCCCCCN=C=O	143995980	FJPUMAGPRSTRLK-UHFFFAOYSA-N	213.277	2.226	50	30	BEGC	in-vitro
FC(F)(F)[C@@H]1CO[C@@H](CBr)C1	536959316	ZCTAEYBIQOBDOQ-CRCLSJGQSA-N	233.027	2.349	50	30	BEGC	
COc1ccc(CCBr)nc1	95762393	APSJCDONBCPUSI-UHFFFAOYSA-N	216.078	2.028	50	30	BEGC	
CCc1ccccc1NNC(=O)c1cc(C)on1	148621	KSVPKSLFSHRYCX-UHFFFAOYSA-N	245.282	2.302	50	30	BEGC	
O=C=NCc1cccc(Br)c1	19730731	JKJTXWJMWBLZMM-UHFFFAOYSA-N	212.046	2.285	50	30	BEGC	
CC(C)(C)OC(=O)NC/C=C/CCl	34287873	GNEQBZCNASXUAW-SNAWJCMRSA-N	205.685	2.306	50	30	BEGC	
CCOP(=O)(OCC)OCCCl	39238873	ICRCFQJHNPNPHN-UHFFFAOYSA-N	216.601	2.423	50	30	BEGC	
CC1(C)CO[C@@H](CI)C1	536958370	OCDRHJGUVVVLTR-ZCFIWIBFSA-N	240.084	2.237	50	30	BEGC	in-vitro
COc1cccc(C(=O)Cl)c1CC#N	39057456	BHSHHLCHIJQOIF-UHFFFAOYSA-N	209.632	2.140	50	30	BEGC	
COC(=O)c1cc(C)cc(C(=O)Cl)c1	39057465	RKOZJOONHHVMOF-UHFFFAOYSA-N	212.632	2.161	50	30	BEGC	
O=C(Cl)N1CC=C2CCCC[C@@H]2O1	39057162	IUQGFVJCZPLHAD-QMMMGPOBSA-N	201.653	2.461	50	30	BEGC	
CC(C)(C)CN1CCC[C@@H](Br)C1=O	70061139	KZYZTNDGMIFRKW-MRVPVSSYSA-N	248.164	2.418	50	30	BEGC	in-vitro
CC1(C)[C@H](C#N)[C@H]1C(=O)C(Cl)Cl	100196741	BNNSMALUSUXBBI-UHNVWZDZSA-N	206.072	2.155	50	30	BEGC	
COC(=C(C#N)C#N)c1ccc(OC)cc1	39202592	AGRLVQLFYRSJOL-UHFFFAOYSA-N	214.224	2.100	50	30	BEGC	
Cc1cc(Br)nc(CCl)n1	238474663	KYZUFZRNRTYAQD-UHFFFAOYSA-N	221.485	2.286	50	30	BEGC	
N#CC(C#N)=CNCCc1ccc(Cl)cc1	4300160	BKMIVGBQBRBYTE-UHFFFAOYSA-N	231.686	2.403	50	30	BEGC	
CCc1onc(CBr)c1C	87548139	MYTIFBXDXDDMJB-UHFFFAOYSA-N	204.067	2.440	50	30	BEGC	
COc1ccc2c3c(cccc13)C(=O)OC2=O	100067155	SZWLNOVKOIIIMQ-UHFFFAOYSA-N	228.203	2.159	50	30	BEGC	
N#CC(N)=C(C#N)N=Cc1ccc2ccccc2c1	2265272099	YPUHMTVMJRKLPL-UHFFFAOYSA-N	246.273	2.476	50	30	BEGC	
C[C@@]1(c2ccc(Cl)cc2)CC(=O)OC1=O	59093762	ZYWUQMSYUIXQMI-NSHDSACASA-N	224.643	2.071	50	30	BEGC	
Cn1c(CCl)nnc1-c1cccs1	1536221576	RZTHVKQMLPZEDH-UHFFFAOYSA-N	213.693	2.282	50	30	BEGC	
Fc1cc(CBr)c2c(c1)OCCO2	115315823	HXIZCRLNXPBJBU-UHFFFAOYSA-N	247.063	2.492	50	30	BEGC	
COC(=O)[C@H](Br)c1ccsc1	141088535	KRXPIKJMCKLABQ-ZCFIWIBFSA-N	235.102	2.357	50	30	BEGC	in-vitro
O=C(Cl)N1CC=C2CCCC[C@H]2O1	39057161	IUQGFVJCZPLHAD-MRVPVSSYSA-N	201.653	2.461	50	30	BEGC	
CC(=O)Nc1ccc(C(C)=C(C#N)C#N)cc1	144956	BVPVDRKYBNNRSS-UHFFFAOYSA-N	225.251	2.466	50	30	BEGC	
O=S(=O)(c1ccc(CCl)cc1)C(F)F	71790908	RYKZUMZCNPGQAC-UHFFFAOYSA-N	240.658	2.422	50	30	BEGC	in-vitro
CCCCN(CCCC)C[C@@H](O)CCl	5513682	FLESNXAGSDQDRA-NSHDSACASA-N	221.772	2.488	50	30	BEGC	
Nc1ncc(Br)cc1CCl	95761914	FNIFEOGSSIXAHS-UHFFFAOYSA-N	221.485	2.165	50	30	BEGC	
CC(C)[C@H]1CC[C@@H](C)C/C1=N\NC(=O)CC#N	4323523	AIFKMVJOMZBXPK-JUPAPPBASA-N	235.331	2.464	50	30	BEGC	
C#C[C@H](O)CO[Si](C)(C)C(C)(C)C	196474851	RSIBPEBNXDSOJQ-VIFPVBQESA-N	200.354	2.002	50	30	BEGC	
COc1cc(OC)c(OC)cc1CCl	20077982	HRHHCEKRWHSEJO-UHFFFAOYSA-N	216.664	2.451	50	30	BEGC	
C[C@H](Br)C(=O)c1ccc(O)c(O)c1	221273269	SLYVRWVHPCAWTA-YFKPBYRVSA-N	245.072	2.064	50	30	BEGC	
C=C(C=O)Oc1ccc(NC(=O)CC)cc1	32135070	MWBIKJUXUYDVDV-UHFFFAOYSA-N	219.240	2.127	50	30	BEGC	
COC(=O)NN=C(C)c1ccc(Cl)cc1	254500375	FQXCPYZRIPMNCQ-UHFFFAOYSA-N	226.663	2.420	50	30	BEGC	
FC(F)(F)[C@H](Br)[C@H]1CCOC1	725268722	AOWRUPULQMDDAI-CRCLSJGQSA-N	233.027	2.349	50	30	BEGC	
CN(C)c1ccc(C=C(C#N)C#N)c(F)c1C#N	110846	VYCFRRGRWUPKSO-UHFFFAOYSA-N	240.241	2.194	50	30	BEGC	
C[Si](C)(C)CC(=O)C(=O)O[Si](C)(C)C	195772686	TZIOQNGVGAWBSO-UHFFFAOYSA-N	232.428	2.272	50	30	BEGC	
CC(C)OOP(=O)(CC#N)OOC(C)C	263584138	KWZSWDANYMAKQO-UHFFFAOYSA-N	237.192	2.416	50	30	BEGC	
O=C(Cl)CCSCCC(=O)Cl	100070517	AFTXVIIXNFSATO-UHFFFAOYSA-N	215.101	2.031	50	30	BEGC	
FC(F)(F)[C@H]1CO[C@H](CBr)C1	536959322	ZCTAEYBIQOBDOQ-UHNVWZDZSA-N	233.027	2.349	50	30	BEGC	
C[C@@H](Br)C(=O)c1ccc(O)c(O)c1	221273329	SLYVRWVHPCAWTA-RXMQYKEDSA-N	245.072	2.064	50	30	BEGC	
CCc1c(-c2ccccc2)coc1C(=O)NN	39102970	PGKIOBFPSDGNSN-UHFFFAOYSA-N	230.267	2.113	50	30	BEGC	
O=C(Cl)N1CCc2sccc2C1	86889703	UTDHMKWKFDMNKH-UHFFFAOYSA-N	201.678	2.465	50	30	BEGC	
Cc1ncsc1CCBr	3633744	ZHDOTQJFFNDJLQ-UHFFFAOYSA-N	206.108	2.389	50	30	BEGC	
BrC[C@H]1CCC2(CCOCC2)CO1	616582275	KTUBERSNDRWIER-SECBINFHSA-N	249.148	2.357	50	30	BEGC	
Br[C@@H]1CC[C@H]1Br	117639892	LGAGUISFTUGUHO-QWWZWVQMSA-N	213.900	2.307	50	30	BEGC	
Cc1ccc([Si](C)(C)CBr)o1	223764688	QPZHHSBTMKSCMC-UHFFFAOYSA-N	233.181	2.438	50	30	BEGC	
Cc1oc2nc(CCl)nc(N)c2c1C	12505993	RQUUBPZEGDZSNS-UHFFFAOYSA-N	211.652	2.161	50	30	BEGC	in-vitro
O=C(O)[C@]12CCCC[C@H]1[C@@H]2Br	714395509	CCLYQHANYNSLAN-VMHSAVOQSA-N	219.078	2.025	50	30	BEGC	
COc1ccc2[nH]c(CCCCl)nc2n1	83852340	YTUMKQPXTDAHDN-UHFFFAOYSA-N	225.679	2.138	50	30	BEGC	in-vitro
CC(C)(OC(=O)CCl)C(=O)c1ccccc1	1504000186	HMQMIJOLDWWKBY-UHFFFAOYSA-N	240.686	2.430	50	30	BEGC	
O=C(CBr)CC[C@H]1CCCCO1	87224493	NHBRYHSJEUUFLN-SECBINFHSA-N	235.121	2.300	50	30	BEGC	
C[C@@H](Br)Cc1ccncc1	63044367	RXDFRVFODJDEBA-SSDOTTSWSA-N	200.079	2.408	50	30	BEGC	
CC(=O)[C@@H](Cl)C(=O)c1cccs1	100196458	KRZVWKHUDOPHIZ-SSDOTTSWSA-N	202.662	2.127	50	30	BEGC	
N#Cc1ccc(C(=O)CBr)c(F)c1	238579031	HRIQRWJMECDPNM-UHFFFAOYSA-N	242.047	2.275	50	30	BEGC	
CCCC(=N)NNC(=O)c1ccccc1OCC	6777853	CIAXQTAYCGXLSX-UHFFFAOYSA-N	249.314	2.097	50	30	BEGC	
ICc1ccco1	33369622	LEAZPPLSYMBCRF-UHFFFAOYSA-N	207.998	2.215	50	30	BEGC	
Cc1cc2c(cc1C(C)C)C(=O)OC2=O	111894780	HARMCMJYOSSBBK-UHFFFAOYSA-N	204.225	2.429	50	30	BEGC	
CC(=O)[C@H](Cl)C(=O)O[C@@H](C)c1ccccc1	1843542	VEDDRPPPVHQCQB-ONGXEEELSA-N	240.686	2.487	50	30	BEGC	in-vitro
N#CC(C#N)=C1C=C(O)c2cscc21	2265385757	POOLMDJXBCIZGV-UHFFFAOYSA-N	200.222	2.461	50	30	BEGC	
COC(=O)CCC[C@@H](C)Br	59077895	RBPZFOFVKHYUNV-ZCFIWIBFSA-N	209.083	2.113	50	30	BEGC	
Cc1nc(F)ccc1CBr	238539295	XVDULSCMFBGSOK-UHFFFAOYSA-N	204.042	2.424	50	30	BEGC	
N#CC(O)(c1ccccc1)c1ccccc1	107271822	LKDQZKOTSCOPIZ-UHFFFAOYSA-N	209.248	2.446	50	30	BEGC	
COc1cccc(C(=O)CCl)c1OC	39055624	SAGJHMNXUHEXEM-UHFFFAOYSA-N	214.648	2.125	50	30	BEGC	
Cc1cncc(-c2nc(CCl)no2)c1	83892421	RTXFIZHCCUCXHN-UHFFFAOYSA-N	209.636	2.179	50	30	BEGC	in-vitro
CC1CCN(CCBr)CC1	40989619	QAXBPSGVWYTKEV-UHFFFAOYSA-N	206.127	2.113	50	30	BEGC	in-vitro
COC(=O)[C@@H](Cl)c1cccc(OC)c1	50977932	GXCOBYMQMGRMJQ-VIFPVBQESA-N	214.648	2.148	50	30	BEGC	
N#CSCC(=O)c1ccc(F)cc1F	2507531	IQZRYGYJNUIJFN-UHFFFAOYSA-N	213.208	2.362	50	30	BEGC	
O=C(CCl)N1CCC2=C(CCCC2)C1	39055623	ZZHPFMBWLWMMJS-UHFFFAOYSA-N	213.708	2.328	50	30	BEGC	
C#Cc1cccc(NC(=O)C(Cl)Cl)c1	140241	LAGAAAJXCBASOQ-UHFFFAOYSA-N	228.078	2.410	50	30	BEGC	
CC(C)[C@@H]1CC[C@@H](C)C/C1=N\NC(=O)CC#N	4323526	AIFKMVJOMZBXPK-KSWSDUOESA-N	235.331	2.464	50	30	BEGC	
COC(=C(C#N)C#N)c1cccc(OC)c1	146587919	ZUXFYWAOCRQDET-UHFFFAOYSA-N	214.224	2.100	50	30	BEGC	
COC(=O)c1cc(OC)c(C)c(CCl)c1O	2265356032	OHQWEBKRZNAGGR-UHFFFAOYSA-N	244.674	2.235	50	30	BEGC	
FC(F)(F)[C@H](Br)[C@@H]1CCOC1	725268723	AOWRUPULQMDDAI-RFZPGFLSSA-N	233.027	2.349	50	30	BEGC	
COCc1cccc(C(=O)Cl)c1OC	39055885	YNOOKZNZFSBIHN-UHFFFAOYSA-N	214.648	2.221	50	30	BEGC	
COC(=O)C1(CBr)CCCC1	238854542	OIBDMAZNGWLXFZ-UHFFFAOYSA-N	221.094	2.115	50	30	BEGC	in-vitro
C[C@H]1CCCN(CCBr)C1	40989740	LLVBDNHUBAXAEJ-QMMMGPOBSA-N	206.127	2.113	50	30	BEGC	
FC1(F)C[C@@H]1CI	116369773	ADDHPHYBOVMYIR-GSVOUGTGSA-N	217.984	2.077	50	30	BEGC	
COC/C(C#N)=C\c1ccc(OC)c(OC)c1	38611101	ITWADOIIIDKDET-WDZFZDKYSA-N	233.267	2.257	50	30	BEGC	
BrCc1n[nH]c2ccccc12	59585124	AKKBCQWFKVKWIB-UHFFFAOYSA-N	211.062	2.458	50	30	BEGC	
CCOc1ccc(N=C=O)cc1OCC	19428129	UEXJDTGYMOIWDC-UHFFFAOYSA-N	207.229	2.451	50	30	BEGC	
C[C@H]1Oc2ccccc2N(CCCl)C1=O	36928446	BGUJXTNPNHMXOY-MRVPVSSYSA-N	225.675	2.039	50	30	BEGC	in-vitro
CC(C)(C)OC(=O)[C@]1(CCCl)CCOC1	685945748	OCDBUDWBAYTMIK-LLVKDONJSA-N	234.723	2.364	50	30	BEGC	
O=C1OC[C@@H](Br)c2ccccc21	644165909	MPRUMZJTNKYLMP-MRVPVSSYSA-N	227.057	2.293	50	30	BEGC	
BrCC1([C@@H]2CCCO2)CC1	667355182	UPMLQGZPYOPRMS-ZETCQYMHSA-N	205.095	2.341	50	30	BEGC	
Cc1cc(NC(=O)NNc2ccccc2)no1	118857	QIIUJQGKMPJHMZ-UHFFFAOYSA-N	232.243	2.132	50	30	BEGC	
Cl[C@@H]1CN(Cc2ccccc2)CCO1	35572079	HJKCNNPJIOBXSB-NSHDSACASA-N	211.692	2.084	50	30	BEGC	
FC1(F)C[C@H]1CI	116369776	ADDHPHYBOVMYIR-VKHMYHEASA-N	217.984	2.077	50	30	BEGC	
COCCSCCCBr	35321629	QGEBWEYNRSFWNZ-UHFFFAOYSA-N	213.140	2.151	50	30	BEGC	in-vitro
COC(=S)SSC(=S)OC	2039540	FVCPXLWAKNJIKK-UHFFFAOYSA-N	214.358	2.230	50	30	BEGC	in-vitro
O=C(Cl)C(=O)c1sccc1Cl	39055519	HDZVJMMHZGQBKW-UHFFFAOYSA-N	209.053	2.350	50	30	BEGC	
CN(C(=O)C(Cl)Cl)[C@@H]1C[C@H]2C=C[C@H]1C2	100239642	MNFCRBQNMFDHJA-BIIVOSGPSA-N	234.126	2.213	50	30	BEGC	
BrC[C@@H]1CC[C@H](C2CC2)O1	307715633	IGQMQDHXHDDNLT-JGVFFNPUSA-N	205.095	2.339	50	30	BEGC	
FC(F)(F)[C@@H](Br)[C@@H]1CCOC1	725268724	AOWRUPULQMDDAI-UHNVWZDZSA-N	233.027	2.349	50	30	BEGC	
FC(F)(F)c1nnc(CCl)s1	95762271	ITNASIFWWJRCED-UHFFFAOYSA-N	202.588	2.296	50	30	BEGC	in-vitro
O=C(O)c1ccc(CCCCCl)cn1	3643788	FTOROJYDIDEAIN-UHFFFAOYSA-N	213.664	2.341	50	30	BEGC	
Oc1cc(F)cc(CBr)c1	238697977	WTTRRPOWKYXQJB-UHFFFAOYSA-N	205.026	2.426	50	30	BEGC	
COc1cccc(C#CCBr)c1	95632562	HFFALYRTEZBHJI-UHFFFAOYSA-N	225.085	2.442	50	30	BEGC	
O=C(Cl)CN1[C@H]2CC[C@H]1CC1(CC1)C2	521401162	UWGHGKWCMVKGNI-IUCAKERBSA-N	213.708	2.159	50	30	BEGC	
COc1ccc(C(=O)Cl)cc1C(=O)Cl	100410061	FKPCRVTXBLUQBV-UHFFFAOYSA-N	233.050	2.453	50	30	BEGC	
C[Si](C)(C)O[S@](=O)C(F)(F)F	223523502	MTQMDSSUZGAUMJ-JTQLQIEISA-N	206.261	2.021	50	30	BEGC	
CCCCCCOC(=O)CSC#N	2019749	USSDLSWIXCOFDV-UHFFFAOYSA-N	201.291	2.324	50	30	BEGC	
O=C(CCl)Nc1ccc(C(=O)O)cc1Cl	40435312	RQXWPKKMPJTMCL-UHFFFAOYSA-N	248.065	2.216	50	30	BEGC	
COc1cc2nc(CCl)[nH]c2cc1OC	42173235	YLDQQGOPVWCPIW-UHFFFAOYSA-N	226.663	2.319	50	30	BEGC	
Cn1cc(CCl)c2ccccc2c1=O	238503596	DDKLMXRUOZWVEQ-UHFFFAOYSA-N	207.660	2.277	50	30	BEGC	
C[C@@H](Cl)c1nnnn1C1CCCCC1	96034642	ZUQLJHYIBQAAOU-SSDOTTSWSA-N	214.700	2.478	50	30	BEGC	in-vitro
COC(=O)C[C@@H]1CC[C@@H](Br)C1	216179837	DNUOGDFFYJRREC-RNFRBKRXSA-N	221.094	2.113	50	30	BEGC	
C[Si](C)(C)O[S@@](=O)C(F)(F)F	223523455	MTQMDSSUZGAUMJ-SNVBAGLBSA-N	206.261	2.021	50	30	BEGC	
BrC[C@@H]1CCC2(CCOCC2)CO1	616582284	KTUBERSNDRWIER-VIFPVBQESA-N	249.148	2.357	50	30	BEGC	
CC(C)C(=O)NNc1ncccc1C(F)(F)F	78002	PKAGJFPYIXGMOI-UHFFFAOYSA-N	247.220	2.200	50	30	BEGC	
C[C@H](O[Si](C)(C)C(C)(C)C)[C@@H]1CNC1=O	196622434	XDZTVBLUGCFKFW-IUCAKERBSA-N	229.396	2.143	50	30	BEGC	
C[Si]1(C)CC(C(=O)O)C[Si](C)(C)O1	196687479	GNDBLSSPCMPMOR-UHFFFAOYSA-N	218.401	2.128	50	30	BEGC	
CN(N=O)C(=O)Nc1nc2ccccc2s1	5957118	WLIJZJZXWRTQIH-UHFFFAOYSA-N	236.256	2.441	50	30	BEGC	
O=C=NCc1ccc(Br)s1	70600886	XAPUUUIMOKKFOI-UHFFFAOYSA-N	218.075	2.346	50	30	BEGC	
CCOC(=O)[C@@H]1C[C@@H]1CCCBr	584612011	YLLMIJRZYQMAPB-JGVFFNPUSA-N	235.121	2.361	50	30	BEGC	
CC(C)(C)OC(=O)NO[Si](C)(C)C	196298954	ZCVCDXMYYQUTPG-UHFFFAOYSA-N	205.330	2.278	50	30	BEGC	
COc1ccccc1NC(=S)NCCCl	243098070	JALGVKAKSPBAFY-UHFFFAOYSA-N	244.747	2.220	50	30	BEGC	
CN(C(=O)C(Cl)Cl)[C@H]1C[C@H]2C=C[C@H]1C2	100239643	MNFCRBQNMFDHJA-FXQIFTODSA-N	234.126	2.213	50	30	BEGC	
C[C@H](Br)C(=O)C#C[Si](C)(C)C	705717667	UWPLRNHEWVZRJC-ZETCQYMHSA-N	233.181	2.220	50	30	BEGC	
COCCCN(C(=O)CCl)c1ccccc1	1852406	RXSZLDMYFUBDCC-UHFFFAOYSA-N	241.718	2.295	50	30	BEGC	
Cc1cc(SCC(=O)NN)c(C)cc1Cl	80876	RSZIILIJXRBNNG-UHFFFAOYSA-N	244.747	2.039	50	30	BEGC	
CCOC(=O)N/N=C1\CCCc2ccccc21	4389455	DXBJCMVZUMFOOT-WYMLVPIESA-N	232.283	2.473	50	30	BEGC	
Cc1ccc(NNC(=O)c2ccno2)cc1C	152124	GKVPEOCSGKCLDC-UHFFFAOYSA-N	231.255	2.048	50	30	BEGC	
ClCc1ccccc1CN1CCOCC1	45205624	ATNXOBPRQIUNCQ-UHFFFAOYSA-N	225.719	2.258	50	30	BEGC	
COC(=O)[C@@H](Br)c1cccc(F)c1	113059836	IKEFKRXVASGVAR-QMMMGPOBSA-N	247.063	2.435	50	30	BEGC	
CN(CCCl)Cc1ccc(F)cc1	42437088	YYHYGJBCOLTGMT-UHFFFAOYSA-N	201.672	2.496	50	30	BEGC	in-vitro
CCNC(=O)NNc1c(Cl)cncc1Cl	75936	FUUAPXCZBAHIHJ-UHFFFAOYSA-N	249.101	2.034	50	30	BEGC	
C[C@H](Br)Cc1ccncc1	63044366	RXDFRVFODJDEBA-ZETCQYMHSA-N	200.079	2.408	50	30	BEGC	
OC[C@@H](Cl)CC(Cl)(Cl)Cl	2027303	PHPDBVLDVIRSHU-VKHMYHEASA-N	211.903	2.346	50	30	BEGC	
CN(C)/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	33381038	WVSMGGAWGSSPNK-CMDGGOBGSA-N	249.701	2.248	50	30	BEGC	
Fc1nc(CCl)ncc1Br	575491285	GTSLRTUENDHWSL-UHFFFAOYSA-N	225.448	2.117	50	30	BEGC	
C[C@@H](CCCCN=C=O)C[C@@H](C)CN=C=O	111887612	ULJDCHKHOJHGBW-NWDGAFQWSA-N	224.304	2.491	50	30	BEGC	
NC1(C(=O)Cl)C[C@H]2CCCC[C@@H]2C1	39059246	QLURTRUSJNDIGX-HTQZYQBOSA-N	201.697	2.050	50	30	BEGC	
Cn1nc(-c2ccccc2)nc1CCl	196661119	ULWGBSWRGPGVFF-UHFFFAOYSA-N	207.664	2.221	50	30	BEGC	
CC(=O)Oc1cccc(C)c1C(=O)Cl	39057496	NJXKUNMWJPTXBW-UHFFFAOYSA-N	212.632	2.299	50	30	BEGC	
BrCc1cccn2nccc12	723591631	QJFMURNHQINWEU-UHFFFAOYSA-N	211.062	2.229	50	30	BEGC	
C[C@@H]1Oc2ccccc2N(CCCl)C1=O	36928447	BGUJXTNPNHMXOY-QMMMGPOBSA-N	225.675	2.039	50	30	BEGC	in-vitro
COC(=O)[C@]12CCCC[C@H]1[C@@H]2Br	714504895	GYRZVPNVHCGECT-ACLDMZEESA-N	233.105	2.113	50	30	BEGC	
C[C@H](Cl)C(=O)[C@](C)(Cl)CCl	5734696	KAUWEMQJFDRELR-UJURSFKZSA-N	203.496	2.419	50	30	BEGC	
Cc1ccc(CCBr)cn1	62950570	CQDJTHLAWUGLOV-UHFFFAOYSA-N	200.079	2.327	50	30	BEGC	
COc1cc(Br)ccc1N=C=O	116932243	CZROQKQQUSZUIZ-UHFFFAOYSA-N	228.045	2.425	50	30	BEGC	
Cn1nc(CCl)nc1-c1ccccc1	143778316	SLIGEWCYQBLSRQ-UHFFFAOYSA-N	207.664	2.221	50	30	BEGC	
O=C(Cl)Oc1cccc([N+](=O)[O-])c1	34484822	JAYFJCQVACHCGU-UHFFFAOYSA-N	201.565	2.332	50	30	BEGC	
COC(=O)CCC1CC(Br)C1	1535543841	WGNJICIEMNWYEF-UHFFFAOYSA-N	221.094	2.113	50	30	BEGC	
N#CCC1(CI)CC1	83855579	QSEOCLLGMUKEBO-UHFFFAOYSA-N	221.041	2.115	50	30	BEGC	
C=C[C@H](CCCCC)[C@@H]1CC(=O)OC1=O	111906771	RYNKSPIWLXKJHG-ZJUUUORDSA-N	210.273	2.459	50	30	BEGC	
O=C(O)[C@]1(c2ccccc2)C[C@@H]1Br	306970960	ROLRQMRYWTXDCH-WPRPVWTQSA-N	241.084	2.176	50	30	BEGC	
O=NN(CCCl)C(=O)N[C@@H]1C[C@H]2CC[C@H]1C2	105119445	VGFFLHYAQABHTR-XHNCKOQMSA-N	245.710	2.107	50	30	BEGC	
CCOC(=O)N/N=C/c1ccc(OCC)cc1	171979	LMKVGDOTFBMIBV-UKTHLTGXSA-N	236.271	2.165	50	30	BEGC	
CC1(C)CC(C(=O)CBr)C1	575576812	ODBPZPYKPXHNJF-UHFFFAOYSA-N	205.095	2.387	50	30	BEGC	
O=C/C=C(\Cl)c1ccccc1[N+](=O)[O-]	6095109	IGKCDUQXBMHKHG-YVMONPNESA-N	211.604	2.373	50	30	BEGC	
CC(C)(C)OC(=O)N1CCC[C@@H](N=C=S)C1	211188425	IKQQACDYIJWBPQ-SECBINFHSA-N	242.344	2.489	50	30	BEGC	
COc1cccc2c1O[C@@H](C)C(C#N)=C2	2001795	JYBPKNNXJOMBSR-QMMMGPOBSA-N	201.225	2.383	50	30	BEGC	
O=C(Cl)c1occc1Br	26340353	WTZDPJVRZQGTET-UHFFFAOYSA-N	209.426	2.421	50	30	BEGC	in-vitro
ClCc1nccc(-c2cccnc2)n1	91362250	IMKLIVSZJRMXCR-UHFFFAOYSA-N	205.648	2.277	50	30	BEGC	
CCSC(=O)OCI	116385404	LXZAPTGWIXFPEX-UHFFFAOYSA-N	246.069	2.269	50	30	BEGC	
CC(C)(C)[Si](C)(C)OCC1CNC1	328579553	OTQLOBVJJPWUNE-UHFFFAOYSA-N	201.386	2.228	50	30	BEGC	
C[C@]1(c2ccc(Cl)cc2)CC(=O)OC1=O	59093759	ZYWUQMSYUIXQMI-LLVKDONJSA-N	224.643	2.071	50	30	BEGC	
COC(=O)c1ccsc1CBr	39150832	NLVXMLSUIYSGDS-UHFFFAOYSA-N	235.102	2.430	50	30	BEGC	
CO[C@H]1CCC[C@@H](I)C1	82880238	WEUMHGQYNFXPEA-RQJHMYQMSA-N	240.084	2.379	50	30	BEGC	
COc1ccc2c(c1)C[C@@H](CBr)O2	5733882	OJTFMQIEFYRCRZ-VIFPVBQESA-N	243.100	2.394	50	30	BEGC	
OC[C@H](Br)c1ccccc1	32145026	QXOPAHUDEPTDQJ-QMMMGPOBSA-N	201.063	2.115	50	30	BEGC	in-vitro
CC(C)(C)[Si](C)(C)O[C@H]1CCN(O)[C@@H]1C#N	575441109	ZDSPSPXJBQUEMU-ZJUUUORDSA-N	242.395	2.364	50	30	BEGC	
C[C@H](Cl)CN(CCCl)CCCl	59697621	FRUNNMHCUYUXJY-ZETCQYMHSA-N	218.555	2.393	50	30	BEGC	
CC1(C)OO[C@]1(C)CO[Si](C)(C)C	195794500	NTMFZGNKRDQHGZ-SECBINFHSA-N	204.342	2.337	50	30	BEGC	
O=C(O)c1ccc(CCl)c([N+](=O)[O-])c1	118565413	OOCUPQDMNUETMI-UHFFFAOYSA-N	215.592	2.032	50	30	BEGC	biogenic
O=C=NCCc1ccc(OC(F)(F)F)cc1	220563595	YUFZPBBBYFOWJK-UHFFFAOYSA-N	231.173	2.464	50	30	BEGC	in-vitro
N#CC(C(=O)C1CC1)=C1SCCS1	94775	MIGKQRUZCIGCKO-UHFFFAOYSA-N	211.311	2.181	50	30	BEGC	
CC(=O)c1ccc2c(c1)O[C@@]1(C)OO[C@@]21C	100097472	VYBFEOATQNOTCW-RYUDHWBXSA-N	220.224	2.175	50	30	BEGC	
CC1(C)COC(CCl)(CCl)OC1	59282051	VYJDZYMLEBCDAY-UHFFFAOYSA-N	213.104	2.233	50	30	BEGC	
Cc1nnsc1[C@H](C)Br	39267839	VZGGITJMDGUMAX-VKHMYHEASA-N	207.096	2.302	50	30	BEGC	
COc1ccc2c(c1)C[C@H](CBr)O2	5733874	OJTFMQIEFYRCRZ-SECBINFHSA-N	243.100	2.394	50	30	BEGC	
Cn1cc(CBr)c(C(F)F)n1	95883581	CHYFCXVZKDSFGB-UHFFFAOYSA-N	225.036	2.253	50	30	BEGC	in-vitro
O=C=Nc1ccc(Br)s1	19432378	FQQKFLOQZBJWAQ-UHFFFAOYSA-N	204.048	2.478	50	30	BEGC	in-vitro
Nc1ccccc1CCBr	59425708	KGWAGLYFWDNHFH-UHFFFAOYSA-N	200.079	2.206	50	30	BEGC	
CC(=O)c1ccc2c(c1)O[C@@]1(C)OO[C@]21C	100097468	VYBFEOATQNOTCW-NEPJUHHUSA-N	220.224	2.175	50	30	BEGC	
CCOC(=O)[C@@H](Br)c1cccnc1	147461652	DWCRQBDXYFKAES-QMMMGPOBSA-N	244.088	2.081	50	30	BEGC	
BrC[C@H]1CCC2(CCOCC2)O1	306679420	HPWPCXCSMIAIGF-MRVPVSSYSA-N	235.121	2.110	50	30	BEGC	
O=C(NNc1ccc(F)cc1F)C1CCC1	152985	JHIPOADNOOVJBZ-UHFFFAOYSA-N	226.226	2.208	50	30	BEGC	
O=C1c2ccccc2C(=O)N1[C@H](Cl)CCl	6117094	VGBCJXCFTBCISG-QMMMGPOBSA-N	244.077	2.086	50	30	BEGC	in-vitro
O=[N+]([O-])c1ccc(O)cc1CBr	97054381	UCKWYOREXFZRAL-UHFFFAOYSA-N	232.033	2.195	50	30	BEGC	
C[C@H](Cl)c1nnnn1C1CCCCC1	96034641	ZUQLJHYIBQAAOU-ZETCQYMHSA-N	214.700	2.478	50	30	BEGC	in-vitro
C[C@@H](Cl)CCc1ccc(C(=O)O)nc1	3629577	UMTVPJSYONKRSV-SSDOTTSWSA-N	213.664	2.340	50	30	BEGC	
FC(F)(F)COCCCBr	34959620	SRAVJVCBIFCNAB-UHFFFAOYSA-N	221.016	2.350	50	30	BEGC	in-vitro
Fc1cc(CI)ccn1	38977033	MHJIGSWCDKTXJN-UHFFFAOYSA-N	237.015	2.156	50	30	BEGC	
CCOCCN(C(=O)CCl)c1ccccc1	1852407	ABQSXHQIAIWLAX-UHFFFAOYSA-N	241.718	2.295	50	30	BEGC	
COCCOc1cccc(C#CCCl)c1	37470896	PQLLCMRKLIIDEZ-UHFFFAOYSA-N	224.687	2.302	50	30	BEGC	
O=C=NCCc1ccc(Br)cc1F	74942589	VCBICGUUADFYNQ-UHFFFAOYSA-N	244.063	2.467	50	30	BEGC	in-vitro
BrCCN1CCCCCC1	40989757	KQKDKTPZKCBWGD-UHFFFAOYSA-N	206.127	2.257	50	30	BEGC	
CC(=O)[C@H](Br)CCBr	136055893	XYVHYQRCFGWXLF-RXMQYKEDSA-N	243.926	2.124	50	30	BEGC	
Cn1ccc(-c2nc(CCl)cs2)n1	83571570	OYDJJOBSBFNZPS-UHFFFAOYSA-N	213.693	2.282	50	30	BEGC	
CCOC(=O)c1ccc(C(=O)Cl)cc1	13376025	POYHUEAWYYJRQL-UHFFFAOYSA-N	212.632	2.242	50	30	BEGC	in-vitro
N#CCCCCI	38283801	BUTKEUQCGYDXBR-UHFFFAOYSA-N	209.030	2.115	50	30	BEGC	
CCCCOCCOCCBr	1627235	ZQXKXVHMOHXGMR-UHFFFAOYSA-N	225.126	2.215	50	30	BEGC	
COC(=O)c1ccc(C)nc1CBr	95642715	CHRTWFUQFIPXHO-UHFFFAOYSA-N	244.088	2.072	50	30	BEGC	
N#Cc1ccsc1NC(=O)C(Cl)Cl	81871	RNBIMCMBVNVAHT-UHFFFAOYSA-N	235.095	2.362	50	30	BEGC	
Cc1cccnc1NC(=O)CCBr	19093885	FGMNSXILPANIPY-UHFFFAOYSA-N	243.104	2.114	50	30	BEGC	
Br[C@H]1CCCc2nccnc21	15042882	STQQSKCWKJEUEH-LURJTMIESA-N	213.078	2.249	50	30	BEGC	
COC(=O)CC/C(C)=C/CBr	36467544	PIJFWZZQZKZLQP-FNORWQNLSA-N	221.094	2.281	50	30	BEGC	
COc1cc(C(C)=O)ccc1C(=O)Cl	39057503	JVSBFRGSUFKDSJ-UHFFFAOYSA-N	212.632	2.277	50	30	BEGC	
O=C=N[C@H](Br)c1ccccc1	138338499	MBFCELOJKCZINL-QMMMGPOBSA-N	212.046	2.416	50	30	BEGC	
N#C/C(SS)=C(\C#N)SS	219220772	NTDTXASPPALCSX-ARJAWSKDSA-N	206.342	2.401	50	30	BEGC	
COCCOCCOc1ccc(CCl)cc1	70027673	ZJQGCLYVNPLBCS-UHFFFAOYSA-N	244.718	2.467	50	30	BEGC	
O=C(c1ccccc1)N1CC[C@@H](CCl)C1	71082791	KLDUWLRSVLERAY-JTQLQIEISA-N	223.703	2.388	50	30	BEGC	in-vitro
CC(C)(C)Oc1cccc(CCN=C=O)n1	75772089	AWBBZPMKCVJVLL-UHFFFAOYSA-N	220.272	2.137	50	30	BEGC	in-vitro
O=C1C[C@H](CBr)C12CCC2	2265384760	UQLHEVHAEYUUML-ZCFIWIBFSA-N	203.079	2.141	50	30	BEGC	
O=C1OC[C@H](Br)c2ccccc21	644165910	MPRUMZJTNKYLMP-QMMMGPOBSA-N	227.057	2.293	50	30	BEGC	
BrC[C@H]1CC[C@H](C2CC2)O1	307715632	IGQMQDHXHDDNLT-HTQZYQBOSA-N	205.095	2.339	50	30	BEGC	
C=C(C)CC/C(C)=C\[C@@H]1CC(=O)OC1=O	104999858	KSTGEJXIDQMMKZ-ABRRARGCSA-N	208.257	2.379	50	30	BEGC	
O=C(O)[C@@]1(c2ccccc2)C[C@H]1Br	306970957	ROLRQMRYWTXDCH-PSASIEDQSA-N	241.084	2.176	50	30	BEGC	
C[C@@H](Br)C(=O)c1ccco1	39055341	ZLZJJJKGSBIXNZ-RXMQYKEDSA-N	203.035	2.246	50	30	BEGC	in-vitro
CC(C)(C)CN1CCC[C@H](Br)C1=O	70061138	KZYZTNDGMIFRKW-QMMMGPOBSA-N	248.164	2.418	50	30	BEGC	in-vitro
CCOC(=O)[C@H]1C[C@@H]1CCCBr	584612013	YLLMIJRZYQMAPB-YUMQZZPRSA-N	235.121	2.361	50	30	BEGC	
O=C(Br)CCCBr	34085836	FKWORQBQNPAITE-UHFFFAOYSA-N	229.899	2.083	50	30	BEGC	
COC(=O)[C@H](Cl)c1cc(F)cc(F)c1	234582777	YDSMCJVRECMVIP-MRVPVSSYSA-N	220.602	2.418	50	30	BEGC	
CC(C)COC[C@H](C)OC(=O)[C@H](C)Cl	5759410	KBLCCQZNLNBPCW-IUCAKERBSA-N	222.712	2.218	50	30	BEGC	
COc1ccc(CC(=O)CBr)cc1	34530147	UWBKVIQJWFVXMI-UHFFFAOYSA-N	243.100	2.202	50	30	BEGC	
N#Cc1ccc(Br)cc1N=C=O	238059300	QSCJUOJHQRZWOD-UHFFFAOYSA-N	223.029	2.288	50	30	BEGC	
COC(=O)c1cc(C)cnc1CBr	95642718	MYBOSLFUBDSGIF-UHFFFAOYSA-N	244.088	2.072	50	30	BEGC	
BrC[C@@H]1CC[C@@H](C2CC2)O1	307715636	IGQMQDHXHDDNLT-YUMQZZPRSA-N	205.095	2.339	50	30	BEGC	
CON=CC(C#N)=Cc1ccc(N(C)C)cc1	2265270047	DHKZRVJXNRLQJK-UHFFFAOYSA-N	229.283	2.292	50	30	BEGC	
N#Cc1cc(CBr)sc1N	238710391	ZBIPCRNQMFFGHR-UHFFFAOYSA-N	217.091	2.097	50	30	BEGC	
OC[C@H](Cl)CC(Cl)(Cl)Cl	2027306	PHPDBVLDVIRSHU-GSVOUGTGSA-N	211.903	2.346	50	30	BEGC	
CCCCO[Si](C)(OCC)OCC	196522053	MPNIRQPIAODQIU-UHFFFAOYSA-N	206.358	2.445	50	30	BEGC	
CC(C)(C)[Si](C)(C)OC1CCN(N)CC1	950757253	MCYVDTNYABLGKY-UHFFFAOYSA-N	230.428	2.346	50	30	BEGC	
CCc1coc(C(=O)NN)c1-c1ccccc1	39102968	VGNGGPUGLADVCX-UHFFFAOYSA-N	230.267	2.113	50	30	BEGC	
CC(C)(C)OC(=O)NCc1cc(CCl)no1	1536220193	YOYLXVLFOZCRCV-UHFFFAOYSA-N	246.694	2.438	50	30	BEGC	
CCC1CCC(=NNC(=O)C2CC2)CC1	5917981	LKQZPGNTUIFHFO-UHFFFAOYSA-N	208.305	2.469	50	30	BEGC	
CC(C)CCNNC(=O)OC(C)(C)C	34415251	MLNIZGCXZSQUCZ-UHFFFAOYSA-N	202.298	2.062	50	30	BEGC	
N#CC1=CC(=C2OCCO2)c2ccccc21	33975502	LOFHCHIYFDFUNK-UHFFFAOYSA-N	211.220	2.323	50	30	BEGC	
CC(C)CN(CC(F)(F)F)C(=O)CCl	37654266	FRLJLPCVCAOXOY-UHFFFAOYSA-N	231.645	2.272	50	30	BEGC	in-vitro
ICC12CCC(CC1)O2	116188163	VMNQVEFKRFYTET-UHFFFAOYSA-N	238.068	2.133	50	30	BEGC	
O=C(Cl)c1ccccc1OCCF	39057142	PFSOHNXGULQJQP-UHFFFAOYSA-N	202.612	2.414	50	30	BEGC	
Cc1nccnc1[C@@H](C)Br	229231402	YIGGCBMLJHRCBB-RXMQYKEDSA-N	201.067	2.241	50	30	BEGC	
N=C1CN(c2ccc(Cl)c(Cl)c2O)OO1	139549295	FPTWQOQYGIFUDI-UHFFFAOYSA-N	249.053	2.359	50	30	BEGC	
C[C@H](Br)C(=O)c1ccccc1O	142685573	ZBSMRSZYYWZRIF-LURJTMIESA-N	229.073	2.358	50	30	BEGC	
COC(=O)NN=Cc1ccccc1Cl	13144605	CRQYZVSUKGORJG-UHFFFAOYSA-N	212.636	2.030	50	30	BEGC	
[C-]#[N+][C@H](C(=O)OC)c1ccccc1Cl	2265384619	BFMCKTVRDFTOAU-VIFPVBQESA-N	209.632	2.473	50	30	BEGC	
COC(N)=C(C#N)N=Cc1ccccc1Cl	2265222003	STRFCMIYBQXTPB-UHFFFAOYSA-N	235.674	2.057	50	30	BEGC	
O=C(NNc1ccc(F)cc1)C1CCC1	151442	SEMJELUURLMJIM-UHFFFAOYSA-N	208.236	2.069	50	30	BEGC	
N#Cc1cccc(Br)c1N=C=O	74942838	IISXKLLJMFMXIU-UHFFFAOYSA-N	223.029	2.288	50	30	BEGC	in-vitro
Cc1csc(C(=O)C(=O)Cl)c1C	39055302	QOYMNVJVAKBVOI-UHFFFAOYSA-N	202.662	2.313	50	30	BEGC	
O=C(CBr)CC[C@@H]1CCCCO1	87224491	NHBRYHSJEUUFLN-VIFPVBQESA-N	235.121	2.300	50	30	BEGC	
CN(CCCBr)C1CCC1	127703398	GRFWTMQMHZZXIL-UHFFFAOYSA-N	206.127	2.256	50	30	BEGC	
O[C](CBr)c1ccccc1	504713372	WHEFFUVXQUTUPB-UHFFFAOYSA-N	200.055	2.334	50	30	BEGC	
CCOC(=O)NNc1cc(C(F)(F)F)ccn1	78073	INDHBOLSKUAZOG-UHFFFAOYSA-N	249.192	2.173	50	30	BEGC	
C[C@@H](O[Si](C)(C)C(C)(C)C)[C@H]1CNC1=O	196622456	XDZTVBLUGCFKFW-RKDXNWHRSA-N	229.396	2.143	50	30	BEGC	
COc1cc(CCl)cc([N+](=O)[O-])c1	78210786	WEOYGUDIOABRHK-UHFFFAOYSA-N	201.609	2.342	50	30	BEGC	in-vitro
C[C@@H](Cl)C(=O)[C@@](C)(Cl)CCl	5751104	KAUWEMQJFDRELR-XINAWCOVSA-N	203.496	2.419	50	30	BEGC	
BrC[C@@H]1CCC2(CCOCC2)O1	306679421	HPWPCXCSMIAIGF-QMMMGPOBSA-N	235.121	2.110	50	30	BEGC	
Nc1nc(Br)ccc1CCl	95774458	ASJSZUOWYSOWLY-UHFFFAOYSA-N	221.485	2.165	50	30	BEGC	
CC(=O)[C@@H](Cl)C(=O)O[C@@H](C)c1ccccc1	1843540	VEDDRPPPVHQCQB-GXSJLCMTSA-N	240.686	2.487	50	30	BEGC	in-vitro
O=C(Cl)c1nc(Cl)ncc1Cl	39057492	CVLAXEJTBIGMMW-UHFFFAOYSA-N	211.435	2.162	50	30	BEGC	
N#CSc1cc2scnc2cc1N	45237140	QOUYPLYNOJXQPL-UHFFFAOYSA-N	207.283	2.452	50	30	BEGC	
CCC(=O)O[C@H](Br)C(C)C	96327227	BGWYAZUHYJKMEJ-ZETCQYMHSA-N	209.083	2.317	50	30	BEGC	
O=C(c1ccccc1)N1CC[C@H](CCl)C1	71082790	KLDUWLRSVLERAY-SNVBAGLBSA-N	223.703	2.388	50	30	BEGC	in-vitro
F[C@@H](CBr)C1CCOCC1	259574354	WRLZHOBSOMYXBG-ZETCQYMHSA-N	211.074	2.146	50	30	BEGC	
FC(F)(F)c1cc(CBr)n[nH]1	72226086	INRNGXYKFUSHIQ-UHFFFAOYSA-N	228.999	2.323	50	30	BEGC	
COC(=O)/C(C#N)=C/N1c2ccccc2C[C@H]1C	5141631	IELMCEIHXZGQBI-QSARLWQPSA-N	242.278	2.018	50	30	BEGC	
Cc1ccc(NNC(=O)c2ccno2)c(C)c1	151795	YGUYDNHVANJKQC-UHFFFAOYSA-N	231.255	2.048	50	30	BEGC	
CCc1ccc(OC)c(C(=O)Cl)c1O	39055865	FCERLAKYQWCXPU-UHFFFAOYSA-N	214.648	2.342	50	30	BEGC	
BrCc1nnc(C2CC2)s1	113300280	NJNWHEMXTWUORQ-UHFFFAOYSA-N	219.107	2.310	50	30	BEGC	in-vitro
COc1c(C=O)c(CCCl)cc2c1OCO2	22012912	XFMYFCKAWOMSDA-UHFFFAOYSA-N	242.658	2.018	50	30	BEGC	
O=C1CC(c2ccc(F)cc2Cl)CC(=O)O1	1536162022	CFMVTAMGMRHYOZ-UHFFFAOYSA-N	242.633	2.426	50	30	BEGC	
C=C[C@H](CCCCC)[C@H]1CC(=O)OC1=O	111906775	RYNKSPIWLXKJHG-NXEZZACHSA-N	210.273	2.459	50	30	BEGC	
COc1ccc2c(O)nc(CCl)nc2c1	114716519	NGMOHIZLMYXGNO-UHFFFAOYSA-N	224.647	2.083	50	30	BEGC	
C=C[C@@H](CCCCC)[C@H]1CC(=O)OC1=O	111906776	RYNKSPIWLXKJHG-VHSXEESVSA-N	210.273	2.459	50	30	BEGC	
C[C@H](Cl)C(=O)[C@@](C)(Cl)CCl	5734700	KAUWEMQJFDRELR-NJGYIYPDSA-N	203.496	2.419	50	30	BEGC	
FC(F)(F)Cn1ccc(CBr)n1	725262408	GEDHVGIMBCPIGX-UHFFFAOYSA-N	243.026	2.340	50	30	BEGC