smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
O=C(N/N=C/C=C/c1ccco1)c1ccccc1	3093110	PRHYRSJDDCIOKT-JBZDNPHWSA-N	240.262	2.709	50	40	BFGB	
CCOC(=O)N1CCCC[C@H]1CCCl	4716429	LEYIPJCZAUNTHU-VIFPVBQESA-N	219.712	2.626	50	40	BFGB	in-vitro
Cn1cccc1C(=O)/C(C#N)=C/c1ccsc1	4073090	ZRKDYLHNTXLSTL-YRNVUSSQSA-N	242.303	2.876	50	40	BFGB	
CCC/C=N/NC(=O)c1ccccc1C	5455388	OFCSBLCZRPJJFW-UKTHLTGXSA-N	204.273	2.511	50	40	BFGB	
N#CCN1c2ccccc2CC[C@@H]1Cl	5593863	DZCXKHSUCHTENQ-LLVKDONJSA-N	206.676	2.528	50	40	BFGB	
ClC[C@@H]1CC(C2CCCCC2)=NO1	68590106	UCQLAKJKFUGRDV-VIFPVBQESA-N	201.697	2.950	50	40	BFGB	in-vitro
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	255547836	UIYBDZMZJZKBFE-ZDIKFAODSA-N	246.285	2.647	50	40	BFGB	
CCC[C@@H](Br)CBr	2016740	CITMYAPULDSOHG-RXMQYKEDSA-N	229.943	2.945	50	40	BFGB	
O=C(O)[C@@H](CCBr)c1ccccc1	12357222	XUHOQWJGOZLWST-VIFPVBQESA-N	243.100	2.640	50	40	BFGB	
O=C(Cl)c1cc(F)c(Cl)c(F)c1	96029412	AHXLIGWIJJWAOQ-UHFFFAOYSA-N	210.994	2.997	50	40	BFGB	
C[C@@H](Cl)C(=O)N[C@H](C)c1ccc(F)cc1	2650718	XVXFVUJDOHMVOV-HTQZYQBOSA-N	229.682	2.630	50	40	BFGB	in-vitro
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@@H]2Br	100005458	NJQADTYRAYFBJN-BRDIYROLSA-N	231.133	2.775	50	40	BFGB	
Cc1cccc2c1O[C@H](Cl)[C@@H](Cl)O2	103569588	PMIXYZDNKKOGQT-IUCAKERBSA-N	219.067	2.896	50	40	BFGB	
Cc1ccc(/C=N\NC(=O)c2ccccc2)cc1	31647476	TZBRMRLBEFLVNA-WJDWOHSUSA-N	238.290	2.759	50	40	BFGB	
CCc1ccc(NC(=O)NCCCl)cc1	1699664	ZHYNQODKDFBRDD-UHFFFAOYSA-N	226.707	2.609	50	40	BFGB	
COc1ccccc1N(CCCl)CCCl	1769223	JHEGFJPJFFDLIB-UHFFFAOYSA-N	248.153	2.979	50	40	BFGB	
OC12C[C@H]3C[C@H](C1)CC(CBr)(C3)C2	100068346	GTPYLJQQDHYXDY-SAAXCQNUSA-N	245.160	2.713	50	40	BFGB	
CCCC[C@@H](CSC#N)SC#N	104155801	UKPBSSISVYSCNO-QMMMGPOBSA-N	200.332	2.974	50	40	BFGB	
CCCCCC(=O)NNc1ccc(F)cc1	66282068	OUZPFFZGDGPUBI-UHFFFAOYSA-N	224.279	2.849	50	40	BFGB	
O=C(Cl)CCc1ccccc1OC(F)F	72206801	CCIJZZBHJAJXRU-UHFFFAOYSA-N	234.629	2.986	50	40	BFGB	
FCCOc1ccc(CBr)cc1	72226518	MXQCZCLURCGAHD-UHFFFAOYSA-N	233.080	2.930	50	40	BFGB	
C[C@@H](Br)c1ccc(F)cn1	96515856	QRKKQOLMCQMFKC-RXMQYKEDSA-N	204.042	2.677	50	40	BFGB	
CC1(C)[C@@H]2CC[C@]1(CBr)C(=O)C2	100191149	NWKJJEBSNWZSOD-XCBNKYQSSA-N	231.133	2.777	50	40	BFGB	
Cc1cccc(C[C@@H](Br)C#N)c1	5214599	LMGKTFZOUIZMCC-SNVBAGLBSA-N	224.101	2.825	50	40	BFGB	
CC(C)(C)OC(=O)N/N=C/c1cccs1	179745	NRWWYAMDBJLDCQ-YRNVUSSQSA-N	226.301	2.607	50	40	BFGB	
C[C@@H](Cc1ccccc1)NCCCCl	1849798	XXVROGAVTTXONC-NSHDSACASA-N	211.736	2.836	50	40	BFGB	in-man
O=C1c2ccccc2CCC[C@@H]1Br	4991181	JIIICACPFONLNC-JTQLQIEISA-N	239.112	2.969	50	40	BFGB	
CC(C)Oc1ccc(C(=O)CCl)cc1	20136100	KLEUQKRCMYGEBO-UHFFFAOYSA-N	212.676	2.895	50	40	BFGB	
COc1ccc(C(=O)[C@@H](C)Cl)cc1F	35423808	GUHGVAYCSNVHDV-ZCFIWIBFSA-N	216.639	2.644	50	40	BFGB	
CC(C)N(Cc1cccc(F)c1)C(=O)CCl	79420489	VFFAAOMCZIZCCH-UHFFFAOYSA-N	243.709	2.802	50	40	BFGB	
CCOC(=O)N/N=C(\C)[C@H]1C[C@H]2CC[C@H]1C2	107547560	AHHMMDWWIPBZFE-HIHXSLEPSA-N	224.304	2.545	50	40	BFGB	
O=C(OC(CCl)CCl)[C@H]1CC=CCC1	5376789	IEMNUVORRAKSQZ-QMMMGPOBSA-N	237.126	2.732	50	40	BFGB	
N#Cc1ccccc1NC(=O)CCCCCl	20204521	VCRHZQNHSWXPMS-UHFFFAOYSA-N	236.702	2.906	50	40	BFGB	
N#CC=C1CCN(Cc2ccccc2)CC1	38886830	GGCMXNUEQZLZHX-UHFFFAOYSA-N	212.296	2.732	50	40	BFGB	in-vitro
CCOC(=O)N[C@@H]1Cc2ccccc2[C@@H]1Cl	4002195	NPAKIBSOTNOMFJ-MNOVXSKESA-N	239.702	2.637	50	40	BFGB	
O=NN(CCCl)/C(S)=N/c1ccccc1	6514390	JGOBGTIIEBVRFX-UHFFFAOYSA-N	243.719	2.826	50	40	BFGB	
C[C@H](Cl)C(=O)c1ccc(N(C)C)cc1	36203282	FPSBGDSOKKZYTD-QMMMGPOBSA-N	211.692	2.563	50	40	BFGB	
CC(C)=C1[C@H]2CCC[C@@H]1/C(=N/NC(N)=O)CC2	43761561	JGBMGFOVJWYPHF-KSOZTTGBSA-N	235.331	2.557	50	40	BFGB	
O=C(CCCCl)Nc1cc(F)cc(F)c1	20204263	CWWBSCLLQASWJF-UHFFFAOYSA-N	233.645	2.922	50	40	BFGB	
CCN(Cc1ccccc1C)C(=O)CCl	35238447	ZHRJXMOTODRZNK-UHFFFAOYSA-N	225.719	2.582	50	40	BFGB	
CC1(C)OC[C@H](CCCCBr)O1	5415363	SDDRFUNEYCNQQQ-QMMMGPOBSA-N	237.137	2.703	50	40	BFGB	
O=C(N/N=C/c1cccs1)[C@H]1C[C@@H]2CC[C@@H]1C2	100484531	DJWDETGXNBGOHX-WNHDFSCSSA-N	248.351	2.634	50	40	BFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1	100937155	KOMHHNSENNVSJW-KHRHSHNISA-N	240.306	2.614	50	40	BFGB	
N#Cc1ccc(N(CCCl)CCCl)cc1	1566829	VDPIEHNUNDVINZ-UHFFFAOYSA-N	243.137	2.842	50	40	BFGB	
O=C(Nc1ccc(F)cc1)C(Cl)Cl	2807164	JGEWHKITJNMYKN-UHFFFAOYSA-N	222.046	2.568	50	40	BFGB	
ClCc1nc(Cl)cc([C@@H]2CCCO2)n1	72209927	OVJLKUYLWJSQRK-ZETCQYMHSA-N	233.098	2.720	50	40	BFGB	
Cc1cc(CCl)cnc1N1CCCC1	72222427	IWFOAUFAXDZHBO-UHFFFAOYSA-N	210.708	2.729	50	40	BFGB	
O=C1Oc2ccc(Cl)cc2[C@@H]1Cl	196342956	HPQQFRZREAQBEY-ZETCQYMHSA-N	203.024	2.539	50	40	BFGB	
Cc1nc2ccccc2nc1CBr	1727740	QHCWJHQEBKERCS-UHFFFAOYSA-N	237.100	2.833	50	40	BFGB	
CCCCCCCC(=O)N/N=C(C)\C(C)=N/O	101155862	VOBJBVLDWWNOGJ-BDXDCFHCSA-N	241.335	2.689	50	40	BFGB	
C[C@H](CBr)CC(F)(F)F	2556468	SFOPGIIIADAOND-BYPYZUCNSA-N	205.017	2.970	50	40	BFGB	in-vitro
CCOC(=O)N/N=C/c1ccc(C(C)C)cc1	5459171	KSOQWXGDUYHQGI-NTEUORMPSA-N	234.299	2.890	50	40	BFGB	
COc1ccc(CCBr)cc1C	71423640	VVAYOBBFLGTRFO-UHFFFAOYSA-N	229.117	2.941	50	40	BFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)C1CCCCC1	102237208	OKUXOAZKYHVMTC-YEFIBJERSA-N	246.354	2.881	50	40	BFGB	
CCO[C@@H]1O[C@](C)(C=C(C#N)C#N)CC[C@H]1C	5650876	IQUJVBXHKPNPIG-RTXFEEFZSA-N	234.299	2.528	50	40	BFGB	
C[C@@H](Br)C(=O)c1ccccc1F	22006681	SRWOGHXEYXHDFI-ZCFIWIBFSA-N	231.064	2.792	50	40	BFGB	in-vitro
O=C/C=C/c1ccc(OC(F)(F)F)cc1	26893611	GGNLWQJCNHVNJG-OWOJBTEDSA-N	216.158	2.797	50	40	BFGB	
O=C(O)[C@H](Cl)c1ccc(Cl)cc1	34068786	FMQMNKWDDJUULQ-SSDOTTSWSA-N	205.040	2.705	50	40	BFGB	
O=C1OC(=O)[C@@H]2[C@H]3CC[C@H](C3=C3CCCCC3)[C@@H]12	104057154	LEEYHIQGDMSAHO-LYIQGSDWSA-N	246.306	2.603	50	40	BFGB	
N#CC1=C2C=Cc3ccccc3N2CCCC1=O	41750	CFYYDILZUCNCFM-UHFFFAOYSA-N	236.274	2.660	50	40	BFGB	
COc1ccc(C)cc1C(=O)CBr	2576079	GXQIEOAVICIPCC-UHFFFAOYSA-N	243.100	2.581	50	40	BFGB	
Cc1ccc(/C=C(\C#N)C(=O)NC2CCCC2)o1	4544501	CABUBJNVZWSPGO-DHZHZOJOSA-N	244.294	2.554	50	40	BFGB	
O=C(CCl)Nc1ccc(Cl)c(F)c1	8730456	MDWWEKZOGOWJJO-UHFFFAOYSA-N	222.046	2.656	50	40	BFGB	in-vitro
CC(C)=C(C#N)c1nc2ccccc2n1C	12600734	RDUCBMMCNJVJRF-UHFFFAOYSA-N	211.268	2.890	50	40	BFGB	
O=C(Cl)CCCC(=O)c1ccccc1	95704875	OICMCVXBSRBNGJ-UHFFFAOYSA-N	210.660	2.805	50	40	BFGB	
CC(C)C1CCC(OC(=O)CCl)CC1	1867055	DJFWFDVJXJZDST-UHFFFAOYSA-N	218.724	2.983	50	40	BFGB	
N#C/C(=C1\CCCN1)c1ccc2ccccc2n1	25337378	BLXBDNJDLVZODJ-OWBHPGMISA-N	235.290	2.853	50	40	BFGB	
N#CSc1ccc([N+](=O)[O-])cc1Cl	70461218	RMLODBFDPVMALX-UHFFFAOYSA-N	214.633	2.821	50	40	BFGB	
Cc1[nH]c2c(c1C(C#N)=C(C#N)C#N)CCCC2	792451	IPHRJXFMMTVIMS-UHFFFAOYSA-N	236.278	2.526	50	40	BFGB	
C/C(=N\NC(=O)C1CCCCC1)c1cccnc1	5890286	VGBKUIYVTUKOHE-LFIBNONCSA-N	245.326	2.502	50	40	BFGB	
CCCN(CCC)C(=O)CCCCl	6043205	QMFTZGZZBHNKJU-UHFFFAOYSA-N	205.729	2.654	50	40	BFGB	
CN1c2ccccc2S[C@@H]2C=CC(C#N)=C[C@H]21	101242750	VVTVMRJQNKINKL-TZMCWYRMSA-N	240.331	2.985	50	40	BFGB	
CC1(C)[C@H]2CC[C@@]1(CBr)[C@@H](O)C2	108340982	RBBMBWFNBKIZND-OYNCUSHFSA-N	233.149	2.569	50	40	BFGB	
Cc1cc(F)c(CBr)c([N+](=O)[O-])c1	306910126	HUYGCJLMZHTNSB-UHFFFAOYSA-N	248.051	2.937	50	40	BFGB	
O=C(CCl)N1CCC[C@H]1c1ccsc1	37654194	NLMJBFLSTICGSA-VIFPVBQESA-N	229.732	2.650	50	40	BFGB	in-vitro
CCOC(=O)c1ccccc1C(=O)[C@@H](C)Cl	309210315	GCCPGPZSXFZCFD-MRVPVSSYSA-N	240.686	2.673	50	40	BFGB	
N#C/C=C\c1cccc(Br)c1	8653270	DTGJLERNSYLLAU-RQOWECAXSA-N	208.058	2.986	50	40	BFGB	
Cc1ccsc1/C=C(\C#N)C(=O)N1CCCC1	43079515	MCWBSJHBEFLLEL-DHZHZOJOSA-N	246.335	2.586	50	40	BFGB	
COC(=O)[C@H](Cl)c1ccc(F)cc1C	50978283	SBDGKQCTJCZZOH-SECBINFHSA-N	216.639	2.587	50	40	BFGB	
Cc1[nH]c2ccccc2c1NC(=O)CCl	77334780	WRPUTTIAUPYTHV-UHFFFAOYSA-N	222.675	2.654	50	40	BFGB	
CCOC(=O)/C(O)=C(/C#N)c1cc(C)ccc1C	104039744	JORNSLGVKDYAAB-OUKQBFOZSA-N	245.278	2.659	50	40	BFGB	
Br[C@H]1OCCc2ccccc21	39254976	OYHBXVUMVBUXLZ-VIFPVBQESA-N	213.074	2.653	50	40	BFGB	
O=C(N/N=C\c1cccs1)c1ccc(F)cc1	6829207	ZASXCHKYKFFZFA-ZSOIEALJSA-N	248.282	2.651	50	40	BFGB	
ClCc1cc(-c2ccc3c(c2)OCO3)on1	26421039	NFTRXUPBQLRUCT-UHFFFAOYSA-N	237.642	2.809	50	40	BFGB	
Cc1cc2nc(N)sc2cc1SC#N	45237935	KALCMKJXFBGNJA-UHFFFAOYSA-N	221.310	2.760	50	40	BFGB	
N#Cc1cc(F)cc(CBr)c1	89064424	SUIFNMFWHQFXIP-UHFFFAOYSA-N	214.037	2.592	50	40	BFGB	in-vitro
N#CC(C#N)=Cc1ccc(OC(F)F)cc1	1465847	XEOGYLXHYJALAU-UHFFFAOYSA-N	220.178	2.719	50	40	BFGB	
Cc1c(F)cccc1NC(=O)CCCl	16250066	WWDXMSLNYILHIL-UHFFFAOYSA-N	215.655	2.702	50	40	BFGB	
C[C@]12CN(CCCl)C[C@@H]1[C@@H]1CC[C@@H]2C1	104382754	APPCPJCDSBPQRV-DDHJBXDOSA-N	213.752	2.593	50	40	BFGB	
CCN(CC)c1ccc(C=C(C#N)C#N)o1	4933761	CVNKUQKXBWBPJR-UHFFFAOYSA-N	215.256	2.556	50	40	BFGB	
CCCCCC[C@@H](C)OC[C@@H](O)CCl	5418339	GGXHMHHWCRXTHN-MNOVXSKESA-N	222.756	2.962	50	40	BFGB	
CC(C)(C)C(=O)/C(C#N)=C\c1cccnc1	5187030	NNDPQNVZKPHVFM-XFFZJAGNSA-N	214.268	2.604	50	40	BFGB	
CN(C)/C=C/C(=C(C#N)C#N)c1ccccc1	63760941	DHIFGWUOTOJHEN-CMDGGOBGSA-N	223.279	2.563	50	40	BFGB	
O=C(O)c1ccc(CBr)c(Cl)c1	71617828	QUKWHRILDXJHEI-UHFFFAOYSA-N	249.491	2.933	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCl)C2	2810018	PYXCVNYPFHGKLE-YGOYTEALSA-N	229.751	2.556	50	40	BFGB	
O=C(N/N=C/c1cccs1)[C@@H]1C[C@@H]2CC[C@@H]1C2	100484528	DJWDETGXNBGOHX-VKRWISKPSA-N	248.351	2.634	50	40	BFGB	
O=C(CCl)Cc1ccccc1Br	37066110	IAMJCEZZJGGUOB-UHFFFAOYSA-N	247.519	2.800	50	40	BFGB	in-vitro
C=CCc1ccccc1NC(=O)NCCCl	1614965	GVPRVQMWAGIIMZ-UHFFFAOYSA-N	238.718	2.775	50	40	BFGB	
CC1=CC[C@H](COC(=O)CCl)CC1	5416317	WGIASZMCJZNQMX-VIFPVBQESA-N	202.681	2.515	50	40	BFGB	
CCO[P@](=O)(CC)OCCBr	5840597	ZRJYDEYAZOWOGI-LLVKDONJSA-N	245.053	2.647	50	40	BFGB	
O=C[C@@H](Cl)Cc1ccccc1Cl	36204245	OFIITVGIPGZHRV-QMMMGPOBSA-N	203.068	2.689	50	40	BFGB	
O=C(Cl)c1c(Cl)cccc1[N+](=O)[O-]	71195841	IBOKYCVNZRDIAB-UHFFFAOYSA-N	220.011	2.627	50	40	BFGB	in-vitro
CCCCCc1ccc(C(=O)NN(C)C)cc1	5614854	GLOWABPRPGPGFO-UHFFFAOYSA-N	234.343	2.626	50	40	BFGB	
CCCOc1ccccc1NC(=O)CCl	12504997	VFZGUMBKRZRFTQ-UHFFFAOYSA-N	227.691	2.653	50	40	BFGB	
CCCCCC/C(C)=C(\C#N)C(=O)OC	16925370	LIMZGYILLAMSAD-ZHACJKMWSA-N	209.289	2.970	50	40	BFGB	
Cc1ccc2c(c1)CCCN2C(=O)[C@H](C)Cl	19471098	XYMLYRHCLHATCD-JTQLQIEISA-N	237.730	2.902	50	40	BFGB	
CC1(C)[C@@H]2C=C[C@H](Br)C(=O)[C@H]1C2	43762134	GYRYTKFGXWIPRO-PRJMDXOYSA-N	229.117	2.551	50	40	BFGB	
O=Cc1cccc(F)c1CBr	98210777	KYJBZHKEUREGLV-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
COC(=O)N/N=C(\C)c1ccc2c(c1)CCCC2	4812416	VQFONQSXVUUQIK-XNTDXEJSSA-N	246.310	2.645	50	40	BFGB	
N#Cc1ccc(C(=O)Cl)c(Cl)c1	33966306	DOPKWYOKCOMXLV-UHFFFAOYSA-N	200.024	2.591	50	40	BFGB	in-vitro
CCN(C(=O)[C@H](C)Cl)C1CCCCC1	6432341	ZUNDGFTVHZWUAH-VIFPVBQESA-N	217.740	2.795	50	40	BFGB	
O=C=Nc1cccc(F)c1C(F)(F)F	115364741	DQCHFPJYQQAEBM-UHFFFAOYSA-N	205.110	2.812	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc(C(=O)OC)cc1	309370869	SAVKAOCRWZOGIX-SNVBAGLBSA-N	240.686	2.673	50	40	BFGB	
F[C@@H](Cl)C(F)(F)OCC(F)(F)F	2560093	SNVWPWRMMAPUJZ-UWTATZPHSA-N	216.508	2.693	50	40	BFGB	in-vitro
CC(C)C(=O)N/N=C\c1cccc2ccccc12	58885427	UWXAFKGMRSJDQV-YBEGLDIGSA-N	240.306	2.946	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@@H](O)C1	196737638	NLXIOZRBFNUITF-NXEZZACHSA-N	216.397	2.922	50	40	BFGB	
CC(C)(C)OC(=O)Oc1ccc([N+](=O)[O-])cc1	2575522	XNPGBDJTEBCMHA-UHFFFAOYSA-N	239.227	2.909	50	40	BFGB	
CC(C)C(=O)Oc1cccc(CCl)c1	74942522	GNWCGSCZDXVNIF-UHFFFAOYSA-N	212.676	2.987	50	40	BFGB	
Nc1ccc(C(=O)N/N=C/C2CCCCC2)cc1	5390817	RSFNHDVYWZUSRC-MHWRWJLKSA-N	245.326	2.565	50	40	BFGB	
O=C(Cl)c1ccccc1CBr	39191146	ZSCSUJZQCNTODA-UHFFFAOYSA-N	233.492	2.961	50	40	BFGB	
F[C@H](Br)[C@@]1(F)C=CC(F)(F)O1	68591055	LYYPBEBABNTTQQ-IUYQGCFVSA-N	234.974	2.522	50	40	BFGB	
CC1(C)CCCC2=C1C[C@H]1C(=O)OC(=O)[C@H]1C2	100472720	PMCKZAHMLHCQQZ-VHSXEESVSA-N	234.295	2.603	50	40	BFGB	
CC(=O)N/N=C/c1cn(C(C)C)c2ccccc12	409012447	KCXWYKNZUXQYES-OVCLIPMQSA-N	243.310	2.692	50	40	BFGB	
Cn1c(CBr)c(C#N)c2ccccc21	36701	LRXPOGOLGOMRBO-UHFFFAOYSA-N	249.111	2.945	50	40	BFGB	
CC[C@H](C)/C(C)=N/NC(=O)c1ccc(O)cc1	7945607	DRFUTVCMGHZNQD-SUFRGBFDSA-N	234.299	2.544	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(CBr)[C@H](O)C2	34802274	RBBMBWFNBKIZND-NQMVMOMDSA-N	233.149	2.569	50	40	BFGB	
O=C(CBr)c1ccc(CF)cc1	218458035	ZBHQLEPMHKNCTQ-UHFFFAOYSA-N	231.064	2.734	50	40	BFGB	
C/C(=N/NC(=O)COc1ccccc1)C(C)(C)C	33939057	YROYUCRUMRICQP-PTNGSMBKSA-N	248.326	2.604	50	40	BFGB	
COc1ccc2[nH]cc(C(=O)Cl)c2c1	142081950	KMBCVIWHLFFVHQ-UHFFFAOYSA-N	209.632	2.556	50	40	BFGB	
ClCc1nc(C2CC2)n2ccccc12	225744970	TYAQGBOTLFDQCG-UHFFFAOYSA-N	206.676	2.951	50	40	BFGB	
Cc1ccc(C(=O)N/N=C/c2ccc(C)o2)cc1	54970	FHILJTYLMWIVGR-OQLLNIDSSA-N	242.278	2.660	50	40	BFGB	
COc1ccc(-n2cccc2C=C(C#N)C#N)cc1	885643	BDWVCVDOMOCEKJ-UHFFFAOYSA-N	249.273	2.916	50	40	BFGB	
COC(=O)N/N=C1/C[C@@H](C)CC(C)(C)C1	6175540	FAMKEJXWJBLAPY-BNAPCTMISA-N	212.293	2.545	50	40	BFGB	
Cl[C@@H]1CCCN(Cc2ccccc2)C1	39199441	CAZPTZSOOQVBMU-GFCCVEGCSA-N	209.720	2.890	50	40	BFGB	in-vitro
FC(F)(F)c1csc(CCl)n1	61803033	FTRDOORESQIZAM-UHFFFAOYSA-N	201.600	2.901	50	40	BFGB	in-vitro
CCCOc1ccc2c(c1)OCC(C#N)=C2	32936489	WJAPITBYDRQAQY-UHFFFAOYSA-N	215.252	2.775	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(OC)c(OC)c1	71423521	WZDRLPROZUKLET-VIFPVBQESA-N	242.702	2.904	50	40	BFGB	
ClCc1nc(Cl)cc([C@H]2CCCO2)n1	72209928	OVJLKUYLWJSQRK-SSDOTTSWSA-N	233.098	2.720	50	40	BFGB	
C[C@H]1CCCC/C1=N/NC(=O)c1ccccc1O	100152706	CRWYOXAYKHRBAT-RYPPMWICSA-N	246.310	2.688	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@@H]1C=C[C@H](O)C1	195869629	VRSPJPYUHXNQHT-VHSXEESVSA-N	214.381	2.698	50	40	BFGB	
CC(/C=C(/C#N)C(=O)N(C)C)=C\c1ccccc1	408857476	OLOMTQFJLAJJLW-FNIWZSMSSA-N	240.306	2.628	50	40	BFGB	
CCOC(=O)/C(C#N)=C(/CC)c1ccccc1	1600388	LYBDDDYNWSIADW-SEYXRHQNSA-N	229.279	2.937	50	40	BFGB	
O=C1O[C@@H](CCl)CN1c1cccc(Cl)c1	38478234	ZBBHAYPQIYWBPS-VIFPVBQESA-N	246.093	2.904	50	40	BFGB	
O=C=Nc1ccc(Br)c(F)c1	43577109	WOTMUQRPKDDBEH-UHFFFAOYSA-N	216.009	2.556	50	40	BFGB	in-vitro
CCCc1cc(Cl)nc(CCl)n1	62701750	MGDMROOBVFQKBI-UHFFFAOYSA-N	205.088	2.821	50	40	BFGB	
BrC[C@@H]1CC[C@H](c2ccccn2)O1	198735910	MMELHAOKCHLRPM-WCBMZHEXSA-N	242.116	2.697	50	40	BFGB	
ClC[C@@H]1CO[C@@H](CCc2ccccc2)O1	1676837	LVEXQJQCORNRGK-VXGBXAGGSA-N	226.703	2.600	50	40	BFGB	
ClCc1cc(Br)ccn1	66327847	JJTOQZAHQZOCKN-UHFFFAOYSA-N	206.470	2.583	50	40	BFGB	
CC(C)(COCCCl)C(F)(F)F	1083807014	PXQCVNPFZGNKDF-UHFFFAOYSA-N	204.619	2.830	50	40	BFGB	
Cl[C@@H]1CSc2nc3ccccc3n2C1	239391	WULGVLPHIXWDON-ZETCQYMHSA-N	224.716	2.749	50	40	BFGB	
CCCCCN(CCCl)CCCl	1700888	KPPJKQKNRVSYKR-UHFFFAOYSA-N	212.164	2.956	50	40	BFGB	
COc1cccc(C(=O)NN=C2CCCCC2)c1	5352293	HUERFXNVMUATHU-UHFFFAOYSA-N	246.310	2.745	50	40	BFGB	
COc1ccc(/C=C/C#N)cc1Br	33858869	CDFIKRAYTVYOOU-NSCUHMNNSA-N	238.084	2.994	50	40	BFGB	
Cc1cc(Br)cc(/C=C/C=O)c1O	216763740	NVTPSRFJAUBCML-NSCUHMNNSA-N	241.084	2.675	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)c1cccc(F)c1	256052243	MNJLHCXRHLAUCY-FMIVXFBMSA-N	233.242	2.686	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc(OC(C)=O)cc1	309377711	WEYPWHLZKRVHRQ-LLVKDONJSA-N	240.686	2.812	50	40	BFGB	
FC(F)(F)Oc1cccc(CCl)n1	238536086	IUNGERYPOZEOFN-UHFFFAOYSA-N	211.570	2.719	50	40	BFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1cccc(F)c1	5671246	HUJBBKJMBOPCFW-XIYCXZRASA-N	244.269	2.508	50	40	BFGB	
Cc1ccc(F)cc1NC(=O)C(Cl)Cl	6815277	RTJQQPOHHVVHDZ-UHFFFAOYSA-N	236.073	2.876	50	40	BFGB	
N#CSc1ccc(N)c(C(F)(F)F)c1	39386587	AVAVGEJYYHSTIT-UHFFFAOYSA-N	218.203	2.861	50	40	BFGB	
FC(F)(F)SCCBr	95918013	IDWNHZNFMKSHOE-UHFFFAOYSA-N	209.030	2.634	50	40	BFGB	in-vitro
O=S1(=O)CCC[C@H]1[C@@H](Cl)c1ccccc1	1725675	AKLDOPKGYNASAB-QWRGUYRKSA-N	244.743	2.544	50	40	BFGB	
COC(=O)/C(C#N)=C/c1cc2ccccc2o1	102577	HUTTXHHCZILHNA-JXMROGBWSA-N	227.219	2.513	50	40	BFGB	
C/C(CC[C@@H](C)c1ccc(C)cc1)=N\NC(N)=O	4266640	HVLSSFIEHNVHNK-VFJWTBQQSA-N	247.342	2.923	50	40	BFGB	
CCOC(=O)/C(C#N)=C\C=C/c1ccccc1	17354819	LXDIOTPAZODMST-APPVOSCISA-N	227.263	2.713	50	40	BFGB	
BrCc1csc2cncnc12	64034436	KLQPAQAYJCSWQB-UHFFFAOYSA-N	229.102	2.586	50	40	BFGB	
Cc1cc(C(=O)N/N=C2\C[C@@H]3CC[C@@H]2C3)cs1	102327644	JOZQPCNFHUMXHF-UFLFEFRISA-N	248.351	2.962	50	40	BFGB	
C[C@H](Br)[C@@H](C)CBr	196276263	BUSRMHUIGFKVAM-WHFBIAKZSA-N	229.943	2.801	50	40	BFGB	
ClCCN1CN(CCCl)c2ccccc21	1562207	YGOBEYPSQQDQHU-UHFFFAOYSA-N	245.153	2.748	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(C)[C@@H](NC(=O)CCl)C2	12384181	PYXCVNYPFHGKLE-HOTUBEGUSA-N	229.751	2.556	50	40	BFGB	
CSC(Nc1ccccc1)=C(C#N)C#N	1986901	LILMWMLGIJHVAW-UHFFFAOYSA-N	215.281	2.720	50	40	BFGB	biogenic
CCOC(=O)N/N=C(\C)c1ccc(Cl)s1	5163783	DDZJBDZRQLWWKN-IZZDOVSWSA-N	246.719	2.872	50	40	BFGB	
CS[C@H](C(=O)Nc1ccccc1)[C@@H](C)Cl	2292045	UMZNACFCWPBQQE-SCZZXKLOSA-N	243.759	2.984	50	40	BFGB	
Cc1ccc(Cn2ccc(N=C=S)n2)cc1	2536519	ZCGCQUHSFNMHBA-UHFFFAOYSA-N	229.308	2.974	50	40	BFGB	
Cc1cccc(CI)c1	78014922	YEUJFQUXZGQJGQ-UHFFFAOYSA-N	232.064	2.930	50	40	BFGB	
CCCCCCCC(=O)N/N=C/c1ccccn1	100937089	MBOOHFHSOUGHRF-FOWTUZBSSA-N	247.342	2.892	50	40	BFGB	
FC1(F)CC[C@H](CI)C1	117709358	OGPZYCIKOMJVFP-YFKPBYRVSA-N	246.038	2.857	50	40	BFGB	
CCOC(=O)/C(C#N)=C/[C@H](C)c1ccccc1	5064407	MFLJZPNENIEBMK-GJSJWPQCSA-N	229.279	2.803	50	40	BFGB	
CC(C)(C)O[C@H]1C[C@H](Br)C1	299805369	KPSLXTOCYSMBTR-LJGSYFOKSA-N	207.111	2.727	50	40	BFGB	
CCOC(=O)c1cccc(C(=O)[C@@H](C)Cl)c1	309324463	QKQYJSQWELJEHL-MRVPVSSYSA-N	240.686	2.673	50	40	BFGB	
Cc1ccc(SC(=O)CCl)cc1	1655686	PZCWLOADIZFERQ-UHFFFAOYSA-N	200.690	2.853	50	40	BFGB	
O=C(CCBr)c1ccccc1	6095745	RTXGOKBYAHABBR-UHFFFAOYSA-N	213.074	2.654	50	40	BFGB	
O=P(F)(c1ccccc1)c1ccccc1	95612019	FBHHZEPZBVNZRM-UHFFFAOYSA-N	220.183	2.885	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)O)[C@H]2Br	101041838	OBHCEFJZOKLDIF-WQGWLQIFSA-N	247.132	2.661	50	40	BFGB	
Cc1cc2nc(CCCl)n(C)c2cc1C	225296886	KLXXUVJTXKKIRK-UHFFFAOYSA-N	222.719	2.971	50	40	BFGB	
CC1CCN(c2ccc(C=C(C#N)C#N)o2)CC1	409273709	RLFAHTZQZFEBOY-UHFFFAOYSA-N	241.294	2.946	50	40	BFGB	
O=C/C=C\c1ccccc1Br	83407045	NIDKLBQFMCVZKV-HYXAFXHYSA-N	211.058	2.661	50	40	BFGB	
CC1(C)CC(CI)C1	85345223	BOOVMEMADPXHFY-UHFFFAOYSA-N	224.085	2.858	50	40	BFGB	
CCN[C@@H](C)O[Si](C)(CC(C)C)OCC	198680460	DVXHRXDVNXCARD-ZRKZCGFPSA-N	233.428	2.723	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](OC(=O)CCl)C2	6394581	VSQKDAUZKNYBHR-LNLATYFQSA-N	230.735	2.983	50	40	BFGB	
N#C/C(=C/c1ccncc1)c1ccccn1	12367847	CVRARXQSJXGYBH-XFXZXTDPSA-N	207.236	2.541	50	40	BFGB	
Cc1ccccc1CN(C(=O)CCl)C1CC1	33466353	HHXDUSNEXQTLJF-UHFFFAOYSA-N	237.730	2.725	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(OC)cc1OC	71423579	PCKIVPJJWNJDEQ-JTQLQIEISA-N	242.702	2.904	50	40	BFGB	
COc1ccc2cc(CCl)cnc2c1	72226734	NNTFKHLIMYVCMM-UHFFFAOYSA-N	207.660	2.982	50	40	BFGB	
CCN(CCCl)c1ccc(C=O)cc1	1698830	MFUFJCIFNHFEDW-UHFFFAOYSA-N	211.692	2.564	50	40	BFGB	
Cc1ccc(C)c(CC[C@H](O)CCl)c1	2045154	BDDFIVPGSLEAFG-LBPRGKRZSA-N	212.720	2.836	50	40	BFGB	
C[C@@H](Br)[C@@H](Cl)Br	2579134	XWACZKSYLJCQIJ-PWNYCUMCSA-N	236.334	2.730	50	40	BFGB	
CCCCCCC[S@@](=O)CCCl	104158640	ZSJLOCPVTWKDQV-LBPRGKRZSA-N	210.770	2.944	50	40	BFGB	
CCOC(=O)N/N=C\c1c(F)cccc1Cl	5049247	YGRPMDVMCXINLR-MLPAPPSSSA-N	244.653	2.559	50	40	BFGB	
CCCCNC(=O)/C(C#N)=C/c1ccc(F)cc1	5131326	MDHZWQPRIRJVQV-FMIVXFBMSA-N	246.285	2.649	50	40	BFGB	
CSc1ccc([C@@H](C)NC(=O)CCl)cc1	37005336	UELMVKKQRYTUSR-MRVPVSSYSA-N	243.759	2.825	50	40	BFGB	
O=C1O[C@H](CCl)CN1c1ccc(Cl)cc1	38478233	WJFFNTWRAIJTPI-SECBINFHSA-N	246.093	2.904	50	40	BFGB	
CCOc1ccc(C#CCBr)cc1	95632072	CTHNKNOBJPKRKR-UHFFFAOYSA-N	239.112	2.832	50	40	BFGB	
Cl[C@H]1CC[C@@H]2CCC[C@H]1SOO2	101137609	OHMCGSWCNDVWLE-BIIVOSGPSA-N	208.710	2.905	50	40	BFGB	
C/C(=N\NC(=O)c1ccncc1)C1CCCCC1	6302954	GHVVDNMCLNZAHT-LFIBNONCSA-N	245.326	2.768	50	40	BFGB	
Cc1c(Cl)cc(C(=O)O)cc1SC#N	26508369	OTZAOJSEQZICKH-UHFFFAOYSA-N	227.672	2.920	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc(OC)c(OC)c1	71423522	WZDRLPROZUKLET-SECBINFHSA-N	242.702	2.904	50	40	BFGB	
CCC(CC)(CN)CCBr	1654078	XVJGZBCCNXYJCD-UHFFFAOYSA-N	208.143	2.537	50	40	BFGB	
BrC[C@@H]1CCCN(CC2CC2)C1	87757170	PKQGKSNKPYNLIR-JTQLQIEISA-N	232.165	2.503	50	40	BFGB	
CC1(C)C[C@H]2C=C(C=O)[C@@]3(C=O)C[C@]3(C)[C@@H]2C1	100082530	PJAAESPGJOSQGZ-LTZCYQRMSA-N	232.323	2.773	50	40	BFGB	
CCN(N=C(C)C)C(=O)OC(C)(C)C	15785378	NQMCRMCZFGTUDD-UHFFFAOYSA-N	200.282	2.639	50	40	BFGB	in-vitro
C[C@H](Br)Cc1ccc2c(c1)OCO2	2042338	HRTRXPZBWBBZNP-ZETCQYMHSA-N	243.100	2.741	50	40	BFGB	
CCCC/C=N/NC(=O)c1ccc(N(C)C)cc1	4409887	KLUVXYDMFGTIKK-RVDMUPIBSA-N	247.342	2.658	50	40	BFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1cccc(F)c1	5671247	HUJBBKJMBOPCFW-CEYARYBBSA-N	244.269	2.508	50	40	BFGB	
Cc1cc(C(=O)N/N=C2/C[C@H]3CC[C@@H]2C3)cs1	16973571	JOZQPCNFHUMXHF-KJMGFJKXSA-N	248.351	2.962	50	40	BFGB	
CC(C)C(=O)/C(C#N)=C/c1cccc([N+](=O)[O-])c1	44027282	PGSVPCYHLFILPN-IZZDOVSWSA-N	244.250	2.727	50	40	BFGB	
N#C/C(=C\O)c1nc2cc(Cl)ccc2o1	100930395	DNGQBHOVQMXMEK-AATRIKPKSA-N	220.615	2.904	50	40	BFGB	
CC1(C)[C@@H]2CC[C@]1(CBr)[C@@H](O)C2	108340976	RBBMBWFNBKIZND-WEDXCCLWSA-N	233.149	2.569	50	40	BFGB	
O=C(Cl)c1cc([N+](=O)[O-])c(Cl)cc1F	142253403	NXFZIWHSAARVQX-UHFFFAOYSA-N	238.001	2.766	50	40	BFGB	
C[C@H](Br)C(=O)c1ccnc(Cl)c1	199751759	SYDSFMHWCSBTRL-YFKPBYRVSA-N	248.507	2.701	50	40	BFGB	
O=C(CCl)c1cccc2c1CCCC2	4696640	KGSNAHSLLWXRAC-UHFFFAOYSA-N	208.688	2.987	50	40	BFGB	
O=C1c2ccccc2SC[C@@H]1Br	6928018	OANMZAJUKVSPDC-ZETCQYMHSA-N	243.125	2.739	50	40	BFGB	
OOC1(OOC2(O)CCCCC2)CCCCC1	95817518	UICXTANXZJJIBC-UHFFFAOYSA-N	246.303	2.737	50	40	BFGB	
BrC/C=C/C=C/CBr	100256118	UPCQGURPQYFOKT-ZPUQHVIOSA-N	239.938	2.889	50	40	BFGB	
CN(C)c1ccc(Cl)cc1NC(=O)CCl	3888601	PQNBMJMKWPZFCQ-UHFFFAOYSA-N	247.125	2.583	50	40	BFGB	
CC(=O)N(/C=C/C=C(C#N)C#N)c1ccccc1	5159793	DEHURSMVDCYOCA-WEVVVXLNSA-N	237.262	2.527	50	40	BFGB	
Cc1ccc(NC(=O)[C@H](C)Cl)cc1F	8264163	AQXCPHRXOYBRIA-ZETCQYMHSA-N	215.655	2.700	50	40	BFGB	in-vitro
CN(C(=O)CCCCl)C1CCCCC1	19257617	HQWFWBNJUPPCDU-UHFFFAOYSA-N	217.740	2.797	50	40	BFGB	
COc1ccc2[nH]c(C)c(C(=O)CCl)c2c1	527435	CDGIOGDQFFMQLJ-UHFFFAOYSA-N	237.686	2.906	50	40	BFGB	
C[C@@H](Oc1cccc(Cl)c1)C(=O)CCl	33464843	AXMKXLQKRQLFFG-SSDOTTSWSA-N	233.094	2.915	50	40	BFGB	
Cc1csc(NNC(=O)Nc2ccccc2)n1	1415126	XXWCVEGUTRGGAV-UHFFFAOYSA-N	248.311	2.600	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)c1ccc(C)s1	309176836	DBADGMDFWNJTFO-MDZDMXLPSA-N	235.308	2.917	50	40	BFGB	
O=Cc1ccc2c(c1C(=O)Cl)CCCC2	228962408	GNRGKDTUIQUZBO-UHFFFAOYSA-N	222.671	2.757	50	40	BFGB	
O=C(Cl)c1cccc(OC(F)F)c1	20475845	SHFZPCPNQWWGPU-UHFFFAOYSA-N	206.575	2.667	50	40	BFGB	
O=C(O)CCCC[C]1CCSS1	1560405187	HRADVUYCSXNPGE-UHFFFAOYSA-N	205.324	2.948	50	40	BFGB	
O=C(NN=C1CCCC1)Nc1ccccc1	497948	FJFDPELLDDJVOA-UHFFFAOYSA-N	217.272	2.738	50	40	BFGB	
CCOC(=O)C(C#N)=Cc1ccccc1Cl	1875409279	AZFSDKAHBOTEAG-UHFFFAOYSA-N	235.670	2.810	50	40	BFGB	
CCCCCCC(=O)N/N=C/c1ccco1	1956818	WWZAJGFIOZFVLA-JLHYYAGUSA-N	222.288	2.700	50	40	BFGB	
Cc1ccc2c(c1)CCCN2C(=O)[C@@H](C)Cl	19471096	XYMLYRHCLHATCD-SNVBAGLBSA-N	237.730	2.902	50	40	BFGB	
O=C(CCl)N1CCC[C@@H]1c1ccccc1	36134303	KBQFZQRLMFTBOY-LLVKDONJSA-N	223.703	2.589	50	40	BFGB	
COc1cc(Cl)c(/C=C/C#N)cc1OC	107771314	LDOBKEVMCKVUAE-ONEGZZNKSA-N	223.659	2.894	50	40	BFGB	
C[C@]12CC[C@H](COC1)[C@@]2(C)CBr	4227980	BHVJSNVANTXHSG-KXUCPTDWSA-N	233.149	2.834	50	40	BFGB	
O=S1(=O)CCC[C@@H]1[C@H](Cl)c1ccccc1	5052545	AKLDOPKGYNASAB-GHMZBOCLSA-N	244.743	2.544	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@@H]2Br	3865943	OBHCEFJZOKLDIF-DRTBCBBWSA-N	247.132	2.661	50	40	BFGB	
BrCCCC1CCOCC1	60712653	ISUJTGWHAHQUFJ-UHFFFAOYSA-N	207.111	2.588	50	40	BFGB	in-vitro
CN(C(=O)CCl)c1cccc2c(O)cccc12	199754849	CWIHIURSQWLLRR-UHFFFAOYSA-N	249.697	2.747	50	40	BFGB	
CC(C)[C@@H](NC(=O)CCl)c1cccs1	12505014	YURBAVIBUICOTL-SNVBAGLBSA-N	231.748	2.800	50	40	BFGB	
COc1cccc2c1CCC(C=O)=C2Cl	38975770	KXXARPPBIIPLDM-UHFFFAOYSA-N	222.671	2.790	50	40	BFGB	
FC(F)(F)c1cccnc1CBr	95705275	UOMAJSOXDNTBRV-UHFFFAOYSA-N	240.022	2.995	50	40	BFGB	
FC1(F)CC[C@@H](CI)C1	117709357	OGPZYCIKOMJVFP-RXMQYKEDSA-N	246.038	2.857	50	40	BFGB	
Cc1ccc(CN(C(=O)CCl)C(C)C)cc1	33468852	KFXWBULZNLUGBY-UHFFFAOYSA-N	239.746	2.971	50	40	BFGB	
N#CC(C#N)=Cc1cccc(C=C(C#N)C#N)c1	1609709	PFCGCDSJVMFOLS-UHFFFAOYSA-N	230.230	2.548	50	40	BFGB	
N#CC1=C2CCCCCC[C@@H]2SC1=O	6317349	JYHNJMVOSVIZEO-JTQLQIEISA-N	207.298	2.803	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1cc(F)ccc1F	9428936	ZYPOIIOIZHDLCF-RXMQYKEDSA-N	219.618	2.531	50	40	BFGB	in-vitro
CN(CCCBr)c1ccccc1	40989671	YWVIBERYLABRBJ-UHFFFAOYSA-N	228.133	2.908	50	40	BFGB	
N#CC1=C(C(=O)Nc2cccc(F)c2)CCC1	89775150	QPDAWRGMGSVUPP-UHFFFAOYSA-N	230.242	2.768	50	40	BFGB	
Cc1ccc(C(=O)[C@@H](C)Cl)c(F)c1	238426388	MADBSOXQQASNNC-SSDOTTSWSA-N	200.640	2.944	50	40	BFGB	
O=C(CCl)c1cnc(N2CCCCC2)s1	3394233	IPYQAOGETYUVCW-UHFFFAOYSA-N	244.747	2.555	50	40	BFGB	
CC(=O)Oc1ccc([C@@H]2CCC=C(C#N)O2)cc1	4267452	HQYFNGWIPRVTCC-AWEZNQCLSA-N	243.262	2.871	50	40	BFGB	biogenic
CC1=C(C)CP(=O)(OCCCl)C1	5416000	XPSOQOZYXOQNEI-UHFFFAOYSA-N	208.625	2.870	50	40	BFGB	
C[C@@H](c1cccs1)N(C)C(=O)CCl	37654214	JPZAERLZOSGDED-ZETCQYMHSA-N	217.721	2.506	50	40	BFGB	
O=C(Cl)c1cc([N+](=O)[O-])c(F)cc1Cl	2540185	IHEPGSXLLLUYDW-UHFFFAOYSA-N	238.001	2.766	50	40	BFGB	in-vitro
COc1cc(OC)c(C(C)=O)cc1CCl	3316853	ZGZUKYICYIDQLB-UHFFFAOYSA-N	228.675	2.645	50	40	BFGB	
O=C(N/N=C\c1ccco1)c1ccc(Cl)cc1	5208565	UNVOTDGPNAVDAJ-ZSOIEALJSA-N	248.669	2.697	50	40	BFGB	
CCC1(CC)C(=O)OC(=O)C1(CC)CC	73403217	APJHATHBVZSBMD-UHFFFAOYSA-N	212.289	2.683	50	40	BFGB	
Cc1cc(F)ccc1C(=O)[C@@H](C)Cl	238426699	PSBNMJSQGUIZKG-SSDOTTSWSA-N	200.640	2.944	50	40	BFGB	
CCN(CC)c1cc(C)c(CCl)cn1	72223251	QNNZJRNKTXVTOG-UHFFFAOYSA-N	212.724	2.975	50	40	BFGB	
Cc1cc(C(=O)CCl)c(F)cc1F	74942815	DVNXCBMHUAQZLS-UHFFFAOYSA-N	204.603	2.695	50	40	BFGB	in-vitro
COc1cccc(C)c1/C=C/C(=O)Cl	20154489	YOMDMCYULVLIGA-VOTSOKGWSA-N	210.660	2.782	50	40	BFGB	
Fc1cc(F)cc(C#CCBr)c1	95631894	LPHGHTQWYRQZAA-UHFFFAOYSA-N	231.039	2.711	50	40	BFGB	
CC1(C)[C@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CCl	302414	FLUMHSYXYCELKC-YGOYTEALSA-N	229.751	2.556	50	40	BFGB	
CC(C)[C@H](NC(=O)CCl)c1cccs1	12505015	YURBAVIBUICOTL-JTQLQIEISA-N	231.748	2.800	50	40	BFGB	
CC[C@H](Oc1ccccc1OC)C(=O)Cl	36720650	MXJNSOWUYKCMMO-QMMMGPOBSA-N	228.675	2.618	50	40	BFGB	
CC(C)=CCCC1=CC[C@@H]2C(=O)OC(=O)[C@H]2C1	100128637	USHLVOCVVSTOQO-RYUDHWBXSA-N	234.295	2.769	50	40	BFGB	
CCCCCC[C@H](C)OC[C@@H](O)CCl	5418389	GGXHMHHWCRXTHN-QWRGUYRKSA-N	222.756	2.962	50	40	BFGB	
CCC[C@@H](NC(=O)CCl)c1ccccc1	3349699	FIVPETANTXQLAD-LLVKDONJSA-N	225.719	2.883	50	40	BFGB	in-vitro
[C-]#[N+]CCc1ccc(Br)cc1	95698339	OAAQPFXPFMGDAT-UHFFFAOYSA-N	210.074	2.911	50	40	BFGB	
O=C(Cl)C[C@@H](C(=O)Cl)c1ccccc1	100687950	ZPUAMJJTEZWBOH-MRVPVSSYSA-N	231.078	2.691	50	40	BFGB	
COP(=O)(OC)/C(C#N)=C/c1ccco1	1634988	NALAANVQJDXOOG-RMKNXTFCSA-N	227.156	2.630	50	40	BFGB	
CCN(CCCl)Cc1ccc(OC)cc1	1718318	COFWRQZOICAFEE-UHFFFAOYSA-N	227.735	2.756	50	40	BFGB	
O=C(N/N=C/c1ccsc1)c1ccc(F)cc1	3525095	RYGZJXQEPXXDQF-VGOFMYFVSA-N	248.282	2.651	50	40	BFGB	
CC/C(C)=C(/C#N)C(=O)NC1CCCCC1	16970417	OROHSZTVNKHYQY-BENRWUELSA-N	220.316	2.685	50	40	BFGB	
Cl[C@@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2	37263078	KFHNXKUXFXKYJB-JHJVBQTASA-N	221.731	2.888	50	40	BFGB	
CC(C)=CC1=C(C)[C@@H](C)[C@@H]2C(=O)OC(=O)[C@@H]2C1	70669865	LCMBVMZMOYGTMT-JLLWLGSASA-N	234.295	2.625	50	40	BFGB	biogenic
CC(C)O[Si](C)(OC(C)C)OC(C)C	169898060	HLXDKGBELJJMHR-UHFFFAOYSA-N	220.385	2.830	50	40	BFGB	
CCC[C@@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)C)c21	614384	LSTGFVFNROXHRA-MRVPVSSYSA-N	246.314	2.503	50	40	BFGB	
Cc1ccc(NC(=O)[C@@H](C)Cl)cc1F	8264156	AQXCPHRXOYBRIA-SSDOTTSWSA-N	215.655	2.700	50	40	BFGB	in-vitro
C=CCc1cc(C=C(C#N)C#N)cc(OC)c1O	1639057	IWZKWPIPONOHQI-UHFFFAOYSA-N	240.262	2.560	50	40	BFGB	
CCCCC(=O)N/N=C/c1ccccc1Cl	1702880	RDWHPZDFSOJAKF-NTEUORMPSA-N	238.718	2.980	50	40	BFGB	
CSc1cccc(NC(=O)[C@@H](C)Cl)c1	19487688	MNUYFLFMKCNQQM-SSDOTTSWSA-N	229.732	2.974	50	40	BFGB	in-vitro
COc1cccc2cc(C(=O)Cl)oc12	48980990	CESLGDUYYAIOPZ-UHFFFAOYSA-N	210.616	2.820	50	40	BFGB	
BrCc1ccc2c(c1)OCC2	238006265	CXRBDDZRMVOQNU-UHFFFAOYSA-N	213.074	2.516	50	40	BFGB	
N#CC(C#N)=C1C(=O)c2cccc3cccc1c23	497930	WYZUQHDRPNJOCG-UHFFFAOYSA-N	230.226	2.837	50	40	BFGB	
O[C@H](CCl)CCCCCC[C@H](O)CCl	1604106	ZNYUYLSLWABHBG-UWVGGRQHSA-N	243.174	2.526	50	40	BFGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccccc2O)C1	12588053	IWTGDFWCCOIOKE-YMQUWAGYSA-N	246.310	2.688	50	40	BFGB	
CCCCC(=O)N/N=C\c1ccccc1OCC	31670236	QQNRGTHEPQYJIP-PTNGSMBKSA-N	248.326	2.726	50	40	BFGB	
CCOC(=N)CCCCBr	90627717	CSSWJAKGERAKPW-UHFFFAOYSA-N	208.099	2.565	50	40	BFGB	in-vitro
Fc1cc(CCl)c(Br)cn1	238588246	CIIKBTPSMFRWGK-UHFFFAOYSA-N	224.460	2.722	50	40	BFGB	
C[C@@]1(Cc2ccccc2)OC[C@H](CCl)O1	1674907	FUJNHUPEHSGJQK-NWDGAFQWSA-N	226.703	2.600	50	40	BFGB	
C[C@@]1(CCc2ccccc2)OC[C@@H](CCl)O1	1686267	WYVLZWLTRHLJRK-CHWSQXEVSA-N	240.730	2.990	50	40	BFGB	
CCCC[C@@H](CC)COC[C@H](O)CCl	16637690	VQMJOZXWGXOUPB-GHMZBOCLSA-N	222.756	2.819	50	40	BFGB	
CCOc1ccc(/C=C/C(=O)Cl)cc1OC	26470316	JNMCPZXVJYKYMO-FNORWQNLSA-N	240.686	2.873	50	40	BFGB	
O=C(Cl)c1cc2[nH]cnc2cc1Cl	73740240	DDYVAGULIIEBOT-UHFFFAOYSA-N	215.039	2.595	50	40	BFGB	
Cc1c(F)cc(C(=O)Cl)c(F)c1F	2509699	ULCKFJHKYFDQMT-UHFFFAOYSA-N	208.566	2.791	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1c(F)cccc1F	8324084	IACRTSGQFIYLQN-RXMQYKEDSA-N	219.618	2.531	50	40	BFGB	in-vitro
CCc1ccc([C@@H](Cl)C(=O)OC)cc1	50977724	RGBYLJDRMKSRMN-SNVBAGLBSA-N	212.676	2.702	50	40	BFGB	
N#C[C@@H](O)c1cccc(Cl)c1Cl	59261847	VMBJRKFGAMINPT-SSDOTTSWSA-N	202.040	2.550	50	40	BFGB	
Cc1cn2c(C(=O)Cl)c(Cl)nc2s1	256054673	XHRIMVIZWHYLGV-UHFFFAOYSA-N	235.095	2.737	50	40	BFGB	
CCCCCCNC(=O)/C(C#N)=C/c1ccco1	2744197	UXAOFZSRFLBRAN-ZRDIBKRKSA-N	246.310	2.883	50	40	BFGB	
O=C(N/N=C\C=C\c1ccccc1)c1ccco1	17420998	PROWJSOMZWKJHN-VVGDYKIKSA-N	240.262	2.709	50	40	BFGB	
CO[Si](C)(C)c1ccnc(-c2ccccc2)c1	2362804939	VYMDQZGHQAECNK-UHFFFAOYSA-N	243.382	2.807	50	40	BFGB	
C=C1CC[C@](C)(CO)[C@]1(C)CBr	1448511	JVPCPWZJZTZEOW-NXEZZACHSA-N	233.149	2.736	50	40	BFGB	
C#CC(CC)(CC)N/C=C(/C#N)C(=O)C(C)(C)C	5192254	VQRUHSRQHQMXSO-QXMHVHEDSA-N	246.354	2.791	50	40	BFGB	
[C-]#[N+][C@H](Cc1ccccc1)C(=O)N1CCCCC1	100263212	UFZUARSQMXJQBD-CQSZACIVSA-N	242.322	2.529	50	40	BFGB	
C/C(=N\NC(=O)COc1ccccc1)C(C)(C)C	4656885	YROYUCRUMRICQP-RVDMUPIBSA-N	248.326	2.604	50	40	BFGB	
N#CSc1ccc(C(=O)O)cc1Cl	57351639	KFJLTIIZJIOEDU-UHFFFAOYSA-N	213.645	2.611	50	40	BFGB	
Cc1ccc(-c2nc(CCl)n[nH]2)cc1	85385493	NRUDWQRMFQORAK-UHFFFAOYSA-N	207.664	2.519	50	40	BFGB	
N#CC(C#N)=CNc1nc2ccccc2s1	93627	PVDRVUQHKDBRKC-UHFFFAOYSA-N	226.264	2.639	50	40	BFGB	
BrCc1cccc2c1OCC2	88190243	MYQAQBAGQUQYET-UHFFFAOYSA-N	213.074	2.516	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccc(-c2c[nH]cn2)cc1	37007863	IXYXTMLQFKAAED-QMMMGPOBSA-N	249.701	2.643	50	40	BFGB	in-vitro
CC(C)C(=O)N/N=C/c1c(F)cccc1Cl	46426232	MTJZIVAHRURGDH-MKMNVTDBSA-N	242.681	2.585	50	40	BFGB	
BrC[C@H]1CC[C@@H](c2ccccn2)O1	198735861	MMELHAOKCHLRPM-SCZZXKLOSA-N	242.116	2.697	50	40	BFGB	
CCCCC/C=N/NC(=O)c1ccccc1O	5297307	NDHATEHBDOETPN-GXDHUFHOSA-N	234.299	2.688	50	40	BFGB	
Fc1ccc(C#CCBr)cc1F	95631851	JPPVOXUXLKCADY-UHFFFAOYSA-N	231.039	2.711	50	40	BFGB	
CO[C@H]1C[C@H](C)[C@@H](Cl)[C@@H](C)[C@H]1/C=C\C(=O)O	104133235	GEMGNGRIAVCBBC-NOCKTUNLSA-N	246.734	2.542	50	40	BFGB	
ClCc1cc2c(cc1Cl)OCO2	155408	APJKOQPCHGXQBI-UHFFFAOYSA-N	205.040	2.808	50	40	BFGB	in-vitro
CSc1ccc(NC(=O)[C@@H](C)Cl)cc1	19423661	WCZJAFXSBVKDKF-SSDOTTSWSA-N	229.732	2.974	50	40	BFGB	in-vitro
O=C(Cl)c1cc(Cl)cc2nc[nH]c12	73633846	FDSWBWAEFOGCLZ-UHFFFAOYSA-N	215.039	2.595	50	40	BFGB	
C[C@@H](Cl)C(=O)c1cccc(N(C)C)c1	307631264	XZSNBQXSNPMFNO-MRVPVSSYSA-N	211.692	2.563	50	40	BFGB	
N#CSc1c(Cl)cc(C(N)=O)cc1Cl	45919851	DSKCNMMYXITYMQ-UHFFFAOYSA-N	247.106	2.665	50	40	BFGB	
O=C(Cl)c1cccc(CBr)c1	34303214	ZXXKDSMIGAOBGJ-UHFFFAOYSA-N	233.492	2.961	50	40	BFGB	
CCN(CC)CCCCBr	40989638	YYJVLJTVSBEAKJ-UHFFFAOYSA-N	208.143	2.503	50	40	BFGB	
COc1cccc2c(C(=O)Cl)c[nH]c12	45792868	QYFAKXJYDPVIGR-UHFFFAOYSA-N	209.632	2.556	50	40	BFGB	
CCOC(=O)/C(C#N)=C/Nc1ccccc1CC	18989628	OHYSSIQGPCWCII-ZRDIBKRKSA-N	244.294	2.631	50	40	BFGB	in-vitro
Oc1ccccc1OCCCCBr	43465070	IBHNPUDUCSLLGE-UHFFFAOYSA-N	245.116	2.946	50	40	BFGB	
COC(=O)c1ccc([C@H]2C[C@@H]2Cl)cc1	97438996	CLVKCKHVLAARKJ-ZJUUUORDSA-N	210.660	2.568	50	40	BFGB	
Clc1cnc2c(n1)CCC[C@H]2Cl	1536219803	FRFYGQBIVVBERF-RXMQYKEDSA-N	203.072	2.746	50	40	BFGB	
C[C@H](Cl)C(=O)c1cccc(N(C)C)c1	307631265	XZSNBQXSNPMFNO-QMMMGPOBSA-N	211.692	2.563	50	40	BFGB	
C[C@@H](CCl)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	1689490	BMGJFQMEEAEQAG-HHHUOAJASA-N	213.752	2.592	50	40	BFGB	
COc1ccc(NC(=O)CCCl)cc1Cl	5745102	YVVAEZYWJZHVSC-UHFFFAOYSA-N	248.109	2.916	50	40	BFGB	
Oc1cc(CCl)cc(C(F)(F)F)n1	95761999	KCSQLDZDMCQDEB-UHFFFAOYSA-N	211.570	2.545	50	40	BFGB	
Br[C@H]1COC2(CCCCC2)C1	215961983	FHXBHZFDEBUFDK-MRVPVSSYSA-N	219.122	2.873	50	40	BFGB	
CC(=O)c1cc(Cl)cc(CCl)c1O	3267981	WWNJCGKNKZXVIS-UHFFFAOYSA-N	219.067	2.987	50	40	BFGB	in-vitro
C/C(=N\NC(=O)Cc1ccccc1)C(C)(C)C	5725293	BZSOLMXHPCWTTL-RVDMUPIBSA-N	232.327	2.767	50	40	BFGB	
CCC/C(=N\NC(=O)C(C)C)c1ccccc1	14923371	OJAHNRPZSOSJHA-FYWRMAATSA-N	232.327	2.963	50	40	BFGB	
Fc1cc(CCl)cc(C(F)(F)F)n1	95761998	RBNRZWPVZNBPCN-UHFFFAOYSA-N	213.561	2.978	50	40	BFGB	
CCCCCC[C@@H](C)OC[C@H](O)CCl	2572891	GGXHMHHWCRXTHN-GHMZBOCLSA-N	222.756	2.962	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(CC(=O)O)[C@H](Cl)C2	4411239	OXJNTOQBZAXOPC-SOCHQFKDSA-N	216.708	2.895	50	40	BFGB	in-vitro
O=[S@@]1Nc2cc3ccccc3cc2S1	5809716	GNFAVUZDAKAZJV-CQSZACIVSA-N	221.306	2.936	50	40	BFGB	
Cc1cc(C)c2cc(CCCl)c(=O)[nH]c2c1	5592242	CBQGNOUAPCQMCI-UHFFFAOYSA-N	235.714	2.926	50	40	BFGB	
Cc1ccccc1CN(C)C(=O)[C@H](C)Cl	35206770	XRYCWYJUPYMVCG-JTQLQIEISA-N	225.719	2.581	50	40	BFGB	in-vitro
CC[C@H]1c2ccsc2CCN1C(=O)CCl	37497100	ZYOBJILPBCUEEZ-VIFPVBQESA-N	243.759	2.823	50	40	BFGB	in-vitro
CCCCCC[C@H]1OC[C@@H](CCl)O1	1674867	MQNUIGUARMRLPC-ZJUUUORDSA-N	206.713	2.937	50	40	BFGB	
CC1(C)[C@H]2CC[C@](C)(C2)[C@@H]1OC(=O)CCl	4727135	RVNRDQPWNHCQRY-MKPLZMMCSA-N	230.735	2.983	50	40	BFGB	
O=C/C(=C/Br)c1ccccc1	71255670	DAVINASGGHJHOC-TWGQIWQCSA-N	211.058	2.621	50	40	BFGB	
O=C(Cl)Oc1c(F)ccc(F)c1F	2362803671	VVZYPYQOHIYQHS-UHFFFAOYSA-N	210.538	2.842	50	40	BFGB	
Cc1nc(Br)ccc1CCl	72223988	SXCIMAOSPFEAAJ-UHFFFAOYSA-N	220.497	2.891	50	40	BFGB	
C=C1CC(C(=O)N/N=C/C=C/c2ccccc2)C1	408718396	WUSPXHHEFYIYOP-ZCPHBQKFSA-N	240.306	2.768	50	40	BFGB	
N#Cc1ccccc1[C@@H](Br)C#N	4137231	ADCRONPNHCJPFH-VIFPVBQESA-N	221.057	2.518	50	40	BFGB	
CC1(C)C[C@H]2C=C(C=O)[C@]3(C=O)C[C@]3(C)[C@@H]2C1	5574023	PJAAESPGJOSQGZ-PZTHBURQSA-N	232.323	2.773	50	40	BFGB	
O=C(CCl)N1CCC[C@@H](c2ccccc2)C1	13566709	UBQZJYWBYCNCJV-GFCCVEGCSA-N	237.730	2.631	50	40	BFGB	
Fc1ccc(-c2noc(CCl)n2)cc1F	36888209	VPOUDELZMHHFBV-UHFFFAOYSA-N	230.601	2.754	50	40	BFGB	in-vitro
F[C@@H](Br)[C@]1(F)C=CC(F)(F)O1	68591041	LYYPBEBABNTTQQ-DMTCNVIQSA-N	234.974	2.522	50	40	BFGB	
CC(C)(C)OC(=O)/C(C#N)=C/c1ccc(O)cc1	585656301	ATRNSFOFXSREED-DHZHZOJOSA-N	245.278	2.641	50	40	BFGB	
CC1(C(=O)CBr)CCCC1	39055405	NJHBEJLMTNLOSL-UHFFFAOYSA-N	205.095	2.531	50	40	BFGB	
Fc1cc(-c2noc(CCl)n2)cc(F)c1F	43391591	XUNPLDOMUGQLBV-UHFFFAOYSA-N	248.591	2.893	50	40	BFGB	in-vitro
O=C(CCl)N1CCC[C@H](c2ccccc2)C1	13566710	UBQZJYWBYCNCJV-LBPRGKRZSA-N	237.730	2.631	50	40	BFGB	
CC(C)(C)OC(=O)/C(C#N)=C\c1ccc(O)cc1	585656302	ATRNSFOFXSREED-FLIBITNWSA-N	245.278	2.641	50	40	BFGB	
COc1ccc(-c2noc(CCl)n2)cc1F	45893591	DTDNJYDTAJJWCH-UHFFFAOYSA-N	242.637	2.623	50	40	BFGB	
Cc1ccc(OC(=O)OCCl)cc1	160218	JIJGAYFHLLWZJM-UHFFFAOYSA-N	200.621	2.707	50	40	BFGB	
CC1CCC(OC(=O)CBr)CC1	1598920	DMUQRRGWKWYGMP-UHFFFAOYSA-N	235.121	2.503	50	40	BFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1ccc(F)cc1	6332123	SGLWKWOLBKMRQQ-ANWMDLNMSA-N	244.269	2.508	50	40	BFGB	
CCOc1ccc(/C=C\C(=O)Cl)cc1	45009285	KNFAZBCJDBLHQN-YVMONPNESA-N	210.660	2.864	50	40	BFGB	
O=[N+]([O-])c1cccc(Cl)c1CCl	59354384	JSBDLOYGWAITKA-UHFFFAOYSA-N	206.028	2.987	50	40	BFGB	in-vitro
CCn1nc(CCl)cc1C(F)(F)F	72209583	YWMSYYKPLKFWHQ-UHFFFAOYSA-N	212.602	2.661	50	40	BFGB	
CC(=O)NN(c1ccccc1)c1ccccc1	174990	LHEUUDOEDQCJGI-UHFFFAOYSA-N	226.279	2.876	50	40	BFGB	
O=C(N/N=C\c1ccccc1Cl)c1ccco1	4963362	VMXNPJWOQGVIJM-ZSOIEALJSA-N	248.669	2.697	50	40	BFGB	
O=C(Cl)c1c(F)cc(F)c(F)c1F	2585572	UYKQDVFTGGRFEQ-UHFFFAOYSA-N	212.529	2.622	50	40	BFGB	
Cc1c(Cl)ccc2c1N[S@](=O)S2	6483618	SYRJFQXNPNPIMD-LBPRGKRZSA-N	219.718	2.745	50	40	BFGB	
Fc1cccc(F)c1Cn1cncc1CCl	409423425	QYRPWVBYEWBMDJ-UHFFFAOYSA-N	242.656	2.948	50	40	BFGB	
C/C(=N\NC(=O)C1CC1)c1ccc(Cl)s1	5164125	FNEUCGQEDKQGGW-WUXMJOGZSA-N	242.731	2.652	50	40	BFGB	
CC(=O)NN=C1CCC(c2ccccc2)CC1	5383085	UOZVBTYHUKMYLY-UHFFFAOYSA-N	230.311	2.836	50	40	BFGB	
COP(=O)(OC)/C(C#N)=C\c1ccco1	17220833	NALAANVQJDXOOG-TWGQIWQCSA-N	227.156	2.630	50	40	BFGB	
O=c1ccc2ccc(CBr)cc2o1	1653780	PIRJLYFMCACMRZ-UHFFFAOYSA-N	239.068	2.688	50	40	BFGB	
CCCN(C(=O)CCl)C1=CCCC1	4206024	MVHSHVMZLIJLCI-UHFFFAOYSA-N	201.697	2.532	50	40	BFGB	
O=CC(=C\c1ccco1)/C(C=O)=C\c1ccco1	6512983	ZUNSZDDFBZNPMB-NTLHZVPKSA-N	242.230	2.737	50	40	BFGB	
CCOc1c(F)cc(C(=O)Cl)cc1F	38529872	HOTODZHRJLEUAJ-UHFFFAOYSA-N	220.602	2.743	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1cc(OC)ccc1OC	71423556	NPJWCSGTGJALFC-SNVBAGLBSA-N	242.702	2.904	50	40	BFGB	
CC(C)=CCCC1=CC[C@@H]2C(=O)OC(=O)[C@@H]2C1	100128634	USHLVOCVVSTOQO-NWDGAFQWSA-N	234.295	2.769	50	40	BFGB	
N#CC(C#N)=C1CSc2ccccc2N1	6346937	HVGJGMAEEKGAIS-UHFFFAOYSA-N	213.265	2.505	50	40	BFGB	
FC(F)(Br)CCBr	1847397	PRAYGQDVLDHWHA-UHFFFAOYSA-N	237.869	2.759	50	40	BFGB	
Cc1ccc(/C=N/NC(=O)NC2CCCCC2)o1	3377822	KVKZMMMEADXVGP-NTEUORMPSA-N	249.314	2.554	50	40	BFGB	
Cc1ccc(C2=CSC(=C(C#N)C#N)N2)cc1	16292158	KFMVCADNUYUGMT-UHFFFAOYSA-N	239.303	2.889	50	40	BFGB	
N#CSc1ccc(N)cc1C(F)(F)F	57327580	KIILQNMMXZFMNS-UHFFFAOYSA-N	218.203	2.861	50	40	BFGB	
CCCC[C@H](CC)COC(=O)CSC#N	1576856	OIUMRZMNCUVNHX-JTQLQIEISA-N	229.345	2.960	50	40	BFGB	
ClCc1ccc2c(c1Cl)OCCO2	40544182	BWISFDZMHGHMAB-UHFFFAOYSA-N	219.067	2.850	50	40	BFGB	
CC(C)c1noc([C@@H](C)Br)n1	95097279	VDCYQLITTXPSLL-RXMQYKEDSA-N	219.082	2.649	50	40	BFGB	
O=C(CBr)c1cccc(Cl)c1O	2511021	DBPZZDSMMCIMQB-UHFFFAOYSA-N	249.491	2.623	50	40	BFGB	
CCCN(Cc1ccc(C)cc1)C(=O)CCl	8428173	GPHLNJCBIUGVPE-UHFFFAOYSA-N	239.746	2.972	50	40	BFGB	
N#C[C@H](O)c1cccc(Cl)c1Cl	59261851	VMBJRKFGAMINPT-ZETCQYMHSA-N	202.040	2.550	50	40	BFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccc(Cl)cc1	33361078	KPPFDRZNZOOJGU-XFFZJAGNSA-N	248.713	2.772	50	40	BFGB	
FC(F)(F)C(Br)C(F)(F)F	95635152	JNUYTCRSXFUQHQ-UHFFFAOYSA-N	230.933	2.875	50	40	BFGB	in-vitro
O=C(Cl)c1cc2ccccc2cc1O	100080428	RLCZBUOZNFAZLK-UHFFFAOYSA-N	206.628	2.924	50	40	BFGB	
BrCc1cccc(-c2ncon2)c1	228942089	WXBZIZTXUKAFLG-UHFFFAOYSA-N	239.072	2.632	50	40	BFGB	
CCC(=O)NNc1nc(-c2ccccc2)cs1	1415027	BVOAAAJGCIWSKF-UHFFFAOYSA-N	247.323	2.663	50	40	BFGB	
Cc1[nH]c2ccc(C(=O)O)cc2c1CCCl	6744739	MTVVDWOMOVTFJO-UHFFFAOYSA-N	237.686	2.956	50	40	BFGB	
C/C(=N\NC(=O)c1ccoc1C)c1ccc(C)o1	16973180	QGRUBVOYCMMHHV-NTEUORMPSA-N	246.266	2.643	50	40	BFGB	
COc1ccc(OC)c(C(=O)[C@H](C)Cl)c1	19435983	HCVAOHYTOKNBLC-ZETCQYMHSA-N	228.675	2.514	50	40	BFGB	
CCOP(=O)(CBr)OCC	32181901	DOXOAUCOLUGCQX-UHFFFAOYSA-N	231.026	2.605	50	40	BFGB	in-vitro
COc1ccccc1C(=O)[C@@H](C)Br	57665839	FPLIHNQJYDCWBM-SSDOTTSWSA-N	243.100	2.661	50	40	BFGB	
C[C@@H]1CCCC/C1=N/NC(=O)c1ccccc1	103056917	AFLUFEWWPWSSRT-XGOYLDHDSA-N	230.311	2.983	50	40	BFGB	
C[C@@H](Cl)C(=O)c1ccc(C#N)c(F)c1	306496468	DPGAPHQQRFGPMQ-ZCFIWIBFSA-N	211.623	2.507	50	40	BFGB	
N#CC(C#N)=Cc1cnc(N2CCCCC2)s1	1406094	HDFXTWNIBWWEJF-UHFFFAOYSA-N	244.323	2.564	50	40	BFGB	
Cc1ccc(-c2nc(CCl)no2)cc1F	20285291	QWORMBRLZMRGRT-UHFFFAOYSA-N	226.638	2.923	50	40	BFGB	
COC(=C(C#N)C#N)c1ccc(Cl)cc1	32106057	RSNVAKYRWIAILY-UHFFFAOYSA-N	218.643	2.745	50	40	BFGB	
CC(=O)Oc1ccccc1CBr	39204480	RHZMCEFGRRLLAP-UHFFFAOYSA-N	229.073	2.507	50	40	BFGB	in-vitro
CC(C)c1ccc(CNC(=O)CCl)cc1	41736141	BATFMWDXGWDLCM-UHFFFAOYSA-N	225.719	2.665	50	40	BFGB	
COc1ccc(C(F)F)c(CCl)n1	238355626	NNHDNXPSSJPSBT-UHFFFAOYSA-N	207.607	2.767	50	40	BFGB	
CN(C)/C=C(\C=O)c1cccc(C(F)(F)F)c1	29763702	KFCUNHHGLYPCDW-JXMROGBWSA-N	243.228	2.807	50	40	BFGB	
Cn1ccn(C(F)(F)[C@H](F)Cl)c1=S	14162504	ACTGHZXMJLLJNN-BYPYZUCNSA-N	230.642	2.640	50	40	BFGB	
C/C(=N/NC(=O)c1ccccc1)c1ccc(C)o1	38206031	GKUSQZXHKIONFV-PTNGSMBKSA-N	242.278	2.742	50	40	BFGB	
O=C(Cl)CSCc1ccccc1	38478342	XBHCZTBLBGYYFR-UHFFFAOYSA-N	200.690	2.685	50	40	BFGB	
C[C@@H](Cl)C(=O)c1c(F)cccc1F	148179744	XAWJAMDXMQCRIB-RXMQYKEDSA-N	204.603	2.775	50	40	BFGB	
CCCCCCCOC[C@H](O)CCl	2035179	MSRSFQYAPZAUNP-SNVBAGLBSA-N	208.729	2.573	50	40	BFGB	
O=C(CCCl)c1cc(Cl)ccc1O	4545289	JPZZAJLJPRMUPV-UHFFFAOYSA-N	219.067	2.857	50	40	BFGB	
O=C(Cl)c1cc(Cl)ccc1[N+](=O)[O-]	22002419	ZYUYCUXFKGUOSP-UHFFFAOYSA-N	220.011	2.627	50	40	BFGB	in-vitro
O=C(Cl)OC(C(F)(F)F)C(F)(F)F	34307582	JZKWRGMHEXSNDT-UHFFFAOYSA-N	230.491	2.855	50	40	BFGB	
O=C(Nc1c(F)cccc1F)C(Cl)Cl	59608820	HAYPTQKXPBOPOO-UHFFFAOYSA-N	240.036	2.707	50	40	BFGB	
ClC1(Cl)C[C@H]1CBr	3132543	KEZQSZUPYPHPKE-VKHMYHEASA-N	203.894	2.575	50	40	BFGB	in-vitro
C[C@@H](Cl)C(=O)c1c[nH]c2ccccc12	3399225	ITKRRBMAMUDWMP-SSDOTTSWSA-N	207.660	2.978	50	40	BFGB	in-vitro
CCCOc1ccc(NC(=O)CCl)cc1	9189697	PNGQCMWVAGEMMZ-UHFFFAOYSA-N	227.691	2.653	50	40	BFGB	
C[C@H](Oc1cccc(Cl)c1)C(=O)CCl	33464844	AXMKXLQKRQLFFG-ZETCQYMHSA-N	233.094	2.915	50	40	BFGB	
ClCc1cn2cccc(Br)c2n1	142367607	CVWXKKCCBKPWKV-UHFFFAOYSA-N	245.507	2.836	50	40	BFGB	
CCO[C@H](O[Si](C)(C)C)C(F)(F)F	205153095	UNZULPIVPZKAQP-ZCFIWIBFSA-N	216.275	2.763	50	40	BFGB	
CCCCCC[C@H]1OC[C@H](CCl)O1	1674869	MQNUIGUARMRLPC-UWVGGRQHSA-N	206.713	2.937	50	40	BFGB	
C[C@@H](c1ccccc1)[C@@H]1OC[C@H](CCl)O1	1674909	GPDDRHYDAHHEMX-ZMLRMANQSA-N	226.703	2.770	50	40	BFGB	
CC(C)OC(=O)/C(C#N)=C\c1cccs1	4471074	NNCMRJYGOKMPOW-TWGQIWQCSA-N	221.281	2.607	50	40	BFGB	
C[C@H](Br)C(=O)c1cc(F)ccc1F	36903462	RVYATSSPBCRXII-YFKPBYRVSA-N	249.054	2.931	50	40	BFGB	
BrCc1cccc2ocnc12	89157303	HMNKDIONYRTFOV-UHFFFAOYSA-N	212.046	2.723	50	40	BFGB	
O=S(=O)(c1ccccc1)[C@H]1CCC[C@H]1Cl	1700458	XKJNXALIQQIRQB-MNOVXSKESA-N	244.743	2.620	50	40	BFGB	
O=[N+]([O-])c1ccc2nc(CCl)sc2c1	39019818	OJJRLTPAYKTPEI-UHFFFAOYSA-N	228.660	2.943	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(C#N)cc1	307749540	GZVGWVBMDACTNE-JTQLQIEISA-N	207.660	2.758	50	40	BFGB	
CN(C)c1ccccc1C(=O)CCCCl	394782843	MPVNRCHLLVXACA-UHFFFAOYSA-N	225.719	2.954	50	40	BFGB	
CO[C@@H](CBr)c1ccccc1	5998130	XLUICHSZBNGJHF-VIFPVBQESA-N	215.090	2.769	50	40	BFGB	in-vitro
FC(F)(F)C(F)(F)C(Cl)Cl	95679003	COAUHYBSXMIJDK-UHFFFAOYSA-N	202.937	2.988	50	40	BFGB	
Fc1nc(F)c(F)c(CBr)c1F	142049463	KRMPTEHGHPMAEL-UHFFFAOYSA-N	243.985	2.533	50	40	BFGB	
CC1(C)[C@@H](Br)C1(Cl)Cl	1715139	JUMZHHPOVFVYMK-GSVOUGTGSA-N	217.921	2.964	50	40	BFGB	
CCc1cc(SC#N)cc(CC)c1N	3369827	VEJZYNJKGCWYKE-UHFFFAOYSA-N	206.314	2.967	50	40	BFGB	in-vitro
C[C@@H](Cl)C(=O)NC12CC3CC(CC(C3)C1)C2	3887306	KRVLFNQJYFFTEL-SEOMOHDOSA-N	241.762	2.699	50	40	BFGB	
CCCC/C(=N\NC(=O)OC)c1ccccc1	4680032	WUBGKTQMZBNSCB-WYMLVPIESA-N	234.299	2.937	50	40	BFGB	
C[C@H](Cl)C(=O)NC[C@@H](C)c1ccccc1	3434801	DNKIAYZEDJPQEY-ZJUUUORDSA-N	225.719	2.534	50	40	BFGB	
C[C@@H](CBr)Oc1ccccc1	41228000	DKSBHBVHZCRXGQ-QMMMGPOBSA-N	215.090	2.849	50	40	BFGB	in-vitro
COC1[C@H](C)CC(Br)C[C@H]1C	1638490	AHSHSFBNBKORAS-PZYMCFGQSA-N	221.138	2.831	50	40	BFGB	
CCCCNC(=O)/C(C#N)=C/c1cccs1	3326738	QUUHRBTWJLZQSM-CSKARUKUSA-N	234.324	2.571	50	40	BFGB	
C#CCOc1ccc(/C=C/C#N)cc1OCC	6155500	BBQNCTLNVRVYBV-AATRIKPKSA-N	227.263	2.634	50	40	BFGB	
CC(C)Oc1ccccc1C=C(C#N)C#N	3208950	MJTAMUFCFICNDZ-UHFFFAOYSA-N	212.252	2.904	50	40	BFGB	
C=CCOc1ccc(C=C(C#N)C#N)cc1OC	5512840	XJQBQPXCBGMUHX-UHFFFAOYSA-N	240.262	2.691	50	40	BFGB	
Cc1ccccc1/C=C(\C#N)C(=O)N1CCCC1	16437918	OPBJMZIMISQXGW-GXDHUFHOSA-N	240.306	2.524	50	40	BFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2)c1ccccc1	100937151	KOMHHNSENNVSJW-YEFIBJERSA-N	240.306	2.614	50	40	BFGB	
COc1ccc(C)cc1NC(=O)OCCCl	1599630	JYAKEUVAHOYZTH-UHFFFAOYSA-N	243.690	2.791	50	40	BFGB	
O=C(CSCCCl)Nc1ccccc1	1689379	PHCZQUYKKYRGOI-UHFFFAOYSA-N	229.732	2.597	50	40	BFGB	
O=c1ccc2ccc(OCCCCl)cc2o1	2275412	HXCBKQXAXRRHQW-UHFFFAOYSA-N	238.670	2.801	50	40	BFGB	
CCc1ccc([C@@H](C)NC(=O)CCl)cc1	3394752	IIJYXIXJCCXWEG-SECBINFHSA-N	225.719	2.665	50	40	BFGB	in-vitro
CCCCC[C@]1(C)OC(=O)C[C@@H]1Cl	4804548	SAOIVSYYVCZVDJ-WPRPVWTQSA-N	204.697	2.880	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@@H](O)C1	196821646	NLXIOZRBFNUITF-ZJUUUORDSA-N	216.397	2.922	50	40	BFGB	
COC(=O)CSSCc1ccccc1	1578133	WZGMQANCZMIZTR-UHFFFAOYSA-N	228.338	2.741	50	40	BFGB	
CCOc1ccc(C=C(C#N)C#N)cc1OCC	1591849	FQOIEDBDDSVJNI-UHFFFAOYSA-N	242.278	2.915	50	40	BFGB	
C[C@@]1(Cc2ccccc2)OC[C@@H](CCl)O1	1674905	FUJNHUPEHSGJQK-VXGBXAGGSA-N	226.703	2.600	50	40	BFGB	
Cc1ccc(F)cc1C(=O)[C@H](C)Cl	238422516	OTVDHAKPFSSLHL-ZETCQYMHSA-N	200.640	2.944	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc(C#N)c(F)c1	308807240	PATKYBFXLHAPMY-SECBINFHSA-N	225.650	2.897	50	40	BFGB	
Cc1ccc(C)c2[nH]c(=O)c(C=C(C#N)C#N)cc12	421500	FJSQQBMEFDQIAK-UHFFFAOYSA-N	249.273	2.576	50	40	BFGB	
Cc1cc(Br)cc(C(=O)Cl)c1O	1732119	OUMXZKNEOSOJRM-UHFFFAOYSA-N	249.491	2.842	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)c1ccc(F)cc1	3141241	YEFJIISUCYHBLT-FMIVXFBMSA-N	233.242	2.686	50	40	BFGB	
CCOC(=O)/C(C#N)=C\c1sccc1C	5716412	RRTRJGJHFSDDES-TWGQIWQCSA-N	221.281	2.527	50	40	BFGB	
CC[C@H](Cl)C(=O)Nc1ccc(F)cc1	8183790	YFWFOPBHCSEZMY-VIFPVBQESA-N	215.655	2.782	50	40	BFGB	in-vitro
COc1cccc(-c2ccnn2CCCl)c1	96527637	JWYMWLRHYDBUAI-UHFFFAOYSA-N	236.702	2.798	50	40	BFGB	
C/C(=N\NC(=O)c1ccoc1C)c1cccs1	32447	PUFYIHODCYGVGF-MDWZMJQESA-N	248.307	2.804	50	40	BFGB	
CC(C)C/C=N\NC(=O)[C@H](C)Oc1ccccc1	5044226	CPLRWPUDQLSEIH-GQVHDAKQSA-N	248.326	2.602	50	40	BFGB	
O=P(Cl)(Cl)OCCBr	72399506	NYKRTKYIPKOPLK-UHFFFAOYSA-N	241.836	2.984	50	40	BFGB	in-vitro
O=C(CCCl)N[C@@H]1CCCc2ccccc21	32626781	XXBNQGPXUWOBMS-GFCCVEGCSA-N	237.730	2.809	50	40	BFGB	in-vitro
CCOc1ccc([C@H](C)NC(=O)CCl)cc1	37014253	KMKOLQQSTQFCEY-VIFPVBQESA-N	241.718	2.501	50	40	BFGB	
Cc1cc(F)cc(C(=O)[C@H](C)Cl)c1	238421984	MOEGWXCVYUJRSL-ZETCQYMHSA-N	200.640	2.944	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1cccc(C(=O)OC)c1	309228783	VOYWCMGNQBHEIY-SNVBAGLBSA-N	240.686	2.673	50	40	BFGB	
COc1cc(SC)ccc1C(=O)Cl	2574145	HPXYPQUUKOWRKM-UHFFFAOYSA-N	216.689	2.796	50	40	BFGB	
CSc1ccc2c(c1)S[S@@](=O)N2	6425410	CPARCULITBGACT-LBPRGKRZSA-N	217.340	2.505	50	40	BFGB	
C[C@H](NC(=O)CCl)c1cc2ccccc2o1	7989023	VDGCIPVYFVAGCG-QMMMGPOBSA-N	237.686	2.849	50	40	BFGB	
CC(C)(C#N)c1ccc(C(=O)Cl)cc1	39057335	PSOGCRTXEAQODD-UHFFFAOYSA-N	207.660	2.867	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ncc(C(C)(C)C)o1	72220078	YMCZEFOWIJCVPG-LURJTMIESA-N	230.695	2.538	50	40	BFGB	
CC(=O)N/N=C(\C)CC(C)(C)c1ccccc1	408863956	RHDZTJYFTFAFEW-RVDMUPIBSA-N	232.327	2.866	50	40	BFGB	
CC(C)OC[C@H](Br)C(F)(F)F	685966960	DNBYATVRGNXTEW-YFKPBYRVSA-N	235.043	2.737	50	40	BFGB	
CC(C)=NNC(=O)Cc1cccc2ccccc12	486765	QAIUVLWFOAEKMZ-UHFFFAOYSA-N	240.306	2.894	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(C)[C@H](NC(=O)CCl)C2	4207277	PYXCVNYPFHGKLE-LNLATYFQSA-N	229.751	2.556	50	40	BFGB	
CCOC(=O)/C(C#N)=C\c1ccc(OCC)cc1	49128	OJTPOZKRLMEHTI-XFXZXTDPSA-N	245.278	2.555	50	40	BFGB	
ClCCOCCOc1ccc(Cl)cc1	1690438	FRYOCBWVHKWHML-UHFFFAOYSA-N	235.110	2.974	50	40	BFGB	
CC(C)(CCl)C(=O)NCc1ccccc1	2577524	KGRNLUHSVAKWTK-UHFFFAOYSA-N	225.719	2.568	50	40	BFGB	
O=C(CCl)Nc1cccc2c(O)cccc12	2583826	MOFOKNGVGWYCKJ-UHFFFAOYSA-N	235.670	2.723	50	40	BFGB	in-vitro
CC(C)CC1(CC(C)C)CC(=O)OC1=O	100890506	IOJGHFFBCUOJIL-UHFFFAOYSA-N	212.289	2.539	50	40	BFGB	
O=C(CC(Cl)Cl)c1cccc([N+](=O)[O-])c1	105991847	HIOPNPJFSKHAFY-UHFFFAOYSA-N	248.065	2.971	50	40	BFGB	
COc1ccc(-c2cn(CCl)cn2)cc1	199738527	YAMDQVNXCAWRBA-UHFFFAOYSA-N	222.675	2.755	50	40	BFGB	
COc1ccccc1C(=O)N/N=C(/C)CC(C)C	33534829	KMIWLWRKYWAJAV-PTNGSMBKSA-N	248.326	2.847	50	40	BFGB	
O=C(O)CCCCC1CSSC1	34217058	YGXKWXGMWPKPQK-UHFFFAOYSA-N	206.332	2.643	50	40	BFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1cccc(F)c1	5671250	HUJBBKJMBOPCFW-FKMQKICOSA-N	244.269	2.508	50	40	BFGB	
C[C@H](Cl)C(=O)NCCC1=CCCCC1	6049213	XSAFRIIRMMGDLF-VIFPVBQESA-N	215.724	2.620	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1cc(F)ccc1F	9428934	ZYPOIIOIZHDLCF-YFKPBYRVSA-N	219.618	2.531	50	40	BFGB	in-vitro
C[C@H]1CCCC/C1=N/NC(=O)c1ccco1	16970396	MXKAKSZJHHXQLY-FWSONLODSA-N	220.272	2.576	50	40	BFGB	
Br[C@H]1CC=CC[C@@H]1Br	100182483	AAJZFOGMZOTJFE-WDSKDSINSA-N	239.938	2.863	50	40	BFGB	
O=C(CCCCl)NC[C@H]1C[C@H]2CC[C@H]1C2	100968605	VGRXRLYBJGLETD-GARJFASQSA-N	229.751	2.558	50	40	BFGB	
C[C@@H](Cl)C(=O)Oc1ccc(Cl)cc1	2046089	ZTFHVLFFQQCYQH-ZCFIWIBFSA-N	219.067	2.873	50	40	BFGB	
C[C@H](CNC(=O)[C@@H](C)Cl)c1ccccc1	3434797	DNKIAYZEDJPQEY-NXEZZACHSA-N	225.719	2.534	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1cccc2ncccc12	12505691	KMLNZLIMQZFCHQ-QMMMGPOBSA-N	234.686	2.801	50	40	BFGB	in-vitro
O=C(Cl)c1ccc2cccc([N+](=O)[O-])c2n1	45954291	DQIZVLFUKIHKOD-UHFFFAOYSA-N	236.614	2.522	50	40	BFGB	
O=C(Cl)Cc1cccc(OC(F)F)c1	78406447	XYJCECQKCKFPTN-UHFFFAOYSA-N	220.602	2.596	50	40	BFGB	
COC(=O)/C=C\c1ccc(CCl)cc1	90500348	POUZKYNWDFWZMJ-SREVYHEPSA-N	210.660	2.612	50	40	BFGB	
Cc1ccsc1/C=N/NC(=O)c1ccccc1	95779	YZPDSCUFOQGMPO-NTEUORMPSA-N	244.319	2.820	50	40	BFGB	
CCN1C(=C(C#N)C#N)C=Cc2ccccc21	245086	JQNSZKXNKGTUQQ-UHFFFAOYSA-N	221.263	2.841	50	40	BFGB	
C/C(=N/NC(=O)CCc1ccccc1)C1CC1	284609	NWMKIJUYECOMHL-PTNGSMBKSA-N	230.311	2.521	50	40	BFGB	
O=C([C@@H](Cl)c1ccccc1)N1CCCCC1	4206792	ACZICANKVRIYSF-LBPRGKRZSA-N	237.730	2.979	50	40	BFGB	
O=C(N/N=C/Cc1ccccc1)c1ccccc1	5370969	PVURDBIRGFIMLM-FOWTUZBSSA-N	238.290	2.645	50	40	BFGB	
Cc1ccccc1NC(=O)CCCCl	6318974	OZZKCARTSTVGBO-UHFFFAOYSA-N	211.692	2.953	50	40	BFGB	
F[C@@H](OCCCl)C(Cl)(Cl)Cl	68591136	VIYKDVMNHIFUHN-VKHMYHEASA-N	229.893	2.908	50	40	BFGB	
Fc1ccc(Cn2cncc2CCl)cc1F	85216683	QVKWKSIXCYXWNY-UHFFFAOYSA-N	242.656	2.948	50	40	BFGB	
CCCCCC[C@@H](C)NC(=O)CCl	4219136	QEPZCHRQMLMYTA-SECBINFHSA-N	205.729	2.700	50	40	BFGB	in-vitro
CC(C)C(=O)/C(C#N)=C\c1ccc(C(=O)O)cc1	48639608	MFCNAEVJVPVURV-GHXNOFRVSA-N	243.262	2.517	50	40	BFGB	
Cl[C@H]1CCN2CCc3ccccc3[C@@H]2C1	102226986	ZVAFQGZUKSEIBX-AAEUAGOBSA-N	221.731	2.987	50	40	BFGB	
CN(C)c1cccc(C(=O)CCCCl)c1	382675873	PWWBBKINZFFYBI-UHFFFAOYSA-N	225.719	2.954	50	40	BFGB	
Cc1cc(NC=C(C#N)C#N)cc(Cl)c1O	152858	KVERNWMPJVIVDO-UHFFFAOYSA-N	233.658	2.697	50	40	BFGB	
C[C@@H](CCc1ccccc1)NC(=O)[C@H](C)Cl	2649926	HMNUMSKIRHYVOD-QWRGUYRKSA-N	239.746	2.751	50	40	BFGB	
F[C@@H](Cl)C(F)(F)C(F)(F)Cl	60255940	UJIGKESMIPTWJH-PVQJCKRUSA-N	202.937	2.988	50	40	BFGB	
CC1(C)[C@H]2Cc3c(ccc4c3C(=O)OC4=O)[C@@H]1C2	104232903	SGAGWFNOBCBBMB-CPCISQLKSA-N	242.274	2.683	50	40	BFGB	
COc1ccc(C)cc1OC(=O)Cl	2362803617	QBSDOJUARNIQAD-UHFFFAOYSA-N	200.621	2.741	50	40	BFGB	
C[C@H](Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1	911957	QSYPQPDHKSDZDB-YFKPBYRVSA-N	225.635	2.771	50	40	BFGB	
COc1ccc2c(c1)CCCN2CCCl	1672336	JXOIEJKFCHOBPH-UHFFFAOYSA-N	225.719	2.687	50	40	BFGB	
Cc1sc2nc([C@@H](C)Cl)[nH]c(=O)c2c1C	2615922	FUAYKDNIULHSBI-RXMQYKEDSA-N	242.731	2.901	50	40	BFGB	
CC(C)Oc1ccccc1/C=C(/C#N)C(N)=S	6884143	ZKCMMJAZCFNZAB-XFFZJAGNSA-N	246.335	2.667	50	40	BFGB	
ClCc1cnc(-c2cccs2)nc1	12370791	HBGUDWOIHDHRCQ-UHFFFAOYSA-N	210.689	2.944	50	40	BFGB	in-vitro
Cc1[nH]c2ccccc2c1/C=C(\C#N)C(N)=S	107636152	IICXOYCWCVCALM-RMKNXTFCSA-N	241.319	2.669	50	40	BFGB	
C/C(CC(C)C)=N/NC(=O)c1cccc(O)c1	16185129	KZJQUJLYKJIYGI-UVTDQMKNSA-N	234.299	2.544	50	40	BFGB	
C[C@H](Br)c1ncnc(Cl)c1F	19616365	AAESVRBYUDTWKH-VKHMYHEASA-N	239.475	2.725	50	40	BFGB	
CCOC(=O)N/N=C\c1ccc2ccccc2c1	33294488	DJNHWJRCFOPKAK-GDNBJRDFSA-N	242.278	2.920	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(CBr)[C@H](O)C2	34802273	RBBMBWFNBKIZND-XKSSXDPKSA-N	233.149	2.569	50	40	BFGB	
CCOc1cc(F)c(C(=O)Cl)c(F)c1	91252003	DFCDPQTYYGJYOD-UHFFFAOYSA-N	220.602	2.743	50	40	BFGB	
Cc1cc(C#CCBr)ccc1F	95632352	WRYDYPJHCBEQFB-UHFFFAOYSA-N	227.076	2.881	50	40	BFGB	
Cc1ccc(F)cc1C#CCBr	95632398	PHKICXQRBRGPEC-UHFFFAOYSA-N	227.076	2.881	50	40	BFGB	
CC(C)n1cc(-c2cnc(CCl)o2)cn1	96525745	ONGJITQKAUFVNI-UHFFFAOYSA-N	225.679	2.858	50	40	BFGB	
O=C(Cl)c1ccccc1OC1CCOCC1	12370457	FYJPOEFQSOXMMO-UHFFFAOYSA-N	240.686	2.623	50	40	BFGB	
O=C(N/N=C\c1ccsc1)c1cccs1	33447776	UMGDNTPEDUYHPG-WDZFZDKYSA-N	236.321	2.574	50	40	BFGB	
ClCc1csc([C@@H]2CCCO2)n1	83710565	DFFJFRZVYYPJAB-ZETCQYMHSA-N	203.694	2.733	50	40	BFGB	in-vitro
O=[S@@](OCCCl)c1ccc(Cl)cc1	228950497	KXWLUSFKAAJHNT-ZDUSSCGKSA-N	239.123	2.618	50	40	BFGB	
COc1ccc(CC(Cl)Cl)c(C(=O)O)c1	40045	KAIPNMLLMNTURT-UHFFFAOYSA-N	249.093	2.740	50	40	BFGB	
CCCC(=O)N/N=C/c1ccc(Cl)cc1	3040641	UIZHUGFJQICKQP-MDWZMJQESA-N	224.691	2.590	50	40	BFGB	
O=NN(C(=O)NC1CCCC1)C1CCCC1	5566708	BBVHJMVDYJMPQO-UHFFFAOYSA-N	225.292	2.565	50	40	BFGB	
CC[C@H]1CCC/C1=N\NC(=O)c1ccoc1C	4545216	SGDZHPNINDUOBF-OKQWNRDOSA-N	234.299	2.884	50	40	BFGB	
CCC[C@@H]1O[C@@H](CCl)OC[C@H]1CC	4410845	OQXUFCOWGBRGRD-UTLUCORTSA-N	206.713	2.793	50	40	BFGB	
ClC(Cl)C1SCCCS1	5437387	LULXSKRRUOAAFA-UHFFFAOYSA-N	203.159	2.986	50	40	BFGB	
CCOc1ccc(C(=O)NN=C(CC)CC)cc1	5524076	KQNFWVBFNDIPPM-UHFFFAOYSA-N	248.326	2.991	50	40	BFGB	
O=C(N/N=C/[C@@H]1CC=CCC1)c1cccs1	5677411	BGGLECFWLATAPW-QQMDNXKGSA-N	234.324	2.820	50	40	BFGB	
CC[C@@H](Br)Cc1ccncc1	63045581	IKYWQEVKAXMLLT-SECBINFHSA-N	214.106	2.798	50	40	BFGB	
CCOC(=O)N/N=C(\C)[C@@H]1C[C@H]2CC[C@H]1C2	107547553	AHHMMDWWIPBZFE-VSWFAXOKSA-N	224.304	2.545	50	40	BFGB	
BrCc1ccnc2ncccc12	199560939	UMCWKWVHGUTIDF-UHFFFAOYSA-N	223.073	2.525	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(CC(=O)O)[C@H](Cl)C2	1688332	OXJNTOQBZAXOPC-RNSXUZJQSA-N	216.708	2.895	50	40	BFGB	in-vitro
CCOC(=O)N/N=C(\C)[C@@H]1C[C@H]2CC[C@@H]1C2	4144613	AHHMMDWWIPBZFE-DVPFFEGKSA-N	224.304	2.545	50	40	BFGB	
CCC/C(C)=N/NC(=O)c1ccc(N(C)C)cc1	4619318	KVGTUHXMUAMEKT-RVDMUPIBSA-N	247.342	2.658	50	40	BFGB	
C[C@H](c1ccccc1)[C@H]1OC[C@H](CCl)O1	4792521	GPDDRHYDAHHEMX-USWWRNFRSA-N	226.703	2.770	50	40	BFGB	
CC(C)(C)c1ccc(C(C)(C)CB(O)O)cc1	2362804653	FMSXYHICTFXUJD-UHFFFAOYSA-N	234.148	2.735	50	40	BFGB	
O=C(Cl)c1cc(-c2cccs2)on1	4289264	XLRLTECXQKLWBV-UHFFFAOYSA-N	213.645	2.782	50	40	BFGB	
COC(=O)/C(C#N)=C\c1c(F)cccc1Cl	5171598	RVUOMXRCFMIRAG-ALCCZGGFSA-N	239.633	2.559	50	40	BFGB	
C[C@]1(C(=O)OCCCCCl)CC[C@@H]2O[C@@H]2C1	5530972	KTEBZYROZXXYOW-UMNHJUIQSA-N	246.734	2.506	50	40	BFGB	
CCOC(=O)Cc1ccc(CCl)cc1	39293853	MZQXTMGJTYTKJN-UHFFFAOYSA-N	212.676	2.531	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccccc1C#N	307359998	DRJMDFDQWKLRCA-SNVBAGLBSA-N	207.660	2.758	50	40	BFGB	
C[C@@H](Cl)c1nc2ccc([N+](=O)[O-])cc2[nH]1	911960	QSYPQPDHKSDZDB-RXMQYKEDSA-N	225.635	2.771	50	40	BFGB	
O=C=Nc1cccc2c1-c1ccccc1C2=O	1673257	YTQQIFUAKDCHQE-UHFFFAOYSA-N	221.215	2.865	50	40	BFGB	
CCCC[C@@H](Br)C(=O)OC(C)C	2046227	VJVQVUOTLKQHCD-MRVPVSSYSA-N	237.137	2.892	50	40	BFGB	
O=C(Nc1ccc(F)c(F)c1)C(Cl)Cl	5568097	ROBYYGMHLQXZAJ-UHFFFAOYSA-N	240.036	2.707	50	40	BFGB	
CCCC[C@H](Br)C(=O)Cl	13379586	KZOBODYIXDMSCF-YFKPBYRVSA-N	213.502	2.706	50	40	BFGB	
O=C(Cl)c1ncoc1-c1cccs1	16124702	KAAQPCPNYMZOAY-UHFFFAOYSA-N	213.645	2.782	50	40	BFGB	
O=C(OCCSCCCl)c1ccccc1	1667161	UFXZTRWGCYSXPO-UHFFFAOYSA-N	244.743	2.815	50	40	BFGB	
N=C1SCCN1C[C@@H](Cl)c1ccccc1	3865398	PVMWFCUPSUANSK-SNVBAGLBSA-N	240.759	2.950	50	40	BFGB	
COc1ccccc1Cn1cncc1CCl	85216154	FWTBKOMHHDJDSV-UHFFFAOYSA-N	236.702	2.679	50	40	BFGB	
N#CC(C#N)=C1Nc2ccccc2N=C1Cl	100860056	AQJRBPLUJNFYKW-UHFFFAOYSA-N	228.642	2.682	50	40	BFGB	
O=C(Cl)c1cc2nccnc2cc1Cl	225732272	OUFIFMDGSIWKAF-UHFFFAOYSA-N	227.050	2.662	50	40	BFGB	
COP(=O)(Cc1ccc(/C=C/C#N)o1)OC	1857103	HGNPZVNKJDSJFO-ONEGZZNKSA-N	241.183	2.802	50	40	BFGB	
CCCCOC(=O)/C(C#N)=C/c1ccccc1	4069888	VOZAWLCINYWPAI-JLHYYAGUSA-N	229.279	2.937	50	40	BFGB	
Cc1nc2ccc(NC(=O)CCl)cc2s1	7996770	KWKIWIHAPMDYLK-UHFFFAOYSA-N	240.715	2.782	50	40	BFGB	
O=[N+]([O-])c1cc(F)c(F)c(CCl)c1	95929727	VZAPDLKEKQCFPA-UHFFFAOYSA-N	207.563	2.612	50	40	BFGB	
Br[C@H]1CCC[C@H]1Br	100055621	LJCGLSZQABMYGU-SYDPRGILSA-N	227.927	2.697	50	40	BFGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(C)C(=O)C2	100099518	JOXACTPHKLKJNP-HGNGGELXSA-N	231.133	2.777	50	40	BFGB	
ClCCOCCO[C@H]1CCCC[C@@H]1Cl	5375933	YSYUOOSVUURNBK-UWVGGRQHSA-N	241.158	2.808	50	40	BFGB	
ClCc1cnc(-c2ccccc2)nc1	12370785	VJINEZQXTOUKNJ-UHFFFAOYSA-N	204.660	2.882	50	40	BFGB	in-vitro
CCOC(=O)c1ccccc1C(=O)[C@H](C)Cl	309210316	GCCPGPZSXFZCFD-QMMMGPOBSA-N	240.686	2.673	50	40	BFGB	
Cn1ccnc1COc1ccc(CCl)cc1	32625206	SXUCVUQEUSBJQZ-UHFFFAOYSA-N	236.702	2.738	50	40	BFGB	in-vitro
ClCc1cc(Br)c2c(c1)OCO2	36897343	SJBPZFVJNASLBI-UHFFFAOYSA-N	249.491	2.917	50	40	BFGB	
Cc1nc(N2CCCC2)ccc1CCl	72224508	ZUJCHXNADTUTDR-UHFFFAOYSA-N	210.708	2.729	50	40	BFGB	
Fc1ccc(C#CCBr)cc1	95632482	PUSYURWHOHXATJ-UHFFFAOYSA-N	213.049	2.572	50	40	BFGB	
C[C@@H]1CCc2cc(F)ccc2N1C(=O)CCl	555748	IBNJYMSLQFJRQV-MRVPVSSYSA-N	241.693	2.732	50	40	BFGB	
O=C(CCCCl)Nc1ccccc1[N+](=O)[O-]	5679672	DDLUELRIEMDZDX-UHFFFAOYSA-N	242.662	2.552	50	40	BFGB	
C/C=C(\C)C(=O)N/N=C/C=C\c1ccccc1	17128852	JOQXIPILJBRWIQ-UKOIAOBOSA-N	228.295	2.768	50	40	BFGB	
CCc1ccc([C@H](Cl)C(=O)OC)cc1	50977722	RGBYLJDRMKSRMN-JTQLQIEISA-N	212.676	2.702	50	40	BFGB	
N#C/C(=C\O)c1ccc(Br)cc1	100367268	RLNLEKCYESWZSJ-SOFGYWHQSA-N	224.057	2.872	50	40	BFGB	
CC(C)c1ccc(/C=C(/C#N)C(=O)N(C)C)cc1	42751795	PSRXUFWFJMEOEW-ZROIWOOFSA-N	242.322	2.805	50	40	BFGB	
C[C@H](Br)C(F)(F)C(F)(F)F	97436552	ASHMHGMFCBIULG-REOHCLBHSA-N	226.970	2.967	50	40	BFGB	
CCCCCC[C@@H](C)OC(=O)/C=C/C#N	112965535	JPJBLJYIWFFPCG-MXMFLMJRSA-N	209.289	2.968	50	40	BFGB	
O=c1c(CCl)cc2cccc3c2n1CCC3	153971	XCPNBFVIMZKMHY-UHFFFAOYSA-N	233.698	2.687	50	40	BFGB	
O[C@@H](CCl)Cc1cccc(C(F)(F)F)c1	1675816	ZFXGKQTVBSBJSU-SECBINFHSA-N	238.636	2.848	50	40	BFGB	
CC(C)C/C=N/NC(=O)[C@@H](C)Oc1ccccc1	6357798	CPLRWPUDQLSEIH-JXCQQFQQSA-N	248.326	2.602	50	40	BFGB	
CC(=O)c1cccc2nc(CCl)oc12	29753806	QUADRZLCQLTRBE-UHFFFAOYSA-N	209.632	2.769	50	40	BFGB	
O=C(Cl)CCCc1ccc(F)cc1	11631073	OKGHRPHMHBMWMD-UHFFFAOYSA-N	200.640	2.914	50	40	BFGB	in-vitro
CCOC(=O)c1ccc(CCCl)cc1	95916006	NLSZOWNCJICCHO-UHFFFAOYSA-N	212.676	2.645	50	40	BFGB	
O=C[C@@H]1Cc2ccccc2CC[C@@H]1Cl	1857793601	XSMHCZASEXGJOR-RYUDHWBXSA-N	208.688	2.598	50	40	BFGB	
C[C@H](Br)C(=O)c1ccccc1F	22006684	SRWOGHXEYXHDFI-LURJTMIESA-N	231.064	2.792	50	40	BFGB	in-vitro
CCOC(=O)/C(C#N)=C1\CCC[C@H](C)C1	33770336	POGGDOHFZQVNIQ-YHTNPHCKSA-N	207.273	2.580	50	40	BFGB	
O=C(Nc1ccccc1)OCCCCl	1600220	PWYHRNYXPUTOMA-UHFFFAOYSA-N	213.664	2.864	50	40	BFGB	
C[C@@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)CBr	4228156	IZTHFLJIDXSODK-AXTSPUMRSA-N	233.149	2.569	50	40	BFGB	
C[C@@]1(c2ccccc2)OC[C@H](CCl)O1	1676828	BFBWNIQRFXNTDO-WDEREUQCSA-N	212.676	2.514	50	40	BFGB	
CSc1ccccc1NC(=O)[C@@H](C)Cl	2650126	JWZQNQRISJSEML-SSDOTTSWSA-N	229.732	2.974	50	40	BFGB	in-vitro
COC(=O)/C(C#N)=C/c1c(F)cccc1Cl	3570141	RVUOMXRCFMIRAG-FNORWQNLSA-N	239.633	2.559	50	40	BFGB	
CCOC(=O)C(C#N)=C1CCC(C)CC1	5457313	HLALOSZYLJPIEV-UHFFFAOYSA-N	207.273	2.580	50	40	BFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1sccc1C	408815343	RCKADYZJZDJBFU-UEUZTHOGSA-N	248.351	2.878	50	40	BFGB	
CCOC(=O)/C(C#N)=C\c1ccc(CC)s1	42524	BKJNRBJOGKPVGQ-CLFYSBASSA-N	235.308	2.781	50	40	BFGB	
COc1ccc(Cl)c(C(=O)Cl)c1F	2527871	MLQATAUZGNYEDK-UHFFFAOYSA-N	223.030	2.867	50	40	BFGB	
COc1cccc(N(CCCl)CCCl)c1	1769239	YEUHPMAALSITIH-UHFFFAOYSA-N	248.153	2.979	50	40	BFGB	
C[C@H](Cl)C(=O)c1c[nH]c2ccccc12	3399223	ITKRRBMAMUDWMP-ZETCQYMHSA-N	207.660	2.978	50	40	BFGB	in-vitro
CCCOc1ccc(C(=O)CCl)cc1	20136098	JODWHHMIVWXMRT-UHFFFAOYSA-N	212.676	2.897	50	40	BFGB	
[C-]#[N+]CC(=O)OC/C(C)=C/[C@@H](C)CC=C	104899188	XQAGGCFQPHEYPC-VUBLIPMDSA-N	207.273	2.607	50	40	BFGB	
C/C(=N\NC(=O)C(C)C)c1ccc2[nH]ccc2c1	18194441	AAESLBSHSPPKDE-MHWRWJLKSA-N	243.310	2.664	50	40	BFGB	
C[C@H](Cl)C(=O)c1cc(F)c(F)cc1F	235479496	PGWUPHFIKFZPJH-BYPYZUCNSA-N	222.593	2.914	50	40	BFGB	
Cc1c(F)cccc1C(=O)[C@H](C)Cl	238425335	QHTQALIDMZIFGP-ZETCQYMHSA-N	200.640	2.944	50	40	BFGB	
O=C(CCCCl)c1ccc2c(c1)OCCO2	3865400	HLISIKOTNCMNQM-UHFFFAOYSA-N	240.686	2.660	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1ccc(F)c(F)c1F	3887328	ZDXFSIFUFRWIQZ-SCSAIBSYSA-N	237.608	2.670	50	40	BFGB	
C[C@@H](Br)C(=O)c1ccc(F)cc1F	7978606	GOLMFRUVGNQYAV-RXMQYKEDSA-N	249.054	2.931	50	40	BFGB	in-vitro
CN1CC[C@H]2C[C@@H](Br)CC[C@H]2C1	36533003	FQFNYAKOZPURLX-GUBZILKMSA-N	232.165	2.502	50	40	BFGB	
O=C(CBr)c1c[nH]c2ccccc12	36903515	WCDLGQZBYNBTFK-UHFFFAOYSA-N	238.084	2.746	50	40	BFGB	
Cc1cccc(C[C@H](C#N)SC#N)c1	344681	LZBFLYOAIOSFDX-LLVKDONJSA-N	202.282	2.644	50	40	BFGB	
CCCCCCCCS(=O)(=O)CCl	98002742	CMEUFCACHYJLKG-UHFFFAOYSA-N	226.769	2.958	50	40	BFGB	
N#CC1=C(N)S[C@@H]2c3ccccc3CC[C@@H]12	4631853	APQYKRHRNWSRSO-CMPLNLGQSA-N	228.320	2.731	50	40	BFGB	
CC1(C)[C@@H]2CC[C@H](C2)[C@@]1(C)NC(=O)CCl	100098045	FLUMHSYXYCELKC-KBVBSXBZSA-N	229.751	2.556	50	40	BFGB	
Br[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12	100182740	CKJQKEYRULLGMO-MQIGXGKASA-N	213.118	2.982	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccccc1C(=O)OC	309277728	FTVXSIFVPRPKPZ-SNVBAGLBSA-N	240.686	2.673	50	40	BFGB	
CC(C)(COC(=O)Cl)C(F)(F)F	1083809116	IPFWPBKPMCBSIM-UHFFFAOYSA-N	204.575	2.950	50	40	BFGB	
Oc1nc(C(Cl)Cl)nc2ccccc12	388028	TWKDMKFFKIGFRB-UHFFFAOYSA-N	229.066	2.812	50	40	BFGB	in-vitro
Cc1nc(-c2cccc(CCl)c2)no1	1582935356	MQSBBGKBNDVGPV-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	
N#Cc1ccc(NC(=O)CCCl)cc1Cl	32626788	LDAYDOCWYVSAAI-UHFFFAOYSA-N	243.093	2.779	50	40	BFGB	
C[C@@H](Br)C(=O)c1ccnc(Cl)c1	199751776	SYDSFMHWCSBTRL-RXMQYKEDSA-N	248.507	2.701	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1cc(Cl)ccc1C#N	2650173	WASLAAXOUVHPOK-LURJTMIESA-N	243.093	2.777	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@@H](C)c1ccc(F)cc1	2650719	XVXFVUJDOHMVOV-YUMQZZPRSA-N	229.682	2.630	50	40	BFGB	in-vitro
Cc1ccc(C(=O)N/N=C/C(C)C)cc1C	5618049	VIRFAQBSGQDTFF-RIYZIHGNSA-N	218.300	2.675	50	40	BFGB	
CCOC(=O)/C(C#N)=C\c1cccc(Cl)c1	17197828	OPKOIQXGDVIXMJ-POHAHGRESA-N	235.670	2.810	50	40	BFGB	
N#C/C(=C\c1ccncc1)C(=O)Nc1ccccc1	206484007	KAUXLIKQJJFHGS-JLHYYAGUSA-N	249.273	2.627	50	40	BFGB	
C[C@@H](Cl)c1nc2cc(C(=O)O)ccc2n1C	225295510	GOUSKNAQGILTHO-ZCFIWIBFSA-N	238.674	2.571	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N/NC(=O)CCl)C2	3886258	OBYXIOFDPWYYST-AEOWBMDLSA-N	242.750	2.544	50	40	BFGB	
CN1CC[C@H]2CC[C@H](Br)C[C@H]2C1	4280548	KSADAFLWJPUMQU-UTLUCORTSA-N	232.165	2.502	50	40	BFGB	
CC/C(=N\NC(=O)CC(C)C)c1ccc(O)cc1	4646884	YVVQSAWJVAJZAE-FYWRMAATSA-N	248.326	2.669	50	40	BFGB	
BrCc1ccc2ncncc2c1	32915186	QTIZTQIKKKOUNU-UHFFFAOYSA-N	223.073	2.525	50	40	BFGB	
CCN(C(=O)CCl)c1ccccc1C	1649067	CMVONEMFKQDVPO-UHFFFAOYSA-N	211.692	2.587	50	40	BFGB	in-vitro
COc1ccc(C(F)(F)F)cc1N=C=O	19722029	YMQVJIXUIXHEGG-UHFFFAOYSA-N	217.146	2.681	50	40	BFGB	in-vitro
C[C@]12CC[C@H](CC1=O)[C@@]2(C)CBr	157950	JOXACTPHKLKJNP-FKTZTGRPSA-N	231.133	2.777	50	40	BFGB	
O=C(NNc1ccccc1)C1CCCCC1	3115892	ADWZVPRZTSOPOC-UHFFFAOYSA-N	218.300	2.710	50	40	BFGB	biogenic
CCOc1ccc(C(=O)[C@H](C)Cl)cc1	3394170	LAMNMHPSWYPAHR-QMMMGPOBSA-N	212.676	2.895	50	40	BFGB	in-vitro
Cc1ccsc1/C=N/NC(=O)CC(C)C	13958110	VNLXGPIKHUWLQC-KPKJPENVSA-N	224.329	2.553	50	40	BFGB	
C[C@H]1[C@H](C)c2ccccc2N1C(=O)CCl	39222708	TURJCTSKXKNFDH-IUCAKERBSA-N	223.703	2.764	50	40	BFGB	
CCCCCCCOC[C@@H](O)CCl	1556634	MSRSFQYAPZAUNP-JTQLQIEISA-N	208.729	2.573	50	40	BFGB	
C[C@]1(CCc2ccccc2)OC[C@H](CCl)O1	1686270	WYVLZWLTRHLJRK-STQMWFEESA-N	240.730	2.990	50	40	BFGB	
BrCc1coc(Br)c1	207484572	ZUONLUHVINHICP-UHFFFAOYSA-N	239.894	2.937	50	40	BFGB	
N#CCP(=O)(c1ccccc1)c1ccccc1	1473420	WQRCIUPMYHQSNU-UHFFFAOYSA-N	241.230	2.524	50	40	BFGB	
N#CC(C#N)=C/C=C/c1cccc([N+](=O)[O-])c1	1555719	SUUDBEARADVQJK-HNQUOIGGSA-N	225.207	2.582	50	40	BFGB	
CCOC(=O)N[C@@H]1Cc2ccccc2[C@H]1Cl	4002197	NPAKIBSOTNOMFJ-GHMZBOCLSA-N	239.702	2.637	50	40	BFGB	
Cc1ccc(C[C@@H](Br)C#N)cc1	4205534	LWIBRNSEZYUOOO-SNVBAGLBSA-N	224.101	2.825	50	40	BFGB	in-vitro
CCCCC(=O)N/N=C(\C)Cc1ccccc1	5457512	BEAZFHXUPGIIJT-NTCAYCPXSA-N	232.327	2.911	50	40	BFGB	
C/C(=N\NC(=O)c1ccc(C)o1)c1ccccc1	12341322	YMZKPQGZXWWZNZ-RVDMUPIBSA-N	242.278	2.742	50	40	BFGB	
O=C(CCl)c1ccc(C(F)(F)F)cn1	95628526	RVPRYFUMJFTNFS-UHFFFAOYSA-N	223.581	2.522	50	40	BFGB	in-vitro
[C-]#[N+]CCN1CCC(Cc2ccccc2)CC1	95698377	KVHFRBKLMKIMNJ-UHFFFAOYSA-N	228.339	2.860	50	40	BFGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(C)[C@H]2C(=O)O	252516669	VWSHQTXKIQEEDT-MBLNEYKQSA-N	247.132	2.518	50	40	BFGB	
Cc1cc(C)c(NC(=O)NCCCl)cc1C	1714186	IOGVWLJEOHLQMH-UHFFFAOYSA-N	240.734	2.972	50	40	BFGB	
C/C(=N/NC(=O)OC(C)(C)C)C(C)(C)C	5220852	LSMNOSJUFXCAJL-WQLSENKSSA-N	214.309	2.933	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1c(F)cccc1F	8324083	IACRTSGQFIYLQN-YFKPBYRVSA-N	219.618	2.531	50	40	BFGB	in-vitro
Cc1oc(-c2cccnc2)nc1CCl	16124782	NJISSAMSPGISEK-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	
COc1ccc(CCCCl)cc1OC	19785265	OSYVXUTXJLHKFK-UHFFFAOYSA-N	214.692	2.875	50	40	BFGB	in-vitro
COC(=O)c1cc(CCl)c(C)s1	57211719	HXVNRRSHOFMWMG-UHFFFAOYSA-N	204.678	2.582	50	40	BFGB	in-vitro
COc1ccc2[nH]cc(C(=O)CCCl)c2c1	157313908	DDRGMIZVRDNWKZ-UHFFFAOYSA-N	237.686	2.988	50	40	BFGB	
CN(Cc1ccc(Cl)cc1)C(=O)CCl	4205395	XMDHZHBNNUBOFM-UHFFFAOYSA-N	232.110	2.537	50	40	BFGB	
Cc1occc1C(=O)NN=C(C(C)C)C(C)C	4503689	UNLRCXQYZCFBAH-UHFFFAOYSA-N	236.315	2.986	50	40	BFGB	
CC(=O)[C@@H](Br)c1ccccc1F	32015979	NRXPWCNVJGOYHI-SECBINFHSA-N	231.064	2.851	50	40	BFGB	in-vitro
O=C(Cl)c1c(F)cc(Cl)cc1F	39712934	KHZDUKKKWXLPFY-UHFFFAOYSA-N	210.994	2.997	50	40	BFGB	
CC[C@@H](C)C(=O)NN=C1C2CC3CC(C2)CC1C3	44004255	ULTYPWINPTUYMC-HIVKSXORSA-N	248.370	2.961	50	40	BFGB	
N#C/C(=C1/CCCN1)c1nc2ccccc2s1	389030	JKJYEGXAYUAVGF-MDZDMXLPSA-N	241.319	2.914	50	40	BFGB	
CN1c2ccccc2P(C)(=O)c2ccccc21	3160228	ZKDNNHOQNYSGQQ-UHFFFAOYSA-N	243.246	2.712	50	40	BFGB	
CN(C)/C=C(\C#N)c1ccccc1Cl	26511189	ZULIAEPWYMDOOL-CMDGGOBGSA-N	206.676	2.766	50	40	BFGB	
O=C/C(=C/O)c1ccc(OC(F)(F)F)cc1	100033373	YTIDQYKSJQHODQ-YVMONPNESA-N	232.157	2.683	50	40	BFGB	
COC(=O)/C(C#N)=C1/C[C@H]2CC[C@@]1(C)C2(C)C	104834930	FPTXIHVRRSJXID-RITWGIALSA-N	233.311	2.826	50	40	BFGB	
CC(=O)OCCc1ccccc1CCl	163575	WUWXXNMIFWZJBH-UHFFFAOYSA-N	212.676	2.531	50	40	BFGB	
C=CCNC(=O)/C(C#N)=C/c1ccccc1Cl	2682468	GWXGHOHYHYJJFY-DHZHZOJOSA-N	246.697	2.549	50	40	BFGB	
Cc1cc(N(CCCl)CCCl)ccc1N	4772395	NCVPWROAIIKSEJ-UHFFFAOYSA-N	247.169	2.861	50	40	BFGB	
CC(/C=N/NC(=O)c1ccco1)=C\c1ccco1	4940195	GJTSXEGAYUHUGJ-CNVSOXPZSA-N	244.250	2.692	50	40	BFGB	
COc1ccc(C)cc1NC(=O)[C@H](C)Cl	12504905	PTWOSQAFEUCGDT-QMMMGPOBSA-N	227.691	2.569	50	40	BFGB	in-vitro
Cc1nc(C(F)(F)F)ccc1C=C(C#N)C#N	44676276	JTUUDERAYDPXSY-UHFFFAOYSA-N	237.184	2.839	50	40	BFGB	
O=C(Cl)c1csc(-c2ccncc2)n1	95836271	LROCYKIPUIBAGH-UHFFFAOYSA-N	224.672	2.584	50	40	BFGB	
O=C(NCCCl)Nc1ccccc1Cl	1596672	XTAPRYJFVHZPNT-UHFFFAOYSA-N	233.098	2.700	50	40	BFGB	
C/C(=N\NC(=O)c1ccco1)c1ccc(C)cc1	5543051	CNAIXSMOHXRPFO-RVDMUPIBSA-N	242.278	2.742	50	40	BFGB	
COc1cccc2[nH]c(C(=O)Cl)cc12	199563059	ZVHFHMANZZSXQG-UHFFFAOYSA-N	209.632	2.556	50	40	BFGB	
C#C[C@@H](C)[P@@](=O)(OC)O[Si](C)(C)C	205482994	FLFJTBNHGKGLLY-PRHODGIISA-N	220.281	2.699	50	40	BFGB	
O=C(CCl)N(Cc1cccc(F)c1)C1CC1	37501632	RLQGPZGFWAYDCB-UHFFFAOYSA-N	241.693	2.556	50	40	BFGB	
CCOc1c(F)cc(F)cc1C(=O)Cl	38529919	HLMDPTKLPPLYSJ-UHFFFAOYSA-N	220.602	2.743	50	40	BFGB	
FC(F)(F)c1ccncc1N=C=S	717835544	ANXBJXUPNMSYCJ-UHFFFAOYSA-N	204.176	2.835	50	40	BFGB	
COc1cccc(C=C(C#N)C#N)c1OC(C)C	13137384	UBGUCAVDEYXQAJ-UHFFFAOYSA-N	242.278	2.913	50	40	BFGB	
Cc1cc(F)c2c(CCl)cc(=O)oc2c1	85399728	UPSCZKLYYDGNAF-UHFFFAOYSA-N	226.634	2.979	50	40	BFGB	
Cc1cc(C(=O)Cl)c(F)c(F)c1F	143923064	LELUWLSVODXWST-UHFFFAOYSA-N	208.566	2.791	50	40	BFGB	
Nc1ccc([C@H](O)C(Cl)Cl)c(Cl)c1	3184520	YJJQMDVRCASGGQ-ZETCQYMHSA-N	240.517	2.759	50	40	BFGB	
ClCCCc1nc(-c2cccs2)no1	4207217	QOPNCXIRVQGVFL-UHFFFAOYSA-N	228.704	2.970	50	40	BFGB	in-vitro
ClCCCc1nc(-c2ccccc2)no1	4207331	KGPLNKMMWKJLJA-UHFFFAOYSA-N	222.675	2.908	50	40	BFGB	in-vitro
C[C@@H]1C[C@@H](OC(=O)CSC#N)CC(C)(C)C1	4792250	QAMJSLWZOIZUIZ-NXEZZACHSA-N	241.356	2.959	50	40	BFGB	
CSc1ccc2c(c1)S[S@](=O)N2	5809714	CPARCULITBGACT-GFCCVEGCSA-N	217.340	2.505	50	40	BFGB	
Cc1cccc(C(=O)CBr)c1	34116662	BANFRNTVKCHZDE-UHFFFAOYSA-N	213.074	2.573	50	40	BFGB	in-vitro
O=C1O[C@H](CCl)CN1c1cccc(Cl)c1	38478235	ZBBHAYPQIYWBPS-SECBINFHSA-N	246.093	2.904	50	40	BFGB	
Cc1c(F)cccc1NC(=O)[C@@H](C)Cl	43321467	RSOVJDFDXRPWLS-SSDOTTSWSA-N	215.655	2.700	50	40	BFGB	
Fc1ccc(F)c(Cn2cncc2CCl)c1	85217067	WQJYYKIEHDECIP-UHFFFAOYSA-N	242.656	2.948	50	40	BFGB	
CC1(C)[C@@H]2CC[C@]1(C)/C(=N/NC(=O)CCl)C2	100126938	OBYXIOFDPWYYST-UEPSEMFTSA-N	242.750	2.544	50	40	BFGB	
O=C(CCl)N1CCC[C@@H]1c1cccs1	7779466	QTNXVJJFLBKKFL-MRVPVSSYSA-N	229.732	2.650	50	40	BFGB	in-vitro
C[C@@H](Cl)OC(=O)Oc1ccccc1	34088516	RLCSVIMOWLKELL-ZETCQYMHSA-N	200.621	2.787	50	40	BFGB	in-vitro
IC[C@H]1C[C@H]2CC[C@@H]1C2	71254722	CVFNHQHHCQFJDT-XLPZGREQSA-N	236.096	2.858	50	40	BFGB	
Oc1ccc(CBr)cc1Cl	149425052	DAYKHHBVVMRITI-UHFFFAOYSA-N	221.481	2.941	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2	1001456	NUPFPBLLUREADH-ZMKIANRVSA-N	244.294	2.516	50	40	BFGB	
O=C(c1ccccc1)N(CCCl)CCCl	1763022	ALODFNPSXSJKRX-UHFFFAOYSA-N	246.137	2.606	50	40	BFGB	
COc1ccc(CCCC(=O)Cl)cc1	2574168	RMNFNJLSEHCPTJ-UHFFFAOYSA-N	212.676	2.783	50	40	BFGB	
CCN(CC)C(=O)/C(C#N)=C\c1sccc1C	35331088	JDQAAFSFIWHCRG-FLIBITNWSA-N	248.351	2.832	50	40	BFGB	
Cl[C@H]1C[C@H]2CC[C@@H]1[C@H]2Br	104100205	FAZDKRUDSNQPBW-BWBBJGPYSA-N	209.514	2.787	50	40	BFGB	
COc1cccc(COC(=O)Cl)c1	107143576	DTLMHWUBPMDABT-UHFFFAOYSA-N	200.621	2.571	50	40	BFGB	in-vitro
CC[C@@H](C)NC(=O)/C(C#N)=C/c1cccs1	408810861	JSKCTKPQPAXADU-YIXGCBLDSA-N	234.324	2.570	50	40	BFGB	
C[C@H](Cl)C(=O)N1c2ccccc2CC[C@H]1C	19429835	PTUVKKDISBBSLU-ZJUUUORDSA-N	237.730	2.982	50	40	BFGB	
Cc1cccc(-c2nc(CCl)n[nH]2)c1	85385486	WBMYVUFVQNSEOC-UHFFFAOYSA-N	207.664	2.519	50	40	BFGB	
CC(C)(C)OC(=O)C(C#N)=Cc1ccc(O)cc1	1857793038	ATRNSFOFXSREED-UHFFFAOYSA-N	245.278	2.641	50	40	BFGB	
COC(=O)[C@H](Cl)c1ccc(Cl)cc1	47844389	HBMSRVGZKKNZLW-MRVPVSSYSA-N	219.067	2.793	50	40	BFGB	in-vitro
Cc1cc(C)cc(NC(C#N)=C(C#N)C#N)c1	101645272	LWAYWIHMSIEBCG-UHFFFAOYSA-N	222.251	2.540	50	40	BFGB	
COc1cc(OC)c(Cl)c(N=C=O)c1Cl	113689056	VJFDWELAHZSVEE-UHFFFAOYSA-N	248.065	2.978	50	40	BFGB	
CCOc1cc(C=O)ccc1OCCCCl	217791478	DBKJGPTUUYTWTF-UHFFFAOYSA-N	242.702	2.906	50	40	BFGB	
CC(C)CC(C)(C)COC(=O)CCl	1685789	JUMLBKYUHAKONZ-UHFFFAOYSA-N	206.713	2.841	50	40	BFGB	
CN(NC(=O)C1CCCCC1)c1ccccc1	6226883	NDESQFBTCOJXCM-UHFFFAOYSA-N	232.327	2.734	50	40	BFGB	
COc1cc(Cl)c(OC)c(C(=O)Cl)c1	57339995	VUFOFTCYXQAJKZ-UHFFFAOYSA-N	235.066	2.736	50	40	BFGB	
CCCCOC(=O)/C(C#N)=C\c1cccs1	57547561	YQOWSDSOGFUBTN-NTMALXAHSA-N	235.308	2.998	50	40	BFGB	
Cc1cc2oc(=O)cc(CCl)c2cc1O	538058	QJKVIXRACLBRAK-UHFFFAOYSA-N	224.643	2.546	50	40	BFGB	biogenic
Cc1[nH]cnc1/C=C(\C#N)c1nc2ccccc2[nH]1	4113108	PXANMWJUSLMIGJ-UXBLZVDNSA-N	249.277	2.659	50	40	BFGB	
O=C([C@H](Cl)c1ccccc1)N1CCCCC1	4206794	ACZICANKVRIYSF-GFCCVEGCSA-N	237.730	2.979	50	40	BFGB	
C[C@@H](/C=N/NC(=O)c1ccco1)c1ccccc1	5527716	CVSWXVVUPCSUOS-KBVGCWLLSA-N	242.278	2.799	50	40	BFGB	
C/C(=N\NC(=O)c1ccc(C)o1)c1cccs1	13964147	ZKPJFNFIRISWIZ-UKTHLTGXSA-N	248.307	2.804	50	40	BFGB	
ClCc1noc(CC2CCCCC2)n1	26514289	PQRLXIZZTUGOKX-UHFFFAOYSA-N	214.696	2.931	50	40	BFGB	
COc1cccc(C(=O)Cl)c1OC(F)F	78406244	WBZLNSONQUOMOI-UHFFFAOYSA-N	236.601	2.676	50	40	BFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1sccc1C	408815351	RCKADYZJZDJBFU-VUBLIPMDSA-N	248.351	2.878	50	40	BFGB	
BrCCOc1noc2ccccc12	96529669	BXLVCJYWWZFSCG-UHFFFAOYSA-N	242.072	2.602	50	40	BFGB	
CCCCCCC(=O)N/N=C/c1ccccc1O	1956812	LJORFICVEXALGT-RVDMUPIBSA-N	248.326	2.813	50	40	BFGB	
COC(=O)/C(C#N)=C1/C[C@H]2CC[C@]1(C)C2(C)C	5425866	FPTXIHVRRSJXID-PQJVVCHSSA-N	233.311	2.826	50	40	BFGB	
CC[C@@H](Cl)C(=O)Nc1ccc(F)cc1	8183792	YFWFOPBHCSEZMY-SECBINFHSA-N	215.655	2.782	50	40	BFGB	in-vitro
CC1(C)[C@@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CCl	4973972	FLUMHSYXYCELKC-VDDIYKPWSA-N	229.751	2.556	50	40	BFGB	
ClC[C@@H]1CN[C@H](c2ccc(Cl)cc2)O1	20268007	XJJPFRUMIOXIRJ-ZJUUUORDSA-N	232.110	2.566	50	40	BFGB	
O=S1(=O)CCC[C@@H]1[C@@H](Cl)c1ccccc1	5052544	AKLDOPKGYNASAB-MNOVXSKESA-N	244.743	2.544	50	40	BFGB	
CCOC(=O)N/N=C(\C)c1ccc(C)c(C)c1	5163788	VIIVULOWNSKCNQ-SDNWHVSQSA-N	234.299	2.774	50	40	BFGB	
N#CC(C#N)=C/C=C\c1cccc([N+](=O)[O-])c1	16975388	SUUDBEARADVQJK-IWQZZHSRSA-N	225.207	2.582	50	40	BFGB	
COc1ccc(F)cc1C(=O)[C@H](C)Cl	26514467	CEVOGASEXVLZCA-LURJTMIESA-N	216.639	2.644	50	40	BFGB	
O=C(CCCl)N[C@H]1CCCc2ccccc21	32626783	XXBNQGPXUWOBMS-LBPRGKRZSA-N	237.730	2.809	50	40	BFGB	in-vitro
C[C@@H](Cl)C(=O)c1ccc(N(C)C)cc1	36203286	FPSBGDSOKKZYTD-MRVPVSSYSA-N	211.692	2.563	50	40	BFGB	
CN1CCC[C@@H](c2cccc(C(=O)Cl)c2)C1	32918932	PZXQLEXSRJBKJV-GFCCVEGCSA-N	237.730	2.875	50	40	BFGB	
CC(C)NC(=O)/C(C#N)=C\c1cccc(Cl)c1	6827600	XOTCDSUBUDJZSM-WDZFZDKYSA-N	248.713	2.772	50	40	BFGB	
COC(=O)/C(C#N)=C1/C=C(C)CC(C)(C)C1	16607122	QWHZSGVXODTZSW-KHPPLWFESA-N	219.284	2.746	50	40	BFGB	
CCN(Cc1cccc(C)c1)C(=O)CCl	37501649	BIOCFHKUDNDBOP-UHFFFAOYSA-N	225.719	2.582	50	40	BFGB	in-vitro
O=C(CCl)c1cc(F)cc(Cl)c1	95916238	DLMGPKPCPNUCAI-UHFFFAOYSA-N	207.031	2.901	50	40	BFGB	
CCN(Cc1cccc(Cl)c1)C(=O)CCl	37501650	JNALXPBOZKMHPR-UHFFFAOYSA-N	246.137	2.927	50	40	BFGB	
C=CC[C@@H](C)/C(C)=C(/C#N)C(=O)OCC	1717289	OLYFJUDDJLWVEK-ZAGORRGESA-N	207.273	2.602	50	40	BFGB	
C[C@@H](Br)C(=O)c1cccc(F)c1	34102947	FUWLUTOKEUZKCM-ZCFIWIBFSA-N	231.064	2.792	50	40	BFGB	
O=C(Cl)Cc1c(F)c(F)c(F)c(F)c1F	1627049	UUHZXQCRVUYLII-UHFFFAOYSA-N	244.546	2.690	50	40	BFGB	
Cc1cc(/C=C(\C#N)c2nc(C)cs2)[nH]n1	6412667	DXOKTNVAFWKRDU-RUDMXATFSA-N	230.296	2.547	50	40	BFGB	
CC(C)(C)OC(=O)N1CCC[C@H]1CCl	38363902	KTDOGEILJSFSSG-QMMMGPOBSA-N	219.712	2.625	50	40	BFGB	in-vitro
ClCc1cn2c(Cl)cccc2n1	74375541	REUDNXSIFYNMOE-UHFFFAOYSA-N	201.056	2.727	50	40	BFGB	
CCOC(=O)N/N=C(\C)[C@H]1C[C@H]2CC[C@@H]1C2	4144615	AHHMMDWWIPBZFE-OJPJFKCNSA-N	224.304	2.545	50	40	BFGB	
COC(=O)c1ccc(C(=O)[C@H](C)Cl)c(C)c1	309212350	HUWGSPMFHUJYEP-QMMMGPOBSA-N	240.686	2.592	50	40	BFGB	
Cc1ccc2nc(NC(=O)CCl)sc2c1	372404	UKCZXXXZRMGCMJ-UHFFFAOYSA-N	240.715	2.782	50	40	BFGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1ccccn1	12284784	DATACIMLAIVDGY-JLHYYAGUSA-N	249.273	2.627	50	40	BFGB	
COc1ccc2c(c1)C(Cl)=C(C=O)CC2	34521220	SAGGDHBJEMMRSX-UHFFFAOYSA-N	222.671	2.790	50	40	BFGB	
O=[S@](Cl)C(Cl)=C(Cl)Cl	104232042	NLBFKDNVKWCPHK-MRVPVSSYSA-N	213.900	2.732	50	40	BFGB	
BrCCOCC1CCCC1	85487816	VSBOBNVCPDVDBX-UHFFFAOYSA-N	207.111	2.588	50	40	BFGB	
CC1(C)C=C(CBr)C(C)(C)N1[O]	163656337	GSMHQVXGYPNFNX-UHFFFAOYSA-N	233.129	2.526	50	40	BFGB	
N#CC(C#N)=Cc1ccc(N2CCCC2)c(F)c1	798122	QOHPSRQZAAFMBK-UHFFFAOYSA-N	241.269	2.856	50	40	BFGB	
O=C(N/N=C/C=C/c1ccco1)NC1CCCC1	65672060	PFLLHIXWYAHHQZ-IHQIRTPXSA-N	247.298	2.520	50	40	BFGB	
O=C(NCCC1=CCCCC1)C(Cl)Cl	5382459	CFLGROKYUCCQNA-UHFFFAOYSA-N	236.142	2.797	50	40	BFGB	
COc1ccc(Cl)cc1C(=O)Cl	15446338	JVLUMHRASWENRU-UHFFFAOYSA-N	205.040	2.728	50	40	BFGB	
N#Cc1ccc(C(=O)CCCCl)cc1	43212755	ZABYFCCOAMQFMR-UHFFFAOYSA-N	207.660	2.760	50	40	BFGB	
CCOc1ccc([C@@H](Cl)C#N)cc1OC	95094233	UEUPIVYUKBUDSY-VIFPVBQESA-N	225.675	2.897	50	40	BFGB	
Clc1cnc(CBr)c(Cl)n1	95883983	PGCVPNXLBYCGBQ-UHFFFAOYSA-N	241.903	2.678	50	40	BFGB	
CC1(C)[C@H]2CC[C@@]1(CC(=O)O)[C@H](Cl)C2	100133157	OXJNTOQBZAXOPC-VAOFZXAKSA-N	216.708	2.895	50	40	BFGB	in-vitro
O=C(Cl)c1cc(F)cc(Cl)c1O	199770205	HIHWXPDRWDZOSB-UHFFFAOYSA-N	209.003	2.564	50	40	BFGB	
Cc1cccc2c1OCCCC2=C(C#N)C#N	5748250	YAGNPDAHSQXAKJ-UHFFFAOYSA-N	224.263	2.968	50	40	BFGB	
Oc1cc(Cl)cc(CBr)c1	238691317	JGQVKHITCKVEFG-UHFFFAOYSA-N	221.481	2.941	50	40	BFGB	
O=C(CBr)c1cc2ccccc2[nH]1	1558405	AFBWFQXGVILQRR-UHFFFAOYSA-N	238.084	2.746	50	40	BFGB	
O=C=Nc1ccc2c(c1)C(F)(F)OC(F)(F)O2	2382357	MWFKCAONPRJVKK-UHFFFAOYSA-N	249.119	2.663	50	40	BFGB	
O=C[C@H](Cl)Cc1ccccc1Cl	36204249	OFIITVGIPGZHRV-MRVPVSSYSA-N	203.068	2.689	50	40	BFGB	
O=C(NCc1ccco1)c1cccc(CCl)c1	36379778	TUVXAIHKJMJPBR-UHFFFAOYSA-N	249.697	2.948	50	40	BFGB	in-vitro
C[C@@H](c1ccccc1F)N(C)C(=O)[C@@H](C)Cl	37830264	ZLENWMHHDNSFIN-BDAKNGLRSA-N	243.709	2.972	50	40	BFGB	
Nc1ccc([C@@H](O)C(Cl)Cl)c(Cl)c1	3184521	YJJQMDVRCASGGQ-SSDOTTSWSA-N	240.517	2.759	50	40	BFGB	
C#C[C@@H](C)[P@](=O)(OC)O[Si](C)(C)C	205483024	FLFJTBNHGKGLLY-PELKAZGASA-N	220.281	2.699	50	40	BFGB	
C/C(C=O)=C\c1cc(Cl)cc(C)c1O	216763600	JKGGOAORQGGOGQ-XVNBXDOJSA-N	210.660	2.956	50	40	BFGB	
CCCCNC(=O)/C(C#N)=C\c1ccsc1	96663424	KBDSAFKXPDFNSQ-XFFZJAGNSA-N	234.324	2.571	50	40	BFGB	
O=C/C(Br)=C\c1ccccc1	153096	WQRWNOKNRHCLHV-RMKNXTFCSA-N	211.058	2.621	50	40	BFGB	
C/C(=N/NC(=O)c1ccoc1C)C(C)(C)C	33284319	BDSDAYJDNDPRGH-LCYFTJDESA-N	222.288	2.740	50	40	BFGB	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1cccnc1	786596	UHPMTQIJCWSMGL-UHFFFAOYSA-N	248.289	2.920	50	40	BFGB	
COC(=O)N/N=C1/C[C@H](C)CC(C)(C)C1	6199778	FAMKEJXWJBLAPY-ILETWAPCSA-N	212.293	2.545	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc(C#N)cc1	307749541	GZVGWVBMDACTNE-SNVBAGLBSA-N	207.660	2.758	50	40	BFGB	
Cc1ccc(OCc2noc(CCl)n2)cc1	166478	JMIICLSRTGZOQN-UHFFFAOYSA-N	238.674	2.696	50	40	BFGB	
CC1(C)[C@@H](CBr)CC[C@]1(C)C(=O)O	3845903	YQVIHPCUIKAVMS-GMSGAONNSA-N	249.148	2.908	50	40	BFGB	biogenic
COc1ccc(C(=O)Cl)cc1Cl	5661774	GAPGQBDURBPRLG-UHFFFAOYSA-N	205.040	2.728	50	40	BFGB	
C[C@@H](Cl)C(=O)N(CCC#N)c1ccccc1	3278169	YCNHVRZRJLTKBX-SNVBAGLBSA-N	236.702	2.561	50	40	BFGB	
Cc1ccccc1[C@H](C)NC(=O)[C@H](C)Cl	37389523	JFQPHODKVGGOPX-UWVGGRQHSA-N	225.719	2.800	50	40	BFGB	in-vitro
Fc1ccc(CCBr)c(F)c1	55239337	RSBJMWJOKSSURV-UHFFFAOYSA-N	221.044	2.902	50	40	BFGB	in-vitro
O=C1O[P@@](=O)(Cl)Oc2ccccc21	72399370	UVJIYKJXYWOZRA-CYBMUJFWSA-N	218.532	2.583	50	40	BFGB	in-vitro
CC(C)c1noc([C@H](C)Br)n1	95097280	VDCYQLITTXPSLL-YFKPBYRVSA-N	219.082	2.649	50	40	BFGB	
Cc1ccc2nc(NC=C(C#N)C#N)sc2c1	91075	RAHYPCATYFABSO-UHFFFAOYSA-N	240.291	2.948	50	40	BFGB	
CCCCNC(=O)c1ccc(CCl)cc1	36930049	VZIKCNLKNWDJSA-UHFFFAOYSA-N	225.719	2.955	50	40	BFGB	
Cc1ccc2cc(C=C(C#N)C#N)c(=O)[nH]c2c1C	421498	IQRRFMKREKVZJC-UHFFFAOYSA-N	249.273	2.576	50	40	BFGB	
CC(C)(C)C1CCC(NC(=O)CCl)CC1	1674006	LARCNSYEWOQQCU-UHFFFAOYSA-N	231.767	2.946	50	40	BFGB	in-vitro
CCOC(=O)/C(OCC)=C(/C#N)c1ccccc1	1752290	WVXFCXXGPGNGGX-OUKQBFOZSA-N	245.278	2.521	50	40	BFGB	
C/C(CC[C@H](C)c1ccc(C)cc1)=N\NC(N)=O	4266638	HVLSSFIEHNVHNK-NRMVZKHRSA-N	247.342	2.923	50	40	BFGB	
CC(C)(C)c1ccc(CC/C=N/NC(N)=O)cc1	5293223	PCWMOMOLBUVUMF-MHWRWJLKSA-N	247.342	2.571	50	40	BFGB	
O=C(CCCCl)Nc1cc(F)ccc1F	19075207	DWJCYVQBZHNYII-UHFFFAOYSA-N	233.645	2.922	50	40	BFGB	
C/C(=N\NC(=O)CC(C)C)c1ccc(F)cc1	5726961	LUBPWQLSKSNDIT-XNTDXEJSSA-N	236.290	2.712	50	40	BFGB	
Cn1c(CCl)nc2cc(Cl)ccc21	32625242	DNIBZLGRWJPYMA-UHFFFAOYSA-N	215.083	2.966	50	40	BFGB	in-vitro
CC(C)C(=O)/C(C#N)=C/c1cccc(C#N)c1	44027191	JOQCWYQZFGVUEQ-NTUHNPAUSA-N	224.263	2.690	50	40	BFGB	
COc1cccc(Cn2cncc2CCl)c1	85216401	VIRKGOJLECJQAC-UHFFFAOYSA-N	236.702	2.679	50	40	BFGB	
O=C(Cl)c1cc2ccccc2c(=O)s1	2554157	UIHSEFTWKHEWFN-UHFFFAOYSA-N	224.668	2.641	50	40	BFGB	
N#C/C(C(=O)C1CC1)=C1\Nc2ccccc2S1	3212232	QMMHGKWLRZNQSG-LCYFTJDESA-N	242.303	2.918	50	40	BFGB	
CN1CC[C@H](CCl)[C@H](c2ccccc2)C1	5551478	YNYLGBWPOXGKMW-OLZOCXBDSA-N	223.747	2.961	50	40	BFGB	
O=C(NN=C1CCCCCC1)c1ccc(O)cc1	5672842	VZVMEARLQJJVKP-UHFFFAOYSA-N	246.310	2.832	50	40	BFGB	
Cc1cc(-c2nnc(CCl)o2)c(C)o1	4204719	FABWAGDIYMEXOV-UHFFFAOYSA-N	212.636	2.685	50	40	BFGB	in-vitro
CCOC(=O)N/N=C(\C)c1cc2ccccc2o1	5163793	XJERHZXYYQTMBP-NTEUORMPSA-N	246.266	2.903	50	40	BFGB	
COc1ccc(CI)cc1	6484410	DZOJRAXIUZWNIN-UHFFFAOYSA-N	248.063	2.630	50	40	BFGB	in-vitro
COc1ccc([C@H](Cl)C#N)cc1OC	34349650	AFSNCSXRLHCEKN-MRVPVSSYSA-N	211.648	2.507	50	40	BFGB	
C[C@@H](Br)C#Cc1ccccc1	196336463	PJKBUAHLJRBXIQ-SECBINFHSA-N	209.086	2.822	50	40	BFGB	
ClCC(CCl)OC(CCl)CCl	72399463	QMDIZIDCORWBJK-UHFFFAOYSA-N	239.957	2.695	50	40	BFGB	in-vitro
CCc1ccc(C(=O)CCC(=O)Cl)cc1	95836244	FSBXLXWDGVMXSB-UHFFFAOYSA-N	224.687	2.977	50	40	BFGB	
O=C1c2cc(Cl)ccc2OC[C@@H]1Cl	6513401	CYWGYUGWLRNOIO-ZETCQYMHSA-N	217.051	2.523	50	40	BFGB	
NC(=O)N/N=C1/CCCC/C1=C\c1ccccc1	102932591	GNVIWFXVADWHRJ-YCNRLPBWSA-N	243.310	2.668	50	40	BFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2)C1CCCCC1	225679999	OKUXOAZKYHVMTC-FEZJNQRGSA-N	246.354	2.881	50	40	BFGB	
Cc1ccccc1-c1nnc(CCl)o1	9280310	WYBTUWWHFTYKJR-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	in-vitro
CCOc1ccccc1C(=O)CBr	19843003	APYWRCOHDUNRLS-UHFFFAOYSA-N	243.100	2.663	50	40	BFGB	in-vitro
O=C(CBr)Cc1ccc(Cl)cc1	34356253	GLUIQHUZOIOCAA-UHFFFAOYSA-N	247.519	2.847	50	40	BFGB	in-vitro
O=C(N/N=C\c1ccccc1F)c1ccccc1	33295897	BXIIVGFLDBHJKU-YBEGLDIGSA-N	242.253	2.590	50	40	BFGB	
Cc1cccc2c1N(C(=O)CCl)CCC2	37391416	NHXMRVLOGGJBAI-UHFFFAOYSA-N	223.703	2.513	50	40	BFGB	
O=CC1=C(c2ccc(Cl)cc2)CC[C@H](O)C1	117640500	DQKFXPPLUISPEX-LBPRGKRZSA-N	236.698	2.837	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2	225631025	NUPFPBLLUREADH-ZLHKQHFCSA-N	244.294	2.516	50	40	BFGB	
CCOC(=O)/C(C#N)=C/c1ccc(CC)cc1	2379699	CYDZUCIBWIEAPO-UKTHLTGXSA-N	229.279	2.719	50	40	BFGB	
C[C@@H](N=C=O)c1ccc(Br)cc1	2548102	AKVAGWOVWQDTAF-SSDOTTSWSA-N	226.073	2.846	50	40	BFGB	in-vitro
CCCCNCCO[C@@H]1CCC[C@@H]1Cl	5419919	CLPSZZSKWDBFNS-WDEREUQCSA-N	219.756	2.553	50	40	BFGB	
CCO[C@@H](O[Si](C)(C)C)C(F)(F)F	205153109	UNZULPIVPZKAQP-LURJTMIESA-N	216.275	2.763	50	40	BFGB	
COc1ccc(CCl)c(C)c1OC	1683511	CISNBGKDIUZQLH-UHFFFAOYSA-N	200.665	2.751	50	40	BFGB	
C[C@@H](Cl)C(=O)N1c2ccccc2CC[C@H]1C	19429833	PTUVKKDISBBSLU-NXEZZACHSA-N	237.730	2.982	50	40	BFGB	
O=C/C=C\c1cccc(Br)c1	33557187	QICJGJJHIQBWJR-RQOWECAXSA-N	211.058	2.661	50	40	BFGB	
O=C(CCl)Nc1cc(-c2ccccc2)on1	57218789	PUGNORZKZZYGKT-UHFFFAOYSA-N	236.658	2.519	50	40	BFGB	
O=[N+]([O-])c1ccc2nc([C@@H](F)Cl)[nH]c2c1	72265960	NIGREIJSUYSDFW-SSDOTTSWSA-N	229.598	2.678	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@@H]1C=CC(=O)C1	195812575	DAPZSGCXUJECAI-SNVBAGLBSA-N	212.365	2.906	50	40	BFGB	
O=C(NCCCl)Nc1cccc2c1CCC2	1623700	ZAALFVMMOQCRGR-UHFFFAOYSA-N	238.718	2.536	50	40	BFGB	
CCCC[C@H](CC)CN(N=O)C(=O)OC	5554311	DSAATBPGHAKPFJ-VIFPVBQESA-N	216.281	2.953	50	40	BFGB	
FC(F)(F)c1ncccc1N=C=S	1776010746	UDNNMYDPFWXALM-UHFFFAOYSA-N	204.176	2.835	50	40	BFGB	
Cc1cn(C(C#N)=C(C#N)C#N)c2ccccc12	1669381	BQZUEHYXCLMZBK-UHFFFAOYSA-N	232.246	2.732	50	40	BFGB	
ClCc1cc(Cl)c2c(c1)OCCO2	4206282	NRKPLPNTCNHLKZ-UHFFFAOYSA-N	219.067	2.850	50	40	BFGB	in-vitro
COc1ccc(CC(C)=C(C#N)C#N)cc1OC	4323734	YNKQGPAIYBXZPG-UHFFFAOYSA-N	242.278	2.610	50	40	BFGB	
C/C(=N\NC(=O)c1ccco1)c1ccc(F)cc1	13736745	XEAYHWBKOVYHNN-OQLLNIDSSA-N	246.241	2.573	50	40	BFGB	
CCc1cc(CBr)ccn1	30677792	VXBCENSSPUOYEF-UHFFFAOYSA-N	200.079	2.539	50	40	BFGB	
F[C@H](OCCCl)C(Cl)(Cl)Cl	68591141	VIYKDVMNHIFUHN-GSVOUGTGSA-N	229.893	2.908	50	40	BFGB	
N#CSc1c[nH]c2cccc([N+](=O)[O-])c12	2541450	FDQWHYSXVRDVMV-UHFFFAOYSA-N	219.225	2.649	50	40	BFGB	
CC(=O)c1ccc(C[C@@H](C#N)SC#N)cc1	2784860	NDEDWOSIWTWBCM-LBPRGKRZSA-N	230.292	2.538	50	40	BFGB	
O=C(CBr)Cc1ccccc1Cl	84199242	OWQQZWHZLRSDIM-UHFFFAOYSA-N	247.519	2.847	50	40	BFGB	
CC1=CC(=C(C#N)C#N)c2ccccc2N1C	1701043	WBWKMDFHHUOQLV-UHFFFAOYSA-N	221.263	2.841	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(C)/C(=N/NC(=O)CCl)C2	3886259	OBYXIOFDPWYYST-VLEHADILSA-N	242.750	2.544	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)c1ccccc1OC	16123508	ISRBLJKGTFOMDJ-ZRDIBKRKSA-N	245.278	2.555	50	40	BFGB	
O=C(CCCCl)Nc1c(F)cccc1F	19075205	CVQHJCOKXOHRCQ-UHFFFAOYSA-N	233.645	2.922	50	40	BFGB	
O=C=Nc1cc(F)cc(Br)c1	37034407	SIOKYKPILYGSTR-UHFFFAOYSA-N	216.009	2.556	50	40	BFGB	in-vitro
O=CC1=C(Cl)CC[C@]2(C1)CC2(F)F	217601718	DRKOINKZAMSQQM-QMMMGPOBSA-N	206.619	2.888	50	40	BFGB	
O=[S@](OCCCl)c1ccc(Cl)cc1	228950484	KXWLUSFKAAJHNT-CYBMUJFWSA-N	239.123	2.618	50	40	BFGB	
Cc1cccc(NC(=O)N(CCCl)N=O)c1	4963078	SKWQLUMSSVMUNN-UHFFFAOYSA-N	241.678	2.749	50	40	BFGB	
CC(C)Oc1cccc(NC(=O)CCl)c1	13609029	QRWCTZABVVXKII-UHFFFAOYSA-N	227.691	2.651	50	40	BFGB	
CCCOc1ccc(F)cc1C(=O)Cl	83183432	VSNTTXIOTKTXRD-UHFFFAOYSA-N	216.639	2.994	50	40	BFGB	
CC1(C)CCCC2=C1C[C@@H]1C(=O)OC(=O)[C@@H]1C2	100472727	PMCKZAHMLHCQQZ-ZJUUUORDSA-N	234.295	2.603	50	40	BFGB	
CC(C(=O)F)(C(F)(F)F)C(F)(F)F	2560083	LKMMDSMLDJMRSU-UHFFFAOYSA-N	212.064	2.613	50	40	BFGB	in-vitro
C[C@@H]1CCC/C(=N\NC(=O)c2ccco2)C1	5527975	ABSVVNNSULQUNG-YPJZTRPGSA-N	220.272	2.576	50	40	BFGB	
O=Cc1cc(Br)c(O)c(CCl)c1	225721002	YUBHXTWPSSRGEU-UHFFFAOYSA-N	249.491	2.706	50	40	BFGB	
CCOc1cc(C=C(C#N)C#N)cc(Cl)c1O	3570206	WERDJYZLZGAGIA-UHFFFAOYSA-N	248.669	2.875	50	40	BFGB	
Fc1ccc(CI)cc1	1626869	UULYZGVRBYESOA-UHFFFAOYSA-N	236.027	2.761	50	40	BFGB	
C/C(=N\NC(=O)C1CC1)c1ccc(Cl)cc1	5164117	SHLNNKMDCUGRGP-RIYZIHGNSA-N	236.702	2.590	50	40	BFGB	
CSc1ccc(CN(C)C(=O)CCl)cc1	8183737	FUPYLSPCVMCPQP-UHFFFAOYSA-N	243.759	2.606	50	40	BFGB	
O=C(Cl)CCSc1ccccc1	33432975	FYKDFHHXZAIXDR-UHFFFAOYSA-N	200.690	2.934	50	40	BFGB	
CC[C@H](C)C(=O)NN=C1C2CC3CC(C2)CC1C3	44004257	ULTYPWINPTUYMC-TWJXAIAZSA-N	248.370	2.961	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2	100091993	ZWRHZCDJUHUGET-LXUNUROVSA-N	229.751	2.555	50	40	BFGB	
CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@@H](Br)C2	100746551	HZHUVUVILWOHBY-MATHAZKKSA-N	231.133	2.775	50	40	BFGB	
CC1(C)[C@@H]2CC(=O)[C@@]1(C)[C@H](Br)C2	4228145	HZHUVUVILWOHBY-NYNCVSEMSA-N	231.133	2.775	50	40	BFGB	
O=C(CN1CCCC[C@@H]1Cl)c1ccccc1	5069100	PMTQYTQQNWZEIN-CYBMUJFWSA-N	237.730	2.920	50	40	BFGB	
ClCSc1ccccc1C1=NCCCN1	1575165	KFZIRKVHMHKVNC-UHFFFAOYSA-N	240.759	2.715	50	40	BFGB	
ClC[C@@H]1CO[C@H](c2ccccc2Cl)O1	1674887	GIMPQTBULMJYJR-XCBNKYQSSA-N	233.094	2.993	50	40	BFGB	
CCCC[C@H](CC)COC[C@@H](O)CCl	16637687	VQMJOZXWGXOUPB-QWRGUYRKSA-N	222.756	2.819	50	40	BFGB	
C[C@@H](Cl)C(=O)N1CCCc2ccccc21	3278056	HGZBRNUARKFHGK-SECBINFHSA-N	223.703	2.593	50	40	BFGB	in-vitro
CCOC(=O)N1CCCC[C@@H]1CCCl	4716428	LEYIPJCZAUNTHU-SECBINFHSA-N	219.712	2.626	50	40	BFGB	in-vitro
COC(=O)/C=C/c1ccc(CCl)cc1	19721577	POUZKYNWDFWZMJ-VOTSOKGWSA-N	210.660	2.612	50	40	BFGB	
O=C(CCl)c1ccc(C(=O)CCl)cc1	1557995	VBFMNIIECWURAD-UHFFFAOYSA-N	231.078	2.530	50	40	BFGB	biogenic
C[C@H](Cc1ccccc1)NCCCCl	1720431	XXVROGAVTTXONC-LLVKDONJSA-N	211.736	2.836	50	40	BFGB	in-man
ClCc1noc(/C=C/c2ccccc2)n1	4289118	OSRIIPKWBQSWMH-VOTSOKGWSA-N	220.659	2.979	50	40	BFGB	
CC(C)N(C(=O)CCl)[C@H](C)c1ccccn1	79421773	GLGBZMMDYBITLA-SNVBAGLBSA-N	240.734	2.618	50	40	BFGB	
O=C(CCl)c1c(Cl)ccnc1Cl	199753513	OTVZPHNQZHHSJJ-UHFFFAOYSA-N	224.474	2.810	50	40	BFGB	
O=Cc1cc(F)cc(CBr)c1	98210778	KTRILTQPYHNWMJ-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)[C@@H]2Br	2510465	OBHCEFJZOKLDIF-JMOVZRAMSA-N	247.132	2.661	50	40	BFGB	
Cc1ccc([C@@H](C)NC(=O)CCl)cc1C	3888178	BBIQIWUWCIMXDN-SNVBAGLBSA-N	225.719	2.719	50	40	BFGB	in-vitro
CCCCNC(=C(C#N)C#N)c1ccccc1	5192920	FWXUDMPVXFEDOD-UHFFFAOYSA-N	225.295	2.835	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccccc1C#N	307359997	DRJMDFDQWKLRCA-JTQLQIEISA-N	207.660	2.758	50	40	BFGB	
C/C(=N\NC(=O)C1CC1)c1ccc(C)cc1C	353830	QHRJJDYYICXJDB-RVDMUPIBSA-N	230.311	2.554	50	40	BFGB	
Cc1cc(C(F)(F)F)nn1CCCN=C=S	2537932	HOCGNFHUZNBNGR-UHFFFAOYSA-N	249.261	2.703	50	40	BFGB	
CCc1ccccc1NC(=O)[C@@H](C)Cl	19517564	LEROANWUUHYKKV-MRVPVSSYSA-N	211.692	2.815	50	40	BFGB	in-vitro
Cc1cc(CBr)cc([N+](=O)[O-])c1	115232838	HAZNQZPKIIYODB-UHFFFAOYSA-N	230.061	2.798	50	40	BFGB	
Cc1cc2cc(C=C(C#N)C#N)c(=O)[nH]c2cc1C	13555077	TWKVLWXMOQNJMC-UHFFFAOYSA-N	249.273	2.576	50	40	BFGB	
CC(C)(C)c1cnc(CCBr)o1	85391399	UCRNVHUILPMVQT-UHFFFAOYSA-N	232.121	2.910	50	40	BFGB	
FC(F)(F)C[C@@H](Cl)Br	100036716	HHORFCCGNBAAOU-UWTATZPHSA-N	211.408	2.899	50	40	BFGB	in-vitro
C[C@H]1CCCC/C1=N/NC(=O)c1ccccc1	103056921	AFLUFEWWPWSSRT-YLCNQMKUSA-N	230.311	2.983	50	40	BFGB	
O=C(Cl)c1cc(Cl)c(F)cc1F	238598183	UYAIAVLGUQQECX-UHFFFAOYSA-N	210.994	2.997	50	40	BFGB	
Fc1ccc(-c2nnc(CCl)o2)cc1	2650159	QHQRMDRNRFBTPI-UHFFFAOYSA-N	212.611	2.615	50	40	BFGB	in-vitro
O=C(CCl)Nc1ccc2c(c1)CCCC2	41722396	FDAUHAVGGMTTBP-UHFFFAOYSA-N	223.703	2.743	50	40	BFGB	
ClCc1nc(Cl)cc(-c2cccnc2)n1	62701755	UTLLWEYGDPJAJV-UHFFFAOYSA-N	240.093	2.931	50	40	BFGB	
Cc1c(F)cccc1C(=O)[C@@H](C)Cl	238427499	QHTQALIDMZIFGP-SSDOTTSWSA-N	200.640	2.944	50	40	BFGB	
CC[C@@H](Br)[C@H](C)Br	1679998	LWBRXRHBXMVUEX-CRCLSJGQSA-N	229.943	2.943	50	40	BFGB	in-vitro
CCCCC#CCN(CCCl)CCCl	1766359	YVRVWHHODFVGKM-UHFFFAOYSA-N	236.186	2.960	50	40	BFGB	
CCCCC[C@@]1(C)OC(=O)C[C@@H]1Cl	4804546	SAOIVSYYVCZVDJ-WCBMZHEXSA-N	204.697	2.880	50	40	BFGB	
CC(C)(C)OC(=O)N/N=C\c1ccccc1	33284823	LKKATZANDADGPR-LCYFTJDESA-N	220.272	2.545	50	40	BFGB	
O=C(N/N=C\c1ccccc1)Nc1ccccc1	33306230	SXCIVFODNMDTER-PTNGSMBKSA-N	239.278	2.842	50	40	BFGB	
O=C(CCCCl)Nc1ccc(F)cc1F	5670764	GZBOGCMDQIFLPK-UHFFFAOYSA-N	233.645	2.922	50	40	BFGB	
CCc1ccc(-n2nc(C)c(C(=O)Cl)n2)cc1	57353035	JUSPMXZSVLTDCK-UHFFFAOYSA-N	249.701	2.517	50	40	BFGB	
CO[C@@H](C)c1ccc(C(=O)CCl)cc1	72220046	SGCDBDLCEKFCGK-QMMMGPOBSA-N	212.676	2.816	50	40	BFGB	
CC(C)[C@@H](Br)CBr	79093705	XCVOFNNXLRFMGX-YFKPBYRVSA-N	229.943	2.801	50	40	BFGB	
CCN(Cc1ccccc1)C(=O)[C@H](C)Cl	6205430	RJTWLMRZWGTQQM-JTQLQIEISA-N	225.719	2.662	50	40	BFGB	
BrCc1ccc(Br)o1	54711026	UMVPLLFFXMZXPF-UHFFFAOYSA-N	239.894	2.937	50	40	BFGB	
O=[S@](Cl)C12CC3CC(CC(C3)C1)C2	100488834	BHZSRFGORFYGLW-PCPLELDZSA-N	218.749	2.858	50	40	BFGB	
CC1(C)[C@@H]2CC(=O)[C@@]1(C)C[C@H]2Br	345711	CQQIQTIKYYOMEP-BRDIYROLSA-N	231.133	2.775	50	40	BFGB	
CC(=O)OCc1ccc2oc(CCl)nc2c1	43827426	FJNOZCZSXVOKSP-UHFFFAOYSA-N	239.658	2.630	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1cccc(OC)c1	71423520	OVEUFOXJKGORMV-SNVBAGLBSA-N	212.676	2.895	50	40	BFGB	
O=C(CCl)c1ccc(F)c(F)c1F	84193601	RWALIDMPLINDNB-UHFFFAOYSA-N	208.566	2.525	50	40	BFGB	
Cc1ccc(C)c(O[C@H](C)C(=O)Cl)c1	33433238	VRWHEUQTCFUWFL-SECBINFHSA-N	212.676	2.836	50	40	BFGB	
O=C1C[C@@H]2CCCC[C@H]2C[C@H]1Br	5014668	UHWFJMIIIQHSRW-XHNCKOQMSA-N	231.133	2.919	50	40	BFGB	
O=C(NN=C1CCCCCC1)c1cccnc1	5163179	UGVRODIUENQCNZ-UHFFFAOYSA-N	231.299	2.522	50	40	BFGB	
CC(C)(C)NC(=O)[C@@H](Cl)c1ccccc1	5434515	USPRRWUFJXURLP-JTQLQIEISA-N	225.719	2.881	50	40	BFGB	
ClC[C@H]1CO[C@@H](/C=C/c2ccccc2)O1	17301724	LTJFSXKYSVJBLM-FNSAGKMKSA-N	224.687	2.680	50	40	BFGB	
C[C@@H]1CC=C(C#N)O[C@@H]1OCc1ccccc1	4267490	IPVCNKGPKGDABU-RISCZKNCSA-N	229.279	2.993	50	40	BFGB	biogenic
CCOC(=O)/C(C#N)=C/c1ccc(SC)cc1	68763	WANKHEREZAPKJP-DHZHZOJOSA-N	247.319	2.879	50	40	BFGB	
Cc1cncc(Oc2cccc(C(=O)Cl)c2)n1	12370717	YVVBBJRSYHOKJI-UHFFFAOYSA-N	248.669	2.956	50	40	BFGB	
S=C=Nc1ccc2c(c1)OCCCO2	19840537	ANICTJCZERDZGN-UHFFFAOYSA-N	207.254	2.582	50	40	BFGB	in-vitro
CCOC(=O)N/N=C(/C)c1ccccc1Cl	33797265	CXLBKMPAWCELFG-JYRVWZFOSA-N	240.690	2.810	50	40	BFGB	
N#Cc1ccc(OCCCCl)cc1F	87542691	WNVRSCGERNOGCC-UHFFFAOYSA-N	213.639	2.705	50	40	BFGB	
Cc1ccc(C(=O)C(Cl)Cl)cc1	97971797	UPIAQBGYLUPFBC-UHFFFAOYSA-N	203.068	2.981	50	40	BFGB	
Cc1ccc2c(c1)N[C@@H](Cl)N[C@@H]2Cl	100252401	GORATHZBKDNINS-DTWKUNHWSA-N	217.099	2.770	50	40	BFGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](OC(=O)CCl)C2	100262015	VSQKDAUZKNYBHR-KBVBSXBZSA-N	230.735	2.983	50	40	BFGB	
C[C@H]1CCc2ccccc2N1C(=O)CCCl	1689967	FQNVFACJBGOYPB-JTQLQIEISA-N	237.730	2.983	50	40	BFGB	
C/C(=N\NC(=O)c1ccccc1C)C(C)C	5620099	XZOIPLUGZSHQGR-SDNWHVSQSA-N	218.300	2.757	50	40	BFGB	
Cc1ccc2c(c1)C(C)(C)/C(=C/C=O)N2C	33302038	RHWGVXWMJFRPQK-QPEQYQDCSA-N	215.296	2.805	50	40	BFGB	
O=C(N=C=S)c1cccc(C(F)(F)F)c1	35660205	TUNQKHXTTHRRAB-UHFFFAOYSA-N	231.198	2.948	50	40	BFGB	in-vitro
CC(C)(C)OC(=O)N/N=C1/CCc2ccccc21	35772566	HPVMUPUSRTZWJX-QINSGFPZSA-N	246.310	2.862	50	40	BFGB	
N#C/C(C(=O)CCl)=C1\C=Cc2ccccc2N1	100316048	MYXIEZLONDAQEJ-BENRWUELSA-N	244.681	2.711	50	40	BFGB	
ClCC/N=C\c1ccc(Cl)cc1	104168482	VZVWQYUYEHMBOH-GHXNOFRVSA-N	202.084	2.998	50	40	BFGB	
CC(=O)Oc1cccc(C(=O)CCCCl)c1	43212811	GISMKOICDMQJSE-UHFFFAOYSA-N	240.686	2.814	50	40	BFGB	
BrCc1ccccc1C1OCCO1	66347932	ZRIMWIDRXCAOMK-UHFFFAOYSA-N	243.100	2.627	50	40	BFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1cccs1	4933908	KNVYHKJWGJLYDZ-XYOKQWHBSA-N	240.328	2.997	50	40	BFGB	
CSc1nn(CCl)c(=S)s1	5527692	KGODTXFFRHFQQK-UHFFFAOYSA-N	212.752	2.592	50	40	BFGB	
Cc1cccc(-c2nc(CCl)no2)c1	20285097	PHKTWKSTBQFLSM-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	in-vitro
CC[C@@H](Cl)C(=O)c1ccc(OC)cc1	71423512	GLMMOCQTWGQCTD-SNVBAGLBSA-N	212.676	2.895	50	40	BFGB	
CCCOc1cc(C(=O)Cl)ccc1F	95739802	VRPHDUOGWCYCRF-UHFFFAOYSA-N	216.639	2.994	50	40	BFGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccco2)C1	5529129	ABSVVNNSULQUNG-CVZWZAMJSA-N	220.272	2.576	50	40	BFGB	
C[C@@H]1CCC/C(=N\NC(=O)Cc2ccccc2)C1	12574592	HPZPUZFQHUJLAW-GASGDFKYSA-N	244.338	2.911	50	40	BFGB	
CN1CCCc2cc(SC#N)ccc21	794050	OMRJGLFGRJSYQC-UHFFFAOYSA-N	204.298	2.642	50	40	BFGB	
CCc1ccccc1C#CCBr	95632118	SVLJHQHMWDJMNZ-UHFFFAOYSA-N	223.113	2.995	50	40	BFGB	
Cc1ccc(C(=O)[C@H](C)Cl)c(F)c1	238423714	MADBSOXQQASNNC-ZETCQYMHSA-N	200.640	2.944	50	40	BFGB	
COc1ccc2c(CCl)cc(=O)oc2c1	490474	ISPBECDEFRIYTA-UHFFFAOYSA-N	224.643	2.540	50	40	BFGB	biogenic,in-vitro
COC1[C@@H](C)CC(Br)C[C@H]1C	12402958	AHSHSFBNBKORAS-QPIHLSAKSA-N	221.138	2.831	50	40	BFGB	
CCOC(=O)N[C@H]1Cc2ccccc2[C@H]1Cl	4002198	NPAKIBSOTNOMFJ-WDEREUQCSA-N	239.702	2.637	50	40	BFGB	
COc1c(C(=O)Cl)cc([N+](=O)[O-])c(C)c1C	57339782	FEXYHRFGNZAXER-UHFFFAOYSA-N	243.646	2.599	50	40	BFGB	
N#CC(C#N)=Cc1cccn1-c1ccccc1	59249167	MSYFEZFHEINTSB-UHFFFAOYSA-N	219.247	2.908	50	40	BFGB	
CC1(C)[C@@H]2CC[C@]1(C)[C@H](NC(=O)CCl)C2	100098242	PYXCVNYPFHGKLE-KBVBSXBZSA-N	229.751	2.556	50	40	BFGB	
CC(=O)O[C@H]1C[C@@H]2c3ccccc3[C@@H]1[C@@H]2Cl	104105705	NLHOTHYTGKMXGX-MROQNXINSA-N	236.698	2.810	50	40	BFGB	
COc1cc(F)c(C(=O)[C@H](C)Cl)cc1F	259301430	NHARTBAYZYUMKU-YFKPBYRVSA-N	234.629	2.783	50	40	BFGB	
O=C(N/N=C/c1ccsc1)c1cccs1	3527308	UMGDNTPEDUYHPG-IZZDOVSWSA-N	236.321	2.574	50	40	BFGB	
O=C(CCl)N(Cc1ccccc1F)C1CC1	4219091	FHACDHUPEDIQBA-UHFFFAOYSA-N	241.693	2.556	50	40	BFGB	
CC(C)NC(=O)/C(C#N)=C\C=C\c1ccccc1	40889280	LSZPTLRVDMTGPY-NHZNEZGNSA-N	240.306	2.674	50	40	BFGB	
Cc1sc(NC(=O)CCl)c(C)c1C	71373545	ADWGRUBYFQEQOX-UHFFFAOYSA-N	217.721	2.851	50	40	BFGB	in-vitro
C[C@@]12CC[C@@H](C[C@H]1O)[C@@]2(C)CBr	245204259	IZTHFLJIDXSODK-SGIHWFKDSA-N	233.149	2.569	50	40	BFGB	
C[C@]1(c2ccccc2)OC[C@@H](CCl)O1	1676827	BFBWNIQRFXNTDO-MNOVXSKESA-N	212.676	2.514	50	40	BFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1	13964209	KOMHHNSENNVSJW-YEPVGHTOSA-N	240.306	2.614	50	40	BFGB	
COc1ccc(C(=O)Cl)c(Cl)c1	34304776	SYAIPNCFYHEQMA-UHFFFAOYSA-N	205.040	2.728	50	40	BFGB	
BrCCCN1CCc2ccccc21	40989890	AUCOOHTWUASKDH-UHFFFAOYSA-N	240.144	2.834	50	40	BFGB	
ClCc1n[nH]c(-c2cccc(Cl)c2)n1	85385494	VBBUHYQKGCPUIM-UHFFFAOYSA-N	228.082	2.864	50	40	BFGB	
CC(C)OCc1cc(Cl)nc(CCl)n1	95094005	SXCFORNGLHVTNN-UHFFFAOYSA-N	235.114	2.794	50	40	BFGB	
O=C(COc1ccc(Cl)cc1)OCCCl	1758951	BQFWKSQRSYZOLI-UHFFFAOYSA-N	249.093	2.501	50	40	BFGB	
CC(C)CNC(=O)c1cccc(CCl)c1	36929925	YLKAEJMGOUINRS-UHFFFAOYSA-N	225.719	2.811	50	40	BFGB	in-vitro
O=C(N/N=C/Cc1ccccc1)c1cccs1	5682021	QDEPGNLSWTUJFH-NTEUORMPSA-N	244.319	2.706	50	40	BFGB	
Cc1sc2nc(CCl)nc(N)c2c1C	7986275	JBYRXDIWCGCYCN-UHFFFAOYSA-N	227.720	2.629	50	40	BFGB	in-vitro
O=C(N/N=C\c1cccs1)Nc1ccccc1	33326322	VTQSGKRPEXUDCB-LCYFTJDESA-N	245.307	2.904	50	40	BFGB	
CCN(C(=O)CCl)[C@H](C)c1ccc(F)cc1	37654208	WUXJUKPVASWMNM-SECBINFHSA-N	243.709	2.974	50	40	BFGB	in-vitro
N#CC(=C=N)C1=CC(=C(C#N)C#N)c2ccccc21	59921311	WNUXCAKXWDSZCO-UHFFFAOYSA-N	242.241	2.583	50	40	BFGB	
Br[C@@H]1CCC[C@H]1Br	100055623	LJCGLSZQABMYGU-RFZPGFLSSA-N	227.927	2.697	50	40	BFGB	
C/C=C(\C)C(=O)N/N=C\C=C/c1ccccc1	5707247	JOQXIPILJBRWIQ-NCPQVVBNSA-N	228.295	2.768	50	40	BFGB	
Cc1nc(C)c(CCCl)c(Cl)n1	45956671	NSEUTEVJLKUCNM-UHFFFAOYSA-N	205.088	2.528	50	40	BFGB	
CCCCSSCCC(=O)OC	1626929	VOPUXJWJTOZOCD-UHFFFAOYSA-N	208.348	2.731	50	40	BFGB	
O=C(CBr)OCCC1CCCCC1	1687147	NDDLBRFUCDVECC-UHFFFAOYSA-N	249.148	2.895	50	40	BFGB	
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CCl)C1	3287999	HGYJGKCRBKBQGD-CABZTGNLSA-N	229.751	2.652	50	40	BFGB	
CC(C)CC(=O)N/N=C1\CCC[C@H](C)C1	4646856	CKTWVRAOZKOYFB-GYXQTMOZSA-N	210.321	2.715	50	40	BFGB	
C[C@H](/C=N/NC(=O)c1ccco1)c1ccccc1	5528670	CVSWXVVUPCSUOS-HGLKBHAMSA-N	242.278	2.799	50	40	BFGB	
Cc1ccc(NNC(=O)NC2CCCCC2)cc1	16293217	VQAMCUZUXJKSFA-UHFFFAOYSA-N	247.342	2.954	50	40	BFGB	
C[C@@H](Oc1ccccc1Cl)C(=O)CCl	33464841	WFEMLSIRUWMXTB-SSDOTTSWSA-N	233.094	2.915	50	40	BFGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)O)[C@H]2Br	101041837	OBHCEFJZOKLDIF-JUWDTYFHSA-N	247.132	2.661	50	40	BFGB	
COc1c(F)cccc1C(=O)[C@H](C)Cl	238409785	KNHANCIWCKQTPC-LURJTMIESA-N	216.639	2.644	50	40	BFGB	
COC(=O)CCCCCCCC(=O)Cl	2559269	LIZJAMAJAXTVJS-UHFFFAOYSA-N	220.696	2.656	50	40	BFGB	
COc1cc(Cl)cc(C(=O)Cl)c1	39057291	PRQZJYZUENAVAF-UHFFFAOYSA-N	205.040	2.728	50	40	BFGB	
C[C@]1(Cc2ccccc2)OC[C@H](CCl)O1	1674908	FUJNHUPEHSGJQK-RYUDHWBXSA-N	226.703	2.600	50	40	BFGB	
CC(=O)c1ccc(NC(=O)CCCCl)cc1	4137156	ORLFSBZFEDHOLV-UHFFFAOYSA-N	239.702	2.847	50	40	BFGB	
COc1cc(C(=O)Cl)cc(Cl)c1OC	33434309	DVTYGMZORDYETL-UHFFFAOYSA-N	235.066	2.736	50	40	BFGB	
BrCc1cnc(C2CC2)s1	82416679	HVPQKYTVDLULAH-UHFFFAOYSA-N	218.119	2.915	50	40	BFGB	
CC[C@H](Br)CCBr	111341814	SOZLNIPBRVQUOG-YFKPBYRVSA-N	229.943	2.945	50	40	BFGB	
CCOC(=O)c1ccc(C(=O)[C@@H](C)Cl)cc1	309217212	LRLNLTSYFVCXHB-MRVPVSSYSA-N	240.686	2.673	50	40	BFGB	
CCc1sc(C=C(C#N)C#N)cc1[N+](=O)[O-]	483017	PPDRABYOMYEIMS-UHFFFAOYSA-N	233.252	2.649	50	40	BFGB	
CC1(C)[C@@H]2CC(=O)[C@@]1(C)[C@@H](Br)C2	4228144	HZHUVUVILWOHBY-MHYGZLNHSA-N	231.133	2.775	50	40	BFGB	
Cc1cccc(C(=O)N/N=C\c2cccs2)c1	33329737	QQOQEGCCEZQQFW-ZROIWOOFSA-N	244.319	2.820	50	40	BFGB	
O=C(C#Cc1ccccc1)CCCCl	306233833	FORFAAAAWBQHQS-UHFFFAOYSA-N	206.672	2.626	50	40	BFGB	
O/N=C(\CBr)c1ccccc1Cl	1553704215	IKJFXUIJYZZVOH-DHZHZOJOSA-N	248.507	2.913	50	40	BFGB	
CCCCCCCc1ccc(C(=O)NN)cc1	3030668	XGTSJTFQKHSHTR-UHFFFAOYSA-N	234.343	2.803	50	40	BFGB	
CC(C)=NNC(=O)Nc1cccc(C)c1C	5329369	XFYJTXRTWXJYOE-UHFFFAOYSA-N	219.288	2.821	50	40	BFGB	
CC1CCC(OC(=O)C(Cl)Cl)CC1	1685813	MJUXPNDMHHAZAO-UHFFFAOYSA-N	225.115	2.912	50	40	BFGB	
COc1ccc(C(=O)CCl)cc1Cl	4206246	MDRXXAAPROLVKD-UHFFFAOYSA-N	219.067	2.770	50	40	BFGB	
N#C/C(=C/c1ccc[nH]1)C(=O)Nc1ccccc1	16971986	DSACFZBIYBWMAD-LUAWRHEFSA-N	237.262	2.560	50	40	BFGB	
COC(=O)[C@@H](Cl)c1ccc(F)cc1C	50978280	SBDGKQCTJCZZOH-VIFPVBQESA-N	216.639	2.587	50	40	BFGB	
COc1ccc(NC(=O)CCCCl)c(C)c1	70913300	XNWDGEFPGSALAL-UHFFFAOYSA-N	241.718	2.961	50	40	BFGB	
O=CC1=C(c2ccc(Cl)cc2)CC[C@@H](O)C1	117640499	DQKFXPPLUISPEX-GFCCVEGCSA-N	236.698	2.837	50	40	BFGB	
COc1c(Cl)cc(C(=O)O)cc1SC#N	26508507	BMKGIQMOEXFYTG-UHFFFAOYSA-N	243.671	2.620	50	40	BFGB	
Cc1cc(C(=O)[C@H](C)Cl)ccc1F	31893341	WQJSKZAZMRVGRO-ZETCQYMHSA-N	200.640	2.944	50	40	BFGB	
C=CCSS(=O)(=O)c1ccc(C)cc1	36467730	CWKRVNUMBGAUGV-UHFFFAOYSA-N	228.338	2.603	50	40	BFGB	
CC(C)(CCl)C(=O)C#Cc1ccccc1	308824260	QUWHVGJJDSCVHI-UHFFFAOYSA-N	220.699	2.872	50	40	BFGB	
NC(=O)N/N=C1\CCCC\C1=C\c1ccccc1	31829801	GNVIWFXVADWHRJ-CULHNLHRSA-N	243.310	2.668	50	40	BFGB	
C[C@H](Cl)C(=O)c1ccccc1N(C)C	307110733	MKEXJYSTGNNNCR-QMMMGPOBSA-N	211.692	2.563	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)C1CCCCC1	16035611	KIFDVEVLKSZKEB-ZRDIBKRKSA-N	221.300	2.970	50	40	BFGB	
ClCc1nc(CCc2ccccc2)no1	42406788	ATHDFTJXQLEORO-UHFFFAOYSA-N	222.675	2.594	50	40	BFGB	in-vitro
COc1ccc2[nH]cc(/C=C(\C)C=O)c2c1	228919514	MCNOMUOMCPLSMI-WEVVVXLNSA-N	215.252	2.779	50	40	BFGB	
C[C@H](CCl)[C@@H](C)NC(=O)[C@H]1CCCCS1	252935509	FJWJWMDCYDGDJF-OPRDCNLKSA-N	249.807	2.652	50	40	BFGB	
C#C[C@H](C)[P@](=O)(OC)O[Si](C)(C)C	205483007	FLFJTBNHGKGLLY-UFBFGSQYSA-N	220.281	2.699	50	40	BFGB	
N#Cc1ccccc1[C@H](Br)C#N	4137230	ADCRONPNHCJPFH-SECBINFHSA-N	221.057	2.518	50	40	BFGB	
F[C@H](Br)C(F)(F)Br	63146242	UREJNEBJDURREH-SFOWXEAESA-N	241.832	2.665	50	40	BFGB	
O=Cc1ccc(CBr)cc1F	97438993	JQESQZDNZGPDBG-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
ClC[C@@H](Cl)COC[C@@H](Cl)CCl	72399465	DWUVEXODBSOVSX-OLQVQODUSA-N	239.957	2.695	50	40	BFGB	in-vitro
C/C(CC(C)C)=N\NC(=O)C1[C@H]2CCCC[C@H]12	100506194	FTYUJGZRCYECNZ-ZQVVPALOSA-N	236.359	2.961	50	40	BFGB	
C[C@]12CCCC[C@@H]1[C@@H]2C(=O)N/N=C/c1ccco1	408720605	ADNITPNBNNDMQB-DQWJXZOCSA-N	246.310	2.556	50	40	BFGB	
CC(=O)Oc1ccc([C@H]2CCC=C(C#N)O2)cc1	4267453	HQYFNGWIPRVTCC-CQSZACIVSA-N	243.262	2.871	50	40	BFGB	biogenic
ClCc1ccc(-c2ncccn2)cc1	12370553	ZYZLFVLHAHBXGB-UHFFFAOYSA-N	204.660	2.882	50	40	BFGB	in-vitro
Br[C@H]1CCN(Cc2ccccc2)C1	34496518	VOXJTPBOJBQGSL-NSHDSACASA-N	240.144	2.656	50	40	BFGB	
CCc1cc2c(=O)[nH]c([C@@H](C)Cl)nc2s1	36275496	VCBDFMWMIKQAPL-RXMQYKEDSA-N	242.731	2.847	50	40	BFGB	
COc1ccc2c(CCCl)c[nH]c2c1	89203472	ZBKGVDLREHRGIH-UHFFFAOYSA-N	209.676	2.958	50	40	BFGB	
COc1c(C)cccc1C(=O)CBr	238365144	NCDNTQWEKJAZOD-UHFFFAOYSA-N	243.100	2.581	50	40	BFGB	
CC(C)C/C(=N\NC(N)=O)C1=CCCCC1	16953587	RNWLUCJQVQCVMZ-SDNWHVSQSA-N	223.320	2.557	50	40	BFGB	
CC(C)(C)OC(=O)Nc1ccc(CN=C=O)cc1	91696071	LZPYIMUXLDFQMM-UHFFFAOYSA-N	248.282	2.869	50	40	BFGB	
Cc1oc(-c2ccccc2)nc1CC(=O)Cl	2513551	GIYSJHZYJIZZDB-UHFFFAOYSA-N	235.670	2.958	50	40	BFGB	
CC(C)=NNC(=O)c1cc2ccccc2cc1O	5382937	BJBFLNKKGYKDFG-UHFFFAOYSA-N	242.278	2.671	50	40	BFGB	
ClCCCC1(CCCCl)OCCO1	1722552	VKEVDJLCILOSIR-UHFFFAOYSA-N	227.131	2.768	50	40	BFGB	
O=CC1=C(OCC(F)(F)F)CCCC1	68590431	DOQGMUFSYWJSQA-UHFFFAOYSA-N	208.179	2.592	50	40	BFGB	
Cc1ccc2c(c1)N[C@H](Cl)N[C@H]2Cl	100252403	GORATHZBKDNINS-BDAKNGLRSA-N	217.099	2.770	50	40	BFGB	
C[C@H]1CCC/C(=N/NC(=O)c2ccccc2O)C1	112416	IWTGDFWCCOIOKE-NVRAKJRWSA-N	246.310	2.688	50	40	BFGB	
O=C(Cl)C1=Cc2cc(Cl)ccc2OC1	2576777	HGFGWTNRUGRBNQ-UHFFFAOYSA-N	229.062	2.881	50	40	BFGB	in-vitro
C[C@@H](Cl)C(=O)Nc1ccc2c(c1)CCC2	1437982	UQFMLEDVKSXJJC-MRVPVSSYSA-N	223.703	2.741	50	40	BFGB	in-vitro
CN1CC[C@@H](CCl)[C@H](c2ccccc2)C1	1585582	YNYLGBWPOXGKMW-STQMWFEESA-N	223.747	2.961	50	40	BFGB	
Br[C@H]1CCc2ccccc2C1	57218424	IBMAISVTUOJFGF-JTQLQIEISA-N	211.102	2.939	50	40	BFGB	
N#Cc1cc(F)c(CBr)cc1F	113662630	ZYBADXNEYMARJT-UHFFFAOYSA-N	232.027	2.731	50	40	BFGB	in-vitro
CC(C)NCCC[C@@H](C)Br	2048734	ROHNEMVBUQWDSM-MRVPVSSYSA-N	208.143	2.548	50	40	BFGB	
BrCCCc1nc2ccccc2[nH]1	6674278	MNBKQKHVYFOCTC-UHFFFAOYSA-N	239.116	2.890	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccccc1OC	71423549	OBJIVGJNWYFVMQ-VIFPVBQESA-N	212.676	2.895	50	40	BFGB	
COc1cc(F)c(CCCl)c(F)c1	199553128	VKTCQMBFKROGCF-UHFFFAOYSA-N	206.619	2.755	50	40	BFGB	
CS[C@@H](C(=O)Nc1ccccc1)[C@@H](C)Cl	2292047	UMZNACFCWPBQQE-PSASIEDQSA-N	243.759	2.984	50	40	BFGB	
CC(C)=C/C(C)=C(\C#N)C(=O)OC(C)C	16929834	JACFAGXEIOQLCE-ZHACJKMWSA-N	207.273	2.744	50	40	BFGB	
O=CC(=C/c1ccco1)/C(C=O)=C\c1ccco1	17138892	ZUNSZDDFBZNPMB-OXAWKVHCSA-N	242.230	2.737	50	40	BFGB	
O=C/C(=C\O)c1cccc(C(F)(F)F)c1	95935021	SEICBNDPMYYQJY-VMPITWQZSA-N	216.158	2.803	50	40	BFGB	
Clc1ncc(CBr)c(Cl)n1	72194547	KAXXAAPAQUSNTN-UHFFFAOYSA-N	241.903	2.678	50	40	BFGB	
Cc1ccc(/C(Cl)=C/C=C(\C#N)C(N)=O)cc1	164037	HDPCUXRMKMKCJQ-CZIBKUHYSA-N	246.697	2.510	50	40	BFGB	
C[C@@H](CCc1ccccc1)NC(=O)[C@@H](C)Cl	2649924	HMNUMSKIRHYVOD-WDEREUQCSA-N	239.746	2.751	50	40	BFGB	
CCCCCCNC(=O)CCCCl	6042139	RAEKTBRIUBNXFJ-UHFFFAOYSA-N	205.729	2.702	50	40	BFGB	
O[C@H](CBr)c1cccc(Cl)c1	8698179	SSQKRNANOICYRX-MRVPVSSYSA-N	235.508	2.768	50	40	BFGB	
Cc1cc(C(=O)N/N=C2\C[C@@H]3CC[C@H]2C3)cs1	20352862	JOZQPCNFHUMXHF-HSUGPYNZSA-N	248.351	2.962	50	40	BFGB	
O=C(N/N=C/C(Cl)=C\c1ccccc1)C1CC1	33406745	LJOAMNLYMHUSDQ-NVXXTVOZSA-N	248.713	2.778	50	40	BFGB	
O=C(Cl)c1ccc(-c2cnco2)cc1	39057317	KMOWXQMLYMQYGP-UHFFFAOYSA-N	207.616	2.721	50	40	BFGB	
Cl[C@@H]1Oc2ccccc2O[C@H]1Cl	97949883	MKFKHXCVLVUARS-HTQZYQBOSA-N	205.040	2.588	50	40	BFGB	
CC1(C)[C@H]2CC[C@@](C)(C2)[C@@H]1OC(=O)CCl	104382354	RVNRDQPWNHCQRY-XRNSZHNASA-N	230.735	2.983	50	40	BFGB	
Fc1ccc2[nH]c(CBr)nc2c1	238617740	UTQLUCFUAWKWRA-UHFFFAOYSA-N	229.052	2.597	50	40	BFGB	
N#Cc1cc(F)c(CBr)c(F)c1	87493245	IYMOSNWHEULEDH-UHFFFAOYSA-N	232.027	2.731	50	40	BFGB	
CCOC(=O)c1ccc(C(=O)[C@H](Cl)CC)o1	309201818	YNSJYGIRLIWJTR-SSDOTTSWSA-N	244.674	2.656	50	40	BFGB	
COC(=O)N/N=C/c1ccc(C(C)(C)C)cc1	3239097	JXRQSSAEVUYETI-NTEUORMPSA-N	234.299	2.674	50	40	BFGB	
CCC(/C=N/NC(=O)c1ccccc1F)CC	5414914	ZXYJCYBGAOGFFM-OQLLNIDSSA-N	236.290	2.978	50	40	BFGB	
COc1c(Cl)ccc(C(=O)Cl)c1F	91252001	FPFZZDWTMMQEHB-UHFFFAOYSA-N	223.030	2.867	50	40	BFGB	
NC(=O)N/N=C1/CCCCC12CCCCC2	104132060	VCZAXHJSCYLECN-UVTDQMKNSA-N	223.320	2.535	50	40	BFGB	
N#CSc1c(Cl)nc2sccn12	3270618	ZWJAZWIMNBEYOD-UHFFFAOYSA-N	215.690	2.622	50	40	BFGB	
C[C@@H](Cl)C(=O)NCc1ccc(Cl)cc1	8728690	MXIKGEWWJHHSHX-SSDOTTSWSA-N	232.110	2.584	50	40	BFGB	
CC(=O)c1ccc(OCCBr)cc1	19415716	QRVRYBJTVILKOK-UHFFFAOYSA-N	243.100	2.663	50	40	BFGB	
CCOC(=O)/C(O)=C(\C#N)c1ccccc1CC	104056123	GYOUVCZPKKNZGC-SEYXRHQNSA-N	245.278	2.605	50	40	BFGB	
CCO[P@@](C)(=O)N(CCCl)CCCl	1689624	LJZBVSDEXGPBNX-CYBMUJFWSA-N	248.090	2.625	50	40	BFGB	
COc1cc(C=C(C#N)C#N)cc(Cl)c1OC	3208948	UUZUJOOWTVWIHY-UHFFFAOYSA-N	248.669	2.788	50	40	BFGB	
C[C@H](c1cccs1)N(C)C(=O)CCl	37654215	JPZAERLZOSGDED-SSDOTTSWSA-N	217.721	2.506	50	40	BFGB	
Cc1cccc(Cc2nc(CCl)no2)c1	52136463	FHPUCWRMKNPILJ-UHFFFAOYSA-N	222.675	2.708	50	40	BFGB	
CC1CCC(C#N)(N(C)C(=O)[C@H](C)Cl)CC1	71376461	LCYAQZNQZRMAOQ-YZRBJQDESA-N	242.750	2.545	50	40	BFGB	
CSC(=O)N/N=C/c1ccc2ccccc2n1	5527645	DFVHUNBZKUSVGF-MDWZMJQESA-N	245.307	2.641	50	40	BFGB	
C[C@@H](Cl)C(=O)N1CCSc2ccccc21	37389595	ZJGGQZFOKULPEK-MRVPVSSYSA-N	241.743	2.753	50	40	BFGB	in-vitro
Cc1cc(C(=O)CCl)c(C)n1-c1ccccn1	3888989	DGAMRZNHAPAAPS-UHFFFAOYSA-N	248.713	2.911	50	40	BFGB	
CC1(C)Cc2cccc(C=C(C#N)C#N)c2O1	5179450	ZFYLMXHNLKNITG-UHFFFAOYSA-N	224.263	2.831	50	40	BFGB	
CC(C)N(C(=O)CCl)C1CCCCC1	6190535	VJDJNQLXGQNHBP-UHFFFAOYSA-N	217.740	2.795	50	40	BFGB	in-vitro
COc1ccc(C)c(NC(=O)C(Cl)Cl)c1	6923966	OGRDYRJXXFWDFY-UHFFFAOYSA-N	248.109	2.746	50	40	BFGB	
O=C(O)c1cc(CCl)c(Cl)s1	49582229	VZRDDHIAGXFXJZ-UHFFFAOYSA-N	211.069	2.839	50	40	BFGB	
CC(C)(C)OC(=O)N1CCC[C@@H]1CCl	72194519	KTDOGEILJSFSSG-MRVPVSSYSA-N	219.712	2.625	50	40	BFGB	in-vitro
COc1cc(F)c(C(=O)[C@@H](C)Cl)cc1F	259301424	NHARTBAYZYUMKU-RXMQYKEDSA-N	234.629	2.783	50	40	BFGB	
Cc1cc(C)c2[nH]c(=O)c(C=C(C#N)C#N)cc2c1	421499	RLSHXAJCZGOGPC-UHFFFAOYSA-N	249.273	2.576	50	40	BFGB	
Cc1cccc(OC(=O)C(Cl)Cl)c1	1685831	PIRXAVOHMRJPRX-UHFFFAOYSA-N	219.067	2.704	50	40	BFGB	
CC[C@@H](CNC(=O)CCl)c1ccccc1	4206105	YCQOTGXLJFHXJH-JTQLQIEISA-N	225.719	2.535	50	40	BFGB	in-vitro
N#C/C=C1/OC(c2ccc(Cl)cc2)=CC1=O	16401212	VXYQRSKCTQIOBA-VZUCSPMQSA-N	231.638	2.688	50	40	BFGB	
CC1(C)[C@@H]2CC[C@]1(CBr)[C@H](O)C2	103533240	RBBMBWFNBKIZND-MRTMQBJTSA-N	233.149	2.569	50	40	BFGB	
COc1c(F)cc(C(=O)Cl)cc1Cl	2527788	MVYOXPAZTHFOGX-UHFFFAOYSA-N	223.030	2.867	50	40	BFGB	
O=C(CCl)N[C@@H](c1ccccc1)c1ccco1	4206336	CZXQFYYXMSVEED-ZDUSSCGKSA-N	249.697	2.724	50	40	BFGB	
CCCCCC[C@H]1CCC/C1=N/NC(N)=O	4910854	WWLPQEXGDVXMFN-SFEFGNTJSA-N	225.336	2.781	50	40	BFGB	
CCOc1ccc(C(=O)CCl)c(OCC)c1	36180980	DNIRKUGFDMZUBE-UHFFFAOYSA-N	242.702	2.906	50	40	BFGB	
O=C(CCl)c1cc(F)c(F)c(F)c1	84193603	CQQPCUYEDSDSIS-UHFFFAOYSA-N	208.566	2.525	50	40	BFGB	
CCCOCc1cc(Cl)nc(CCl)n1	95094004	USFUBFDZILCVDB-UHFFFAOYSA-N	235.114	2.795	50	40	BFGB	
O=Cc1cccc(CBr)c1F	98210781	XBVUUDQIVRQSGQ-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
CCCC(CCC)=NNC(=O)OCC	6038098	BVCNJXGPWLUWGE-UHFFFAOYSA-N	200.282	2.689	50	40	BFGB	
CC(=O)NNc1nc(-c2ccc(C)cc2)cs1	16778937	PNUVJUCQHOTCCD-UHFFFAOYSA-N	247.323	2.582	50	40	BFGB	
COc1ccc(CCC(=O)Cl)cc1F	40538535	PZCFZJYDMVVELK-UHFFFAOYSA-N	216.639	2.532	50	40	BFGB	
CCOC(=O)N/N=C(/C)[C@@H]1C[C@H]2CC[C@H]1C2	107547550	AHHMMDWWIPBZFE-WAFDATITSA-N	224.304	2.545	50	40	BFGB	
O=C(CCl)c1nc2ccc(F)cc2s1	228961857	CWOZOMUXNVIPOK-UHFFFAOYSA-N	229.663	2.857	50	40	BFGB	
CC(C)(C)NC(=O)[C@H](Cl)C(C)(C)C	163886	AVCFCEKGTUULBO-ZETCQYMHSA-N	205.729	2.555	50	40	BFGB	
O=C(CCl)Nc1cc(Cl)ccc1F	3888175	RXESGMAGKJETDA-UHFFFAOYSA-N	222.046	2.656	50	40	BFGB	in-vitro
C/C(C[C@H](C)c1ccc(C)cc1)=N\NC(N)=O	4267049	WHXFRAQGKVYCGT-MKNMWBPTSA-N	233.315	2.533	50	40	BFGB	
O=C(NCCCCl)c1ccc(Cl)cc1	4673114	QNZBLEGOIPKEAI-UHFFFAOYSA-N	232.110	2.699	50	40	BFGB	
O=C(CCl)c1cc(F)c(F)cc1F	34364944	YEQFFYDYVFAIDX-UHFFFAOYSA-N	208.566	2.525	50	40	BFGB	
CC(C)n1c(CCl)nc2cccnc21	76041154	OYWRAYPYNFWAOU-UHFFFAOYSA-N	209.680	2.751	50	40	BFGB	
N#CC1=C(N)S[C@@H]2c3ccccc3CC[C@H]12	4631854	APQYKRHRNWSRSO-ZYHUDNBSSA-N	228.320	2.731	50	40	BFGB	
N#CC1=C2CCCCCC[C@H]2SC1=O	6317347	JYHNJMVOSVIZEO-SNVBAGLBSA-N	207.298	2.803	50	40	BFGB	
Fc1ccc(Cn2ccnc2CCl)cc1	494634	SGKLWXNUJDNLMM-UHFFFAOYSA-N	224.666	2.809	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(CBr)[C@@H](O)C2	26460532	RBBMBWFNBKIZND-KHQFGBGNSA-N	233.149	2.569	50	40	BFGB	
O=C(CCCCl)c1ccc2c(c1)CCO2	163647648	UTZBZCQGXNOTLK-UHFFFAOYSA-N	224.687	2.823	50	40	BFGB	
CC(=O)[C@H](Br)c1ccccc1F	32015980	NRXPWCNVJGOYHI-VIFPVBQESA-N	231.064	2.851	50	40	BFGB	in-vitro
CCc1c(C(=O)CCl)[nH]c(C)c1C(C)=O	38342434	UTWJOFFJBWRUNA-UHFFFAOYSA-N	227.691	2.510	50	40	BFGB	in-vitro
COC(=O)c1ccc([C@@H]2C[C@H]2Cl)cc1	97438997	CLVKCKHVLAARKJ-VHSXEESVSA-N	210.660	2.568	50	40	BFGB	
O=C(Cl)c1cccc(-c2ccccn2)n1	98213500	XKPXGIIAZLITJX-UHFFFAOYSA-N	218.643	2.523	50	40	BFGB	
O=C(CCCCl)Oc1ccc(F)cc1	3399176	LNIOENWBUQOOEN-UHFFFAOYSA-N	216.639	2.750	50	40	BFGB	in-vitro
Cc1cc(F)ccc1NC(=O)[C@@H](C)Cl	22177640	ZLCWVZHZSPWHKA-SSDOTTSWSA-N	215.655	2.700	50	40	BFGB	
O=P1(C(Cl)Cl)OCCCCO1	1704307	BVSPQTLQFLZAHK-UHFFFAOYSA-N	219.004	2.768	50	40	BFGB	
CCOC(=O)/C(C#N)=C\[C@@H](C)c1ccccc1	17002054	MFLJZPNENIEBMK-NASPGAHYSA-N	229.279	2.803	50	40	BFGB	
CN(CCCN=C=S)c1ccccc1	19840548	YNXCEEIXYZPQGC-UHFFFAOYSA-N	206.314	2.616	50	40	BFGB	in-vitro
CN(C(=O)OC(C)(C)C)N(C)c1ccccc1	36533224	QQANFOCZEDAQBI-UHFFFAOYSA-N	236.315	2.905	50	40	BFGB	
BrCc1cnn(-c2ccccc2)c1	36894597	DPTQPUZPPFTLAI-UHFFFAOYSA-N	237.100	2.767	50	40	BFGB	
FC(F)(F)c1ccc(N=C=S)cn1	44681036	NEGJIUNBOBNOHZ-UHFFFAOYSA-N	204.176	2.835	50	40	BFGB	
ClCc1cccnc1Br	72284324	OWRYEOOYOHXZJX-UHFFFAOYSA-N	206.470	2.583	50	40	BFGB	in-vitro
CCCCCC/C=C\C[C@@H]1CC(=O)OC1=O	100165420	CIMXGTDNUHWJCZ-SKVAFPRGSA-N	224.300	2.993	50	40	BFGB	
CC[C@@H](C)OC(=O)N(CCCl)CCCl	1634328	ZXLUSAIHGOFEOC-MRVPVSSYSA-N	242.146	2.701	50	40	BFGB	
CCCCCC[C@@H]1OC[C@H](CCl)O1	1674870	MQNUIGUARMRLPC-VHSXEESVSA-N	206.713	2.937	50	40	BFGB	
Br[C@@H]1OCCc2ccccc21	39254977	OYHBXVUMVBUXLZ-SECBINFHSA-N	213.074	2.653	50	40	BFGB	
O=c1cc(CCl)[nH]cc1OCc1ccccc1	26423781	GPGCHSWSWRIOOJ-UHFFFAOYSA-N	249.697	2.693	50	40	BFGB	
C[C@]1(C(=O)OCCCCCl)CC[C@H]2O[C@H]2C1	254606128	KTEBZYROZXXYOW-SCVCMEIPSA-N	246.734	2.506	50	40	BFGB	
C[C@H](Br)C(=O)c1cccc(F)c1	34102946	FUWLUTOKEUZKCM-LURJTMIESA-N	231.064	2.792	50	40	BFGB	
O=C(Cl)c1ncc(Cl)cc1Cl	34284048	RTSBEPIQHLPRCX-UHFFFAOYSA-N	210.447	2.767	50	40	BFGB	
CC(C)(C)OC(=O)N1CC[C@@H](CCCl)C1	84303441	QBFJJWWERKMUEE-SECBINFHSA-N	233.739	2.872	50	40	BFGB	
O=C(O)CCCCC[C@H](F)CBr	98174868	QVBGIWBNIKQLNW-ZETCQYMHSA-N	241.100	2.755	50	40	BFGB	
CC(C)OC[C@@H](Br)C(F)(F)F	685966959	DNBYATVRGNXTEW-RXMQYKEDSA-N	235.043	2.737	50	40	BFGB	
C/C=C(\C#N)C(=O)Nc1cccc(Cl)c1	2795077	MLDFHRASHFTHST-KRXBUXKQSA-N	220.659	2.748	50	40	BFGB	
O=C(CCCCCl)NC1CCCCC1	20204278	OBOBOCFRZMDIDG-UHFFFAOYSA-N	217.740	2.844	50	40	BFGB	in-vitro
CC/C(OC)=C(/C#N)c1ccc([N+](=O)[O-])cc1	21994780	QYUARODYCMEMQR-VAWYXSNFSA-N	232.239	2.886	50	40	BFGB	in-vitro
CCOC(=O)/C(C#N)=C1\CCC[C@@H](C)C1	33770337	POGGDOHFZQVNIQ-HNLKAFMCSA-N	207.273	2.580	50	40	BFGB	
CO/C=C(/C(=O)OC)c1ccccc1CCl	54967642	QHBMFLGCOYKWJH-DHZHZOJOSA-N	240.686	2.586	50	40	BFGB	
BrC[C@@H]1CCCN2CCCC[C@H]12	3881641	IXSSZPNMLQOZAZ-VHSXEESVSA-N	232.165	2.646	50	40	BFGB	biogenic
Cc1cc(SC#N)cc(Br)c1N	45946584	WWHVWUYBVWMUJT-UHFFFAOYSA-N	243.129	2.913	50	40	BFGB	
FC(F)(F)C(Br)Br	95795212	YUQQQYGEDJGUCI-UHFFFAOYSA-N	241.832	2.665	50	40	BFGB	in-vitro
CC(C)(C)NC(=O)[C@H](Cl)c1ccccc1	1715380	USPRRWUFJXURLP-SNVBAGLBSA-N	225.719	2.881	50	40	BFGB	
O=C(CCCl)NC12CC3CC(CC(C3)C1)C2	1995477	SHWIIKLJYCCNSU-UHFFFAOYSA-N	241.762	2.700	50	40	BFGB	
Fc1ccccc1-c1nc(CCl)no1	26514046	ZIPXONDQMIHZSE-UHFFFAOYSA-N	212.611	2.615	50	40	BFGB	
COc1ncc(C(F)(F)F)cc1CCl	95756621	AQLDGCOHMQXZHD-UHFFFAOYSA-N	225.597	2.848	50	40	BFGB	
O=C(CCl)NCCCC1CCCCC1	1731856	OAQDUVRLHXEEDP-UHFFFAOYSA-N	217.740	2.702	50	40	BFGB	in-vitro
Cc1cc(C(=O)CCl)c(C)n1C1CC1	2633218	VDOWBQXUDGEQHE-UHFFFAOYSA-N	211.692	2.861	50	40	BFGB	in-vitro
CCO[C@H]1O[C@](C)(C=C(C#N)C#N)CC[C@@H]1C	5650854	IQUJVBXHKPNPIG-DRZSPHRISA-N	234.299	2.528	50	40	BFGB	
C=CC[C@H](C)/C(C)=C(\C#N)C(=O)OCC	16930602	OLYFJUDDJLWVEK-YHTNPHCKSA-N	207.273	2.602	50	40	BFGB	
O=C(Cl)Cc1cccc(OC(F)(F)F)c1	95836246	AKUDZIUZBOHUFI-UHFFFAOYSA-N	238.592	2.893	50	40	BFGB	
C[C@H](Cl)C(=O)c1cccc(F)c1F	238425390	MUGGEDGGQXBKPI-YFKPBYRVSA-N	204.603	2.775	50	40	BFGB	
O=C(c1ccccc1)C(CCl)CCl	4014226	SJJAYVWBFICAEB-UHFFFAOYSA-N	217.095	2.963	50	40	BFGB	
CCCC/C=N/NC(=O)c1ccccc1	4015175	QMXNZYFCSHLTOV-JLHYYAGUSA-N	204.273	2.592	50	40	BFGB	
CCCC/C(=N\NC(C)=O)c1ccccc1	5456868	MPICYVZSQZGJNV-FYWRMAATSA-N	218.300	2.717	50	40	BFGB	
Cc1ccc(CN(C(=O)CCl)C2CC2)cc1	33466355	CZDWRMXBXLRKSL-UHFFFAOYSA-N	237.730	2.725	50	40	BFGB	in-vitro
Clc1ccc(CN2CCC(Cl)CC2)cn1	72202897	MILSEGOEWHMQJP-UHFFFAOYSA-N	245.153	2.938	50	40	BFGB	
CC(C)/C=N/NC(=O)c1ccc(Cl)cc1	175527	YAYGUWFKOVZMEY-NTUHNPAUSA-N	224.691	2.712	50	40	BFGB	
CCCCCCCNC(=O)C(Cl)Cl	1706708	OPOWREBDOCAJDQ-UHFFFAOYSA-N	226.147	2.877	50	40	BFGB	
O=C([C@H](Cl)c1ccccc1)N1CCCC1	4206739	NNMHHCBBUPWNDO-LLVKDONJSA-N	223.703	2.589	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccc(F)c(F)c1	12504910	UOBXVFFWVLAFHO-YFKPBYRVSA-N	219.618	2.531	50	40	BFGB	in-vitro
Cc1cc(C(F)(F)F)nn1[C@H](C)C(=O)Cl	21948265	SCGIOXBFCDCYNG-RXMQYKEDSA-N	240.612	2.537	50	40	BFGB	
COC(=O)[C@H](Cl)[C@H](C)c1ccccc1	50978175	TVPXLYSPHBATPL-PSASIEDQSA-N	212.676	2.571	50	40	BFGB	
CCCC[C@H](CSC#N)SC#N	1731986	UKPBSSISVYSCNO-MRVPVSSYSA-N	200.332	2.974	50	40	BFGB	
CC1(C)[C@@H]2CC(=O)[C@@]1(C)C[C@@H]2Br	4127899	CQQIQTIKYYOMEP-MATHAZKKSA-N	231.133	2.775	50	40	BFGB	
CCOc1c(F)ccc(C(=O)Cl)c1F	38529942	WMLHUPZOTFCPNP-UHFFFAOYSA-N	220.602	2.743	50	40	BFGB	
CC[C@@](C)(O)/C(=C/C#N)n1cnc2ccccc21	1511121	BQQUPRNGHWSBCP-YLHGKKIISA-N	241.294	2.562	50	40	BFGB	
Fc1cc(C#CCCl)cc(F)c1F	95632751	BYGUMLSNRWUNAI-UHFFFAOYSA-N	204.578	2.694	50	40	BFGB	
C[C@@H](Cl)C(=O)N[C@@H]1CCCc2ccccc21	3887370	JECZABDCMGFFAP-BXKDBHETSA-N	237.730	2.808	50	40	BFGB	
C[C@H](NC(=O)CCl)c1cccc(Cl)c1	3888028	IPGDMBWEYHBLRL-ZETCQYMHSA-N	232.110	2.756	50	40	BFGB	
C[C@H]1CCC/C(=N\NC(=O)Cc2ccccc2)C1	5748385	HPZPUZFQHUJLAW-ZLUHGAPXSA-N	244.338	2.911	50	40	BFGB	
O=C(F)c1ccc(F)c(Br)c1	2540150	AIOKJVVAYNKWQP-UHFFFAOYSA-N	221.000	2.698	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(C)/C(=N\NC(=O)CCl)C2	12661123	OBYXIOFDPWYYST-WLISDKISSA-N	242.750	2.544	50	40	BFGB	
CN(C(=O)CCCCl)c1ccccc1	20204189	ONFLCMFDSFTMPA-UHFFFAOYSA-N	211.692	2.668	50	40	BFGB	
Cc1ccc(F)c(NC(=O)[C@@H](C)Cl)c1	20471860	IMUUSFZHQVHTGE-SSDOTTSWSA-N	215.655	2.700	50	40	BFGB	
O=C=Nc1cccc(C(=O)Oc2ccccc2)c1	255188167	IUHCKOLQVZUXTJ-UHFFFAOYSA-N	239.230	2.873	50	40	BFGB	
Cc1cc(-c2ccccc2)cc(SC#N)[n+]1[O-]	1672569	MNPTVWGSBDEUGU-UHFFFAOYSA-N	242.303	2.869	50	40	BFGB	
C/C(=N\NC(=O)c1ccccc1)C(C)(C)C	4866123	NIFROTKXLYHWGV-GXDHUFHOSA-N	218.300	2.838	50	40	BFGB	
Cc1ccc(C(=O)N/N=C\c2cccs2)cc1	33313838	RLSYPONHVIZWMZ-ZROIWOOFSA-N	244.319	2.820	50	40	BFGB	
CC(C)CCCI	88190235	KHNRCDHEOHOYFY-UHFFFAOYSA-N	212.074	2.858	50	40	BFGB	
COc1ccc(F)cc1C#CCBr	95633650	NCPDAASYOSADLX-UHFFFAOYSA-N	243.075	2.581	50	40	BFGB	
C/C(=N/NC(=O)[C@H]1C[C@H]1c1ccccc1)C1CC1	4348783	XXFCTZAFEIRUJB-XNHXUMAHSA-N	242.322	2.692	50	40	BFGB	
O=C(CCl)Nc1ccc(C(F)F)cc1	6225409	XPWMZHBDAMXLDS-UHFFFAOYSA-N	219.618	2.802	50	40	BFGB	
Clc1cccc(CBr)n1	67175960	GAAAMBFVILNOPY-UHFFFAOYSA-N	206.470	2.630	50	40	BFGB	in-vitro
CC[C@@H](Cl)C(=O)c1ccc(OC)cc1OC	71423580	PCKIVPJJWNJDEQ-SNVBAGLBSA-N	242.702	2.904	50	40	BFGB	
CO[C@H](C)c1ccc(C(=O)CCl)cc1	72220047	SGCDBDLCEKFCGK-MRVPVSSYSA-N	212.676	2.816	50	40	BFGB	
Cc1cccc(NNC(=O)C2CCCC2)c1	8073239	WQJRNGLAXKFTNP-UHFFFAOYSA-N	218.300	2.628	50	40	BFGB	
O=C(F)C(F)(F)C(F)(F)C(F)(F)C(F)F	2530891	UPRLRVYBTHGWJH-UHFFFAOYSA-N	248.044	2.654	50	40	BFGB	
CC[C@@H](CC(C)C)C(=O)OCCCl	1672083	OQYBOEPNMNEOEU-VIFPVBQESA-N	206.713	2.841	50	40	BFGB	
N#CSc1ccc(NC(=O)CCCl)cc1	13945903	BYKDCVABLFZQQY-UHFFFAOYSA-N	240.715	2.827	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)c1ccccc1F	256054119	UZMREXCVQBIHFV-PKNBQFBNSA-N	233.242	2.686	50	40	BFGB	
CS[C@@H](C(=O)Nc1ccccc1)[C@H](C)Cl	2292046	UMZNACFCWPBQQE-WCBMZHEXSA-N	243.759	2.984	50	40	BFGB	
CC(=O)NN=C1CCC(C(C)(C)C)CC1	4933306	SMHNRQATVDZXNV-UHFFFAOYSA-N	210.321	2.715	50	40	BFGB	
C/C(=N\NC(=O)C1CCCCC1)c1ccccn1	16973039	LCZVIBZCJZEGMF-LFIBNONCSA-N	245.326	2.502	50	40	BFGB	
COc1ccc(OCCCCl)cc1	22177819	SJZQJMFKQYZZAT-UHFFFAOYSA-N	200.665	2.703	50	40	BFGB	in-vitro
CCOC(=O)/C(C#N)=C1\CCCC[C@H]1C	33710315	KVCLNYLAXSCYAP-HNLKAFMCSA-N	207.273	2.580	50	40	BFGB	
C=CCOCc1cc(N)ccc1OCCCl	198952831	VYSMZKMFYRHJDD-UHFFFAOYSA-N	241.718	2.589	50	40	BFGB	
CC[C@H](Cl)C(=O)c1cccc(C#N)c1	306647509	BVXMAIOQYIGYLC-JTQLQIEISA-N	207.660	2.758	50	40	BFGB	
COc1ccc(OC(=O)Cl)c(F)c1F	2362803578	MUDHRMKFZZQLHV-UHFFFAOYSA-N	222.574	2.711	50	40	BFGB	
CCCCCCCC(=O)N/N=C/c1ccncc1	2357864	RYFNJQYYCLXJPZ-FOWTUZBSSA-N	247.342	2.892	50	40	BFGB	
Cc1cc(F)cc(C(=O)[C@@H](C)Cl)c1	238425259	MOEGWXCVYUJRSL-SSDOTTSWSA-N	200.640	2.944	50	40	BFGB	
CCCn1c(C)cc(/C=C(\C#N)C(=O)O)c1C	3281466	FHQPESYLSVCTMT-KPKJPENVSA-N	232.283	2.507	50	40	BFGB	
O=C=Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-]	12957534	RTGZAHNHYOUVQA-UHFFFAOYSA-N	232.117	2.581	50	40	BFGB	
FC(F)(F)c1cnc2nc(CCl)[nH]c2c1	72233004	PSHYHSHYUHZRQX-UHFFFAOYSA-N	235.596	2.716	50	40	BFGB	
CO/C(=N\[C@@H]1CCCC[C@@H]1Cl)SC	5510577	RTXDXCYIRWFVQA-WGRRCAOGSA-N	221.753	2.902	50	40	BFGB	
N#CC(C#N)=Cc1ccc(O)c(Br)c1	6220018	GPBWFNSAWKQEOF-UHFFFAOYSA-N	249.067	2.585	50	40	BFGB	
CN(C)c1ccccc1CBr	34243066	JVDFBNUEGLXFRI-UHFFFAOYSA-N	214.106	2.648	50	40	BFGB	
ClCSc1nn2cc(Cl)nc2s1	53944150	IXTUKGDOQJCCMU-UHFFFAOYSA-N	240.140	2.733	50	40	BFGB	
C[C@H](NC(=O)[C@@H](C)Cl)c1ccc(F)cc1	2650694	XVXFVUJDOHMVOV-SFYZADRCSA-N	229.682	2.630	50	40	BFGB	in-vitro
C=CCC/C(C)=N\NC(=O)COc1ccccc1	4402366	BZPGCHGTXVAPHU-QINSGFPZSA-N	246.310	2.524	50	40	BFGB	
O=C(Cl)c1n[nH]c2cccc(Cl)c12	89195824	UVLFJFGNWDDXLA-UHFFFAOYSA-N	215.039	2.595	50	40	BFGB	
OC12C[C@@H]3C[C@@H](C1)CC(CBr)(C3)C2	100068339	GTPYLJQQDHYXDY-NKVNRFPTSA-N	245.160	2.713	50	40	BFGB	
CC1(C)[C@H]2CC[C@@]1(CBr)[C@H](O)C2	103533248	RBBMBWFNBKIZND-QXFUBDJGSA-N	233.149	2.569	50	40	BFGB	
N=C(N)SCc1ccc(N=C=S)cc1	6004381	KUHFWNLOEDBMFI-UHFFFAOYSA-N	223.326	2.548	50	40	BFGB	
C[C@H](Oc1ccccc1Cl)C(=O)CCl	33464842	WFEMLSIRUWMXTB-ZETCQYMHSA-N	233.094	2.915	50	40	BFGB	
O[C@H](CCl)c1cccc(Br)c1	34139889	FSNYFQPYJRBWNX-MRVPVSSYSA-N	235.508	2.721	50	40	BFGB	
F[C@H](Cl)C(F)(F)C(F)(F)Cl	60255942	UJIGKESMIPTWJH-SFOWXEAESA-N	202.937	2.988	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(OC(C)=O)cc1	309377724	WEYPWHLZKRVHRQ-NSHDSACASA-N	240.686	2.812	50	40	BFGB	
N#C/C(=C\c1cccnc1)C(=O)Nc1ccccc1	262590	MSAFTLZMWSCOAF-UKTHLTGXSA-N	249.273	2.627	50	40	BFGB	
CC[C@@H](Br)[C@@H](C)Br	1679996	LWBRXRHBXMVUEX-RFZPGFLSSA-N	229.943	2.943	50	40	BFGB	in-vitro
CCCC[C@@H](CC)COC[C@@H](O)CCl	16637684	VQMJOZXWGXOUPB-MNOVXSKESA-N	222.756	2.819	50	40	BFGB	
Cc1ccccc1SC(=O)CCl	1582216	SJORDFWUMSDIQA-UHFFFAOYSA-N	200.690	2.853	50	40	BFGB	
Cc1ccc(C(=O)NN(C)c2ccccc2)cc1	8357857	NPWCLQWEECMKKN-UHFFFAOYSA-N	240.306	2.776	50	40	BFGB	
Cc1csc(Cl)c1NC(=O)CCl	521399154	FGRULWRQUQRRKC-UHFFFAOYSA-N	224.112	2.887	50	40	BFGB	
O=C(NN=C1CCCC1)c1c[nH]c2ccccc12	482947	VISROVPTGMADNR-UHFFFAOYSA-N	241.294	2.828	50	40	BFGB	
CC1CCC(=NNC(=O)c2ccco2)CC1	5416694	VWJDLSJYAFJEDS-UHFFFAOYSA-N	220.272	2.576	50	40	BFGB	
C[C@H](Br)C(=O)c1ccc(F)c(F)c1	34516079	JALLRKHRTZCDBV-YFKPBYRVSA-N	249.054	2.931	50	40	BFGB	
CCn1c(CCl)nc2cc(F)ccc21	37412703	WAPTVXCJFIFRPY-UHFFFAOYSA-N	212.655	2.934	50	40	BFGB	in-vitro
CC[C@H](Cl)C(=O)Nc1ncc(C(C)(C)C)o1	72220080	MFLWYPJZAYWKIR-ZETCQYMHSA-N	244.722	2.928	50	40	BFGB	
N#CC(C#N)=C1CCCOc2ccccc21	5776129	FOJVQHQCKJFLCD-UHFFFAOYSA-N	210.236	2.660	50	40	BFGB	
N#C/C(=C/c1cccs1)C(=O)NC1CCCC1	58536687	WHOIXDRCVXRTIC-NTMALXAHSA-N	246.335	2.714	50	40	BFGB	
CCCCCCC/C=C\[C@H]1CC(=O)OC1=O	103692074	FGQUIQAGZLBOGL-IQQGHNRFSA-N	224.300	2.993	50	40	BFGB	
C[C@H](CCl)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	6491770	BMGJFQMEEAEQAG-GCHJQGSQSA-N	213.752	2.592	50	40	BFGB	
CC(C)C(=O)N/N=C\c1ccc(C(C)C)cc1	58885332	JNSKWUNQVSHOLV-DHDCSXOGSA-N	232.327	2.916	50	40	BFGB	
CCOc1ccc(C(=O)CCl)c(OC)c1	106679629	TUSJBTAUIJLLEU-UHFFFAOYSA-N	228.675	2.515	50	40	BFGB	
COc1cc(C(=O)[C@H](C)Cl)ccc1F	238333185	SBARTEHCGJVUFK-LURJTMIESA-N	216.639	2.644	50	40	BFGB	
Cc1ccccc1NNC(=O)Cc1ccccc1	3158790	BLZCDNQPNJEIFV-UHFFFAOYSA-N	240.306	2.681	50	40	BFGB	biogenic
ClCc1cc2c(cc1Br)OCO2	3330518	UOZXZWOFQWKKEZ-UHFFFAOYSA-N	249.491	2.917	50	40	BFGB	
O[C@@H](CBr)c1cccc(Cl)c1	8698180	SSQKRNANOICYRX-QMMMGPOBSA-N	235.508	2.768	50	40	BFGB	
ClCc1cccc(-c2ncccn2)c1	12370561	AUWJTKGKFPDHDU-UHFFFAOYSA-N	204.660	2.882	50	40	BFGB	in-vitro
Cc1cc(F)ccc1NC(=O)[C@H](C)Cl	22177643	ZLCWVZHZSPWHKA-ZETCQYMHSA-N	215.655	2.700	50	40	BFGB	
Cc1[nH]c2ccc(F)cc2c1CC(=O)Cl	98213662	CKAVTKNRFGCOKC-UHFFFAOYSA-N	225.650	2.923	50	40	BFGB	
Cc1ccc(OC(=O)CCCCl)cc1	2518305	NACXKOQZXHRYPW-UHFFFAOYSA-N	212.676	2.919	50	40	BFGB	
CCOC(=O)N/N=C/c1c(C)[nH]c2ccccc12	7853419	CDUOVHDUHPJNPD-RIYZIHGNSA-N	245.282	2.556	50	40	BFGB	
CO[C@@H](CBr)c1ccccc1F	50479663	AKBHSXBTMUCRNP-VIFPVBQESA-N	233.080	2.908	50	40	BFGB	
CCCOc1cc(F)ccc1C(=O)Cl	95739819	UFKOIQXLUDIKRZ-UHFFFAOYSA-N	216.639	2.994	50	40	BFGB	
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccccn1	810113	TVCSBAPUUSOVCV-UHFFFAOYSA-N	248.289	2.920	50	40	BFGB	
Cc1cc(Cl)ccc1OCC(=O)Cl	26470560	ABYSGRXBGLVRGO-UHFFFAOYSA-N	219.067	2.793	50	40	BFGB	
Fc1ccc(Cn2cncc2CCl)c(F)c1	85216895	CWWYXOWSSCIZSM-UHFFFAOYSA-N	242.656	2.948	50	40	BFGB	
O=C(Cl)c1c[nH]c2cc(F)c(F)cc12	199788653	NWQJDTCJNFUXAU-UHFFFAOYSA-N	215.586	2.825	50	40	BFGB	
C[C@H](Cl)C(=O)NC12CC3CC(CC(C3)C1)C2	3887305	KRVLFNQJYFFTEL-RERGEOBBSA-N	241.762	2.699	50	40	BFGB	
ClC[C@@H]1[C@H](CCl)C1(Cl)Cl	159496	XOTCLDWXPXVFHO-ZXZARUISSA-N	207.915	2.884	50	40	BFGB	
O=C(Cl)c1cc(-c2ccccc2)on1	4277325	FUQOIZJIDZZDGY-UHFFFAOYSA-N	207.616	2.721	50	40	BFGB	in-vitro
O=C(Cl)CCCc1ccccc1F	34571972	RKDSMLHJLRBAAQ-UHFFFAOYSA-N	200.640	2.914	50	40	BFGB	
O=C(NN=C1CCCCCCC1)C1CC1	5382507	MBWWSMZWTQHRHL-UHFFFAOYSA-N	208.305	2.613	50	40	BFGB	
C[C@@H]1C/C(=N\NC(=O)C2CC2)CC(C)(C)C1	33044056	LADQTYFIHQSXHS-OFVMIXNHSA-N	222.332	2.715	50	40	BFGB	
CC1(C)[C@H]2CC[C@@]1(C)[C@H](OC(=O)CCl)C2	100262022	VSQKDAUZKNYBHR-SBMIAAHKSA-N	230.735	2.983	50	40	BFGB	
ClCCNCc1cccc(Cl)c1	1667746	QRIIBKXWANEILB-UHFFFAOYSA-N	204.100	2.668	50	40	BFGB	
CC(C)C/C=N/NC(=O)[C@H](C)Oc1ccccc1	6357799	CPLRWPUDQLSEIH-XBUHWIKASA-N	248.326	2.602	50	40	BFGB	
COc1c(C)cnc(CBr)c1C	49581943	ZFQQPURKUHJPQY-UHFFFAOYSA-N	230.105	2.602	50	40	BFGB	
O=C(Cl)c1cccc(F)c1C(=O)Cl	149234875	ARTSSGNVMGISRK-UHFFFAOYSA-N	221.014	2.584	50	40	BFGB	
Cc1ccc2c(c1)CCCN2C(=O)CCCl	1689641	PHMHKMSEMKPHQD-UHFFFAOYSA-N	237.730	2.903	50	40	BFGB	
Cc1ccc(/C=C2\C(=O)ON=C2CCl)cc1	44804573	VUSJRRXBGYNHSH-POHAHGRESA-N	235.670	2.530	50	40	BFGB	in-vitro
COc1cccc(C(C)(C)C(=O)Cl)c1	84934676	DVMYOCNIJLAZTQ-UHFFFAOYSA-N	212.676	2.738	50	40	BFGB	
CCCOc1ccc(C(=O)Cl)cc1F	95739824	BEGGHDYQQVTUIK-UHFFFAOYSA-N	216.639	2.994	50	40	BFGB	
Cc1ccc(CN(C)C(=O)CCl)c(C)c1	4206313	GSJZHQVUOZHVNW-UHFFFAOYSA-N	225.719	2.501	50	40	BFGB	in-vitro
COc1cccc(CBr)c1OC	34416658	MKQQWYFVXVSJTH-UHFFFAOYSA-N	231.089	2.599	50	40	BFGB	in-vitro
Cc1cc(C)c(/C=C(/C#N)C(=O)N(C)C)c(C)c1	408853194	ZNYBYULUSHQAAG-JYRVWZFOSA-N	242.322	2.607	50	40	BFGB	
Cc1cc(Cl)cc(C(=O)Cl)c1O	1732118	JEYHYDJNXNVYAK-UHFFFAOYSA-N	205.040	2.733	50	40	BFGB	
O=C(CCl)N(C1=CCCCC1)C1CC1	4205804	FQGQJEGANZYIHC-UHFFFAOYSA-N	213.708	2.674	50	40	BFGB	in-vitro
O=C(N[C@@H]1CCCC[C@@H]1Cl)N1CCCCC1	5375381	YFONBSXDRJXHMY-WDEREUQCSA-N	244.766	2.732	50	40	BFGB	
CC(C)NC(=O)/C(C#N)=C\c1ccccc1Cl	33362193	ZKKUDHHSJGGRSI-XFFZJAGNSA-N	248.713	2.772	50	40	BFGB	
O=C(Cl)CCOc1ccc(Cl)cc1	33433465	YXSGXTGSPAHLRB-UHFFFAOYSA-N	219.067	2.874	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@@]1(C=O)[C@@H]2Br	242543493	KCGDKKBCRSTJFA-SZEHBUNVSA-N	231.133	2.775	50	40	BFGB	
CCOc1ccc([C@@H](Cl)C(=O)OC)cc1	50978011	HQNSURSPDGKGIV-SNVBAGLBSA-N	228.675	2.538	50	40	BFGB	
COc1ccc(CCBr)c(C)c1	83696928	FBVPFTNBGOMNBL-UHFFFAOYSA-N	229.117	2.941	50	40	BFGB	
CCCCCCSC[C@@H](O)CCl	1556628	SBLPTOAXHKNRAE-VIFPVBQESA-N	210.770	2.900	50	40	BFGB	
O=C(CCl)c1cc2c(cc1Cl)OCCO2	26444381	NSDAFDHFWNPIEU-UHFFFAOYSA-N	247.077	2.533	50	40	BFGB	
O=C1Nc2ccccc2S[C@@H]1CCCl	34154651	JRTCHDGEKDQOBP-SECBINFHSA-N	227.716	2.728	50	40	BFGB	
Fc1cccc(Cn2cncc2CCl)c1	85216242	LMDWENLPSVDQPH-UHFFFAOYSA-N	224.666	2.809	50	40	BFGB	
FC(F)(F)c1ccncc1CBr	88190113	CPOIHVJSPQWRRN-UHFFFAOYSA-N	240.022	2.995	50	40	BFGB	
FC(F)(F)c1cncc(CBr)c1	88190212	HXNJVBBHAGFQEL-UHFFFAOYSA-N	240.022	2.995	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1cccc2ncccc12	12505690	KMLNZLIMQZFCHQ-MRVPVSSYSA-N	234.686	2.801	50	40	BFGB	in-vitro
ClCc1csc(Br)n1	15444533	LAHYQHMKJIRRPK-UHFFFAOYSA-N	212.499	2.644	50	40	BFGB	
CC(C)=C1[C@@H]2CCC[C@H]1/C(=N/NC(N)=O)CC2	43761562	JGBMGFOVJWYPHF-ULMBEZITSA-N	235.331	2.557	50	40	BFGB	
CCCCCC/C=C/[C@H]1CC(=O)OC1=O	100005663	FLISWPFVWWWNNP-JARNTUPDSA-N	210.273	2.603	50	40	BFGB	endogenous,in-man
CC1(C)[C@@H]2CC[C@]1(C)[C@@H](NC(=O)CCl)C2	169616041	PYXCVNYPFHGKLE-VDDIYKPWSA-N	229.751	2.556	50	40	BFGB	
Fc1ccc(Cn2cc(N=C=S)cn2)cc1	2536585	PUCFGEJSESHZSK-UHFFFAOYSA-N	233.271	2.805	50	40	BFGB	
N#C/C(=C/c1ccc[nH]1)c1ccc([N+](=O)[O-])cc1	6224243	LMKCDPJSCMZQEF-FLIBITNWSA-N	239.234	2.987	50	40	BFGB	
CCCCC(=O)N/N=C/c1sccc1C	2090500	TZIASJARIQZMRU-XYOKQWHBSA-N	224.329	2.697	50	40	BFGB	
CC(C)=C/C(C)=N/NC(=O)c1ccccc1	4475000	HOHQHRLHMJVJDG-SDNWHVSQSA-N	216.284	2.759	50	40	BFGB	
CCCCNC(=O)/C(C#N)=C\c1cccs1	6480809	QUUHRBTWJLZQSM-NTMALXAHSA-N	234.324	2.571	50	40	BFGB	
CCOc1cccc(-c2nnc(CCl)o2)c1	15423316	BCLLMVPMNOHWTG-UHFFFAOYSA-N	238.674	2.874	50	40	BFGB	
COc1ccc(-c2cc(CCl)[nH]n2)cc1	98212726	BIWWWBIYVGKJIQ-UHFFFAOYSA-N	222.675	2.824	50	40	BFGB	
COc1cccc2[nH]cc(C(=O)CCl)c12	489030	JUCQIGMGKMINCW-UHFFFAOYSA-N	223.659	2.598	50	40	BFGB	
O[C@H](CCl)Cc1cccc(C(F)(F)F)c1	2045619	ZFXGKQTVBSBJSU-VIFPVBQESA-N	238.636	2.848	50	40	BFGB	
N#C/C=C(/Cl)c1ccc([N+](=O)[O-])cc1	4801722	PWJDADFQYZTUAQ-WEVVVXLNSA-N	208.604	2.698	50	40	BFGB	
Fc1cnc(Cl)c(CBr)c1	199765811	KQYJRGWGMAEMJL-UHFFFAOYSA-N	224.460	2.769	50	40	BFGB	
CC(C)n1ncc2c1CC[C@@H](Br)C2	575424825	OGIQQZGDELPFFM-SECBINFHSA-N	243.148	2.716	50	40	BFGB	
CCCn1c(C)cc(/C=C(\C#N)C(N)=S)c1C	13140063	UXDWNBDZMMCIHD-KPKJPENVSA-N	247.367	2.708	50	40	BFGB	
CCCOc1cc(C(=O)Cl)ccc1OC	33433973	HEGZHHQWQQVXCW-UHFFFAOYSA-N	228.675	2.863	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2	102179993	NUPFPBLLUREADH-MFXCJAPNSA-N	244.294	2.516	50	40	BFGB	
[C-]#[N+]CC1(F)CCN(C(=O)OC(C)(C)C)CC1	953090496	JNBSNHAGZCIXSD-UHFFFAOYSA-N	242.294	2.645	50	40	BFGB	
ClC[C@@H]1CO[C@H](CCc2ccccc2)O1	1676836	LVEXQJQCORNRGK-NEPJUHHUSA-N	226.703	2.600	50	40	BFGB	
CC(=O)Cc1ccc(CBr)cc1	82359423	AANXCPGFHCKOOY-UHFFFAOYSA-N	227.101	2.713	50	40	BFGB	
Cc1nc(C(=O)Cl)ccc1Br	90413147	MEJCGQNNKQPWHR-UHFFFAOYSA-N	234.480	2.532	50	40	BFGB	
C[C@H](CCl)[C@H](C)NC(=O)[C@H]1CCCCS1	252935508	FJWJWMDCYDGDJF-KXUCPTDWSA-N	249.807	2.652	50	40	BFGB	
CN1C=CC=C/C1=C(/C#N)c1nc2ccccc2[nH]1	3214898	LQQLOHLECZYMOM-SDNWHVSQSA-N	248.289	2.813	50	40	BFGB	
O=C(CCCCl)Nc1ccc(F)cc1	5674456	IWDYQLLSFGXUDQ-UHFFFAOYSA-N	215.655	2.783	50	40	BFGB	
C[C@H](Cl)CN1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	6487202	PCNSLISBMZJMLK-SVNGYHJRSA-N	213.752	2.592	50	40	BFGB	
NC(=O)N/N=C1/CCCC/C1=C/c1ccccc1	104281862	GNVIWFXVADWHRJ-FBSXDCMYSA-N	243.310	2.668	50	40	BFGB	
IC[C@H]1C[C@@H]2CC[C@H]1C2	71254720	CVFNHQHHCQFJDT-GJMOJQLCSA-N	236.096	2.858	50	40	BFGB	
COc1c(F)cccc1C(=O)[C@@H](C)Cl	238409760	KNHANCIWCKQTPC-ZCFIWIBFSA-N	216.639	2.644	50	40	BFGB	
C[C@H](Cl)C(=O)c1cc(F)c(F)c(F)c1	307241088	ILZQARPNWOFKKF-BYPYZUCNSA-N	222.593	2.914	50	40	BFGB	
CCOC(=O)N[C@H]1Cc2ccccc2[C@@H]1Cl	4002196	NPAKIBSOTNOMFJ-QWRGUYRKSA-N	239.702	2.637	50	40	BFGB	
CCOC(=O)N/N=C1/C[C@H](C)CC(C)(C)C1	8692244	UUYRFLJVDMICPN-FWSONLODSA-N	226.320	2.935	50	40	BFGB	
Clc1ccc(OCCBr)cn1	98175413	GRKLLVXRLOCZBR-UHFFFAOYSA-N	236.496	2.509	50	40	BFGB	
C[C@]12CC[C@@H](C[C@@H]1O)[C@@]2(C)CBr	100746657	IZTHFLJIDXSODK-AATLWQCWSA-N	233.149	2.569	50	40	BFGB	
N#CC(C#N)=Cc1c(O)ccc2ccccc12	1639058	UCDYXURSVIOOCB-UHFFFAOYSA-N	220.231	2.976	50	40	BFGB	
N#C[C@H]1CCC[C@H](CBr)C1	1685146	VDLVKZNINMRGFK-YUMQZZPRSA-N	202.095	2.711	50	40	BFGB	
CC/C(=N/NC(N)=O)C1=C[C@]2(C)CC[C@H]1C2(C)C	4267025	GYIQVZBYGRXYFN-VQGQLGIBSA-N	249.358	2.803	50	40	BFGB	
C/C(=N\NC(=O)C1CC1)c1cc(C)ccc1C	5277142	OMFGGFLGEKWHNP-RVDMUPIBSA-N	230.311	2.554	50	40	BFGB	
C/C(=N\NC(=O)C1CC1)c1cc2ccccc2o1	6684283	OXNXDIUEXSCBPB-OQLLNIDSSA-N	242.278	2.683	50	40	BFGB	
CSc1ccc(/C=C(/C#N)C(N)=S)cc1	12371882	QMDJQHAPHVNOSN-TWGQIWQCSA-N	234.349	2.602	50	40	BFGB	
Fc1ccc(-c2nc(CCl)no2)c(F)c1	34955973	OJEHETOHWDPGQW-UHFFFAOYSA-N	230.601	2.754	50	40	BFGB	in-vitro
Cc1cc(C)cc(-n2nc(C)c(C(=O)Cl)n2)c1	62719952	KRLKCFYCILEOBL-UHFFFAOYSA-N	249.701	2.572	50	40	BFGB	
C[C@H](Cl)C(=O)c1cc(F)cc(F)c1	238422455	WESHZTGYYKQBAF-YFKPBYRVSA-N	204.603	2.775	50	40	BFGB	
CCO[C@H]1O[C@](C)(C=C(C#N)C#N)CC[C@H]1C	5650853	IQUJVBXHKPNPIG-WXHSDQCUSA-N	234.299	2.528	50	40	BFGB	
CC(C)c1nc(Cl)cc(C(=O)Cl)n1	85391065	NOVOZLLFWGEYCH-UHFFFAOYSA-N	219.071	2.632	50	40	BFGB	
COc1ccccc1[P@](C)(=O)c1ccccc1	104224827	PYYPLTLIHKSZON-QGZVFWFLSA-N	246.246	2.639	50	40	BFGB	
CCc1ccc([C@H](C)NC(=O)CCl)cc1	3394754	IIJYXIXJCCXWEG-VIFPVBQESA-N	225.719	2.665	50	40	BFGB	in-vitro
Cc1ccc(F)cc1NC(=O)[C@H](C)Cl	19511006	XXWUMDXEVMLIPX-ZETCQYMHSA-N	215.655	2.700	50	40	BFGB	
N#C/C(=C1\CCCN1)c1nc2ccccc2s1	105078714	JKJYEGXAYUAVGF-KTKRTIGZSA-N	241.319	2.914	50	40	BFGB	
CCCCCCSC[C@H](O)CCl	2035181	SBLPTOAXHKNRAE-SECBINFHSA-N	210.770	2.900	50	40	BFGB	
CCC(=O)NNc1ccnc2cc(Cl)ccc12	9117928	KETFMFMLPYPXFE-UHFFFAOYSA-N	249.701	2.741	50	40	BFGB	
Cc1ccc([C@H](NC(=O)CCl)C2CC2)cc1	12505722	QUKJMGDPNLXOHI-ZDUSSCGKSA-N	237.730	2.801	50	40	BFGB	in-vitro
COCCN1CC[C@@H](Cl)[C@@H]2CCCC[C@@H]21	14944016	JWQQYHIMQKCYSK-TUAOUCFPSA-N	231.767	2.505	50	40	BFGB	
ClCCCc1ncc2ccccc2n1	224955432	GEIOHMFXOIYBHP-UHFFFAOYSA-N	206.676	2.801	50	40	BFGB	
COc1ccc(/C=C/C#N)c(Cl)c1OC	2150021	GQKIWSMNRGSSSV-ONEGZZNKSA-N	223.659	2.894	50	40	BFGB	
C[C@H](CCc1ccccc1)NC(=O)[C@@H](C)Cl	2649925	HMNUMSKIRHYVOD-GHMZBOCLSA-N	239.746	2.751	50	40	BFGB	
CCCCCC/C=N/NC(=O)c1ccc(N)cc1	8450893	GZUABZXOTMZNCF-LFIBNONCSA-N	247.342	2.955	50	40	BFGB	
CO[C@@H](c1ccccc1)c1noc(CCl)n1	72417706	ZGLNDFJCLYGPOM-JTQLQIEISA-N	238.674	2.544	50	40	BFGB	
O=[N+]([O-])c1cccc(CCCBr)c1	34382882	MGFFFNXZMWVGJH-UHFFFAOYSA-N	244.088	2.922	50	40	BFGB	
O=C(N/N=C/c1cccs1)[C@@H]1C[C@H]2CC[C@@H]1C2	439188	DJWDETGXNBGOHX-XGWLHTIPSA-N	248.351	2.634	50	40	BFGB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@@H]2Br	100005461	NJQADTYRAYFBJN-PJKMHFRUSA-N	231.133	2.775	50	40	BFGB	
COc1cc(F)ccc1OC(=O)Cl	2362803586	NFFCTLJJWAYQGS-UHFFFAOYSA-N	204.584	2.572	50	40	BFGB	
Cc1ccc(C(=O)N/N=C/CC(C)C)cc1	4578523	MNENQJNEBLFTOB-NTEUORMPSA-N	218.300	2.757	50	40	BFGB	
Cc1ccc(-c2noc(CCl)n2)cc1F	12505400	SLNHRJAZRIKQNM-UHFFFAOYSA-N	226.638	2.923	50	40	BFGB	in-vitro
O=C(CCCCl)c1ccc2c(c1)OCO2	31893261	BXWMZYNDLMSRGF-UHFFFAOYSA-N	226.659	2.617	50	40	BFGB	
CCc1ccc(N(CC)C(=O)CCl)cc1	72206589	UTUNTJYKYZHKHJ-UHFFFAOYSA-N	225.719	2.841	50	40	BFGB	
C[C@@H](Br)[C@H](Cl)Br	100075127	XWACZKSYLJCQIJ-GBXIJSLDSA-N	236.334	2.730	50	40	BFGB	
CN1CC[C@H]2C[C@H](Br)CC[C@H]2C1	5209049	FQFNYAKOZPURLX-LPEHRKFASA-N	232.165	2.502	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccc(F)cc1F	5721569	MMUOMZVFPKYTKB-YFKPBYRVSA-N	219.618	2.531	50	40	BFGB	in-vitro
CCOc1ccccc1CBr	34961746	OTKXEOMVUBWOFL-UHFFFAOYSA-N	215.090	2.980	50	40	BFGB	
C[C@@H]1CCN(C(=O)CCl)[C@H]2CCCC[C@@H]21	37654105	JMSUCGPACWGZDL-MXWKQRLJSA-N	229.751	2.652	50	40	BFGB	in-vitro
C=CCNC(=O)/C(C#N)=C/c1ccc(Cl)cc1	2682431	TYKPVLGWMWYDOY-DHZHZOJOSA-N	246.697	2.549	50	40	BFGB	
O=C(N/N=C/[C@H]1CC=CCC1)c1cccs1	5677391	BGGLECFWLATAPW-YWEFTTLKSA-N	234.324	2.820	50	40	BFGB	
CC/C(=N/NC(=O)c1ccco1)c1ccccc1	16972668	PRFIXYJEYONVTB-QINSGFPZSA-N	242.278	2.824	50	40	BFGB	
NCCCCCCCCBr	44367502	OKYRLKFOPJMWQN-UHFFFAOYSA-N	208.143	2.681	50	40	BFGB	
BrCC[C@@H](Br)C1CC1	138719552	RVYOYFINVSGAEL-ZCFIWIBFSA-N	241.954	2.945	50	40	BFGB	
C[C@@H](Cl)C(=O)c1ccccc1N(C)C	307110732	MKEXJYSTGNNNCR-MRVPVSSYSA-N	211.692	2.563	50	40	BFGB	
CC1=C2CCCCC2=C(C#N)C(=C(C#N)C#N)N1	405956	JXWQPLNPGKTXHO-UHFFFAOYSA-N	236.278	2.559	50	40	BFGB	
COC(=O)/C(C#N)=C1/C[C@H](C)CC(C)(C)C1	16608283	AWSRFULAAYSULB-BLUPIXKYSA-N	221.300	2.826	50	40	BFGB	
O=C(CCl)Cc1ccc(F)cc1Cl	37066112	YAMPUMFLGKBNFQ-UHFFFAOYSA-N	221.058	2.830	50	40	BFGB	
CN(CCBr)c1ccccc1	39241521	JSNHRRGVZQEAOB-UHFFFAOYSA-N	214.106	2.518	50	40	BFGB	in-vitro
CCOc1ccc(C=C(C#N)C#N)cc1OC	566977	BHNNTPFLKFAPCD-UHFFFAOYSA-N	228.251	2.524	50	40	BFGB	
C[C@H](NC(=O)CCl)c1ccccc1Cl	3888026	KDQQUHDAQIQHCW-ZETCQYMHSA-N	232.110	2.756	50	40	BFGB	
CCCC/C(C)=N\NC(=O)Cc1ccccc1	5417524	GSVSUXKQEWFBOV-QINSGFPZSA-N	232.327	2.911	50	40	BFGB	
FC(F)(Cl)O[C@H](Cl)C(F)(F)F	14628419	TZZWXBLENLGFDD-SFOWXEAESA-N	218.936	2.919	50	40	BFGB	in-vitro
CC[C@@H](Oc1ccc(C)cc1)C(=O)Cl	40451365	XWALUWSNMHPKSG-SNVBAGLBSA-N	212.676	2.918	50	40	BFGB	
CC1(C)[C@]2(C(=O)O)CC[C@@]1(C)[C@H]2Br	1805552	OBHCEFJZOKLDIF-WHFVKQHSSA-N	247.132	2.661	50	40	BFGB	
CCc1cccc(C(=O)CBr)c1	2243470	VMTKCUQKZDFJOO-UHFFFAOYSA-N	227.101	2.827	50	40	BFGB	in-vitro
Cc1cccc2[nH]cc(C(=O)CCl)c12	20269447	JDVHIVMJZFUSJI-UHFFFAOYSA-N	207.660	2.898	50	40	BFGB	in-vitro
COc1ccc(OC)c(C(=O)CCCCl)c1	32100753	XGAKZRFVYWWEKP-UHFFFAOYSA-N	242.702	2.906	50	40	BFGB	
C[C@H](CBr)Oc1ccc(F)cc1	34164554	NMITXSPJSHCLIK-SSDOTTSWSA-N	233.080	2.988	50	40	BFGB	
FC(F)(F)C(F)(F)CCBr	72265598	YAPVBRYHZPNRIW-UHFFFAOYSA-N	226.970	2.969	50	40	BFGB	in-vitro
C/C(CC(C)C)=N\NC(=O)C1[C@@H]2CCCC[C@@H]12	100506196	FTYUJGZRCYECNZ-SJIAUZAASA-N	236.359	2.961	50	40	BFGB	
Cc1ccc(N/C=C(C#N)\C=C/C#N)cc1	100142714	OCOLJZGNDCDRCE-QTXYNGLRSA-N	209.252	2.894	50	40	BFGB	
CC[C@H](Cl)C(=O)C#Cc1ccccc1	306298393	XOPVZFREPCKSIF-NSHDSACASA-N	206.672	2.625	50	40	BFGB	
CCOC(=O)NN=C1C2CC3CC(C2)CC1C3	4144536	UNUOIMQPJJWYGO-UHFFFAOYSA-N	236.315	2.545	50	40	BFGB	
N#C/C(=C\c1ccccc1)C(=O)Nc1cccnc1	12112564	OPOZSMDYPBLIAR-UKTHLTGXSA-N	249.273	2.627	50	40	BFGB	
CCOc1cc(C=C(C#N)C#N)c(Cl)cc1O	36612546	QVYKUIMSJRSMCU-UHFFFAOYSA-N	248.669	2.875	50	40	BFGB	
COC(=O)[C@@H](Cl)c1c(F)cccc1Cl	50977962	BJWMCFWGBZIOKB-QMMMGPOBSA-N	237.057	2.932	50	40	BFGB	
COc1ccc(C=O)cc1OCCCCl	59756785	GXFIBIUATIMWGM-UHFFFAOYSA-N	228.675	2.515	50	40	BFGB	
Cc1cc(F)ccc1C#CCBr	95632305	LUCVVLBYMFJYDP-UHFFFAOYSA-N	227.076	2.881	50	40	BFGB	
O=C1OC(=O)c2c1ccc1ccc(Cl)cc21	103923663	OKYDGVMQXHOELK-UHFFFAOYSA-N	232.622	2.804	50	40	BFGB	
ClC[C@H]1CC(C2CCCCC2)=NO1	68590112	UCQLAKJKFUGRDV-SECBINFHSA-N	201.697	2.950	50	40	BFGB	in-vitro
O=C(Cl)c1csc(-c2cccnc2)n1	90476808	JTYSZJURMOQRTP-UHFFFAOYSA-N	224.672	2.584	50	40	BFGB	
F[C@H](Br)Cc1ccccc1	91251919	OLKZFUUMHKYTJC-QMMMGPOBSA-N	203.054	2.920	50	40	BFGB	
Cc1cc(OC(=O)CCl)ccc1-n1cccc1	8702872	UBGXZMBWCAZSPE-UHFFFAOYSA-N	249.697	2.930	50	40	BFGB	
Fc1ccc2nc(CCl)oc2c1F	14988110	DQWQFLDHDUHCTB-UHFFFAOYSA-N	203.575	2.845	50	40	BFGB	
COc1ccccc1-c1cn(CCl)cn1	199738427	PVDNLHIGPNOSKR-UHFFFAOYSA-N	222.675	2.755	50	40	BFGB	
Cc1nc(C2CC2)cc(C(=O)Cl)c1C	685937012	HBRRLTSJGQXPAT-UHFFFAOYSA-N	209.676	2.955	50	40	BFGB	
CCCCC[C@@]1(C)OC(=O)C[C@H]1Cl	4804543	SAOIVSYYVCZVDJ-PSASIEDQSA-N	204.697	2.880	50	40	BFGB	
O=C/C(=C\O)c1nc2cc(Cl)ccc2o1	12375120	SOARIVOODAJEJZ-GQCTYLIASA-N	223.615	2.579	50	40	BFGB	
CN(C)c1ccc(-c2nc(CCl)no2)cc1	20284651	RQPVTOUISAJVKA-UHFFFAOYSA-N	237.690	2.541	50	40	BFGB	
O=C(CCl)c1c[nH]c2nc(Cl)ccc12	34556877	RSEKGQADBAYFDQ-UHFFFAOYSA-N	229.066	2.638	50	40	BFGB	
COc1cccc(C(=O)[C@@H](C)Br)c1	39643341	CEFXHBRXSXDXRD-SSDOTTSWSA-N	243.100	2.661	50	40	BFGB	
COC(=O)[C@H](Cl)[C@@H](C)c1ccccc1	50978173	TVPXLYSPHBATPL-WCBMZHEXSA-N	212.676	2.571	50	40	BFGB	
CCOc1cc(C(=O)Cl)ccc1F	95739459	LPBHAWNQEGUPND-UHFFFAOYSA-N	202.612	2.603	50	40	BFGB	
CCOC(=O)/C(C#N)=C\c1cc2ccccc2o1	98002271	QHCDBGPDHYWAGB-FLIBITNWSA-N	241.246	2.903	50	40	BFGB	
Br[C@H]1CC=CC[C@H]1Br	100182474	AAJZFOGMZOTJFE-OLQVQODUSA-N	239.938	2.863	50	40	BFGB	
ClC[C@@H]1CO[C@@H](c2ccc(Cl)cc2)O1	1674892	PWUSSDSFKIJXBB-NXEZZACHSA-N	233.094	2.993	50	40	BFGB	
CCOC(=O)c1cccc(CBr)c1	66325610	DFHLEVVOQATPLA-UHFFFAOYSA-N	243.100	2.758	50	40	BFGB	
BrCC[C@H](Br)C1CC1	138719617	RVYOYFINVSGAEL-LURJTMIESA-N	241.954	2.945	50	40	BFGB	
CCOP(=O)(CC(C)=CC#N)OCC	1857524523	OPUURRZDCJCVGT-UHFFFAOYSA-N	217.205	2.722	50	40	BFGB	
COC[C@H](C)n1c(C)cc(C(=O)CCl)c1C	3886207	XGSDKZPTNPJMEY-VIFPVBQESA-N	243.734	2.734	50	40	BFGB	
Nc1ccc(N(CCCl)CCCl)cc1	4430833	HWAVIYAFGOQVNJ-UHFFFAOYSA-N	233.142	2.553	50	40	BFGB	
COc1ccc(C(=O)CCCCl)cc1OC	9237784	NJZZHHJHABGARR-UHFFFAOYSA-N	242.702	2.906	50	40	BFGB	
O=C/C=C\c1ccc(Br)cc1	13542601	XYRAWLRFGKLUMW-UPHRSURJSA-N	211.058	2.661	50	40	BFGB	
Cc1ccc(C(=O)N/N=C\c2ccccc2)cc1	31647468	NFRNQIUUFKWQQG-WJDWOHSUSA-N	238.290	2.759	50	40	BFGB	
CO[C@H](CBr)c1ccccc1F	50479666	AKBHSXBTMUCRNP-SECBINFHSA-N	233.080	2.908	50	40	BFGB	
Nc1cc2ccccc2cc1C(=O)Cl	95704880	JLQBLHWSEICIPO-UHFFFAOYSA-N	205.644	2.801	50	40	BFGB	
O=C(N/N=C/c1cccs1)c1ccc(F)cc1	262906	ZASXCHKYKFFZFA-RIYZIHGNSA-N	248.282	2.651	50	40	BFGB	
Cc1cc(NC(=O)CCCCCCl)no1	2577720	MARXXYSJJLWPCJ-UHFFFAOYSA-N	230.695	2.721	50	40	BFGB	
Cc1nc2cc(NC(=O)CCl)ccc2s1	43830421	DBKRSQJEKQVXNC-UHFFFAOYSA-N	240.715	2.782	50	40	BFGB	
O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@@H]2Cl	108424404	QNJGTYRBSMIEHN-IAACVSQYSA-N	214.692	2.505	50	40	BFGB	
CC(=O)c1ccccc1NC(=O)C(Cl)Cl	5439018	RXPVDFOFHSWFKA-UHFFFAOYSA-N	246.093	2.631	50	40	BFGB	
O=C(N/N=C\c1ccc(F)cc1)c1ccccc1	33287659	DQYNLPXKASWMSL-YBEGLDIGSA-N	242.253	2.590	50	40	BFGB	
O=[P@]1(Cl)OCC[C@H]2CCCCN21	301054390	CCPKWBICDJDBAD-JMCQJSRRSA-N	209.613	2.608	50	40	BFGB	
CCCOC(=O)/C(C#N)=C\c1ccccc1	5298671	MOPPVNICVIWNRE-XFXZXTDPSA-N	215.252	2.547	50	40	BFGB	
COc1cc(C)ccc1C(=O)CBr	8037247	IAZADMHPVRMXMC-UHFFFAOYSA-N	243.100	2.581	50	40	BFGB	in-vitro
Cc1cccc(C(=O)N/N=C\c2ccc(C)o2)c1	33319091	KXSFOXPNWHMYOG-DHDCSXOGSA-N	242.278	2.660	50	40	BFGB	
CC[C@@H](Oc1ccccc1OC)C(=O)Cl	36720652	MXJNSOWUYKCMMO-MRVPVSSYSA-N	228.675	2.618	50	40	BFGB	
Clc1cncc(CBr)c1	39120778	PSRPKNNXHNFILZ-UHFFFAOYSA-N	206.470	2.630	50	40	BFGB	in-vitro
C=CCN(Cc1cccs1)C(=O)[C@@H](C)Cl	57211690	IMXRYFAWSYWFNI-SECBINFHSA-N	243.759	2.890	50	40	BFGB	in-vitro
O=C(CCl)Nc1cc(F)ccc1Cl	72207589	WKSRXOKPHMXZHX-UHFFFAOYSA-N	222.046	2.656	50	40	BFGB	in-vitro
O=C(CCCCl)NC[C@H]1C[C@@H]2CC[C@@H]1C2	100968602	VGRXRLYBJGLETD-GMTAPVOTSA-N	229.751	2.558	50	40	BFGB	
CC[C@@H](C)/C(C)=N/NC(=O)c1ccc(O)cc1	7945603	DRFUTVCMGHZNQD-QFPXSISXSA-N	234.299	2.544	50	40	BFGB	
Cc1ccccc1C(=O)NN=Cc1ccccc1	11582535	OGPWPXOUEMTHSD-UHFFFAOYSA-N	238.290	2.759	50	40	BFGB	
F[C@H](Br)[C@]1(F)C=CC(F)(F)O1	68591050	LYYPBEBABNTTQQ-IMJSIDKUSA-N	234.974	2.522	50	40	BFGB	
CC1(C)C[C@@H]2C=C(C=O)[C@@]3(C=O)C[C@]3(C)[C@@H]2C1	100082525	PJAAESPGJOSQGZ-BTQDYEIMSA-N	232.323	2.773	50	40	BFGB	
C[C@@]1(CCc2ccccc2)OC[C@H](CCl)O1	1686269	WYVLZWLTRHLJRK-QWHCGFSZSA-N	240.730	2.990	50	40	BFGB	
O=C(Cl)c1csc(-c2ccco2)n1	16124689	BDCUNTBTJMORKR-UHFFFAOYSA-N	213.645	2.782	50	40	BFGB	
CCCCCCC/C=C\[C@@H]1CC(=O)OC1=O	103692069	FGQUIQAGZLBOGL-TYBABMIJSA-N	224.300	2.993	50	40	BFGB	
Cc1c(C(=O)CCl)[nH]c2ccccc12	495174	PXTQNGWDIPCPJP-UHFFFAOYSA-N	207.660	2.898	50	40	BFGB	
Clc1ncc(CBr)s1	34278975	OWPROLAUPCMXRS-UHFFFAOYSA-N	212.499	2.691	50	40	BFGB	
CSCC1(CBr)CCOCC1	83171732	SQRLJOYSVVUYBW-UHFFFAOYSA-N	239.178	2.541	50	40	BFGB	in-vitro
ClCc1nnc(C2CCCCC2)o1	21950350	GSBCSGBCPPEULM-UHFFFAOYSA-N	200.669	2.856	50	40	BFGB	
COc1cc(C)c([N+](=O)[O-])c(C)c1C(=O)Cl	57339632	DJQTVFCJVXNFBB-UHFFFAOYSA-N	243.646	2.599	50	40	BFGB	
O=C(O)C[C@@H](Br)c1ccccc1	1733932	JQRMHJWFYKSDNQ-MRVPVSSYSA-N	229.073	2.597	50	40	BFGB	
Fc1ccc2c(c1)C[C@H](CBr)O2	4578992	LWMNGWOYGHJPHQ-MRVPVSSYSA-N	231.064	2.524	50	40	BFGB	
COC(/C=C/Nc1ccc(C)cc1)=C(C#N)C#N	100332034	CMYSBEPTKWCVOQ-BQYQJAHWSA-N	239.278	2.868	50	40	BFGB	
CC(C)(CCl)C(=O)NCc1ccccc1F	2564927	MLBXAUSLTIZZIH-UHFFFAOYSA-N	243.709	2.707	50	40	BFGB	
C[C@@H](CCl)N1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	6487177	BMGJFQMEEAEQAG-SVNGYHJRSA-N	213.752	2.592	50	40	BFGB	
O=C(O)c1cccc(CBr)c1Cl	59426196	JDYWKIZCEHRLFJ-UHFFFAOYSA-N	249.491	2.933	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	100889536	ZWRHZCDJUHUGET-QHZLYTNSSA-N	229.751	2.555	50	40	BFGB	in-vitro
Cl[C@H]1Oc2ccccc2O[C@@H]1Cl	97949884	MKFKHXCVLVUARS-YUMQZZPRSA-N	205.040	2.588	50	40	BFGB	
C[C@@H](NC(=O)CCl)c1ccc(Cl)cc1	3887983	LHQVFSANFAUBFJ-SSDOTTSWSA-N	232.110	2.756	50	40	BFGB	
O=[S@]1Nc2cc3ccccc3cc2S1	6576619	GNFAVUZDAKAZJV-AWEZNQCLSA-N	221.306	2.936	50	40	BFGB	
Fc1ccc(-c2cc(CCl)[nH]n2)cc1	65288526	BGWBDBGZAABFSC-UHFFFAOYSA-N	210.639	2.955	50	40	BFGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc[cH-]1	100931697	GMFKHALJRKIKIL-RVDMUPIBSA-N	225.271	2.560	50	40	BFGB	
ClCCCN1CCCC[C@H]1CCl	5046680	DJDLKHMZWYZCFR-VIFPVBQESA-N	210.148	2.709	50	40	BFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)C1CCCCC1	5382485	CSKUPJIJZIEQBV-PNZORISLSA-N	232.327	2.635	50	40	BFGB	
Nc1ccc(OC(F)(F)[C@@H](F)Cl)cc1	5580930	KRJGYZGOFPUZRH-SSDOTTSWSA-N	225.597	2.775	50	40	BFGB	
Cn1nc(C(=O)Cl)cc1-c1cccs1	12370336	GDRPADSBNGOLQL-UHFFFAOYSA-N	226.688	2.528	50	40	BFGB	
CN(C)c1ccc(C(=O)CCCCl)cc1	36203278	ALXSNSBWTOFYQX-UHFFFAOYSA-N	225.719	2.954	50	40	BFGB	
C/C(C=O)=C\c1ccccc1OC(F)F	86208102	IMLZSTAZGKYKNK-SOFGYWHQSA-N	212.195	2.890	50	40	BFGB	in-vitro
O=C(NN=Cc1ccccc1F)c1ccccc1	254746489	BXIIVGFLDBHJKU-UHFFFAOYSA-N	242.253	2.590	50	40	BFGB	
N#CC(=C1SCCS1)C(F)(F)F	521466	PXSDCKLBXJZIHN-UHFFFAOYSA-N	211.233	2.764	50	40	BFGB	
CN(CCCl)CCCCCCCl	1691474	UXQIBCQMUUIYPT-UHFFFAOYSA-N	212.164	2.956	50	40	BFGB	
BrCCCCN1CCCCC1	40989974	VUXYDJQBFNXBNT-UHFFFAOYSA-N	220.154	2.647	50	40	BFGB	
COc1ccc(CCl)c(F)c1OC	1672311	RASIHJHGNLXRPH-UHFFFAOYSA-N	204.628	2.582	50	40	BFGB	
O=C(N/N=C/CCc1ccccc1)c1ccco1	4199303	VKUSOOIBYVQLDB-XNTDXEJSSA-N	242.278	2.628	50	40	BFGB	
CO/C=C(\C(=O)OC)c1ccccc1CCl	34279399	QHBMFLGCOYKWJH-FLIBITNWSA-N	240.686	2.586	50	40	BFGB	
N#C/C(=C/O)c1ccc(Br)cc1	100367266	RLNLEKCYESWZSJ-VURMDHGXSA-N	224.057	2.872	50	40	BFGB	
Cc1occc1C(=O)Oc1ccc([N+](=O)[O-])cc1	103198851	UKXYHAJNNKMVOK-UHFFFAOYSA-N	247.206	2.715	50	40	BFGB	
O=C(Cl)Cc1nc2ccccc2s1	1687761	HHXXZBQCAQIFRG-UHFFFAOYSA-N	211.673	2.604	50	40	BFGB	
N#C/C(=C\c1ccco1)C(=O)Nc1ccccc1	173357	ZUSSPVVDJJZZMR-PKNBQFBNSA-N	238.246	2.825	50	40	BFGB	
O=CC1=C(Cl)c2ccccc2SC1	4990841	DADSQEKJVIEJHZ-UHFFFAOYSA-N	210.685	2.941	50	40	BFGB	
CCC/C=N/NC(=O)c1ccc(Cl)cc1O	16972475	ICNBIOAIXZCQHR-AWNIVKPZSA-N	240.690	2.561	50	40	BFGB	
O=C(N/N=C/C=C\c1ccccc1)c1ccco1	17420994	PROWJSOMZWKJHN-JBCREXSLSA-N	240.262	2.709	50	40	BFGB	
Cc1cc(N2CCCC2)ncc1CCl	72223466	NRGQVBWLSBVRFX-UHFFFAOYSA-N	210.708	2.729	50	40	BFGB	
ClCc1ccc(Br)nc1	33947573	OBELEIMYZJJCDO-UHFFFAOYSA-N	206.470	2.583	50	40	BFGB	
Oc1ccc(N(CCCl)CCCl)cc1	1639696	WRVLEDLJKOSANT-UHFFFAOYSA-N	234.126	2.676	50	40	BFGB	
CCCCNC(=O)/C(C#N)=C\c1ccc(F)cc1	33471270	MDHZWQPRIRJVQV-XFXZXTDPSA-N	246.285	2.649	50	40	BFGB	
F[C@@H](C(F)(F)F)C(F)(F)COCCCl	98210573	FIXMQBXJJXHCQE-SCSAIBSYSA-N	244.562	2.778	50	40	BFGB	
N#CC(C#N)=C1NC(c2ccccc2)=CS1	100903673	RWQLWHGFQKUREY-UHFFFAOYSA-N	225.276	2.580	50	40	BFGB	
Oc1ccc(N=C=S)c2cccnc12	205538348	QRNODIRURHDXLN-UHFFFAOYSA-N	202.238	2.675	50	40	BFGB	
CCOC(=O)/C(C#N)=C/c1ccsc1C	256297	NMSFHVABQGSFLO-UXBLZVDNSA-N	221.281	2.527	50	40	BFGB	
CC(C)=NNC(=O)c1cccc2ccccc12	4156053	YPMXUGXVMSKDDG-UHFFFAOYSA-N	226.279	2.965	50	40	BFGB	
CCOC(=O)N/N=C(\C)[C@@H]1C[C@@H]2CC[C@@H]1C2	102123542	AHHMMDWWIPBZFE-NQQRGSMTSA-N	224.304	2.545	50	40	BFGB	
Cc1ccc(C(=O)[C@H](C)Cl)cc1F	238423613	FTEQOULXRKUUOW-ZETCQYMHSA-N	200.640	2.944	50	40	BFGB	
CC(=C\c1ccccc1)/C=C(\C#N)C(N)=S	408543470	PFPRYBBWUJYMJU-SMTGYRLFSA-N	228.320	2.826	50	40	BFGB	
CC(=O)c1ccc(C[C@H](C#N)SC#N)cc1	5235377	NDEDWOSIWTWBCM-GFCCVEGCSA-N	230.292	2.538	50	40	BFGB	
Cc1nnc(SCCCCCl)s1	43646527	RSOFUZDTOKMRBU-UHFFFAOYSA-N	222.766	2.958	50	40	BFGB	
CCOc1cc(OC)ccc1C(=O)CCl	106679626	INSWNLNXKJQCJG-UHFFFAOYSA-N	228.675	2.515	50	40	BFGB	
ClC[C@@H]1CCCN(c2ccc(Cl)nn2)C1	72202883	ZACPWYBDGKQDRB-QMMMGPOBSA-N	246.141	2.585	50	40	BFGB	
CO[C@H]1CCCC[C@H]1CCBr	85396024	VWTAYUIGWZRNFL-IUCAKERBSA-N	221.138	2.977	50	40	BFGB	
C[C@@H](CCl)NC(=O)OCc1ccccc1	91351818	FYXUQSKCPRXENP-VIFPVBQESA-N	227.691	2.540	50	40	BFGB	
CC(C)c1cnc(CCl)nc1Cl	95094010	SFZCHDFMWIOWFA-UHFFFAOYSA-N	205.088	2.992	50	40	BFGB	
Cc1ccc([C@]2(C)OC[C@H](CCl)O2)cc1	1689220	CJHIJQSTQLRGBP-NWDGAFQWSA-N	226.703	2.822	50	40	BFGB	
O=CC(=C\c1ccco1)/C(C=O)=C/c1ccco1	16940174	ZUNSZDDFBZNPMB-MKICQXMISA-N	242.230	2.737	50	40	BFGB	
COc1ccccc1C(=O)[C@H](C)Br	57665836	FPLIHNQJYDCWBM-ZETCQYMHSA-N	243.100	2.661	50	40	BFGB	
CC(C)N(Cc1ccsc1)C(=O)CCl	79436258	LGAVMQQGTOZYGF-UHFFFAOYSA-N	231.748	2.724	50	40	BFGB	
O=C[C@@H]1Cc2ccccc2CC[C@H]1Cl	1857793600	XSMHCZASEXGJOR-NWDGAFQWSA-N	208.688	2.598	50	40	BFGB	
C/C(CC(C)C)=N\NC(=O)COc1ccccc1	4587689	SIMLEGWQUAKNBU-NTCAYCPXSA-N	248.326	2.604	50	40	BFGB	
CN(NC(=O)Nc1ccccc1)c1ccccc1	6638181	QSRMQVYTPJEOGP-UHFFFAOYSA-N	241.294	2.860	50	40	BFGB	
C[C@@H](CBr)Oc1ccc(F)cc1	34164553	NMITXSPJSHCLIK-ZETCQYMHSA-N	233.080	2.988	50	40	BFGB	
Cc1c(C=C(C#N)C#N)c2ccccc2n1C	59679738	RLXOKFHUHKPIHB-UHFFFAOYSA-N	221.263	2.917	50	40	BFGB	
CCOC(=O)/C(O)=C(/C#N)c1ccccc1CC	104056118	GYOUVCZPKKNZGC-OUKQBFOZSA-N	245.278	2.605	50	40	BFGB	
C[C@@H](Br)Cc1ccc2c(c1)OCO2	1711240	HRTRXPZBWBBZNP-SSDOTTSWSA-N	243.100	2.741	50	40	BFGB	
Cc1ccc(/C=C(\C#N)C(=O)N2CCCC2)s1	3311542	HAEWKONYXZATHB-DHZHZOJOSA-N	246.335	2.586	50	40	BFGB	
ClCc1cncn1CCc1ccccc1	59979997	ANVRJECGDINVRO-UHFFFAOYSA-N	220.703	2.865	50	40	BFGB	
CCOc1ccc(C(=O)Cl)c(F)c1	71867346	FTJONAPGITZXSQ-UHFFFAOYSA-N	202.612	2.603	50	40	BFGB	
BrC[C@H]1CC(c2cccs2)=NO1	217840341	FYHLPQCPQSDHBA-ZCFIWIBFSA-N	246.129	2.636	50	40	BFGB	
CC(C)OC(=O)NNc1cccc(Cl)c1	1655940	XXMJLNVCUYMLPE-UHFFFAOYSA-N	228.679	2.802	50	40	BFGB	
Fc1cccc(Cn2ccc(N=C=S)n2)c1	2536528	JNPDWQXRNMXYOC-UHFFFAOYSA-N	233.271	2.805	50	40	BFGB	
CC[C@H](C)N(C(=O)CCl)[C@@H](C)CC	4219109	OATNNNLJLRYGDZ-IUCAKERBSA-N	205.729	2.651	50	40	BFGB	in-vitro
[C-]#[N+]CC(=O)OC/C(C)=C/[C@H](C)CC=C	104899190	XQAGGCFQPHEYPC-UEUZTHOGSA-N	207.273	2.607	50	40	BFGB	
C[N+]12CCCC[C@@H]1[C@H](CBr)CCC2	4044326	NBHQDJXHWDFYIY-VUDPYIQVSA-N	247.200	2.790	50	40	BFGB	
ClC[C@H]1CO[C@@H](/C=C\c2ccccc2)O1	4792507	LTJFSXKYSVJBLM-QHDQMSKJSA-N	224.687	2.680	50	40	BFGB	
COc1ccc(O[C@@H](C)CBr)cc1	41291824	OZWWTQQWESNJCJ-QMMMGPOBSA-N	245.116	2.857	50	40	BFGB	
O=Cc1ccc(F)cc1CBr	98210774	MSYBZGZQLGYSKZ-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
C[C@H](Br)[C@H](Cl)Br	100075124	XWACZKSYLJCQIJ-HRFVKAFMSA-N	236.334	2.730	50	40	BFGB	
N#C[C@H]1CCC[C@@H](CBr)C1	4722824	VDLVKZNINMRGFK-SFYZADRCSA-N	202.095	2.711	50	40	BFGB	
N#C/C(=C\c1cccc(O)c1)c1ccccn1	7155251	JIHWMAZKAIJHPC-XYOKQWHBSA-N	222.247	2.851	50	40	BFGB	
CC(C)(C)c1cnc(CBr)o1	72207556	UUGLYJOGUDPWFG-UHFFFAOYSA-N	218.094	2.867	50	40	BFGB	
CCN(CC)c1ncc(CCl)cc1C	72222215	WMBBFHDSHQVABM-UHFFFAOYSA-N	212.724	2.975	50	40	BFGB	
CN(N)[P@](=O)(Cl)C(Cl)(Cl)Cl	104234229	VWYZJOIYBAOWND-SNVBAGLBSA-N	245.861	2.552	50	40	BFGB	
BrCc1ccc2cccnc2n1	117764470	WZOXOZKCOOBYIL-UHFFFAOYSA-N	223.073	2.525	50	40	BFGB	
CC1(C)CC(N=C=S)CC(C)(C)N1O	4262203	XMNKCZZGBMOWFO-UHFFFAOYSA-N	214.334	2.500	50	40	BFGB	
O=C(NN=C1CCCCCCC1)c1ccccn1	5019986	BLMRMKCFJPMZCL-UHFFFAOYSA-N	245.326	2.912	50	40	BFGB	
O=C(Cl)c1cnc(Cl)cc1Cl	79058168	UHLHNLZULRWKJR-UHFFFAOYSA-N	210.447	2.767	50	40	BFGB	
N#CC(C#N)=Cc1ccc(N2CCCCC2)o1	40949	NKQIKCKCBMXLQN-UHFFFAOYSA-N	227.267	2.700	50	40	BFGB	
N#CC1=CCC[C@@H](c2ccc([N+](=O)[O-])cc2)O1	4267455	LRLOPHNVOQJCTF-LBPRGKRZSA-N	230.223	2.854	50	40	BFGB	biogenic
COc1ccc(C#CCBr)cc1F	95632212	SZNXLOGBSVQCDX-UHFFFAOYSA-N	243.075	2.581	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@H](C(=O)O)C1	616568909	ILLJYPXDDMGNID-KYZUINATSA-N	230.380	2.871	50	40	BFGB	
O=C(N/N=C/c1cccs1)Nc1ccccc1	555203	VTQSGKRPEXUDCB-UKTHLTGXSA-N	245.307	2.904	50	40	BFGB	
CCC(CC)CI	71875378	FQQKJFCXOKMBTA-UHFFFAOYSA-N	212.074	2.858	50	40	BFGB	
CC/C(O)=C(\C#N)c1nc2ccccc2[nH]1	100285178	BSQHESYAAZYILW-FLIBITNWSA-N	213.240	2.766	50	40	BFGB	
O[C@H](CCl)c1ccc(Br)cc1	12506173	NGBKYBZRHPFKQX-MRVPVSSYSA-N	235.508	2.721	50	40	BFGB	in-vitro
CCCCCC(=O)N/N=C\c1ccccc1F	33907073	AJYRFDPHLNJOOM-GDNBJRDFSA-N	236.290	2.856	50	40	BFGB	
O=C(Cl)Cc1ccccc1OC(F)F	78406453	VUCGIFLXEZYBLF-UHFFFAOYSA-N	220.602	2.596	50	40	BFGB	
C[Si](C)(C)C#CCO[Si](C)(C)C	195488855	SWNKZFSGGJUUGT-UHFFFAOYSA-N	200.430	2.719	50	40	BFGB	
CCCC/C=N/NC(=O)COc1cccc(C)c1	4178994	NAIDBQPROCBMLL-OQLLNIDSSA-N	248.326	2.666	50	40	BFGB	
C[C@@H]1CC=C(C#N)O[C@H]1OCc1ccccc1	4267493	IPVCNKGPKGDABU-BXUZGUMPSA-N	229.279	2.993	50	40	BFGB	biogenic
O=C(N/N=C/C=C/c1ccccc1)c1ccco1	1698009	PROWJSOMZWKJHN-JBZDNPHWSA-N	240.262	2.709	50	40	BFGB	
CN(N=O)C(=O)Oc1cccc2ccccc12	5688669	FFSXTYIBUNXZMF-UHFFFAOYSA-N	230.223	2.952	50	40	BFGB	
O=C(O)[C@@H](Cl)c1ccc(Cl)cc1	34068785	FMQMNKWDDJUULQ-ZETCQYMHSA-N	205.040	2.705	50	40	BFGB	
COc1ccccc1O[C@H](C)CBr	41291815	MPFBAXRGDBVKGH-MRVPVSSYSA-N	245.116	2.857	50	40	BFGB	
CN1CCC(=C(C#N)c2ccccc2)CC1	1706763	XXLJMXOMASOSDX-UHFFFAOYSA-N	212.296	2.689	50	40	BFGB	
O=C(CCCCl)Nc1ccc(F)c(F)c1	5670787	WNOUZTMFEAPHCV-UHFFFAOYSA-N	233.645	2.922	50	40	BFGB	
CC(C)(C)c1ccc(/C=C(\C#N)C(=O)O)cc1	7155460	HYSPKQJTUDHGQV-DHZHZOJOSA-N	229.279	2.976	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1ccc(F)c(F)c1	12504909	UOBXVFFWVLAFHO-RXMQYKEDSA-N	219.618	2.531	50	40	BFGB	in-vitro
CCCCCC(=O)NN(C)c1ccccc1	5614706	KCDARXINRNHMIH-UHFFFAOYSA-N	220.316	2.734	50	40	BFGB	
N#C/C(=C/c1ccco1)C(=O)c1ccco1	6512980	JMLKLNIGDBIHNQ-CLFYSBASSA-N	213.192	2.662	50	40	BFGB	
Cc1cccc(OCc2nnc(CCl)o2)c1	20135827	JYKYWTZVYWBFQD-UHFFFAOYSA-N	238.674	2.696	50	40	BFGB	
S=C=Nc1cnccc1Br	144100411	ZTNDLLFWNBXWTA-UHFFFAOYSA-N	215.075	2.578	50	40	BFGB	
C[C@@H](Cl)C(=O)c1cccc(F)c1C#N	307231590	CIMZTDBMOXVRDV-ZCFIWIBFSA-N	211.623	2.507	50	40	BFGB	
ClCCN[C@@H]1c2ccccc2C[C@H]1Cl	1685670	CTZBHTNSQKDLIH-GHMZBOCLSA-N	230.138	2.720	50	40	BFGB	
COc1ccccc1CBr	2005056	WAUNFWSVXRPCDQ-UHFFFAOYSA-N	201.063	2.590	50	40	BFGB	in-vitro
COc1ccc(CCBr)c(OC)c1	34475426	GHEXBSWBFDHXLT-UHFFFAOYSA-N	245.116	2.641	50	40	BFGB	
CCOc1ccc(-c2nnc(CCl)o2)cc1	4219031	JOLLRICCFLRLNT-UHFFFAOYSA-N	238.674	2.874	50	40	BFGB	
Oc1ccc(OC(F)(F)[C@H](F)Cl)cc1	15442318	IHSZEBVZILGPJR-ZETCQYMHSA-N	226.581	2.898	50	40	BFGB	
O=[N+]([O-])c1cccc(OCCCCl)c1	22170167	TUVHZIRZPUPODN-UHFFFAOYSA-N	215.636	2.603	50	40	BFGB	
COc1cccc(OC)c1CBr	34581658	GXAOHKNCTGIDHH-UHFFFAOYSA-N	231.089	2.599	50	40	BFGB	
FC(F)(F)c1ccnc(CBr)c1	95830063	KNLWHJPQIAJTOY-UHFFFAOYSA-N	240.022	2.995	50	40	BFGB	
CCCCO[C@H](CC)CBr	22113116	RFTXRWCZYVNUCH-MRVPVSSYSA-N	209.127	2.977	50	40	BFGB	
COc1cc2c(cc1OC)[C@H](Cl)NC(C)=N2	96029300	CRVGBNSXZSRDKQ-LLVKDONJSA-N	240.690	2.594	50	40	BFGB	
ClC[C@@H](Cl)C[n+]1cccc2ccccc21	3168159	XFASQQKPHAOGMP-LLVKDONJSA-N	241.141	2.974	50	40	BFGB	
Cc1cc(F)c(C(=O)CCl)cc1F	74942403	GROGBMJHIFPNNG-UHFFFAOYSA-N	204.603	2.695	50	40	BFGB	in-vitro
COc1cc(C(=O)[C@@H](C)Cl)ccc1F	238333059	SBARTEHCGJVUFK-ZCFIWIBFSA-N	216.639	2.644	50	40	BFGB	
N#CCCn1cc(C(=O)CCl)c2ccccc21	3410454	DEWIHIAEWZBZCR-UHFFFAOYSA-N	246.697	2.976	50	40	BFGB	
CCCCC[C@H](C)NC(=O)C(Cl)Cl	5464950	QRAPJQROROZIKG-ZETCQYMHSA-N	226.147	2.875	50	40	BFGB	
O=C(N/N=C/c1ccsc1)c1cccc(F)c1	6331292	ZCEZFXRFAKMQJG-VGOFMYFVSA-N	248.282	2.651	50	40	BFGB	
O=C(CCl)Nc1cc(-c2ccccc2)no1	196274750	AAYXZVUBLCEHSJ-UHFFFAOYSA-N	236.658	2.519	50	40	BFGB	
Cc1ncc(Br)cc1N=C=S	238573133	MJDUOGDKUMDJEW-UHFFFAOYSA-N	229.102	2.887	50	40	BFGB	
O=C1C[C@H]2CCCC[C@H]2C[C@@H]1Br	5014670	UHWFJMIIIQHSRW-YIZRAAEISA-N	231.133	2.919	50	40	BFGB	
CC[C@@H](C)NC(=O)/C(C#N)=C/c1ccccc1	5655223	HRFLOAFRVHMELO-VSXLWIIGSA-N	228.295	2.508	50	40	BFGB	
N#CC1=C(N)Oc2ccccc2[C@@H]1c1ccccc1	7516545	YNHWYIXMVLBILD-HNNXBMFYSA-N	248.285	2.905	50	40	BFGB	
N#CC(C#N)=Cc1ccc2ncccc2c1	12524119	FUIIJTCGBKDOEZ-UHFFFAOYSA-N	205.220	2.665	50	40	BFGB	
CN1CCC[C@H](c2cccc(C(=O)Cl)c2)C1	32918933	PZXQLEXSRJBKJV-LBPRGKRZSA-N	237.730	2.875	50	40	BFGB	
O=c1[nH]c2ccc(CCCCl)cc2s1	34525880	DEDTZRIXJDBVGF-UHFFFAOYSA-N	227.716	2.761	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1ncc(C(C)(C)C)o1	72220079	YMCZEFOWIJCVPG-ZCFIWIBFSA-N	230.695	2.538	50	40	BFGB	
O=C1C[C@@H]2CCCC[C@H]2C[C@@H]1Br	5014671	UHWFJMIIIQHSRW-CIUDSAMLSA-N	231.133	2.919	50	40	BFGB	
CC1(C)CCCC2=C1C[C@H]1C(=O)OC(=O)[C@@H]1C2	100472723	PMCKZAHMLHCQQZ-NXEZZACHSA-N	234.295	2.603	50	40	BFGB	
O=C1Nc2ccccc2N=NN1CCCl	104272863	QQKYYRFKDRTWCF-UHFFFAOYSA-N	224.651	2.772	50	40	BFGB	
O=CN(Cc1ccccc1)/N=C/c1ccccc1	4018056	NHEKCFMSLDSTNF-LFIBNONCSA-N	238.290	2.679	50	40	BFGB	
C[C@@H](CBr)Oc1ccccc1F	41260165	HCRGUKRUWMWEAX-ZETCQYMHSA-N	233.080	2.988	50	40	BFGB	
CC[C@H](Br)Cc1ccncc1	63045580	IKYWQEVKAXMLLT-VIFPVBQESA-N	214.106	2.798	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccc(F)c(F)c1F	3887327	ZDXFSIFUFRWIQZ-BYPYZUCNSA-N	237.608	2.670	50	40	BFGB	
O=C(O)C12C[C@@H]3CC(C[C@@H](C3)C1)[C@@H]2Cl	108424401	QNJGTYRBSMIEHN-FNPGPVBOSA-N	214.692	2.505	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(F)c(C#N)c1	308799953	KBZDSKDIDHQYPE-VIFPVBQESA-N	225.650	2.897	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(CBr)C(=O)C2	1716024	NWKJJEBSNWZSOD-GMSGAONNSA-N	231.133	2.777	50	40	BFGB	
O=C(Cl)c1snnc1-c1ccccc1	2513581	XJSOHHRUTCSLKU-UHFFFAOYSA-N	224.672	2.584	50	40	BFGB	
O=C(CCCl)c1cc(F)cc(F)c1	144642391	NVYJNCZZRKEEDI-UHFFFAOYSA-N	204.603	2.776	50	40	BFGB	
C[C@@H](Cl)C(=O)c1ccc(F)c(C#N)c1	307750338	JNENJKZFCMGRSO-ZCFIWIBFSA-N	211.623	2.507	50	40	BFGB	
C[C@H]1CC=C(C#N)O[C@@H]1OCc1ccccc1	4267492	IPVCNKGPKGDABU-FZMZJTMJSA-N	229.279	2.993	50	40	BFGB	biogenic
O=C(CCl)Nc1c(O)ccc2ccccc12	98063953	WQYXEJHVUOSIKM-UHFFFAOYSA-N	235.670	2.723	50	40	BFGB	
COc1cccc(C(=O)[C@H](C)Br)c1	39643340	CEFXHBRXSXDXRD-ZETCQYMHSA-N	243.100	2.661	50	40	BFGB	
C#CP(c1ccccc1)c1ccccc1	59628246	XRINTCBCHUYEDP-UHFFFAOYSA-N	210.216	2.710	50	40	BFGB	
CCOC(=O)[C@@H](Br)C1CCCCC1	335957	FTYNNRHJKRDCEJ-VIFPVBQESA-N	249.148	2.893	50	40	BFGB	
O=C(Cl)c1ccc2ccccc2c1O	20248539	BGDWGIMWXKYYOG-UHFFFAOYSA-N	206.628	2.924	50	40	BFGB	
CCCCC(=O)N/N=C\c1ccc(Cl)cc1	31671983	QUKRPLRAZKCJLR-ZROIWOOFSA-N	238.718	2.980	50	40	BFGB	
CCO[C@H](C)c1nc(CCl)cs1	43519539	ZSFHOWIYRLZKQM-ZCFIWIBFSA-N	205.710	2.979	50	40	BFGB	in-vitro
O=C(OCc1ccccc1)N1CC[C@H](Cl)C1	79436560	QDJDFKNDEFPEIN-NSHDSACASA-N	239.702	2.636	50	40	BFGB	
O=C(N/N=C\C=C/c1ccccc1)c1ccco1	17420991	PROWJSOMZWKJHN-YLWCQUKYSA-N	240.262	2.709	50	40	BFGB	
COc1ccc(N(CCCl)CCCl)cc1	1663860	XEXFMTLVGVELAA-UHFFFAOYSA-N	248.153	2.979	50	40	BFGB	
O=C(CBr)C1CCC(F)(F)CC1	96373631	KEDIVRGYXYQZEK-UHFFFAOYSA-N	241.075	2.776	50	40	BFGB	in-vitro
CC/C(=N/NC(N)=O)C1=C[C@]2(C)CC[C@@H]1C2(C)C	100363202	GYIQVZBYGRXYFN-QPFKIYQLSA-N	249.358	2.803	50	40	BFGB	
Cc1ccc(CI)cc1	1687587	YVJQXZQIGSNYKS-UHFFFAOYSA-N	232.064	2.930	50	40	BFGB	
O=C(CCl)c1ccc(Br)s1	2576038	LLKNSKSZYVBKOO-UHFFFAOYSA-N	239.521	2.932	50	40	BFGB	
COc1ccc(/C=C\C#N)c(Cl)c1OC	33373963	GQKIWSMNRGSSSV-ARJAWSKDSA-N	223.659	2.894	50	40	BFGB	
C[C@H](Br)[C@@H](Cl)Br	100075120	XWACZKSYLJCQIJ-STHAYSLISA-N	236.334	2.730	50	40	BFGB	
C[C@H](Cl)C(=O)c1cc(F)ccc1F	19269234	QGDIWNINYZREAL-YFKPBYRVSA-N	204.603	2.775	50	40	BFGB	
CCOC(=O)C[C@@H](Cl)c1ccccc1	34455589	PXQAQGIZUIQDMA-SNVBAGLBSA-N	212.676	2.920	50	40	BFGB	
CC(C)CC(=O)OCCSCCCl	1668698	BDPRADXVRDAZQZ-UHFFFAOYSA-N	224.753	2.548	50	40	BFGB	
C/C(=N\NC(=O)c1ccco1)c1cccc(C)c1	5619299	HQEMPEWGRBJDJZ-RVDMUPIBSA-N	242.278	2.742	50	40	BFGB	
C[C@@H](NC(=O)CCl)c1cc2ccccc2o1	7989024	VDGCIPVYFVAGCG-MRVPVSSYSA-N	237.686	2.849	50	40	BFGB	
CC1CCC(C#N)(N(C)C(=O)[C@@H](C)Cl)CC1	71376458	LCYAQZNQZRMAOQ-SQLBVSGCSA-N	242.750	2.545	50	40	BFGB	
O=C(O)c1ccc(CCCBr)cc1	1673500	NMHDEMMOFNSQES-UHFFFAOYSA-N	243.100	2.712	50	40	BFGB	
O=C(CCl)N[C@H](c1ccccc1)c1ccco1	4206337	CZXQFYYXMSVEED-CYBMUJFWSA-N	249.697	2.724	50	40	BFGB	
Fc1cc(F)c2nc(CCl)oc2c1	84770716	OLNVDJCAMRIJKK-UHFFFAOYSA-N	203.575	2.845	50	40	BFGB	
ClCCSCCSCCCl	1656163	AMGNHZVUZWILSB-UHFFFAOYSA-N	219.202	2.930	50	40	BFGB	
COc1ccc(F)cc1C(=O)[C@@H](C)Cl	26514465	CEVOGASEXVLZCA-ZCFIWIBFSA-N	216.639	2.644	50	40	BFGB	
Nc1ccc(SC(F)(F)[C@@H](F)Cl)cn1	33417063	SCRPQERVNRVCFC-ZCFIWIBFSA-N	242.653	2.883	50	40	BFGB	
C[C@H](Cl)C(=O)N(C)[C@@H](C)c1ccccc1F	37830266	ZLENWMHHDNSFIN-IUCAKERBSA-N	243.709	2.972	50	40	BFGB	
CN1c2ccccc2S[C@@H]2C=CC(C#N)=C[C@@H]21	48024935	VVTVMRJQNKINKL-GXTWGEPZSA-N	240.331	2.985	50	40	BFGB	
CC(C)(C)C#C/C=C\CBr	71603336	OOLYZFSILFGXCC-XQRVVYSFSA-N	201.107	2.987	50	40	BFGB	
CO[C@H](c1ccccc1)c1noc(CCl)n1	72417707	ZGLNDFJCLYGPOM-SNVBAGLBSA-N	238.674	2.544	50	40	BFGB	
O=C(Cl)Cc1ccc(OC(F)F)cc1	78406441	BPODUMXUIDAVHK-UHFFFAOYSA-N	220.602	2.596	50	40	BFGB	
CSc1nsc(SC)c1C(=O)Cl	2555922	RGTALKSXFRVNIG-UHFFFAOYSA-N	239.774	2.966	50	40	BFGB	
N#CSc1ccc(NC(=O)CCl)c(F)c1	3289457	KCXMHBXYHRPGNL-UHFFFAOYSA-N	244.678	2.576	50	40	BFGB	
S=C=Nc1ccc(Br)nc1	238063380	VVILLOMKUYMNRT-UHFFFAOYSA-N	215.075	2.578	50	40	BFGB	
C[C@@H](Cl)C(=O)N(Cc1ccsc1)C1CC1	40492021	QZBDNJBLOUSZTA-MRVPVSSYSA-N	243.759	2.866	50	40	BFGB	
Cc1cc(SC#N)cc2sc(N)nc12	45946587	KBEZWFKFENVONG-UHFFFAOYSA-N	221.310	2.760	50	40	BFGB	
COc1cc(OC)cc(C(=O)CCCCl)c1	87124043	WWTGQDBIHZKUJC-UHFFFAOYSA-N	242.702	2.906	50	40	BFGB	
[C-]#[N+]CCc1cccc(Br)c1	95698340	WEEAFRMAQHMHLK-UHFFFAOYSA-N	210.074	2.911	50	40	BFGB	
O=C=NCCc1cccc(Cl)c1Cl	47844238	DTRCRRCMRPREIJ-UHFFFAOYSA-N	216.067	2.872	50	40	BFGB	in-vitro
CC1(C)[C@@H]2Cc3c(ccc4c3C(=O)OC4=O)[C@H]1C2	104232908	SGAGWFNOBCBBMB-RDDDGLTNSA-N	242.274	2.683	50	40	BFGB	
CC(=O)n1cc(C=C(C#N)C#N)c2ccccc21	1515609	NFANSWGYQZUCNV-UHFFFAOYSA-N	235.246	2.732	50	40	BFGB	
Cc1ccc(/C=N/NC(=O)c2ccc(C)o2)cc1	5540078	DUSHYYASQVUVLE-OQLLNIDSSA-N	242.278	2.660	50	40	BFGB	
Cc1ncc(CCl)n1Cc1ccccc1	13281746	OYNKLQDQVJWVHG-UHFFFAOYSA-N	220.703	2.979	50	40	BFGB	
CCOC(=O)[C@H](Br)C1CCCCC1	335956	FTYNNRHJKRDCEJ-SECBINFHSA-N	249.148	2.893	50	40	BFGB	
CCCc1ccccc1NC(=O)NCCCl	1615019	MTIQUCZZTOTSGP-UHFFFAOYSA-N	240.734	2.999	50	40	BFGB	
Cc1cccc(P(=O)(O)c2cccc(C)c2)c1	1615678	DMYUIWLPXRKHAY-UHFFFAOYSA-N	246.246	2.525	50	40	BFGB	
O=C(CCl)Nc1nc2cc(Cl)ccc2o1	1998521	DDBLLZWYBUXMDY-UHFFFAOYSA-N	245.065	2.659	50	40	BFGB	
O=C(CCCl)Nc1ccc2ncccc2c1	5338218	MEJWPBZPOJIEQQ-UHFFFAOYSA-N	234.686	2.802	50	40	BFGB	
ClCc1nnc2ccc(-c3ccccc3)nn12	27656047	BYMVMQDUKBIGKE-UHFFFAOYSA-N	244.685	2.530	50	40	BFGB	
COc1ccc2[nH]c(C(=O)Cl)cc2c1	34492579	PIXUDMBBSQODTP-UHFFFAOYSA-N	209.632	2.556	50	40	BFGB	
C[C@@H](c1ccc(F)c(F)c1)N(C)C(=O)CCl	37654121	DDENIFWNVVXNSJ-ZETCQYMHSA-N	247.672	2.723	50	40	BFGB	in-vitro
Cc1ccc2cnccc2c1C(=O)Cl	536952979	GFQGSNQDMIQFJU-UHFFFAOYSA-N	205.644	2.922	50	40	BFGB	
Cc1ccc(C(=O)NC2=C(C#N)CCC2)cc1	1422625	ZFPPDEXGXKQHSP-UHFFFAOYSA-N	226.279	2.686	50	40	BFGB	
Cc1cc(SC#N)ccc1NC(=O)CCl	3289752	NWTYLKJIMSBFDQ-UHFFFAOYSA-N	240.715	2.746	50	40	BFGB	
CC(C)(C)c1ccc(O)c(NC(=O)CCl)c1	4519970	SGDWWQQMZDCXDY-UHFFFAOYSA-N	241.718	2.867	50	40	BFGB	
CCC(CC)=NNC(=O)c1ccc([N+](=O)[O-])cc1	5427781	QORPDNQRKRLKLF-UHFFFAOYSA-N	249.270	2.501	50	40	BFGB	
C[C@H]1CCCC/C1=N\NC(=O)c1ccccc1	18057566	AFLUFEWWPWSSRT-VJSMGTLGSA-N	230.311	2.983	50	40	BFGB	
Cc1ccc(/C=C(/C#N)C(=O)NC2CCCC2)o1	96610743	CABUBJNVZWSPGO-FLIBITNWSA-N	244.294	2.554	50	40	BFGB	
C[C@]1(CBr)[C@@H]2CC[C@@]1(C)C(=O)C2	157955	JOXACTPHKLKJNP-JEZHCXPESA-N	231.133	2.777	50	40	BFGB	
O=C(O)C[C@H](Br)c1ccccc1	2042248	JQRMHJWFYKSDNQ-QMMMGPOBSA-N	229.073	2.597	50	40	BFGB	
COC(=O)c1ccc([C@H]2C[C@H]2Cl)cc1	2559245	CLVKCKHVLAARKJ-NXEZZACHSA-N	210.660	2.568	50	40	BFGB	
CCCCC(=O)N/N=C\c1ccccc1Cl	31670237	RDWHPZDFSOJAKF-ZROIWOOFSA-N	238.718	2.980	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@H]1C[C@H]2C=C[C@@H]1C2	225631058	NUPFPBLLUREADH-YPJKWXMKSA-N	244.294	2.516	50	40	BFGB	
CC(C)N(C=C(C#N)C#N)/N=C\c1ccccc1	8638143	NNFRECPXCDWHEX-YVLHZVERSA-N	238.294	2.662	50	40	BFGB	
O=C(Cl)c1cnc(-c2cccs2)nc1	12370788	LUAIVFGXNDEYFW-UHFFFAOYSA-N	224.672	2.584	50	40	BFGB	
N#C[C@@H]1CCC[C@@H](CBr)C1	1685145	VDLVKZNINMRGFK-HTQZYQBOSA-N	202.095	2.711	50	40	BFGB	
Fc1cccc(Cc2nc(CCl)no2)c1	34955951	FTHOKEKULDOICB-UHFFFAOYSA-N	226.638	2.538	50	40	BFGB	
Cl[C@H]1CCCN(Cc2ccccc2)C1	39199440	CAZPTZSOOQVBMU-LBPRGKRZSA-N	209.720	2.890	50	40	BFGB	in-vitro
O=C1C[C@H](c2ccc(CCl)c(F)c2)CCN1	199776008	FOQSDJLOOBJKQM-SECBINFHSA-N	241.693	2.558	50	40	BFGB	
O=C(Cc1ccccc1)N/N=C/C1CCCCC1	8462698	MGTDLDWWNQXNJE-FOWTUZBSSA-N	244.338	2.911	50	40	BFGB	
O=C(Cl)CCc1cccc(OC(F)F)c1	78406307	HMWNXBQKBDDTFC-UHFFFAOYSA-N	234.629	2.986	50	40	BFGB	
N#Cc1ccc(C(=O)CCCCl)cc1F	389409486	NUCFKRZDMGZKBG-UHFFFAOYSA-N	225.650	2.899	50	40	BFGB	
COc1ccc(C(C)=C(C#N)C#N)cc1OC	2770220	BDQFKKNCELGAJL-UHFFFAOYSA-N	228.251	2.524	50	40	BFGB	
COCCCn1c(C)cc(C(=O)CCl)c1C	3887659	DBKCEMSBVAHIIJ-UHFFFAOYSA-N	243.734	2.563	50	40	BFGB	
C[C@@H](Cl)C(=O)NCc1ccccc1Cl	8155949	BTVPJHXOTDGWSV-SSDOTTSWSA-N	232.110	2.584	50	40	BFGB	
Fc1ccc2c(c1)C[C@@H](CBr)O2	4578993	LWMNGWOYGHJPHQ-QMMMGPOBSA-N	231.064	2.524	50	40	BFGB	
Cc1ccc2cc(CCCl)c(=O)[nH]c2c1C	5592243	ZIRPZZHCVOYVBV-UHFFFAOYSA-N	235.714	2.926	50	40	BFGB	
CC(C)N(C=C(C#N)C#N)/N=C/c1ccccc1	1713207	NNFRECPXCDWHEX-LICLKQGHSA-N	238.294	2.662	50	40	BFGB	
CCCCC(=O)N/N=C1\CCCC[C@H]1C	5951001	FSYSGXPYBZTEBH-IMTQZCPYSA-N	210.321	2.859	50	40	BFGB	
COC(=O)[C@@H](Cl)[C@@H](C)c1ccccc1	50978167	TVPXLYSPHBATPL-WPRPVWTQSA-N	212.676	2.571	50	40	BFGB	
Fc1ccc(F)c(CCBr)c1	55243636	JBQSHYIBLWFUPH-UHFFFAOYSA-N	221.044	2.902	50	40	BFGB	
Br[C@@H]1COC2(CCCCC2)C1	215961936	FHXBHZFDEBUFDK-QMMMGPOBSA-N	219.122	2.873	50	40	BFGB	
CSc1ccc(C(=O)CCl)cc1	4200449	PUPBKNOXYVMRCH-UHFFFAOYSA-N	200.690	2.830	50	40	BFGB	in-vitro
CC(C)N(Cc1ccccc1)C(=O)CCl	3268019	PMCFTLWMSKQBFS-UHFFFAOYSA-N	225.719	2.662	50	40	BFGB	
O=C1OC(=O)[C@@H]2[C@@H]3CC[C@H](C3=C3CCCCC3)[C@@H]12	104057160	LEEYHIQGDMSAHO-FPQZTECRSA-N	246.306	2.603	50	40	BFGB	
C[C@@H]1C[C@@H](OC(=O)CCl)CC(C)(C)C1	4803552	DRHNFPBZFRIGQN-RKDXNWHRSA-N	218.724	2.983	50	40	BFGB	
COC(=O)c1[nH]c2ccc(C)cc2c1N=C=S	67172521	OWTPTUFGAQLULQ-UHFFFAOYSA-N	246.291	2.997	50	40	BFGB	
Cc1ccc2[nH]c(NCCCl)nc2c1	2024507	XDPFGYFSTZCJPA-UHFFFAOYSA-N	209.680	2.522	50	40	BFGB	
C/C=N/NC(=O)COc1cc(C)ccc1C(C)C	4545265	MQCWSZIOECZVEC-PJQLUOCWSA-N	248.326	2.619	50	40	BFGB	
O=C(N/N=C/C=C/c1ccco1)C1CCCC1	63382885	PILJISAUGDLVIB-IHQIRTPXSA-N	232.283	2.585	50	40	BFGB	
Cc1csc(/C(C#N)=C\c2cccnc2)n1	96843791	INQGBUZNQRRBTK-WZUFQYTHSA-N	227.292	2.911	50	40	BFGB	
CCCOC(=O)/C(C#N)=C\c1ccc(OC)cc1	5298670	MAZUUFMIUTXWHD-XFXZXTDPSA-N	245.278	2.555	50	40	BFGB	
ClCc1ccc(OCc2ccco2)nc1	43220387	UFGHXJFONPQMDB-UHFFFAOYSA-N	223.659	2.992	50	40	BFGB	
CCCCC(=O)N/N=C1\CCCC[C@@H]1C	5950999	FSYSGXPYBZTEBH-GYXQTMOZSA-N	210.321	2.859	50	40	BFGB	
CC[C@H]1Cc2cccc(C(=O)Cl)c2O1	521825119	YDARVMDDRHKDAN-QMMMGPOBSA-N	210.660	2.779	50	40	BFGB	
Cc1ccc(C(=O)NN=C2CCCC2)cc1	498255	PWQZEKFAFNGKLZ-UHFFFAOYSA-N	216.284	2.655	50	40	BFGB	
Cc1cccc(C(=O)OCCBr)c1	1768440	XCZBZHZTCUMIFA-UHFFFAOYSA-N	243.100	2.547	50	40	BFGB	
CCOC(=O)/C(C#N)=C/c1cc2ccccc2o1	2577511	QHCDBGPDHYWAGB-DHZHZOJOSA-N	241.246	2.903	50	40	BFGB	
O=C(CCl)c1csc(N2CCCCC2)n1	6652001	ZYGUFZQODJWFOY-UHFFFAOYSA-N	244.747	2.555	50	40	BFGB	
N#Cc1ccc(N=C=O)cc1C(F)(F)F	34623054	BQRKAMKMDZEEES-UHFFFAOYSA-N	212.130	2.544	50	40	BFGB	
Cc1cncc(Oc2ccc(N=C=O)cc2)n1	12370730	ABVOFXCRJAZHGH-UHFFFAOYSA-N	227.223	2.545	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C[C@@H]2Cl	198927784	AOHYWMNHGNRNKL-XROYCOCOSA-N	216.708	2.895	50	40	BFGB	
CN(C(=O)CCl)[C@@H]1CCCc2ccccc21	4205104	FLTYMFJRZLOGIY-GFCCVEGCSA-N	237.730	2.761	50	40	BFGB	
CCCc1nnc(NC(C)(C)CCl)s1	5235726	OJFBBHFAYJQOOO-UHFFFAOYSA-N	233.768	2.920	50	40	BFGB	
CC1(C)[C@H]2C=C[C@H](Br)C(=O)[C@@H]1C2	43762135	GYRYTKFGXWIPRO-FXQIFTODSA-N	229.117	2.551	50	40	BFGB	
COC(=O)c1ccc(C(=O)CCCCl)cc1	231425761	XCVSJHFUCGJPCX-UHFFFAOYSA-N	240.686	2.675	50	40	BFGB	
O=C(Cl)COc1cccc2ccccc12	1605945	ZOORULWLQVVPOJ-UHFFFAOYSA-N	220.655	2.984	50	40	BFGB	in-vitro
CCN(CC)C(=O)/C(C#N)=C/c1ccccc1C	2744246	RBFFYTINPJTQAV-GXDHUFHOSA-N	242.322	2.770	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@@H]1CCC[C@@H](C)[C@@H]1C	12504689	NIRDDXXHNBLIBQ-XFWSIPNHSA-N	217.740	2.555	50	40	BFGB	in-vitro
CC1(C)[C@H]2CC[C@]1(CBr)[C@@H](O)C2	26460536	RBBMBWFNBKIZND-NRPADANISA-N	233.149	2.569	50	40	BFGB	
Cc1nc2ccccn2c1CBr	73647998	XOCCRVKDEGBPIJ-UHFFFAOYSA-N	225.089	2.538	50	40	BFGB	
Fc1cc(C#CCBr)cc(F)c1F	95632740	PXYSUTPMODYDAL-UHFFFAOYSA-N	249.029	2.850	50	40	BFGB	
CC[C@H](C)N(C(=O)CCl)[C@H](C)CC	12504847	OATNNNLJLRYGDZ-DTORHVGOSA-N	205.729	2.651	50	40	BFGB	in-vitro
C#CCOc1ccc(Cl)cc1/C=C/C#N	107965501	FXTFMBWGFXTKTB-ONEGZZNKSA-N	217.655	2.889	50	40	BFGB	
O=C(CCCCl)NC[C@@H]1C[C@H]2CC[C@H]1C2	245225438	VGRXRLYBJGLETD-DCAQKATOSA-N	229.751	2.558	50	40	BFGB	
O=[P@]1(Cl)OCC[C@@H]2CCCCN21	105131606	CCPKWBICDJDBAD-JVXZTZIISA-N	209.613	2.608	50	40	BFGB	
Cc1cccc(CN(C(=O)CCl)C(C)C)c1	33468850	UWKZIBSCNGCSSU-UHFFFAOYSA-N	239.746	2.971	50	40	BFGB	
N#Cc1cccc(C(=O)CCCCl)c1	196027202	BWQNIEJTPYXDBH-UHFFFAOYSA-N	207.660	2.760	50	40	BFGB	
ClC[C@H]1CO[C@@H](CCc2ccccc2)O1	1676839	LVEXQJQCORNRGK-NWDGAFQWSA-N	226.703	2.600	50	40	BFGB	
COc1ccc(NC(=O)C2=C(C#N)CCC2)cc1	83947519	ZHKIGZPECLGNTC-UHFFFAOYSA-N	242.278	2.638	50	40	BFGB	
N#Cc1cc(N=C=S)ccc1OC(F)F	95532193	MJFURCLJWBXVJV-UHFFFAOYSA-N	226.207	2.894	50	40	BFGB	
CC(=O)CCO[Si](C)(C)C(C)(C)C	195938294	FNQOZVBPYZGHNO-UHFFFAOYSA-N	202.370	2.987	50	40	BFGB	biogenic,in-vitro
C/C(=N/NC(=O)[C@@H]1C[C@@H]1c1ccccc1)C1CC1	175105	XXFCTZAFEIRUJB-PJMOXLGBSA-N	242.322	2.692	50	40	BFGB	
N=C(CCl)NCC1C2CC3CC(C2)CC1C3	1733116	QYKXKWMHWJGXQG-UHFFFAOYSA-N	240.778	2.864	50	40	BFGB	
CCN(C(=O)[C@@H](C)Cl)c1ccccc1	3379273	GGSOFYRMISJWQI-SECBINFHSA-N	211.692	2.667	50	40	BFGB	in-vitro
CC[C@@H](CNC(=O)[C@@H](C)Cl)c1ccccc1	4206099	WIKKHIBCQBDBRJ-MNOVXSKESA-N	239.746	2.924	50	40	BFGB	
COc1ccc(C)cc1NC(=O)[C@@H](C)Cl	8855822	PTWOSQAFEUCGDT-MRVPVSSYSA-N	227.691	2.569	50	40	BFGB	in-vitro
ClC[C@H]1CC(Cc2ccccc2)=NO1	39186204	BJZSBJIFEGEUFY-LLVKDONJSA-N	209.676	2.613	50	40	BFGB	
O=C(Cl)CN1CCC(c2ccccc2)CC1	39960317	OJCQKEAQONUNBH-UHFFFAOYSA-N	237.730	2.631	50	40	BFGB	
C[C@@H](CBr)[C@@H](C)Br	196276251	BUSRMHUIGFKVAM-CRCLSJGQSA-N	229.943	2.801	50	40	BFGB	
C[C@]1(CCl)C(=O)C=Cc2ccccc21	1561967	ZVIKNSWLVCFEKJ-GFCCVEGCSA-N	206.672	2.779	50	40	BFGB	
CN(NC(=O)OC(C)(C)C)c1ccccc1	36533217	MAVCVTWTNOQESH-UHFFFAOYSA-N	222.288	2.563	50	40	BFGB	
CN1c2ccccc2S[C@H]2C=CC(C#N)=C[C@H]21	101242762	VVTVMRJQNKINKL-OCCSQVGLSA-N	240.331	2.985	50	40	BFGB	
C[C@H](Cl)C(=O)NCc1ccccc1Cl	8155948	BTVPJHXOTDGWSV-ZETCQYMHSA-N	232.110	2.584	50	40	BFGB	
ClCc1cn(-c2ccccc2Cl)nn1	52224853	PKKZVQSXNHZENX-UHFFFAOYSA-N	228.082	2.660	50	40	BFGB	
CCOC(=O)/C(C#N)=C/[C@@H](C)c1ccccc1	5064406	MFLJZPNENIEBMK-VSXLWIIGSA-N	229.279	2.803	50	40	BFGB	
C/C(CCCCCCCCC#N)=N\NC(N)=O	16911545	QOOGJKIQQRXAQB-RVDMUPIBSA-N	238.335	2.675	50	40	BFGB	
C[C@]1(CCl)COc2ccccc2C1=O	45929604	LJLYSDVGXRWIJT-NSHDSACASA-N	210.660	2.507	50	40	BFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@H]12)c1ccc(F)cc1	6332110	SGLWKWOLBKMRQQ-FZCVSMTESA-N	244.269	2.508	50	40	BFGB	
O=C/C=C/c1cccc(C(F)(F)F)c1	21304303	JMKMLIWUWJNVIG-DUXPYHPUSA-N	200.159	2.918	50	40	BFGB	in-vitro
Fc1ccc(Pc2ccc(F)cc2)cc1	59339924	DQHUBXVOJVHJAH-UHFFFAOYSA-N	222.174	2.594	50	40	BFGB	
CC(C)CN(C(=O)CCl)c1cccc(O)c1	199755501	PEIFHIYJDDPHPF-UHFFFAOYSA-N	241.718	2.620	50	40	BFGB	
COc1ccc(C(=O)[C@@H](C)Cl)c(OC)c1	3379353	QQFJJXPXMRAEFS-SSDOTTSWSA-N	228.675	2.514	50	40	BFGB	
CC(/C=C/c1ccccc1F)=N/NC(=O)C(C)C	15973634	VMTZTRXWSQQMST-UVBRKHIMSA-N	248.301	2.987	50	40	BFGB	
C=CCOc1cc([N+](=O)[O-])ccc1CCl	96024902	DTYRXTDPSDWCFC-UHFFFAOYSA-N	227.647	2.898	50	40	BFGB	
Cc1nc2cc(Cl)ccn2c1C(=O)Cl	96029613	DMRATDWKWACQKJ-UHFFFAOYSA-N	229.066	2.675	50	40	BFGB	
CC(C)Oc1ccc(/C=C(/C#N)C(N)=S)cc1	6256480	LEEGPBZBEPRWSJ-XFFZJAGNSA-N	246.335	2.667	50	40	BFGB	
CC(C)[C@H](NC(=O)CCl)c1ccc(F)cc1	12505013	JOQZXBVOQPSCHQ-LBPRGKRZSA-N	243.709	2.878	50	40	BFGB	
Cc1cc(C(=O)Cl)cc(C(=O)Cl)c1	59297109	YSXOYXCYBUMJPT-UHFFFAOYSA-N	217.051	2.753	50	40	BFGB	
CC(C)(C)c1ccc([C@H]2CC(=O)OC2=O)cc1	103583365	DUSMMLGEBCIDDX-LLVKDONJSA-N	232.279	2.541	50	40	BFGB	
[C-]#[N+]C1CCN(C(=O)OCc2ccccc2)CC1	106580448	IOTJRARVBGDBHC-UHFFFAOYSA-N	244.294	2.707	50	40	BFGB	
Cl[C@@H]1C[C@H]2CC[C@@H]1[C@H]2Br	104100197	FAZDKRUDSNQPBW-UCROKIRRSA-N	209.514	2.787	50	40	BFGB	
CC1(C)[C@H]2CC(=O)[C@]1(C)C[C@@H]2Br	1027375	CQQIQTIKYYOMEP-BYULHYEWSA-N	231.133	2.775	50	40	BFGB	
COc1ccc(C(=O)N/N=C(\C)C(C)(C)C)cc1	4578439	SAKXGWAZSGTPIT-XNTDXEJSSA-N	248.326	2.847	50	40	BFGB	
Fc1cc2nc(CCl)[nH]c2cc1F	12559251	XKSUDTNRLIXEFE-UHFFFAOYSA-N	202.591	2.580	50	40	BFGB	in-vitro
CN(Cc1ccccc1Cl)C(=O)CCl	37388958	PSTAVRRXLQKZJJ-UHFFFAOYSA-N	232.110	2.537	50	40	BFGB	
O[C@H](CCl)CCc1ccc(Cl)cc1	40442811	VMGHYAYPTGFWEV-JTQLQIEISA-N	219.111	2.872	50	40	BFGB	
Cc1nc(/C(C#N)=C/c2ccnn2C)sc1C	96422190	IXRQNCMGHGBTSY-UXBLZVDNSA-N	244.323	2.558	50	40	BFGB	
FC(F)c1cc(Cl)nc(CCl)n1	217689346	RMXLVJIONLFHSU-UHFFFAOYSA-N	213.014	2.806	50	40	BFGB	
CCc1cc([N+](=O)[O-])ccc1SC#N	226315168	CQLNNXCOEMXCIA-UHFFFAOYSA-N	208.242	2.730	50	40	BFGB	
C[C@H](Cl)C(=O)c1cccc(F)c1C#N	307231588	CIMZTDBMOXVRDV-LURJTMIESA-N	211.623	2.507	50	40	BFGB	
CCN(Cc1ccc(C)cc1)C(=O)CCl	79418676	XYFDSCWVXHLQFG-UHFFFAOYSA-N	225.719	2.582	50	40	BFGB	
ClCc1cn(C2CCCCCC2)nn1	128377468	VRHOWXZXZNDWQP-UHFFFAOYSA-N	213.712	2.912	50	40	BFGB	
CCOC(OCC)C(Cl)(Cl)CCl	1583831	IORZKDICRMLVPS-UHFFFAOYSA-N	235.538	2.798	50	40	BFGB	
Cc1nn(-c2ccccc2)c(C)c1C=C(C#N)C#N	2786340	GFZLCKBOGLAIGP-UHFFFAOYSA-N	248.289	2.920	50	40	BFGB	
ClCc1cnc2ccc(Cl)cn12	12546269	DSVAWPBZCDIBRQ-UHFFFAOYSA-N	201.056	2.727	50	40	BFGB	
O=CC1=C(Cl)CC[C@@]2(C1)CC2(F)F	217601639	DRKOINKZAMSQQM-MRVPVSSYSA-N	206.619	2.888	50	40	BFGB	
CCCCCC[C@H](C)OC[C@H](O)CCl	5418384	GGXHMHHWCRXTHN-WDEREUQCSA-N	222.756	2.962	50	40	BFGB	
BrCCOC1CCCCC1	19415235	RIEJARKPVINFOD-UHFFFAOYSA-N	207.111	2.731	50	40	BFGB	in-vitro
COc1ccc(/C=C/C(=O)Cl)c(C)c1	20154688	QOUYFNRCSPCQMS-GQCTYLIASA-N	210.660	2.782	50	40	BFGB	
C[C@]1(CBr)[C@H]2CC[C@]1(C)[C@H](O)C2	135862897	IZTHFLJIDXSODK-JLIMGVALSA-N	233.149	2.569	50	40	BFGB	
F[C@H](I)C(F)(F)Cl	63148358	XONGRFUEHPBOBB-PVQJCKRUSA-N	244.381	2.549	50	40	BFGB	
C[C@H]1C[C@H](OC(=O)CSC#N)CC(C)(C)C1	1672278	QAMJSLWZOIZUIZ-UWVGGRQHSA-N	241.356	2.959	50	40	BFGB	
C=CCOc1ccccc1C=C(C#N)C#N	4679434	DKSPWIZTBVXFSV-UHFFFAOYSA-N	210.236	2.682	50	40	BFGB	
Fc1cccc(F)c1-c1noc(CCl)n1	89262022	AKGGCGCKEICBGM-UHFFFAOYSA-N	230.601	2.754	50	40	BFGB	
C[C@]1(CBr)[C@@H]2CC[C@@]1(C)[C@@H]2C(=O)O	218262405	VWSHQTXKIQEEDT-KKHAAJSZSA-N	247.132	2.518	50	40	BFGB	
C/C(=N\NC(=O)c1ccc(F)cc1)C(C)(C)C	408784332	QLIKJXOOJVVOOF-OQLLNIDSSA-N	236.290	2.978	50	40	BFGB	
O=C(NN=C1CCCC1)c1ccc(Cl)cc1	260369	GZKYOKRGPTXXIJ-UHFFFAOYSA-N	236.702	3.000	50	40	BFGB	
COc1ccc(Cl)cc1C(=O)CCl	1671966	FUHRBWIGEXOTJD-UHFFFAOYSA-N	219.067	2.770	50	40	BFGB	
O=C1C[C@H]2CCCC[C@H]2C[C@H]1Br	5014667	UHWFJMIIIQHSRW-DJLDLDEBSA-N	231.133	2.919	50	40	BFGB	
O=C(CCCCl)Nc1cccc(F)c1	5671277	OZONWUIOWQTHSL-UHFFFAOYSA-N	215.655	2.783	50	40	BFGB	
COc1cc2c(cc1OC)[C@@H](Cl)NC(C)=N2	96029301	CRVGBNSXZSRDKQ-NSHDSACASA-N	240.690	2.594	50	40	BFGB	
CCCCCCCCOC[C@H](O)CCl	100075103	LLABJEIITAMJKJ-LLVKDONJSA-N	222.756	2.963	50	40	BFGB	
C/C(CC(C)C)=N\NC(=O)c1cccs1	5198022	ATYMOJUDUSFYDN-FMIVXFBMSA-N	224.329	2.900	50	40	BFGB	
CCC/C(C)=N/NC(=O)c1ccc([N+](=O)[O-])cc1	5455006	RDDFXAZDYHMWQL-UKTHLTGXSA-N	249.270	2.501	50	40	BFGB	
CCCCc1nc(C)cc(N=C=S)n1	8731074	JCEPMAOFFLWMGV-UHFFFAOYSA-N	207.302	2.862	50	40	BFGB	
N#Cc1cccc(OCCCBr)c1	36723923	NHGUNSYBMXCWLV-UHFFFAOYSA-N	240.100	2.722	50	40	BFGB	
Cl[C@H]1CSc2nc3ccccc3n2C1	239390	WULGVLPHIXWDON-SSDOTTSWSA-N	224.716	2.749	50	40	BFGB	
CC(=O)c1cccc(NC(=O)CCCCl)c1	4137155	TZEUNOAQZIAEJE-UHFFFAOYSA-N	239.702	2.847	50	40	BFGB	
CCN(C(=O)CCl)C1=CCCCC1	4205630	QOLDHFIDPLVGMJ-UHFFFAOYSA-N	201.697	2.532	50	40	BFGB	
CC(=O)c1c(C)[nH]c(C(=O)[C@H](C)Cl)c1C	4218195	CYIJIRJFNHMPPY-LURJTMIESA-N	227.691	2.644	50	40	BFGB	in-vitro
Cc1ccccc1/C=N\NC(=O)c1ccccc1	5815658	SIZWZRMNHJYUGP-WJDWOHSUSA-N	238.290	2.759	50	40	BFGB	
O=C(CCCCl)NC[C@H]1C[C@H]2CC[C@@H]1C2	16137740	VGRXRLYBJGLETD-HBNTYKKESA-N	229.751	2.558	50	40	BFGB	
CC1(C)[C@@H]2C[C@@H]1Cc1c2ccc2c1C(=O)OC2=O	104232913	SGAGWFNOBCBBMB-WRWORJQWSA-N	242.274	2.683	50	40	BFGB	
N=C1SCCN1C[C@H](Cl)c1ccccc1	3865399	PVMWFCUPSUANSK-JTQLQIEISA-N	240.759	2.950	50	40	BFGB	
C[C@]12CC[C@@H](COC1)[C@@]2(C)CBr	100746662	BHVJSNVANTXHSG-LPEHRKFASA-N	233.149	2.834	50	40	BFGB	
CCOc1ccc([C@H](Cl)C(=O)OC)cc1	50978008	HQNSURSPDGKGIV-JTQLQIEISA-N	228.675	2.538	50	40	BFGB	
COc1ccc(P(=O)(Cl)Cl)cc1	95704827	LOFIFCKKPQFWSH-UHFFFAOYSA-N	225.011	2.991	50	40	BFGB	in-vitro
C[C@@H](Cl)C(=O)c1ccc2c(c1)CCC2	4204325	CQOVKKPNERBRNR-MRVPVSSYSA-N	208.688	2.985	50	40	BFGB	in-vitro
Cc1ccc(C(=O)NCCCCl)cc1C	2081195	VZQWDWDQTIMFOW-UHFFFAOYSA-N	225.719	2.662	50	40	BFGB	
CCN(CC)C(=O)[C@H](Cl)c1ccccc1	3127897	XGCSCGPEXJYFRH-LLVKDONJSA-N	225.719	2.835	50	40	BFGB	in-vitro
CCOC(=O)/C(C#N)=C\c1ccccc1Cl	4712452	AZFSDKAHBOTEAG-YFHOEESVSA-N	235.670	2.810	50	40	BFGB	
N#C/C(=C/Nc1ccccn1)C(=O)c1ccccc1	13466007	IXLWVTYASHXPRT-QBFSEMIESA-N	249.273	2.784	50	40	BFGB	
C[C@@H](Br)C(=O)c1ccc(F)c(F)c1	34516080	JALLRKHRTZCDBV-RXMQYKEDSA-N	249.054	2.931	50	40	BFGB	
CC(C)N(C(=O)CCl)[C@@H](C)c1ccccn1	79421770	GLGBZMMDYBITLA-JTQLQIEISA-N	240.734	2.618	50	40	BFGB	
CC1(C)[C@H]2CC[C@@]1(C)C(=O)[C@H]2Br	100023776	NJQADTYRAYFBJN-BYULHYEWSA-N	231.133	2.775	50	40	BFGB	
N#Cc1cc(C(=O)CCCCl)ccc1F	379894712	BYOLNQULUMRWLP-UHFFFAOYSA-N	225.650	2.899	50	40	BFGB	
C/C(=N/NC(=O)c1ccco1)c1ccc(C)s1	5618559	DYCMXILAIOSMTA-LCYFTJDESA-N	248.307	2.804	50	40	BFGB	
CC1(C)[C@@]2(C)CC[C@@]1(C(=O)O)[C@@H]2Br	100319153	OBHCEFJZOKLDIF-UASFKTIASA-N	247.132	2.661	50	40	BFGB	
C[C@@H](Cl)C(=O)c1ccc(F)c(F)c1	3337398	JKODLKJWJRDZCT-RXMQYKEDSA-N	204.603	2.775	50	40	BFGB	in-vitro
C[C@H]1CCc2ccccc2N1C(=O)CCl	12505027	IHCRAZZCFAMEDH-VIFPVBQESA-N	223.703	2.593	50	40	BFGB	in-vitro
CCOc1ccc([C@@H](C)NC(=O)CCl)cc1	37014252	KMKOLQQSTQFCEY-SECBINFHSA-N	241.718	2.501	50	40	BFGB	
C[C@@]12CN(CCCl)C[C@@H]1[C@@H]1CC[C@@H]2C1	104382751	APPCPJCDSBPQRV-KKOKHZNYSA-N	213.752	2.593	50	40	BFGB	
COc1ccc2c(C)c(N=C=S)c(=O)oc2c1	1872064	FMKKWIANVLCUMH-UHFFFAOYSA-N	247.275	2.844	50	40	BFGB	
CCc1ccc(/C=N/NC(=O)c2ccco2)s1	2739104	QLKPHXIXVFKDLV-MDWZMJQESA-N	248.307	2.667	50	40	BFGB	
Cc1ccc2c(c1)[nH]c(=S)n2C=C(C#N)C#N	5504093	KOZFGGNIOCPHDG-UHFFFAOYSA-N	240.291	2.895	50	40	BFGB	
C[C@@H](Br)c1ncnc(Cl)c1F	19616361	AAESVRBYUDTWKH-GSVOUGTGSA-N	239.475	2.725	50	40	BFGB	
COc1ccccc1/C=C(\C#N)C(=O)C(C)C	44027241	ZJSOJQYQXVXQMO-XYOKQWHBSA-N	229.279	2.827	50	40	BFGB	
O=C(Cl)c1c(O)ccc2ccccc12	83188202	WBJWXIQDBDZMAW-UHFFFAOYSA-N	206.628	2.924	50	40	BFGB	
BrCc1ccc2ncoc2c1	95938146	KVHCMIKTRDUASP-UHFFFAOYSA-N	212.046	2.723	50	40	BFGB	
O=C(CCCCl)NCc1ccc(Cl)cc1	2570331	IAYCWBWVCSZDRJ-UHFFFAOYSA-N	246.137	2.975	50	40	BFGB	
CC1(C)CC(=O)C(C#N)=C(N2CCCCC2)C1	5414901	QMBINCRUNBGCCN-UHFFFAOYSA-N	232.327	2.639	50	40	BFGB	
COc1ccc(CBr)c(F)c1	6484032	MGGMXOCLNXDSEQ-UHFFFAOYSA-N	219.053	2.729	50	40	BFGB	in-vitro
O=C(Cl)C[C@H](C(=O)Cl)c1ccc(F)cc1	100687959	QGYOBXCEYNWYDH-QMMMGPOBSA-N	249.068	2.830	50	40	BFGB	
COc1ccc(Br)cc1/C=C/C=O	1704606	STTFCXMNHDTMJN-NSCUHMNNSA-N	241.084	2.670	50	40	BFGB	
Cn1ccnc1S/C(C=O)=C\c1ccccc1	4469232	MHHIAXKDPPATOF-XFXZXTDPSA-N	244.319	2.752	50	40	BFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)C1CCCCC1	5382487	CSKUPJIJZIEQBV-DCMULQSBSA-N	232.327	2.635	50	40	BFGB	
Cc1cccc(NNC(=O)NC2CCCCC2)c1	8343394	OSOCJXDFGQBGLS-UHFFFAOYSA-N	247.342	2.954	50	40	BFGB	
Cc1ccc(F)cc1NC(=O)[C@@H](C)Cl	19511004	XXWUMDXEVMLIPX-SSDOTTSWSA-N	215.655	2.700	50	40	BFGB	
COC(=O)[C@@H](Cl)c1cccc(Cl)c1	50977874	XVNGCYNGUGKRFR-QMMMGPOBSA-N	219.067	2.793	50	40	BFGB	in-vitro
CC(C)(C)OC1CC(Br)C1	85515852	KPSLXTOCYSMBTR-UHFFFAOYSA-N	207.111	2.727	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@@H]1CC[C@H](O)C1	196821617	NLXIOZRBFNUITF-VHSXEESVSA-N	216.397	2.922	50	40	BFGB	
BrC[C@@H]1CC[C@@H](c2ccccn2)O1	198735895	MMELHAOKCHLRPM-WPRPVWTQSA-N	242.116	2.697	50	40	BFGB	
Fc1ccc2nc(CCCl)ncc2c1	307347983	XZXMKUVRTCAGDC-UHFFFAOYSA-N	210.639	2.550	50	40	BFGB	
O=C(N[C@H]1CCCC[C@@H]1Cl)N1CCCCC1	5375401	YFONBSXDRJXHMY-QWRGUYRKSA-N	244.766	2.732	50	40	BFGB	
C=C1CC(C(=O)N/N=C/c2ccc(Cl)cc2)C1	5377178	CVDRXCMBMOTNJB-OVCLIPMQSA-N	248.713	2.756	50	40	BFGB	
CC(=O)[C@H](Cc1ccc(F)cc1)SC#N	5936652	BEUABYCKQHSNNV-NSHDSACASA-N	223.272	2.540	50	40	BFGB	
COC(=O)c1ccc(F)c(CBr)c1	88190242	LJNYXXWIWSCHKW-UHFFFAOYSA-N	247.063	2.507	50	40	BFGB	
COc1ccc2nc(CCCCl)ncc2c1	396140891	KNMJZKXOEOJFTO-UHFFFAOYSA-N	236.702	2.810	50	40	BFGB	
O=C1C(Cl)=C(c2ccccc2)[C@@H]1Cl	1665558	OJXWQUDNDIYHMD-QMMMGPOBSA-N	213.063	2.827	50	40	BFGB	
Cc1ccc(/C=C(/C#N)C(=O)OC(C)C)s1	296685	KAWXHIJTJDOSBZ-POHAHGRESA-N	235.308	2.915	50	40	BFGB	
CC(C)(C)C#C/C=C/CBr	2556444	OOLYZFSILFGXCC-GQCTYLIASA-N	201.107	2.987	50	40	BFGB	
COC(=O)/C(C#N)=C1/C[C@@H]2CC[C@@]1(C)C2(C)C	5426084	FPTXIHVRRSJXID-UHUWCGGOSA-N	233.311	2.826	50	40	BFGB	
Cc1[nH]c2ccccc2c1C=C(C#N)C#N	125425	PVDNDPALUADGTO-UHFFFAOYSA-N	207.236	2.907	50	40	BFGB	
C[C@@]1(CCl)C(=O)C=Cc2ccccc21	2046507	ZVIKNSWLVCFEKJ-LBPRGKRZSA-N	206.672	2.779	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@@H]1CCCc2ccccc21	3887369	JECZABDCMGFFAP-JOYOIKCWSA-N	237.730	2.808	50	40	BFGB	
O=C(Cl)c1ccc([N+](=O)[O-])c(Cl)c1	57351644	WLIWOGMICIAQMC-UHFFFAOYSA-N	220.011	2.627	50	40	BFGB	in-vitro
Cc1ccc(N=C=O)cc1Br	11802397	ZAEPRKJGVWXMLE-UHFFFAOYSA-N	212.046	2.725	50	40	BFGB	in-vitro
CCc1cc2c(=O)[nH]c([C@H](C)Cl)nc2s1	36275497	VCBDFMWMIKQAPL-YFKPBYRVSA-N	242.731	2.847	50	40	BFGB	
FC(F)(F)c1cc(Cl)nc(CCl)n1	62701300	YCPDXWNOHPCYHM-UHFFFAOYSA-N	231.004	2.888	50	40	BFGB	
O=C(c1cccc([N+](=O)[O-])c1)C(Cl)Cl	80170666	PEFXMYNGSFPNPC-UHFFFAOYSA-N	234.038	2.581	50	40	BFGB	
O=Cc1ccc(CBr)c(F)c1	98210779	ZQOAOEVJEOBIIY-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
O=C(O)CCCCCCCCC(=O)CCl	1567129	WHXGUWTUCZFEAC-UHFFFAOYSA-N	234.723	3.000	50	40	BFGB	
CCCCCCCCOC[C@@H](O)CCl	1598176	LLABJEIITAMJKJ-NSHDSACASA-N	222.756	2.963	50	40	BFGB	
Cc1cc(-c2noc(CCl)n2)ccc1F	22151658	VYBKTWXZKHHWLG-UHFFFAOYSA-N	226.638	2.923	50	40	BFGB	in-vitro
COc1ccc(/C=C(\C#N)C(=O)C(C)C)cc1	44027318	FEOWWNUMZAJUAC-XYOKQWHBSA-N	229.279	2.827	50	40	BFGB	
N#C/C(=C\c1cccc(Cl)c1)C(N)=S	59449454	WKIVMYHMISZSOE-XBXARRHUSA-N	222.700	2.533	50	40	BFGB	
N#C/C(=C/c1ccccc1Cl)C(N)=S	1561201	RARDDTIUBHMBEB-YVMONPNESA-N	222.700	2.533	50	40	BFGB	
C=CCc1ccc(OC(=O)CCl)c(OC)c1	1586505	OLPHKVANQRWWKC-UHFFFAOYSA-N	240.686	2.568	50	40	BFGB	
O=C(CCCl)NC1CCCCCCC1	5897410	IFVKIERAKKRNNB-UHFFFAOYSA-N	217.740	2.844	50	40	BFGB	in-vitro
Br[C@@H]1CCN(Cc2ccccc2)C1	34496519	VOXJTPBOJBQGSL-LLVKDONJSA-N	240.144	2.656	50	40	BFGB	
C[C@H](c1ccccc1)[C@@H]1OC[C@H](CCl)O1	4792519	GPDDRHYDAHHEMX-ADEWGFFLSA-N	226.703	2.770	50	40	BFGB	
CCOc1cccc(C=C(C#N)C#N)c1OC	13140956	ISXXYQCBXPHAIK-UHFFFAOYSA-N	228.251	2.524	50	40	BFGB	
O=C(CCl)Cc1c(F)cccc1Cl	36379646	AQUIHEQWJOQPDS-UHFFFAOYSA-N	221.058	2.830	50	40	BFGB	in-vitro
Cl[C@H]1CC[C@@H]2CCC[C@@H]1SOO2	101137607	OHMCGSWCNDVWLE-FXQIFTODSA-N	208.710	2.905	50	40	BFGB	
N#CC(C#N)=Cc1cc(Br)cs1	100999	GJASMJQSGRATBE-UHFFFAOYSA-N	239.097	2.941	50	40	BFGB	
O=C(CCl)OCCC1CCCCC1	1687379	DRXWZLAIMHQOGA-UHFFFAOYSA-N	204.697	2.739	50	40	BFGB	
NC(=O)N/N=C1/CCCCC1=C1CCCCC1	4962042	MMYYTXYUAXVXMZ-QINSGFPZSA-N	235.331	2.845	50	40	BFGB	
C[C@@H]1CCc2ccccc2N1C(=O)CCl	12505026	IHCRAZZCFAMEDH-SECBINFHSA-N	223.703	2.593	50	40	BFGB	in-vitro
Fc1ccc(Cn2cncc2CCl)cc1	59980039	VJNGXMXRIILGTA-UHFFFAOYSA-N	224.666	2.809	50	40	BFGB	
CCOc1ccc([C@H](Cl)C#N)cc1OC	95094232	UEUPIVYUKBUDSY-SECBINFHSA-N	225.675	2.897	50	40	BFGB	
C[Si](C)(C)CCOCn1ccc(CCl)n1	953055568	QIXUWYIDCPQPOB-UHFFFAOYSA-N	246.814	2.934	50	40	BFGB	
C[C@@]12CC[C@H](CC1=O)[C@@]2(C)CBr	100011730	JOXACTPHKLKJNP-SZEHBUNVSA-N	231.133	2.777	50	40	BFGB	
N#CSc1ccc2ccccc2c1N	41127681	LEMLUKAKUMTSCN-UHFFFAOYSA-N	200.266	2.995	50	40	BFGB	
CO[C@@H]1CCCC[C@@H]1CCBr	85396017	VWTAYUIGWZRNFL-RKDXNWHRSA-N	221.138	2.977	50	40	BFGB	
O=N[C@H]1[C@H]2C[C@@H]([C@H]3CC=C[C@H]32)[C@H]1Br	104373945	SIXMOPYAPOACIA-WBBBMGQGSA-N	242.116	2.727	50	40	BFGB	
Cn1cc(-c2ccc(CCl)cc2)cn1	306670971	FDOZCNUMKBHTHG-UHFFFAOYSA-N	206.676	2.826	50	40	BFGB	
O=c1[nH]c2ccc(Cl)cc2cc1CCl	11980835	SDBILMWYNPXJAR-UHFFFAOYSA-N	228.078	2.920	50	40	BFGB	
CN(C)CCCOc1ccc(CCl)cc1	12370629	BPDJHCARYHUXRP-UHFFFAOYSA-N	227.735	2.756	50	40	BFGB	
N#Cc1cc(CBr)cc(F)c1F	113770806	PFXVIDCUMDORKN-UHFFFAOYSA-N	232.027	2.731	50	40	BFGB	
C[C@]12CCCC[C@H]1[C@H]2C(=O)N/N=C/c1ccco1	408720607	ADNITPNBNNDMQB-OXUCYRIKSA-N	246.310	2.556	50	40	BFGB	
N#CSc1sc(N)nc1-c1ccco1	28294316	RBJORFDZHKXEPQ-UHFFFAOYSA-N	223.282	2.558	50	40	BFGB	
CC1CCC(N(C(=O)CCl)C2CC2)CC1	57211710	JCHHDCMOUBGNMC-UHFFFAOYSA-N	229.751	2.795	50	40	BFGB	in-vitro
FC(F)(Cl)O[C@@H](Cl)C(F)(F)F	14628421	TZZWXBLENLGFDD-PVQJCKRUSA-N	218.936	2.919	50	40	BFGB	in-vitro
O=C=Nc1cccc(Br)c1F	75843808	ZRFJHXRIHLMVCP-UHFFFAOYSA-N	216.009	2.556	50	40	BFGB	
CCOC(=O)c1ccc([C@H](C)Cl)o1	22113257	CZUXQEZYMQSOAN-LURJTMIESA-N	202.637	2.756	50	40	BFGB	
C=CCN(Cc1cccs1)C(=O)[C@H](C)Cl	57211689	IMXRYFAWSYWFNI-VIFPVBQESA-N	243.759	2.890	50	40	BFGB	in-vitro
CCC[C@H]1O[C@@H](CCl)OC[C@@H]1CC	4410846	OQXUFCOWGBRGRD-AEJSXWLSSA-N	206.713	2.793	50	40	BFGB	
C[C@]1(C(=O)OCCCCCl)CC[C@@H]2O[C@H]2C1	254606126	KTEBZYROZXXYOW-NHCYSSNCSA-N	246.734	2.506	50	40	BFGB	
C[C@@H]1CCc2ccccc2N1C(=O)CCCl	2044207	FQNVFACJBGOYPB-SNVBAGLBSA-N	237.730	2.983	50	40	BFGB	
CSC(=C(C#N)C#N)c1ccc(N(C)C)cc1	39644565	POBAXDMQRANDHF-UHFFFAOYSA-N	243.335	2.874	50	40	BFGB	in-vitro
C[C@@H](Cl)c1cc2c(cc1[N+](=O)[O-])OCO2	66322542	OMPQSHASYDBYHK-RXMQYKEDSA-N	229.619	2.623	50	40	BFGB	
CCC[C@@H](CCCBr)OC	85396191	BKAJZWRGISIWHN-QMMMGPOBSA-N	209.127	2.977	50	40	BFGB	
O=[S@@](Cl)C12CC3CC(CC(C3)C1)C2	100488831	BHZSRFGORFYGLW-AOMCXTAVSA-N	218.749	2.858	50	40	BFGB	
N#C/C(=C/c1ccc(-c2ccccc2)cc1)C(N)=O	160683	FOQBACWKDMSJBT-GDNBJRDFSA-N	248.285	2.746	50	40	BFGB	
CN(C(=S)Cl)c1cccc(F)c1	2506762	HSDZSNCIZXXUGE-UHFFFAOYSA-N	203.669	2.786	50	40	BFGB	
CC(=O)N/N=C/c1ccc(-c2ccccc2)cc1	3124673	CELKVDCNTSTMKN-LFIBNONCSA-N	238.290	2.824	50	40	BFGB	
CC1(C)[C@@H](CBr)CC[C@@]1(C)C(=O)O	3845901	YQVIHPCUIKAVMS-XCBNKYQSSA-N	249.148	2.908	50	40	BFGB	biogenic
CCOC(=O)N/N=C(/C)c1ccc(Cl)s1	4750844	DDZJBDZRQLWWKN-WDZFZDKYSA-N	246.719	2.872	50	40	BFGB	
Cc1ccccc1CN(C(=O)CCl)C(C)C	33468849	XYOVEIQIBXNWMC-UHFFFAOYSA-N	239.746	2.971	50	40	BFGB	
Cc1ccccc1Cc1noc(CCl)n1	43560098	CASXRBXDYGZQLJ-UHFFFAOYSA-N	222.675	2.708	50	40	BFGB	in-vitro
O=C(CCl)c1ccc(F)c(Cl)c1	39055418	AASJJWQLIAAUBM-UHFFFAOYSA-N	207.031	2.901	50	40	BFGB	in-vitro
COc1ccc(COC(=O)Cl)cc1	39592416	BOVISBAPSYSQPI-UHFFFAOYSA-N	200.621	2.571	50	40	BFGB	
C[C@@H](Br)C(C)(C)Br	54967637	XLTWAJQKAGLQDX-SCSAIBSYSA-N	229.943	2.943	50	40	BFGB	
CC[C@@H](Cl)C(=O)Nc1ncc(C(C)(C)C)o1	72220081	MFLWYPJZAYWKIR-SSDOTTSWSA-N	244.722	2.928	50	40	BFGB	
O=[N+]([O-])c1ccc(-c2cn(CCl)cn2)cc1	199738544	FTKHITXGBIXHAY-UHFFFAOYSA-N	237.646	2.655	50	40	BFGB	
O=C(CCl)c1sccc1Br	62151938	QYIMZDKCWUCNCB-UHFFFAOYSA-N	239.521	2.932	50	40	BFGB	
O=[N+]([O-])c1cc(F)cc(CBr)c1	82864468	PKGNYGZIPJHZPG-UHFFFAOYSA-N	234.024	2.629	50	40	BFGB	
CCO[C@@H]1O[C@](C)(C=C(C#N)C#N)CC[C@@H]1C	5650877	IQUJVBXHKPNPIG-UHTWSYAYSA-N	234.299	2.528	50	40	BFGB	
Cc1ccc2c(c1)N[C@@H](Cl)N[C@H]2Cl	100252404	GORATHZBKDNINS-RKDXNWHRSA-N	217.099	2.770	50	40	BFGB	
COCn1cc(C(=O)CCl)c2ccccc21	138008719	QIFFZSYGHXKQKV-UHFFFAOYSA-N	237.686	2.667	50	40	BFGB	
OCc1cc(Cl)ccc1CBr	238719990	JOHMOIVGYOTFPE-UHFFFAOYSA-N	235.508	2.727	50	40	BFGB	
COc1cc(C)c(CCl)cc1OC	3887099	OXBVKIJNKCCFQN-UHFFFAOYSA-N	200.665	2.751	50	40	BFGB	
CCCCn1c(C)cc(/C=C(\C#N)C(=O)O)c1C	2650109	YMSKSICYXFGCLY-MDWZMJQESA-N	246.310	2.897	50	40	BFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)C1CCCCC1	5382488	CSKUPJIJZIEQBV-SWLSLZBESA-N	232.327	2.635	50	40	BFGB	
O=C(NN=C1CCCCC1)NC1CCCCC1	6303254	VLKRXUIPBIBLPR-UHFFFAOYSA-N	237.347	2.938	50	40	BFGB	
O=C(CCl)Cc1ccc(Cl)cc1	6535505	ABTYPOQRRMEIMH-UHFFFAOYSA-N	203.068	2.690	50	40	BFGB	in-vitro
CCC[C@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)C)c21	614385	LSTGFVFNROXHRA-QMMMGPOBSA-N	246.314	2.503	50	40	BFGB	
Fc1cccc(Cc2noc(CCl)n2)c1	40677294	HPLORSUCOXORLU-UHFFFAOYSA-N	226.638	2.538	50	40	BFGB	in-vitro
CCOc1ccc(OCC)c(C(=O)CCl)c1	71464061	RQTXSLFUYLQKKA-UHFFFAOYSA-N	242.702	2.906	50	40	BFGB	
O=C(CCl)N1CCCc2cc(Cl)ccc21	82551198	NVEPXKBIAZFINL-UHFFFAOYSA-N	244.121	2.858	50	40	BFGB	
CCCN1C=CC(=CC=C(C#N)C#N)C=C1	405379	VRAKONDMEMVGDZ-UHFFFAOYSA-N	211.268	2.639	50	40	BFGB	
Cc1cccc(Cl)c1NC=C(C#N)C#N	2562082	NBDLYYMMJYSRHZ-UHFFFAOYSA-N	217.659	2.991	50	40	BFGB	
ClC[C@H]1CO[C@H](/C=C\c2ccccc2)O1	4792509	LTJFSXKYSVJBLM-MVSYMCDOSA-N	224.687	2.680	50	40	BFGB	
Cc1ccc(F)cc1C(=O)[C@@H](C)Cl	238425615	OTVDHAKPFSSLHL-SSDOTTSWSA-N	200.640	2.944	50	40	BFGB	
C[C@H](Cl)C(=O)c1ccc2c(c1)CCC2	4204324	CQOVKKPNERBRNR-QMMMGPOBSA-N	208.688	2.985	50	40	BFGB	in-vitro
N#CS/C=C\C(=O)c1ccc(F)cc1	16400641	NLCADANLCUXOIV-WAYWQWQTSA-N	207.229	2.736	50	40	BFGB	
CC(C)c1cc(Cl)nc(CCl)n1	62701738	ZETOMBBQQWKLFZ-UHFFFAOYSA-N	205.088	2.992	50	40	BFGB	in-vitro
CC[C@H](Cl)C(=O)c1ccc2c(c1)OCCO2	71423501	QVVVUQOSZQIOFS-VIFPVBQESA-N	240.686	2.658	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc2c(c1)OCO2	71423558	ZHVNGOCMDSZVSE-MRVPVSSYSA-N	226.659	2.615	50	40	BFGB	
Cl[C@@H](C[n+]1ccccc1)c1ccccc1	6582109	XZNPTWYSKYEXAT-ZDUSSCGKSA-N	218.707	2.954	50	40	BFGB	
Fc1cccc2nc(C(Cl)Cl)cn12	100255963	YCOFITAQIPULIF-UHFFFAOYSA-N	219.046	2.950	50	40	BFGB	
C[C@@H](Cl)C(=O)c1cc(F)c(F)c(F)c1	307241092	ILZQARPNWOFKKF-SCSAIBSYSA-N	222.593	2.914	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccc(C#N)c(Cl)c1	12504922	BLZVELGKALQDHW-LURJTMIESA-N	243.093	2.777	50	40	BFGB	
COCCN1CC[C@@H](Cl)[C@H]2CCCC[C@@H]21	4718139	JWQQYHIMQKCYSK-UTUOFQBUSA-N	231.767	2.505	50	40	BFGB	
O=Cc1ccc(F)c(CBr)c1	98210775	OVAXWLRUSWUXAM-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	
C[C@H](Cl)C(=O)Oc1ccc(Cl)cc1	1684807	ZTFHVLFFQQCYQH-LURJTMIESA-N	219.067	2.873	50	40	BFGB	
CC(C)(CCl)C(=O)Nc1ccc(Cl)cn1	3104444	KKJVDKCCCTVYSA-UHFFFAOYSA-N	247.125	2.939	50	40	BFGB	
N#C/C(=C\c1ccc(Cl)cc1)C(=O)NC1CC1	12474660	XWTOKZBIZKXAFY-JXMROGBWSA-N	246.697	2.526	50	40	BFGB	
C[C@]12CC[C@@H]([C@@H]1C(=O)O)[C@@]2(C)CBr	252516670	VWSHQTXKIQEEDT-WPYKOPORSA-N	247.132	2.518	50	40	BFGB	
ClC[C@H]1CO[C@H](c2ccccc2Cl)O1	1674889	GIMPQTBULMJYJR-XVKPBYJWSA-N	233.094	2.993	50	40	BFGB	
CC(C)(CCl)COC(=O)CCCCl	2163272	PZYUSKUELFHWEH-UHFFFAOYSA-N	227.131	2.814	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1cc(Cl)ccc1C#N	2650174	WASLAAXOUVHPOK-ZCFIWIBFSA-N	243.093	2.777	50	40	BFGB	
CC1=C(CCl)C(=O)c2ccccc2C1=O	3098740	PYQUHGSCPCDFBQ-UHFFFAOYSA-N	220.655	2.621	50	40	BFGB	
O=C(CCl)Nc1cccc(-n2cccc2)c1	8702883	ISIKGUUYUNCBQO-UHFFFAOYSA-N	234.686	2.655	50	40	BFGB	
Cc1ccc2c(c1)OCCCC2=C(C#N)C#N	5747493	TULWJVBFBASLLE-UHFFFAOYSA-N	224.263	2.968	50	40	BFGB	
CC1(C)[C@H]2CC(=O)[C@@]1(C)C[C@H]2Br	584578371	CQQIQTIKYYOMEP-NYNCVSEMSA-N	231.133	2.775	50	40	BFGB	
C[C@@H](c1ccccc1)[C@H]1OC[C@H](CCl)O1	4792520	GPDDRHYDAHHEMX-DLOVCJGASA-N	226.703	2.770	50	40	BFGB	
Cc1cc(Cl)ccc1OCC(=O)CCl	33464838	NLXFWWZMEAWPJP-UHFFFAOYSA-N	233.094	2.835	50	40	BFGB	
C[C@@H]1CCN(C(=O)CCl)[C@H]2CCCC[C@H]21	101377192	JMSUCGPACWGZDL-VWYCJHECSA-N	229.751	2.652	50	40	BFGB	in-vitro
O=C=Nc1nc(-c2ccccc2)n2ccccc12	225746184	MUPBWYROUDZNIE-UHFFFAOYSA-N	235.246	2.969	50	40	BFGB	
C#CCOc1c(Cl)cc(/C=C/C#N)cc1OC	6735777	ACPJYHDULWANQO-SNAWJCMRSA-N	247.681	2.897	50	40	BFGB	
Cc1ccccc1[C@@H](C)NC(=O)[C@H](C)Cl	37389521	JFQPHODKVGGOPX-VHSXEESVSA-N	225.719	2.800	50	40	BFGB	in-vitro
O=C/C=C/c1c(F)c(F)c(F)c(F)c1F	38880094	MSASXPHJYWAVPG-OWOJBTEDSA-N	222.112	2.594	50	40	BFGB	
O=[P@@]1(Cl)OCC[C@@H]2CCCCN21	100374010	CCPKWBICDJDBAD-MADCSZMMSA-N	209.613	2.608	50	40	BFGB	
Cc1ccsc1/C=N/NC(=O)OC(C)(C)C	3251366	CVMMPCIAKJAFNS-KPKJPENVSA-N	240.328	2.915	50	40	BFGB	
ClC[C@H]1CN[C@@H](c2ccc(Cl)cc2)O1	20268005	XJJPFRUMIOXIRJ-VHSXEESVSA-N	232.110	2.566	50	40	BFGB	
O=C(CCl)Cc1ccccc1Cl	32010144	DWZLJINQXPVEBQ-UHFFFAOYSA-N	203.068	2.690	50	40	BFGB	in-vitro
O=C(CCl)COc1ccccc1Cl	32013372	JEGYCOAJRZWQAO-UHFFFAOYSA-N	219.067	2.527	50	40	BFGB	
C[C@H](CBr)Oc1ccccc1F	41260167	HCRGUKRUWMWEAX-SSDOTTSWSA-N	233.080	2.988	50	40	BFGB	
Cc1cc(CBr)cc(Cl)n1	95630900	HPBVWUUEUKYYGE-UHFFFAOYSA-N	220.497	2.938	50	40	BFGB	in-vitro
CCOC(=O)N/N=C(\C)[C@H]1C[C@@H]2CC[C@@H]1C2	102123547	AHHMMDWWIPBZFE-OUMPDVGUSA-N	224.304	2.545	50	40	BFGB	
O=[N+]([O-])c1ccc(CCl)c(Cl)c1	33506754	OFZJESMXFWZEAW-UHFFFAOYSA-N	206.028	2.987	50	40	BFGB	in-vitro
N#C/C(=C\c1ccccc1Cl)C(=O)NC1CC1	23724030	HCVFZJSWMDHTKU-JXMROGBWSA-N	246.697	2.526	50	40	BFGB	
COC(=O)N/N=C1/CCCc2c(C)cc(C)cc21	33715122	FTVDISKLEFKHMT-SQFISAMPSA-N	246.310	2.700	50	40	BFGB	
F[C@@H](Br)Cc1ccccc1	91251918	OLKZFUUMHKYTJC-MRVPVSSYSA-N	203.054	2.920	50	40	BFGB	
CN(C)/C=C(/C#N)c1ccc(Cl)cc1	12341203	XWVICHJROMBTEV-NTMALXAHSA-N	206.676	2.766	50	40	BFGB	
CC(C)=NNC(=O)CSc1ccc(C)cc1	408786129	MRYLSHMZVQCTKI-UHFFFAOYSA-N	236.340	2.599	50	40	BFGB	
N#CCN1c2ccccc2CC[C@H]1Cl	1636991	DZCXKHSUCHTENQ-NSHDSACASA-N	206.676	2.528	50	40	BFGB	
CC1(C)[C@H](CBr)CC[C@@]1(C)C(=O)O	3845900	YQVIHPCUIKAVMS-XVKPBYJWSA-N	249.148	2.908	50	40	BFGB	biogenic
Fc1cccc(-n2ccc(CCl)n2)c1	39947531	ZUZKLQHXSMUHGP-UHFFFAOYSA-N	210.639	2.750	50	40	BFGB	in-vitro
O=[N+]([O-])c1cc(F)cc(CCl)c1F	95930278	QHOVWULBYUHNMP-UHFFFAOYSA-N	207.563	2.612	50	40	BFGB	
CCOC(=O)CS(F)(F)(F)(F)F	97949938	XOGPJHLQFLUFIH-UHFFFAOYSA-N	214.155	2.848	50	40	BFGB	
Oc1cc(CCl)c2cc(F)ccc2n1	526059841	UICNCCSRKAMWSN-UHFFFAOYSA-N	211.623	2.818	50	40	BFGB	
CC(C)(C)OC(=O)N/N=C/C=C/c1ccco1	13943354	FHHNIJSMSHDMKI-HDZFOZLDSA-N	236.271	2.803	50	40	BFGB	
O=C1C[C@H](CBr)c2ccccc21	34482729	IFJPEHDYVGGTQI-SSDOTTSWSA-N	225.085	2.752	50	40	BFGB	
O=C(CBr)c1ccc(Cl)cc1O	196004195	CDJICFQSPQUYKM-UHFFFAOYSA-N	249.491	2.623	50	40	BFGB	
C/C(=N\NC(=O)c1ccoc1C)C(C)(C)C	54722	BDSDAYJDNDPRGH-UKTHLTGXSA-N	222.288	2.740	50	40	BFGB	
COc1ccc(C(=O)CCCCl)cc1	1698892	NGBTWDPPZFGUAY-UHFFFAOYSA-N	212.676	2.897	50	40	BFGB	in-vitro
CC(=O)c1ccccc1OCCBr	3336069	BDCJLOGWIWITNO-UHFFFAOYSA-N	243.100	2.663	50	40	BFGB	
C/C(=N/NC(=O)c1ccc(Cl)cc1)C1CC1	4891267	BFAKLFYPRAVPAK-ZSOIEALJSA-N	236.702	2.856	50	40	BFGB	
N#Cc1cccc(CBr)c1F	88613705	WPLJIURLNNOZJL-UHFFFAOYSA-N	214.037	2.592	50	40	BFGB	in-vitro
Cl[C@@H]1Oc2ccccc2O[C@@H]1Cl	97949882	MKFKHXCVLVUARS-OCAPTIKFSA-N	205.040	2.588	50	40	BFGB	
N#C/C(=C/c1ccccc1)C(=O)NC1CCCC1	206186055	JMROSUKHZNPICB-RAXLEYEMSA-N	240.306	2.652	50	40	BFGB	
O=CC1=C(Cl)c2ccc(F)cc2CC1	1857790423	NLGBRZLXXSHALG-UHFFFAOYSA-N	210.635	2.921	50	40	BFGB	
C/C(=N/NC(=O)[C@H]1C[C@@H]1c1ccccc1)C1CC1	4348782	XXFCTZAFEIRUJB-IKPVCSFRSA-N	242.322	2.692	50	40	BFGB	
Cc1cc(C(=O)CBr)c(C)s1	34962694	KDTVMNGHHHHLSC-UHFFFAOYSA-N	233.130	2.943	50	40	BFGB	in-vitro
O=Cc1c(F)cccc1CBr	98210776	PLQPIHYTXILMFV-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	
O=C/C(Cl)=C/C(Cl)(Cl)Cl	5178358	SBJGGOPLEWSLBN-IWQZZHSRSA-N	207.871	2.678	50	40	BFGB	
C[C@]1(CCl)OC(=O)C=C(c2ccccc2)O1	84700	IBWAWEZJZZBWIA-GFCCVEGCSA-N	238.670	2.556	50	40	BFGB	
CCOC(=O)N(N=O)[C@@H](C)c1ccccc1	5575016	YLYAMKIPLZTQQW-VIFPVBQESA-N	222.244	2.888	50	40	BFGB	
CCCOC[C@@H](Br)C(F)(F)F	82863693	KEUBCDSTESNEHG-RXMQYKEDSA-N	235.043	2.739	50	40	BFGB	
O=C(CCl)OCC12CC3CC(CC(C3)C1)C2	13608943	WXJGPGRBQYZTKD-UHFFFAOYSA-N	242.746	2.985	50	40	BFGB	
COc1cccc(/C=C/C#N)c1OC(F)F	43559247	SVECNQGNNXOAAR-HWKANZROSA-N	225.194	2.833	50	40	BFGB	
Cc1cc(OCC(=O)N=C=S)ccc1Cl	70461500	VWRYVGABYDIAOB-UHFFFAOYSA-N	241.699	2.657	50	40	BFGB	
O=C(O)CCCC[C@H](Cl)CCCl	97978579	HSKAEXWPLIDFGC-ZETCQYMHSA-N	213.104	2.868	50	40	BFGB	in-vitro
C[C@@H]1C[C@H](OC(=O)CCl)CC(C)(C)C1	1696666	DRHNFPBZFRIGQN-BDAKNGLRSA-N	218.724	2.983	50	40	BFGB	
COc1cc(F)c(CCl)cc1OC	2524844	FKDJCJSSPNZLOR-UHFFFAOYSA-N	204.628	2.582	50	40	BFGB	
C/C(=N\NC(=O)Nc1ccccc1)c1ccco1	4567944	UBDFQLGHPWPVCP-XNTDXEJSSA-N	243.266	2.825	50	40	BFGB	
CN(CCBr)Cc1ccccc1	40990109	XTMXITMZHSOHEV-UHFFFAOYSA-N	228.133	2.513	50	40	BFGB	
COC(=O)[C@H](Cl)c1c(F)cccc1Cl	50977960	BJWMCFWGBZIOKB-MRVPVSSYSA-N	237.057	2.932	50	40	BFGB	
N#C[C@@H]1CCC[C@H](CBr)C1	1685147	VDLVKZNINMRGFK-JGVFFNPUSA-N	202.095	2.711	50	40	BFGB	
C[C@]1(CCc2ccccc2)OC[C@@H](CCl)O1	1686268	WYVLZWLTRHLJRK-OLZOCXBDSA-N	240.730	2.990	50	40	BFGB	
CC1=C(C=O)[C@@H]2[C@H](CO)[C@@]1(C)CC[C@@H]2C(C)C	5766558	JNDNSKMAFGPBFU-BEAPCOKYSA-N	236.355	2.812	50	40	BFGB	biogenic,in-vitro
O=C1O[C@@H](CCl)CN1c1ccc(Cl)cc1	38478232	WJFFNTWRAIJTPI-VIFPVBQESA-N	246.093	2.904	50	40	BFGB	
N#C/C=C(/Cl)c1cccc([N+](=O)[O-])c1	4801727	XMMPWCKVCAEKSD-RUDMXATFSA-N	208.604	2.698	50	40	BFGB	
N#C/C(=C\c1ccccc1Cl)C(N)=S	1561200	RARDDTIUBHMBEB-VMPITWQZSA-N	222.700	2.533	50	40	BFGB	
CC(=O)c1c(C)[nH]c(C(=O)[C@@H](C)Cl)c1C	4218194	CYIJIRJFNHMPPY-ZCFIWIBFSA-N	227.691	2.644	50	40	BFGB	in-vitro
C[C@H]1CC=C(C#N)O[C@H]1OCc1ccccc1	4267494	IPVCNKGPKGDABU-SMDDNHRTSA-N	229.279	2.993	50	40	BFGB	biogenic
COCCN1CC[C@H](Cl)[C@H]2CCCC[C@@H]21	4718138	JWQQYHIMQKCYSK-WOPDTQHZSA-N	231.767	2.505	50	40	BFGB	
CN(C)/C(=C\C=C(C#N)C#N)c1ccccc1	103631152	PIRCYNWKBVKBKV-ZROIWOOFSA-N	223.279	2.563	50	40	BFGB	
Cc1ccc2c(c1)C(C)(C)/C(=C\C=O)N2C	5015251	RHWGVXWMJFRPQK-NTUHNPAUSA-N	215.296	2.805	50	40	BFGB	
CC1=C/C(=N\NC(=O)Cc2ccc(F)cc2)CC1	8523324	HHPGVAUCZBKLCS-SSZFMOIBSA-N	246.285	2.581	50	40	BFGB	
N#CCc1ccc(OCCBr)cc1	19421593	RMZNJEAQMRRYFJ-UHFFFAOYSA-N	240.100	2.526	50	40	BFGB	
ClC[C@@H]1CC(Cc2ccccc2)=NO1	39186203	BJZSBJIFEGEUFY-NSHDSACASA-N	209.676	2.613	50	40	BFGB	
CC(C)=C1[C@@H]2CCC[C@@H]1CC/C2=N\NC(N)=O	102318430	JGBMGFOVJWYPHF-GZIPEPEFSA-N	235.331	2.557	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2	169619890	NUPFPBLLUREADH-HMNRFTFCSA-N	244.294	2.516	50	40	BFGB	
CCCn1c(C)cc(C(=O)CCl)c1C	3886782	KJLXGGVVFXBMOK-UHFFFAOYSA-N	213.708	2.936	50	40	BFGB	
CC(NCc1ccc(Cl)cc1)=C(C#N)C#N	5901473	WQPPOFJIPYBLFT-UHFFFAOYSA-N	231.686	2.751	50	40	BFGB	
FC1(F)CCN(CCCBr)CC1	405046223	FHZZCJPFGZKBGA-UHFFFAOYSA-N	242.107	2.503	50	40	BFGB	
BrCCSCCBr	5112873	YYWACUFAVLSCPF-UHFFFAOYSA-N	247.983	2.509	50	40	BFGB	
O=C(Cl)c1cc(-c2ccccc2)no1	12370767	HGXKTMWKFBNMMH-UHFFFAOYSA-N	207.616	2.721	50	40	BFGB	
C/C(=N/NC(=O)c1ccoc1C)c1cccs1	12372509	PUFYIHODCYGVGF-JYRVWZFOSA-N	248.307	2.804	50	40	BFGB	
O=C(CCl)Cc1ccc(Br)cc1	37066108	VOMWRXLBUSAIKU-UHFFFAOYSA-N	247.519	2.800	50	40	BFGB	in-vitro
CCCC/C(C)=N/NC(=O)c1ccc(OC)cc1	5308077	ZZHBMJSCWGPFLM-RVDMUPIBSA-N	248.326	2.991	50	40	BFGB	
ClC[C@@H]1CN[C@@H](c2ccc(Cl)cc2)O1	20268003	XJJPFRUMIOXIRJ-NXEZZACHSA-N	232.110	2.566	50	40	BFGB	
O=C(CCl)NCc1csc2ccccc12	162593	MKFOUPLFHIGWEW-UHFFFAOYSA-N	239.727	2.756	50	40	BFGB	
O=C(CCl)Nc1ccccc1-n1cccc1	2577797	JIBVKFIKRIADEP-UHFFFAOYSA-N	234.686	2.655	50	40	BFGB	
CCC[C@H](CCCBr)OC	85396193	BKAJZWRGISIWHN-MRVPVSSYSA-N	209.127	2.977	50	40	BFGB	
O=C(Cl)OCC(F)(F)[C@@H](F)C(F)(F)F	169795626	XFVROPNHPCBZCS-UWTATZPHSA-N	244.518	2.898	50	40	BFGB	
C[C@@H](Cl)[C@H](Sc1ccccc1)C(=O)O	2271208	QAMGZEOUHTYHOY-APPZFPTMSA-N	230.716	2.859	50	40	BFGB	
CC(C)=NNC(=O)C12CC3CC(CC(C3)C1)C2	4599209	SUJYFRKNRZKCMS-UHFFFAOYSA-N	234.343	2.715	50	40	BFGB	
Cc1ccccc1-c1nc(CCl)no1	21952216	IHFBPVISJMSYSI-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	in-vitro
CCCCCCCOC(=O)CSC#N	1576985	BWCWVGKCCAGSDK-UHFFFAOYSA-N	215.318	2.714	50	40	BFGB	
CC(=O)/C(=C/c1ccc([N+](=O)[O-])cc1)CCl	4293669	SFQKNNIXLZJDMO-UXBLZVDNSA-N	239.658	2.806	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)Cc1ccccc1	13950276	VILJUDAUKVJAFJ-ACCUITESSA-N	229.279	2.632	50	40	BFGB	
O=C(O)c1cc(CBr)ccc1Cl	70631981	ZHFJIITZHYWVAL-UHFFFAOYSA-N	249.491	2.933	50	40	BFGB	
COc1cc(F)cc(C(=O)[C@H](C)Cl)c1	238350812	FWMSMSGATCDMQJ-LURJTMIESA-N	216.639	2.644	50	40	BFGB	
O=C/C=C/c1coc2ccc(Cl)cc2c1=O	2271295	ZXUGYQTVPQWRHY-OWOJBTEDSA-N	234.638	2.659	50	40	BFGB	
COc1ccc(C(=O)[C@@H](C)Cl)cc1OC	19438658	LOANJYULKIBXSA-SSDOTTSWSA-N	228.675	2.514	50	40	BFGB	
O=C(CCl)c1ccc(Cl)c(F)c1	81953900	FRSBDALHVZFPHT-UHFFFAOYSA-N	207.031	2.901	50	40	BFGB	
N#C/C=C/C(C#N)=C/Nc1ccc(F)cc1	100417085	IPJYUXNSWAEIEI-XNFVDKGPSA-N	213.215	2.725	50	40	BFGB	
O=C1OC(=O)[C@@H]2[C@H]3CC[C@@H](C3=C3CCCCC3)[C@@H]12	104057149	LEEYHIQGDMSAHO-YRRQLQLVSA-N	246.306	2.603	50	40	BFGB	
CC1(C)[C@@H]2CC(=O)[C@]1(C)[C@@H](Br)C2	215939573	HZHUVUVILWOHBY-BYULHYEWSA-N	231.133	2.775	50	40	BFGB	
C/C(=N/NC(=O)[C@@H]1C[C@H]1c1ccccc1)C1CC1	975650	XXFCTZAFEIRUJB-IYFMVNHVSA-N	242.322	2.692	50	40	BFGB	
C/C=C1/C[C@@](C)(CC)C(C#N)(C#N)C(N)=C1C#N	31667529	RNEIFOKJVYECPL-JTMRULEUSA-N	240.310	2.523	50	40	BFGB	
O=C(CCl)N(Cc1ccc(F)cc1)C1CC1	32099967	IWHCCDSYAPFRID-UHFFFAOYSA-N	241.693	2.556	50	40	BFGB	
Fc1ccccc1-c1noc(CCCl)n1	54444171	DQCWAMDLZKRCLT-UHFFFAOYSA-N	226.638	2.657	50	40	BFGB	
CSc1ccc(/C(C)=N/NC(=O)C2CC2)cc1	58650173	CMWNFGOOSIAXMX-NTEUORMPSA-N	248.351	2.659	50	40	BFGB	
C[C@H](Cl)c1cc2c(cc1[N+](=O)[O-])OCO2	66322540	OMPQSHASYDBYHK-YFKPBYRVSA-N	229.619	2.623	50	40	BFGB	
ClC[C@@H](Cl)COC[C@H](Cl)CCl	72399464	DWUVEXODBSOVSX-PHDIDXHHSA-N	239.957	2.695	50	40	BFGB	in-vitro
C=C1CC[C@@](C)(CO)[C@]1(C)CBr	1448510	JVPCPWZJZTZEOW-VHSXEESVSA-N	233.149	2.736	50	40	BFGB	
CCCC[C@H](Br)C(=O)OC(C)C	1589671	VJVQVUOTLKQHCD-QMMMGPOBSA-N	237.137	2.892	50	40	BFGB	
ClCCCN1CCCC[C@@H]1CCl	1673809	DJDLKHMZWYZCFR-SECBINFHSA-N	210.148	2.709	50	40	BFGB	
CCCOc1ccc(/C=C(\C#N)C(=O)OC)cc1	3019746	SFBZFQKOLXHQTA-FMIVXFBMSA-N	245.278	2.555	50	40	BFGB	
N#C/C(=C(/O)CCCl)c1ccccn1	100917264	QKPMXVGSIATGDH-NTMALXAHSA-N	208.648	2.503	50	40	BFGB	
Cc1nn(-c2ccccc2)c(CCl)c1C#N	4207379	PVYUIBQPYWMJFH-UHFFFAOYSA-N	231.686	2.791	50	40	BFGB	in-vitro
C=C(C)C(=O)OCCCCCCCl	34479008	VYJSFGVWWBBFBE-UHFFFAOYSA-N	204.697	2.905	50	40	BFGB	
Cc1cc(C)c(C#N)c(SCCCl)n1	35672541	SKOMSNDEMLXGMN-UHFFFAOYSA-N	226.732	2.901	50	40	BFGB	
N#Cc1ccc(CBr)c(F)c1F	141917183	WCRCRGGHKVPEBO-UHFFFAOYSA-N	232.027	2.731	50	40	BFGB	
N#CC(C#N)=Cc1cccc(OC(F)F)c1	3184987	BOAANIAENWDUJT-UHFFFAOYSA-N	220.178	2.719	50	40	BFGB	
CO[C@H]1C[C@@H](C)[C@@H](Cl)[C@@H](C)[C@H]1/C=C/C(=O)O	5086204	GEMGNGRIAVCBBC-CFLZZKEGSA-N	246.734	2.542	50	40	BFGB	
COc1ccccc1C(=O)CCCCl	32012730	RQZYDAKGGBPTIY-UHFFFAOYSA-N	212.676	2.897	50	40	BFGB	
Cc1ccc(Br)cc1CN=C=O	39366545	UYWDHTPVUKMETD-UHFFFAOYSA-N	226.073	2.593	50	40	BFGB	
O=C(Cl)C(F)(F)c1ccc(F)cc1	107276887	YULZBZRGKUXEAN-UHFFFAOYSA-N	208.566	2.683	50	40	BFGB	
CC(C)(C)OC(=O)N/N=C1\CCc2ccccc21	6674815	HPVMUPUSRTZWJX-NTCAYCPXSA-N	246.310	2.862	50	40	BFGB	
CCOC(=O)N/N=C(/C)[C@@H]1C[C@@H]2CC[C@@H]1C2	102123546	AHHMMDWWIPBZFE-QYHSFIPCSA-N	224.304	2.545	50	40	BFGB	
COC(=O)c1ccc2c(SC#N)c[nH]c2c1	2541459	TYZZJZMCTSZWNN-UHFFFAOYSA-N	232.264	2.528	50	40	BFGB	
CCOC(=O)/C(C#N)=C\c1c[nH]c2ccccc12	4578913	XDRLIASMKGKPDX-YFHOEESVSA-N	240.262	2.638	50	40	BFGB	
C[C@H](CCl)N1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	6491769	BMGJFQMEEAEQAG-ZIQFBCGOSA-N	213.752	2.592	50	40	BFGB	
CO[C@H]1C[C@@H](C)[C@@H](Cl)[C@@H](C)[C@H]1/C=C\C(=O)O	12432979	GEMGNGRIAVCBBC-NQOAQMESSA-N	246.734	2.542	50	40	BFGB	
CC[C@H](c1ccccc1)N(C)C(=O)CCl	79418713	GPLKZQIHNJHODI-LLVKDONJSA-N	225.719	2.835	50	40	BFGB	
O=C1Oc2ccc(Cl)cc2[C@H]1Cl	196342960	HPQQFRZREAQBEY-SSDOTTSWSA-N	203.024	2.539	50	40	BFGB	
CC1(C)OC[C@@H](CCCCBr)O1	5415379	SDDRFUNEYCNQQQ-MRVPVSSYSA-N	237.137	2.703	50	40	BFGB	
CSc1ccc(CC(=O)Cl)cc1	34434870	HSXSJJWWKGGAKE-UHFFFAOYSA-N	200.690	2.716	50	40	BFGB	
CO[Si](CC[C@@H]1CC=CCC1)(OC)OC	195772879	LJNFZEBTNPLCMG-LLVKDONJSA-N	230.380	2.611	50	40	BFGB	
N#C/C(=C/c1ccco1)C(=O)NC1CCCCC1	1450979	VRCPRLLXWOZNPS-LUAWRHEFSA-N	244.294	2.635	50	40	BFGB	
CCCCOc1ccccc1C(=O)NN=C(C)C	5792949	KBWIIUSZGMFUSE-UHFFFAOYSA-N	248.326	2.991	50	40	BFGB	
Cc1ccc(NC(=O)N(CCCl)N=O)cc1	17417606	ASFTZROWZQVWMX-UHFFFAOYSA-N	241.678	2.749	50	40	BFGB	
COc1ccc(C(=O)[C@H](C)Cl)c(C)c1	71453345	SYBXJONJTFMANZ-QMMMGPOBSA-N	212.676	2.814	50	40	BFGB	
O=C(Cl)c1cc2cccc(O)c2cc1O	164105796	YMAYFWBWXHIZLJ-UHFFFAOYSA-N	222.627	2.630	50	40	BFGB	
O=S(=O)(c1ccccc1)[C@H]1CCC[C@@H]1Cl	1700460	XKJNXALIQQIRQB-QWRGUYRKSA-N	244.743	2.620	50	40	BFGB	
Cc1occc1C(=O)NN=C1CCC(C)CC1	5921643	NGXRTUJKECRZAA-UHFFFAOYSA-N	234.299	2.884	50	40	BFGB	
C[C@@H](Cl)C(=O)NCCC1=CCCCC1	6049214	XSAFRIIRMMGDLF-SECBINFHSA-N	215.724	2.620	50	40	BFGB	
O=C(CCl)Oc1cccc(C(F)(F)F)c1	70451387	CVUFRXKPDWIWPJ-UHFFFAOYSA-N	238.592	2.850	50	40	BFGB	
C[C@@H](Cl)Cc1cc2ccc(O)cc2oc1=O	3165345	NUNPQVFLXHOWIU-SSDOTTSWSA-N	238.670	2.668	50	40	BFGB	
Cn1cccc1/C=C(\C#N)c1nc2ccccc2[nH]1	12623696	NXLREHOYROHQEF-PKNBQFBNSA-N	248.289	2.966	50	40	BFGB	
O=C(O)C12CC3C[C@@H](C1)C(Cl)[C@@H](C3)C2	105618597	RDUFQEKZADHWJP-JSPMKAMFSA-N	214.692	2.505	50	40	BFGB	
CCN(C(=O)[C@@H](C)Cl)C1CCCCC1	6432340	ZUNDGFTVHZWUAH-SECBINFHSA-N	217.740	2.795	50	40	BFGB	
C=CCO[C@H]1Nc2ccc(C)cc2C=C1C=O	11615989	BLYKYROJFAFUDM-CQSZACIVSA-N	229.279	2.532	50	40	BFGB	
C=CC[C@@H](C)/C(C)=C(\C#N)C(=O)OCC	16930606	OLYFJUDDJLWVEK-HNLKAFMCSA-N	207.273	2.602	50	40	BFGB	
COc1ccc(CBr)c(OC)c1	34478298	WZCFNCRZGRZNRV-UHFFFAOYSA-N	231.089	2.599	50	40	BFGB	
C[Si](C)(C)CCOCn1nccc1CCl	201161916	CIGNDLFMLOQDJQ-UHFFFAOYSA-N	246.814	2.934	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@@]1(C=O)[C@H]2Br	242543492	KCGDKKBCRSTJFA-FXBDTBDDSA-N	231.133	2.775	50	40	BFGB	
N#C/C(=C\c1ccco1)C(=O)NC1CCCCC1	1450978	VRCPRLLXWOZNPS-PKNBQFBNSA-N	244.294	2.635	50	40	BFGB	
C[C@H](Cl)[C@@H](Sc1ccccc1)C(=O)O	2271209	QAMGZEOUHTYHOY-IONNQARKSA-N	230.716	2.859	50	40	BFGB	
CC(=O)[C@@H](Cc1ccc(F)cc1)SC#N	5936650	BEUABYCKQHSNNV-LLVKDONJSA-N	223.272	2.540	50	40	BFGB	
CCN(CC)CCC[C@@H](C)Br	6382004	URHCQKJTZNRAIZ-SECBINFHSA-N	222.170	2.892	50	40	BFGB	
O=C(NNc1ccccc1F)Nc1ccccc1	14196797	RRMSFDBUHFERNK-UHFFFAOYSA-N	245.257	2.974	50	40	BFGB	
COc1ccc(C(=O)[C@H](C)Cl)cc1F	35423806	GUHGVAYCSNVHDV-LURJTMIESA-N	216.639	2.644	50	40	BFGB	
CC(C)c1cc(SC#N)c(O)c(C(=O)O)c1	57339057	YUMVXIOXMWSCPW-UHFFFAOYSA-N	237.280	2.787	50	40	BFGB	
C[C@H](Br)C(=O)c1ccc(F)cc1F	7978602	GOLMFRUVGNQYAV-YFKPBYRVSA-N	249.054	2.931	50	40	BFGB	in-vitro
C[C@@H](Cc1ccc(F)cc1)C(=O)Cl	11977409	HJOAOPVBPDCOFZ-ZETCQYMHSA-N	200.640	2.770	50	40	BFGB	in-vitro
O=C(CCl)c1cc(Br)ccc1O	34153509	XYYGVTXWYOUPHQ-UHFFFAOYSA-N	249.491	2.576	50	40	BFGB	
O=C[C@H]1Cc2ccccc2CC[C@@H]1Cl	1857793599	XSMHCZASEXGJOR-NEPJUHHUSA-N	208.688	2.598	50	40	BFGB	
N#C[C@@H]1c2ccccc2C=CN1C(=O)CCCl	1766658	OVKNQLCXEQHYLH-GFCCVEGCSA-N	246.697	2.693	50	40	BFGB	
O=C(NN=C1CCCCCC1)c1ccncc1	5380409	GPPOWELDCJJAIZ-UHFFFAOYSA-N	231.299	2.522	50	40	BFGB	
COC(=O)/C(C#N)=C\C(C)=C\c1ccccc1	6015831	UVHVBHYQXAKTSM-YGOOLXEZSA-N	227.263	2.713	50	40	BFGB	
C/C(=C(/C#N)C(=O)NC1CC1)c1ccc(C)cc1	16972418	RCSDBHJOQCAVSY-SDNWHVSQSA-N	240.306	2.571	50	40	BFGB	
ClCc1noc(C2CCCCC2)n1	26516964	NIMUCISAHGYZIW-UHFFFAOYSA-N	200.669	2.856	50	40	BFGB	in-vitro
CCO[C@@H](C)c1nc(CCl)cs1	43519536	ZSFHOWIYRLZKQM-LURJTMIESA-N	205.710	2.979	50	40	BFGB	in-vitro
CC[C@H](Cl)C(=O)c1ccc2c(c1)OCO2	71423557	ZHVNGOCMDSZVSE-QMMMGPOBSA-N	226.659	2.615	50	40	BFGB	
CC[C@@H](Cl)C(=O)C#Cc1ccccc1	306297740	XOPVZFREPCKSIF-LLVKDONJSA-N	206.672	2.625	50	40	BFGB	
F[C@H](C(F)(F)F)C(F)(F)COCCCl	98210572	FIXMQBXJJXHCQE-BYPYZUCNSA-N	244.562	2.778	50	40	BFGB	
O=C(CCl)c1cnc2ccccc2c1	142802361	YCCXLINUDVPBHU-UHFFFAOYSA-N	205.644	2.656	50	40	BFGB	
CCOc1ccccc1-c1noc(CCl)n1	9458244	RIDZZEICDWGEAM-UHFFFAOYSA-N	238.674	2.874	50	40	BFGB	
Cc1cc(O)c2c(CCl)cc(=O)oc2c1	10272064	LOAXNQQBFLSZEK-UHFFFAOYSA-N	224.643	2.546	50	40	BFGB	biogenic
ClCc1cn2ccc(Cl)cc2n1	34476232	UCEJKAASHOWNTE-UHFFFAOYSA-N	201.056	2.727	50	40	BFGB	
Clc1cnn(CCCCBr)c1	38053429	YCMLLCRHFLBVDU-UHFFFAOYSA-N	237.528	2.712	50	40	BFGB	
CC(C)(C)C(=O)/C(C#N)=C\NCc1ccccc1	100944699	MCNLQGQPUAALOV-QBFSEMIESA-N	242.322	2.799	50	40	BFGB	
CN1CC[C@H]2CC[C@H](Br)C[C@@H]2C1	4280547	KSADAFLWJPUMQU-BBBLOLIVSA-N	232.165	2.502	50	40	BFGB	
CCCC1C(C#N)=C(C)NC(C)=C1C#N	19419677	ONGZUKATEGOGAI-UHFFFAOYSA-N	201.273	2.601	50	40	BFGB	
CCc1ccccc1NC(=O)[C@H](C)Cl	19517565	LEROANWUUHYKKV-QMMMGPOBSA-N	211.692	2.815	50	40	BFGB	in-vitro
O=[P@@]1(Cl)OCC[C@H]2CCCCN21	100374016	CCPKWBICDJDBAD-KRTXAFLBSA-N	209.613	2.608	50	40	BFGB	
CCCC(=O)OC(=O)c1ccc(F)c(C)c1	228916336	IVOHLJFLRORTLW-UHFFFAOYSA-N	224.231	2.618	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccccc1OC(F)F	8855845	BAUCHDUGBXXPHF-LURJTMIESA-N	249.644	2.854	50	40	BFGB	
CCc1cccc(CBr)n1	39100648	SROQIKSXGIUWIU-UHFFFAOYSA-N	200.079	2.539	50	40	BFGB	
COC(=O)[C@@H](Cl)[C@H](C)c1ccccc1	50978170	TVPXLYSPHBATPL-SCZZXKLOSA-N	212.676	2.571	50	40	BFGB	
CCOC(=O)N/N=C/c1ccc2ccccc2c1	225855	DJNHWJRCFOPKAK-XNTDXEJSSA-N	242.278	2.920	50	40	BFGB	
O=C(N/N=C/c1cccc2ccccc12)C1CC1	511021	WBCUJOYFTSTHAO-MHWRWJLKSA-N	238.290	2.700	50	40	BFGB	
CCO[P@@](=O)(CC)OCCBr	1737349	ZRJYDEYAZOWOGI-NSHDSACASA-N	245.053	2.647	50	40	BFGB	
C[C@H](Cl)C(=O)N1c2ccccc2CC[C@@H]1C	19429831	PTUVKKDISBBSLU-UWVGGRQHSA-N	237.730	2.982	50	40	BFGB	
COc1cccc(O[C@@H](C)CBr)c1	41291818	SWRWENBPURHIBM-QMMMGPOBSA-N	245.116	2.857	50	40	BFGB	
CC1(C)OB(/C=C/CBr)OC1(C)C	169824670	VMMCNBSXAISQSS-AATRIKPKSA-N	246.941	2.569	50	40	BFGB	
O=C(CCl)NCCCSc1ccccc1	7978514	LDTMFGJIMADLGY-UHFFFAOYSA-N	243.759	2.524	50	40	BFGB	
ClCc1n[nH]c(-c2ccc(Cl)cc2)n1	85385501	RYZHGEZWUMHELK-UHFFFAOYSA-N	228.082	2.864	50	40	BFGB	
CCCC[Si](OCC)(OCC)OCC	195784608	XGZGKDQVCBHSGI-UHFFFAOYSA-N	220.385	2.835	50	40	BFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)c1ccc(F)cc1	6332117	SGLWKWOLBKMRQQ-KTIPYJLNSA-N	244.269	2.508	50	40	BFGB	
Fc1ccc(OCCBr)c(F)c1	19421075	WMMOULJNNFMNKB-UHFFFAOYSA-N	237.043	2.739	50	40	BFGB	
O=C(CCl)N1CCC[C@@H]1c1ccsc1	37654195	NLMJBFLSTICGSA-SECBINFHSA-N	229.732	2.650	50	40	BFGB	in-vitro
C[C@H](CBr)Oc1ccccc1	41228002	DKSBHBVHZCRXGQ-MRVPVSSYSA-N	215.090	2.849	50	40	BFGB	in-vitro
C[C@H](Br)c1cncc(F)c1	96511415	NJZQUKYXRRBOKA-YFKPBYRVSA-N	204.042	2.677	50	40	BFGB	
CCCCCC/C=N/NC(=O)c1cccnc1	97965887	CIWCIBSARVNJNH-XNTDXEJSSA-N	233.315	2.768	50	40	BFGB	
FC(Cl)(Cl)CCBr	2572165	KXTZKWXVQJZKQA-UHFFFAOYSA-N	209.873	2.872	50	40	BFGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccccc2)C1	5162929	QAYJBOJJNDSLEG-VJSMGTLGSA-N	230.311	2.983	50	40	BFGB	
COc1ccc(Br)cc1/C=C/C#N	6170585	PYLFCXRJBSRSSG-NSCUHMNNSA-N	238.084	2.994	50	40	BFGB	
CC[C@H]1C(=O)Nc2ccc(C(=O)CCl)cc21	104449386	IMPWFHMFSXEEDX-MRVPVSSYSA-N	237.686	2.554	50	40	BFGB	
COC(=O)C(C#N)=C1CCCCCCC1	16189586	NPLDLXASGOXDPF-UHFFFAOYSA-N	207.273	2.724	50	40	BFGB	
Cl[C@@H]1CCN2CCc3ccccc3[C@H]2C1	95933029	ZVAFQGZUKSEIBX-DGCLKSJQSA-N	221.731	2.987	50	40	BFGB	
C[C@]12CC[C@H]([C@H]1C(=O)O)[C@@]2(C)CBr	218262352	VWSHQTXKIQEEDT-GOZTYBTRSA-N	247.132	2.518	50	40	BFGB	
CCCCC(=O)N/N=C/c1ccccc1OCC	1702879	QQNRGTHEPQYJIP-RVDMUPIBSA-N	248.326	2.726	50	40	BFGB	
CC(=O)Nc1ccc(OCCCCl)cc1	2162160	XIULNVXCBVMTDH-UHFFFAOYSA-N	227.691	2.653	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@H](C)CCc1ccccc1	2649927	HMNUMSKIRHYVOD-MNOVXSKESA-N	239.746	2.751	50	40	BFGB	
CC(C)C(=NNC(=O)c1ccccc1O)C(C)C	4503681	SKMVENDQHIMWDJ-UHFFFAOYSA-N	248.326	2.790	50	40	BFGB	
CCOC(=O)Oc1ccc(C(=O)Cl)cc1	39405302	ZEKLCHCUARAYTN-UHFFFAOYSA-N	228.631	2.601	50	40	BFGB	in-vitro
CC(C)n1ncc2c1CC[C@H](Br)C2	575424826	OGIQQZGDELPFFM-VIFPVBQESA-N	243.148	2.716	50	40	BFGB	
CN(Cc1ccc(Cl)s1)C(=O)CCl	3348993	XTMBJEKDTRNUDZ-UHFFFAOYSA-N	238.139	2.599	50	40	BFGB	
COC(=O)c1ccc([C@@H]2C[C@@H]2Cl)cc1	33414719	CLVKCKHVLAARKJ-UWVGGRQHSA-N	210.660	2.568	50	40	BFGB	
O=C(CCl)N1CCCC2(CCCCC2)C1	509307	CDKMASVCFZJJDZ-UHFFFAOYSA-N	229.751	2.798	50	40	BFGB	
CC[C@H](Br)[C@H](C)Br	1679997	LWBRXRHBXMVUEX-WHFBIAKZSA-N	229.943	2.943	50	40	BFGB	in-vitro
CCCCC[C@]1(C)OC(=O)C[C@H]1Cl	4804544	SAOIVSYYVCZVDJ-SCZZXKLOSA-N	204.697	2.880	50	40	BFGB	
Cc1nn(-c2ccccc2)c(C)c1C(=O)Cl	5177814	ZXGKKAOCGAUUPH-UHFFFAOYSA-N	234.686	2.868	50	40	BFGB	
CC(C)N(Cc1ccccc1F)C(=O)CCl	32101423	CEYXEPHVRDBORM-UHFFFAOYSA-N	243.709	2.802	50	40	BFGB	
CCc1cccc(CC)c1N(N=O)C(C)=O	4962195	OVSHBGFCDPFZAS-UHFFFAOYSA-N	220.272	2.846	50	40	BFGB	
CC[C@@H]1Cc2cccc(C(=O)Cl)c2O1	521825118	YDARVMDDRHKDAN-MRVPVSSYSA-N	210.660	2.779	50	40	BFGB	
C[C@H](Oc1ccc(Cl)cc1)C(=O)Cl	33433461	OTNNCYBJOMYVRC-LURJTMIESA-N	219.067	2.873	50	40	BFGB	
COc1ccc([C@@H](Cl)C#N)cc1OC	34349651	AFSNCSXRLHCEKN-QMMMGPOBSA-N	211.648	2.507	50	40	BFGB	
CC(C)=C1[C@@H]2CCC[C@]1(C)CC/C2=N\NC(N)=O	102318401	QLKTZKLGLHYCTD-ZDKPZZDOSA-N	249.358	2.947	50	40	BFGB	
COc1ccc(/C=C/C=C(C#N)C#N)cc1	2581796	ASQQJHPXTIBFRU-NSCUHMNNSA-N	210.236	2.682	50	40	BFGB	
CSc1ccc(/C=N\NC(=O)C(C)C)cc1	83291494	NCJZJGFIXXBLON-JYRVWZFOSA-N	236.340	2.515	50	40	BFGB	
CN(N)[P@@](=O)(Cl)C(Cl)(Cl)Cl	104234236	VWYZJOIYBAOWND-JTQLQIEISA-N	245.861	2.552	50	40	BFGB	
N#C/C(=C\c1cccnc1)C(=O)c1ccccc1	4561345	XQVLGKFQGZQIKL-NTEUORMPSA-N	234.258	2.871	50	40	BFGB	
CCCCC/C=N/NC(=O)Cc1ccccc1	5297303	RWMLZLLQEFAYQL-RVDMUPIBSA-N	232.327	2.911	50	40	BFGB	
COc1cc(C=C(C#N)C#N)ccc1OC(C)C	3570203	JKOYEAKEMYJRSL-UHFFFAOYSA-N	242.278	2.913	50	40	BFGB	
CCCCC1(CCBr)OCCO1	2570170	FGPDCMGXOXDLDA-UHFFFAOYSA-N	237.137	2.705	50	40	BFGB	
Cc1cc(C)c2c(c1)CC(C)(C)C(=O)OC2=O	70669863	SYSRZXPYXBNSJG-UHFFFAOYSA-N	232.279	2.569	50	40	BFGB	biogenic
CCOC(=O)N/N=C(\C)c1ccc(CC)s1	4156393	UMPCEIHYKVLGDH-XYOKQWHBSA-N	240.328	2.781	50	40	BFGB	
Cc1cc(C(=O)N/N=C2\C[C@H]3CC[C@H]2C3)cs1	106315473	JOZQPCNFHUMXHF-YQUZWJGVSA-N	248.351	2.962	50	40	BFGB	
Cc1ccc(Br)nc1C(=O)Cl	2362775099	BTRLINSXHCMDBO-UHFFFAOYSA-N	234.480	2.532	50	40	BFGB	
CC1(C)[C@@H](OC(=O)CCl)[C@@]2(C)CC[C@@H]1C2	4727134	RVNRDQPWNHCQRY-UISBYWKRSA-N	230.735	2.983	50	40	BFGB	
O=C=Nc1ccc(F)cc1Br	19426872	POVYZTLPZBUFBB-UHFFFAOYSA-N	216.009	2.556	50	40	BFGB	
Cc1ccc(F)cc1-c1nnc(CCl)o1	62664753	AAQXIPKHWNFOKS-UHFFFAOYSA-N	226.638	2.923	50	40	BFGB	
Cc1cc(F)cc(C#CCBr)c1	95632258	GVFTWTRCVRPFAG-UHFFFAOYSA-N	227.076	2.881	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(C(=O)OC)cc1	309370851	SAVKAOCRWZOGIX-JTQLQIEISA-N	240.686	2.673	50	40	BFGB	
CCCCCCC(=O)OCCBr	1848534	BMUWVWPZSFOUDH-UHFFFAOYSA-N	237.137	2.895	50	40	BFGB	
Cc1ccn(-c2ccc(CCl)cc2)n1	52884670	LOPFWVAUDUDBII-UHFFFAOYSA-N	206.676	2.920	50	40	BFGB	in-vitro
O=C(O)CCCC[C@@H](Cl)CCCl	97978580	HSKAEXWPLIDFGC-SSDOTTSWSA-N	213.104	2.868	50	40	BFGB	in-vitro
COc1ccc(OC)c(CBr)c1	4207380	CZDKYDOSKNCXSM-UHFFFAOYSA-N	231.089	2.599	50	40	BFGB	in-vitro
CC1=C[C@@]23CCCC[C@@]2(C=C1C)C(=O)OC3=O	103935971	BDAXQJBYSKZQLN-ZIAGYGMSSA-N	232.279	2.523	50	40	BFGB	
Clc1cnc2c(n1)CCC[C@@H]2Cl	1536219804	FRFYGQBIVVBERF-YFKPBYRVSA-N	203.072	2.746	50	40	BFGB	
CCCCC(=O)OCCSCCCl	1665019	NCAHGJKDQCACLY-UHFFFAOYSA-N	224.753	2.692	50	40	BFGB	
C=CCOc1ccc(C=C(C#N)C#N)cc1	4388976	FUTDWDUQJMARBI-UHFFFAOYSA-N	210.236	2.682	50	40	BFGB	
CCOC(=O)/C(C#N)=C\C=C\c1ccccc1	4579101	LXDIOTPAZODMST-AWTKBBGNSA-N	227.263	2.713	50	40	BFGB	
O=C1Nc2ccccc2S[C@H]1CCCl	34154650	JRTCHDGEKDQOBP-VIFPVBQESA-N	227.716	2.728	50	40	BFGB	
C[C@H]1CCc2cc(F)ccc2N1C(=O)CCl	555747	IBNJYMSLQFJRQV-QMMMGPOBSA-N	241.693	2.732	50	40	BFGB	
CCC(=O)NNc1nc2c(C)c(C)ccc2s1	4121435	DQNRVEZJSBSRLK-UHFFFAOYSA-N	249.339	2.766	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(C)[C@H](OC(=O)CCl)C2	6394823	VSQKDAUZKNYBHR-YGOYTEALSA-N	230.735	2.983	50	40	BFGB	
COCCN1CC[C@H](Cl)[C@@H]2CCCC[C@@H]21	14944018	JWQQYHIMQKCYSK-SRVKXCTJSA-N	231.767	2.505	50	40	BFGB	
Cc1c(F)cccc1NC(=O)[C@H](C)Cl	43321469	RSOVJDFDXRPWLS-ZETCQYMHSA-N	215.655	2.700	50	40	BFGB	
CCC[C@H](Br)CBr	2016739	CITMYAPULDSOHG-YFKPBYRVSA-N	229.943	2.945	50	40	BFGB	
NC(=O)N/N=C1\CCCCC12CCCCC2	18125877	VCZAXHJSCYLECN-GXDHUFHOSA-N	223.320	2.535	50	40	BFGB	
COc1cc(C)ccc1CBr	97437909	RAKBJOQOOVBPHW-UHFFFAOYSA-N	215.090	2.899	50	40	BFGB	
CC(C)NCCCCCBr	1641749	AQHZHQQPDYXHSV-UHFFFAOYSA-N	208.143	2.550	50	40	BFGB	
Cc1cc(C)c(NC(=O)NCCCl)c(C)c1	1674627	HEVQKTSFRAXZIU-UHFFFAOYSA-N	240.734	2.972	50	40	BFGB	
COc1cc(C)ccc1OCCBr	19421291	UBHNURJSDQEGMJ-UHFFFAOYSA-N	245.116	2.777	50	40	BFGB	
CCOC(=O)NN=Cc1c(C)[nH]c2ccccc12	254288942	CDUOVHDUHPJNPD-UHFFFAOYSA-N	245.282	2.556	50	40	BFGB	
O=C(CCl)Nc1nc2ccc(F)cc2s1	3379412	UTPHNOJSADNBNJ-UHFFFAOYSA-N	244.678	2.613	50	40	BFGB	
CC1=CC(=O)C=C[C@@]1(C)C(Cl)Cl	4889368	UVJDEXDQIXWVCK-SECBINFHSA-N	205.084	2.882	50	40	BFGB	biogenic
Cc1ccc(C(=O)NN=C2CCCC2)cc1C	369986	JHLDSIQOYMVTMK-UHFFFAOYSA-N	230.311	2.963	50	40	BFGB	
Cc1sc(NC(=O)[C@H](C)Cl)c(C#N)c1C	12016197	GXBWILVUQODNPZ-LURJTMIESA-N	242.731	2.802	50	40	BFGB	
O=[N+]([O-])c1ccc(OCCCCl)cc1	22222350	IJKNDFJBFPOWSN-UHFFFAOYSA-N	215.636	2.603	50	40	BFGB	
Cl[C@H]1[C@H]2CC[C@H]1N(Cc1ccccc1)C2	255982879	KFHNXKUXFXKYJB-XQQFMLRXSA-N	221.731	2.888	50	40	BFGB	
COC(=O)/C(C#N)=C/c1cccc2ccccc12	96055	SKXSARWCVFRQRV-UKTHLTGXSA-N	237.258	2.920	50	40	BFGB	
Cc1ncc(CCl)c2c1OC(C)(C)OC2	329941	NVXXLSOPXRVGII-UHFFFAOYSA-N	227.691	2.774	50	40	BFGB	biogenic
CCC(=O)SCCSCCCl	1646449	KSZOJDNCPSYTRO-UHFFFAOYSA-N	212.767	2.628	50	40	BFGB	
O=C(CCl)Nc1ccc(O)c2ccccc12	1714506	DEJFTSYOXKEIDK-UHFFFAOYSA-N	235.670	2.723	50	40	BFGB	
ClC[C@@H]1[C@@H](CCl)C1(Cl)Cl	159493	XOTCLDWXPXVFHO-QWWZWVQMSA-N	207.915	2.884	50	40	BFGB	
CC1(C)[C@H]2CC[C@]1(CBr)C(=O)C2	1716025	NWKJJEBSNWZSOD-XVKPBYJWSA-N	231.133	2.777	50	40	BFGB	
CC(C)(O)/C(=C/C#N)Sc1ccccc1	5379357	QJTKOBQQDMIVSV-FLIBITNWSA-N	219.309	2.957	50	40	BFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2)C1CCCCC1	5382483	OKUXOAZKYHVMTC-YEPVGHTOSA-N	246.354	2.881	50	40	BFGB	
O=C(CCCCl)NC[C@H]1C[C@@H]2CC[C@H]1C2	33673450	VGRXRLYBJGLETD-OUAUKWLOSA-N	229.751	2.558	50	40	BFGB	
C[C@@]12CC[C@@H](COC1)[C@@]2(C)CBr	4227981	BHVJSNVANTXHSG-IVZWLZJFSA-N	233.149	2.834	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@H](C)[C@@H]1C[C@H]2CC[C@H]1C2	100889528	ZWRHZCDJUHUGET-SSRBZLIGSA-N	229.751	2.555	50	40	BFGB	in-vitro
CC(C)(CCl)C(=O)c1ccc2c(c1)OCO2	382710476	XWXWWIOSDIFUQR-UHFFFAOYSA-N	240.686	2.863	50	40	BFGB	
N#CC(C#N)=Cc1ccccc1OC(F)F	7154996	JDPJTOJVJMHDAI-UHFFFAOYSA-N	220.178	2.719	50	40	BFGB	
CCCCC[C@@H](C)NC(=O)C(Cl)Cl	5464334	QRAPJQROROZIKG-SSDOTTSWSA-N	226.147	2.875	50	40	BFGB	
O=C(Cl)[C@@H](Cl)c1ccc(F)cc1	19772547	JVXVEVGYSVNGNT-ZETCQYMHSA-N	207.031	2.871	50	40	BFGB	
Cc1cccc(Cn2cncc2CCl)c1	59980098	LYHZDMVLSWLPIO-UHFFFAOYSA-N	220.703	2.979	50	40	BFGB	
Br[C@@H]1CC=CC[C@H]1Br	100182479	AAJZFOGMZOTJFE-PHDIDXHHSA-N	239.938	2.863	50	40	BFGB	
CC(C)(C)[Si](C)(C)OCCCC#CCO	195492316	OJYMJJDYXKQEIG-UHFFFAOYSA-N	228.408	2.784	50	40	BFGB	
CCC[C@@H]1O[C@@H](CCl)OC[C@@H]1CC	4410847	OQXUFCOWGBRGRD-GUBZILKMSA-N	206.713	2.793	50	40	BFGB	
CN(C)c1ccc(/C=C/C=C(C#N)C#N)cc1	34303183	YKNFSOWDSRRDTC-ONEGZZNKSA-N	223.279	2.739	50	40	BFGB	
CCOc1ccc(F)cc1C(=O)Cl	83183352	DUPJOKHHZCRWLN-UHFFFAOYSA-N	202.612	2.603	50	40	BFGB	
COc1cc(CCl)cc(C(F)(F)F)n1	95762002	KHESAUXZVXKAPJ-UHFFFAOYSA-N	225.597	2.848	50	40	BFGB	
F[C@H](C(F)(F)F)C(F)(F)OCCCl	2530816	KPNVUOKUALXDDR-GSVOUGTGSA-N	230.535	2.735	50	40	BFGB	
C/C(=N\NC(=O)c1cccs1)C(C)(C)C	4603990	XFALGXARRCCXER-XYOKQWHBSA-N	224.329	2.900	50	40	BFGB	
N#C/C(=C/c1ccco1)C(=O)Nc1ccccc1	4723609	ZUSSPVVDJJZZMR-LUAWRHEFSA-N	238.246	2.825	50	40	BFGB	
O=C(Cl)c1csc(C(F)(F)F)n1	40433921	SGABJULEEUQBHN-UHFFFAOYSA-N	215.583	2.541	50	40	BFGB	in-vitro
CCOC(=O)/C(C#N)=C\Nc1ccccc1CC	100205475	OHYSSIQGPCWCII-BENRWUELSA-N	244.294	2.631	50	40	BFGB	
CC[C@H](C)OC(=O)OC(=O)O[C@@H](C)CC	135887542	PRUGMAWKMXYGFZ-YUMQZZPRSA-N	218.249	2.873	50	40	BFGB	
O=C(CSc1ccccc1)NCCCCl	2727950	HFXVJEXUTPFSBE-UHFFFAOYSA-N	243.759	2.524	50	40	BFGB	
CCOc1ccccc1NC(=O)NN=C(C)C	5467204	HHWPWWZJTLSLAC-UHFFFAOYSA-N	235.287	2.603	50	40	BFGB	
Cc1ccn2cc(CBr)nc2c1	36243532	RLRCSYAEOIPVLF-UHFFFAOYSA-N	225.089	2.538	50	40	BFGB	
C[C@@]12CC[C@@H](C[C@@H]1O)[C@]2(C)CBr	136678426	IZTHFLJIDXSODK-QEYWKRMJSA-N	233.149	2.569	50	40	BFGB	
Cc1cc(/C=C(\C#N)C(N)=S)c(C)n1C1CC1	3457884	LENHGIHKBILDFN-IZZDOVSWSA-N	245.351	2.633	50	40	BFGB	
O=C(CCCCl)Nc1ccccc1F	5679660	HCYJKDRHUNRSGU-UHFFFAOYSA-N	215.655	2.783	50	40	BFGB	
COc1ccc2ncc(CCl)cc2c1	34435757	UZOYRUKAQZWDQH-UHFFFAOYSA-N	207.660	2.982	50	40	BFGB	
N#CC1=CCN(C(=O)Nc2cccc(F)c2)CC1	95452922	SBEAXIQZRCKVLL-UHFFFAOYSA-N	245.257	2.513	50	40	BFGB	
BrCc1ccc2ocnc2c1	96032351	FEOZMESZBOHMNO-UHFFFAOYSA-N	212.046	2.723	50	40	BFGB	in-vitro
CC[C@H](Cl)C(=O)c1ccccc1C(=O)OC	309277724	FTVXSIFVPRPKPZ-JTQLQIEISA-N	240.686	2.673	50	40	BFGB	
CC1=C/C(=N\NC(=O)c2ccc(C)s2)CC1	63425774	QVHROYCHOSGZJO-RAXLEYEMSA-N	234.324	2.882	50	40	BFGB	
CC(C)(O)c1ccc(CBr)cc1	117015869	KTJFXASHSMFIEZ-UHFFFAOYSA-N	229.117	2.809	50	40	BFGB	
Cc1ccc(C(=O)N/N=C/c2ccoc2)cc1C	15933936	JQYLHQXGXNBYDC-OVCLIPMQSA-N	242.278	2.660	50	40	BFGB	
COc1ccc(C(=O)[C@@H](C)Cl)cc1C	32012727	ZICCSFJFDIKPGO-MRVPVSSYSA-N	212.676	2.814	50	40	BFGB	
ClCCn1nccc1-c1cccs1	96527653	OZXNDEQZRVCIIN-UHFFFAOYSA-N	212.705	2.850	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc(F)c(C#N)c1	308799951	KBZDSKDIDHQYPE-SECBINFHSA-N	225.650	2.897	50	40	BFGB	
CC(C)=CCCC1=CC[C@H]2C(=O)OC(=O)[C@H]2C1	43284693	USHLVOCVVSTOQO-NEPJUHHUSA-N	234.295	2.769	50	40	BFGB	
COc1ccc(N(C)CCCCl)cc1OC	26892427	GEWPWTKEPPNUJQ-UHFFFAOYSA-N	243.734	2.769	50	40	BFGB	
N#C/C(=C/c1ccsc1)C(=O)NC1CCCC1	58536728	FXQQNDWRNWLCEN-XFFZJAGNSA-N	246.335	2.714	50	40	BFGB	
Cc1ccc(Br)cc1N=C=O	62822048	VWNWDXOGBBIMGJ-UHFFFAOYSA-N	212.046	2.725	50	40	BFGB	in-vitro
N#Cc1cccc(N(CCCl)CCCl)c1	100045732	BJHSIFWFTJDBDC-UHFFFAOYSA-N	243.137	2.842	50	40	BFGB	
COC(=O)c1ccc(C(=O)[C@@H](C)Cl)c(C)c1	309212349	HUWGSPMFHUJYEP-MRVPVSSYSA-N	240.686	2.592	50	40	BFGB	
CC(=O)Nc1ccc(C(=O)CCl)c(Cl)c1	1563985	QMLKITXBXXOLDQ-UHFFFAOYSA-N	246.093	2.720	50	40	BFGB	
COc1ccc(OC(=S)Cl)cc1	2576003	PIAWCPAIZSGTRF-UHFFFAOYSA-N	202.662	2.598	50	40	BFGB	in-vitro
BrCCCCCN1CCCC1	70050436	XAORFEFAURSZJN-UHFFFAOYSA-N	220.154	2.647	50	40	BFGB	
O=C1O[P@](=O)(Cl)Oc2ccccc21	72399369	UVJIYKJXYWOZRA-ZDUSSCGKSA-N	218.532	2.583	50	40	BFGB	in-vitro
Br[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12	100182747	CKJQKEYRULLGMO-GRDBIXFFSA-N	213.118	2.982	50	40	BFGB	
N#CC1=C(N)Oc2ccccc2[C@H]1c1ccccc1	7516544	YNHWYIXMVLBILD-OAHLLOKOSA-N	248.285	2.905	50	40	BFGB	
Cc1ccc(C)c([S@](=O)CCCl)c1	32628308	ZFZKJTCSVOTPIF-ZDUSSCGKSA-N	216.733	2.650	50	40	BFGB	
O=C(N/N=C/c1cccs1)[C@H]1C[C@H]2CC[C@@H]1C2	4322462	DJWDETGXNBGOHX-XUKPQNFMSA-N	248.351	2.634	50	40	BFGB	
CC[C@@H]1CCC/C1=N\NC(=O)c1ccoc1C	4545215	SGDZHPNINDUOBF-NOHQBZTLSA-N	234.299	2.884	50	40	BFGB	
O=C(N/N=C/[C@@H]1C[C@@H]2C=C[C@@H]1C2)C1CCCCC1	225679935	OKUXOAZKYHVMTC-UTUJEUERSA-N	246.354	2.881	50	40	BFGB	
ClCc1cn2ccc(Br)cc2n1	38538058	TVUSHKLKIHWGLW-UHFFFAOYSA-N	245.507	2.836	50	40	BFGB	
COc1cc(CCBr)cc(OC)c1	39246823	UAEVVYMBABKZOM-UHFFFAOYSA-N	245.116	2.641	50	40	BFGB	
CC(C)=C1[C@H]2CCC[C@]1(C)CC/C2=N\NC(N)=O	43761553	QLKTZKLGLHYCTD-QDGQMDAKSA-N	249.358	2.947	50	40	BFGB	
Cc1cc(Br)cnc1C(=O)Cl	90411247	GYRYAHIYDINTAL-UHFFFAOYSA-N	234.480	2.532	50	40	BFGB	in-vitro
CC(C)CN(C(=O)CCl)c1ccc(O)cc1	199756370	CFISZUSPEBOFBJ-UHFFFAOYSA-N	241.718	2.620	50	40	BFGB	
O=C(N/N=C/c1ccc(F)cc1)c1cccs1	228065	HGIYTUZNICVQDX-RIYZIHGNSA-N	248.282	2.651	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1ccc(F)cc1F	5722804	MMUOMZVFPKYTKB-RXMQYKEDSA-N	219.618	2.531	50	40	BFGB	in-vitro
C/C(CC12CC3CC(CC(C3)C1)C2)=N\NC(N)=O	5860399	FOJQSEQZHLCHKS-CXUHLZMHSA-N	249.358	2.637	50	40	BFGB	
O=C(N/N=C\c1cccs1)c1cccs1	13115326	BFQKAYQRWCAVAT-XFFZJAGNSA-N	236.321	2.574	50	40	BFGB	
COc1cc(Cl)cc(C(=O)Cl)c1OC	57339943	YEFJUWGARHVAKJ-UHFFFAOYSA-N	235.066	2.736	50	40	BFGB	
C[C@H](NC(=O)[C@@H](C)Cl)[C@@H]1C[C@@H]2CC[C@@H]1C2	100091980	ZWRHZCDJUHUGET-QGKZMRNZSA-N	229.751	2.555	50	40	BFGB	
Cc1cc(C(=O)N/N=C2/C[C@H]3CC[C@H]2C3)cs1	103656825	JOZQPCNFHUMXHF-RBMWLBOVSA-N	248.351	2.962	50	40	BFGB	
Cc1ccccc1[C@@H]1C=CC(C#N)=CN1C	1719771	MEODBDXANHGBQC-AWEZNQCLSA-N	210.280	2.945	50	40	BFGB	
CCCC/C(CC)=C(/C#N)C(=O)OCC	17429038	CLACXXVIHNIEJQ-KHPPLWFESA-N	209.289	2.970	50	40	BFGB	
CC(=O)Nc1ccc([C@H]2CCC=C(C#N)O2)cc1	4267785	JETVJGBRPVAXAH-CQSZACIVSA-N	242.278	2.904	50	40	BFGB	biogenic
COc1ccccc1O[C@@H](C)CBr	41291812	MPFBAXRGDBVKGH-QMMMGPOBSA-N	245.116	2.857	50	40	BFGB	
ClC[C@H](Cl)COC[C@@H](Cl)CCl	72399466	DWUVEXODBSOVSX-WDSKDSINSA-N	239.957	2.695	50	40	BFGB	in-vitro
CCCN(C(=O)CCl)c1ccc(OC)cc1	199756674	YOLGYRYGOJSPIX-UHFFFAOYSA-N	241.718	2.677	50	40	BFGB	
C[C@]12CC[C@@H]([C@H]1C(=O)O)[C@@]2(C)CBr	218262472	VWSHQTXKIQEEDT-ZRUAGYDASA-N	247.132	2.518	50	40	BFGB	
C[C@]12CCCC[C@@H]1[C@H]2C(=O)N/N=C/c1ccco1	408720608	ADNITPNBNNDMQB-ZKQUEBDGSA-N	246.310	2.556	50	40	BFGB	
IC[C@H]1C[C@@H]2CC[C@@H]1C2	100254845	CVFNHQHHCQFJDT-BWZBUEFSSA-N	236.096	2.858	50	40	BFGB	
N#CSc1ccc(NC(=O)C(F)(F)F)cc1	359579	GPZGTQUMYPJYGL-UHFFFAOYSA-N	246.213	2.761	50	40	BFGB	
Cc1cc(C(=O)CCl)c(C)n1-c1ccon1	4204339	AMUMCOAHTVMOAC-UHFFFAOYSA-N	238.674	2.504	50	40	BFGB	
C=C(C)[C@@H]1CC=C(C)/C(=N/NC(=O)OC)C1	4187923	IHGMFIXFDKLJGI-IMTQZCPYSA-N	222.288	2.631	50	40	BFGB	
O=C(CCl)N1CCCCc2ccccc21	88267881	UUDUQYBWUFWQMQ-UHFFFAOYSA-N	223.703	2.595	50	40	BFGB	
C[C@@H](Cl)C(=O)c1cc(F)cc(F)c1	238425566	WESHZTGYYKQBAF-RXMQYKEDSA-N	204.603	2.775	50	40	BFGB	
CCN/C(=C/C#N)c1ccc(Cl)cc1	12576269	ROLPWUVGLLOROI-YRNVUSSQSA-N	206.676	2.814	50	40	BFGB	
COc1ccc(C(=O)[C@@H](C)Cl)c(C)c1	71453344	SYBXJONJTFMANZ-MRVPVSSYSA-N	212.676	2.814	50	40	BFGB	
COc1ccc(OC)c(C(=O)CCCl)c1	2581931	OXEWSWMETKFBGX-UHFFFAOYSA-N	228.675	2.515	50	40	BFGB	
Cc1csc(/C(C#N)=C/c2cc(C)n(C)n2)n1	6922241	IEADEQKGHJIVLK-BJMVGYQFSA-N	244.323	2.558	50	40	BFGB	
Cc1nc2ccccc2n1CCBr	19421301	VCPOOQOJBVTOGU-UHFFFAOYSA-N	239.116	2.740	50	40	BFGB	in-vitro
CO[C@H]1CCCC[C@@H]1CCBr	85396019	VWTAYUIGWZRNFL-BDAKNGLRSA-N	221.138	2.977	50	40	BFGB	
CCOC(=O)N/N=C(C)/C=C/c1ccccc1	5315581	KRBQTFTWPMYWMH-QDCWQMMGSA-N	232.283	2.822	50	40	BFGB	
Cc1cc(F)ccc1C(=O)[C@H](C)Cl	238424160	PSBNMJSQGUIZKG-ZETCQYMHSA-N	200.640	2.944	50	40	BFGB	
O=C(NCCCl)Nc1ccc(Cl)cc1	1708101	RMEIELFCUWHKKK-UHFFFAOYSA-N	233.098	2.700	50	40	BFGB	
CCN(CC)C(=O)[C@@H](Cl)c1ccccc1	3127898	XGCSCGPEXJYFRH-NSHDSACASA-N	225.719	2.835	50	40	BFGB	in-vitro
C[C@@H](Cl)C(=O)Nc1ccc(-c2c[nH]cn2)cc1	37007864	IXYXTMLQFKAAED-MRVPVSSYSA-N	249.701	2.643	50	40	BFGB	in-vitro
O=C(CCl)c1ccc2ncccc2c1	84199312	BPXGZBYUUKFWNM-UHFFFAOYSA-N	205.644	2.656	50	40	BFGB	
C[C@@H]1CCCC/C1=N/NC(=O)c1ccco1	102204941	MXKAKSZJHHXQLY-BLKPKJALSA-N	220.272	2.576	50	40	BFGB	
C[C@H](Cl)C(=O)N(CCC#N)c1ccccc1	3278168	YCNHVRZRJLTKBX-JTQLQIEISA-N	236.702	2.561	50	40	BFGB	
O=C(Cl)c1ccccc1OC(F)F	6335854	HCSXCIOSWIQIKH-UHFFFAOYSA-N	206.575	2.667	50	40	BFGB	in-vitro
ClCC/N=C/c1ccc(Cl)cc1	17025217	VZVWQYUYEHMBOH-KPKJPENVSA-N	202.084	2.998	50	40	BFGB	
BrC[C@H]1CC[C@H](c2ccccn2)O1	198735877	MMELHAOKCHLRPM-PSASIEDQSA-N	242.116	2.697	50	40	BFGB	
O=S1(=O)CCC[C@H]1[C@H](Cl)c1ccccc1	1725676	AKLDOPKGYNASAB-WDEREUQCSA-N	244.743	2.544	50	40	BFGB	
ClCCn1nccc1-c1ccccc1	96527633	YPYQCLIOQNQJOM-UHFFFAOYSA-N	206.676	2.789	50	40	BFGB	
C[C@H](Cl)C(=O)c1ccc(F)c(C#N)c1	307750337	JNENJKZFCMGRSO-LURJTMIESA-N	211.623	2.507	50	40	BFGB	
CCOc1cc(F)ccc1C(=O)Cl	95739461	NSXVRKZWVIFCGL-UHFFFAOYSA-N	202.612	2.603	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1ccc(OC(F)F)cc1	4219007	GNQBJAWLGMRITK-ZCFIWIBFSA-N	249.644	2.854	50	40	BFGB	
F[C@@H](C(F)(F)F)C(F)(F)OCCCl	16159125	KPNVUOKUALXDDR-VKHMYHEASA-N	230.535	2.735	50	40	BFGB	
Cc1cc(C=C(C#N)C#N)c(C)n1C1CC1	3192676	WVDNLQFRWLMFRE-UHFFFAOYSA-N	211.268	2.870	50	40	BFGB	
O=C(CCc1ccccc1)NNc1ccccc1	3845672	WRXWOXKJTAQIBR-UHFFFAOYSA-N	240.306	2.763	50	40	BFGB	biogenic
C/C(CCCCCCCCC#N)=N/NC(N)=O	5328380	QOOGJKIQQRXAQB-PTNGSMBKSA-N	238.335	2.675	50	40	BFGB	
CC(C)CC(=O)N/N=C/c1c[nH]c2ccccc12	225629	KBZLKZBDYYTRIM-CXUHLZMHSA-N	243.310	2.664	50	40	BFGB	
CCOc1ccc(OCCCl)cc1	3886308	PRXQWDDYOSLTGT-UHFFFAOYSA-N	200.665	2.703	50	40	BFGB	in-vitro
C[C@H](Oc1cccc(Cl)c1)C(=O)Cl	6182793	ZTVZDNDXSGIOTQ-LURJTMIESA-N	219.067	2.873	50	40	BFGB	in-vitro
C/C(=N\NC(=O)C1CCCCC1)c1ccncc1	16973046	LLJBBOVASODVRA-LFIBNONCSA-N	245.326	2.502	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1cccc(C#N)c1	306647512	BVXMAIOQYIGYLC-SNVBAGLBSA-N	207.660	2.758	50	40	BFGB	
CC(C)OC(=O)c1ccc(CCl)o1	3277982	RQMSNEFRYKWKOW-UHFFFAOYSA-N	202.637	2.584	50	40	BFGB	in-vitro
COc1ccc(C(=O)/C=C\SC#N)cc1	16216168	RQQWVZWNTCAPSN-SREVYHEPSA-N	219.265	2.606	50	40	BFGB	
O=S(=O)(c1ccccc1)[C@@H]1CCC[C@H]1Cl	1700459	XKJNXALIQQIRQB-GHMZBOCLSA-N	244.743	2.620	50	40	BFGB	
C[C@H](Cl)C(=O)N1CCCc2ccccc21	3278055	HGZBRNUARKFHGK-VIFPVBQESA-N	223.703	2.593	50	40	BFGB	in-vitro
C[C@H](Br)C(C)(C)Br	54967635	XLTWAJQKAGLQDX-BYPYZUCNSA-N	229.943	2.943	50	40	BFGB	
C[C@@]1(c2ccccc2)OC[C@@H](CCl)O1	1676826	BFBWNIQRFXNTDO-GHMZBOCLSA-N	212.676	2.514	50	40	BFGB	
C[C@@H](Cl)CN1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	6491816	PCNSLISBMZJMLK-ZIQFBCGOSA-N	213.752	2.592	50	40	BFGB	
CC(C)C(=O)/C(C#N)=C\c1cccc(O)c1	40549583	CGCSRYDWRBTXIU-WDZFZDKYSA-N	215.252	2.524	50	40	BFGB	
CCOC(=O)N/N=C/C1=CC[C@H]2C[C@H]1C2(C)C	102400669	GCRFUQYZTSOAHV-ZONAYOOBSA-N	236.315	2.711	50	40	BFGB	
C[C@@H](NC(=O)CCl)c1cccc(Cl)c1	3888029	IPGDMBWEYHBLRL-SSDOTTSWSA-N	232.110	2.756	50	40	BFGB	
O=C(OCc1ccccc1)N1CC[C@@H](Cl)C1	79436565	QDJDFKNDEFPEIN-LLVKDONJSA-N	239.702	2.636	50	40	BFGB	
C=CCOc1cc(OC)ccc1CCl	96024904	JGVGDUOKNNTMBY-UHFFFAOYSA-N	212.676	2.999	50	40	BFGB	
Cl[C@H]1C[C@H]2CC[C@H]1[C@H]2Br	104100201	FAZDKRUDSNQPBW-JWXFUTCRSA-N	209.514	2.787	50	40	BFGB	
COc1ccc2oc(=O)cc(CCl)c2c1	20349008	MFJWEHXWXYXYCK-UHFFFAOYSA-N	224.643	2.540	50	40	BFGB	biogenic
O=C[C@H]1Cc2ccccc2CC[C@H]1Cl	1857793602	XSMHCZASEXGJOR-VXGBXAGGSA-N	208.688	2.598	50	40	BFGB	
O=[N+]([O-])c1cc(CCl)ccc1Cl	2515937	NWDCIQHALIFWCA-UHFFFAOYSA-N	206.028	2.987	50	40	BFGB	
CC(=O)Nc1ccc([C@@H]2CCC=C(C#N)O2)cc1	4267784	JETVJGBRPVAXAH-AWEZNQCLSA-N	242.278	2.904	50	40	BFGB	biogenic
[C-]#[N+]C1CCC(NC(=O)OC(C)(C)C)CC1	95698329	AHUSSYBCULMDJK-UHFFFAOYSA-N	224.304	2.742	50	40	BFGB	
O=C1OC(=O)c2ccccc2/C1=C/c1ccco1	100510461	DGGXSAMOLYQJIV-WQLSENKSSA-N	240.214	2.517	50	40	BFGB	
CC1(C)[C@@H]2CC(=O)[C@]1(C)C[C@@H]2Br	100746555	CQQIQTIKYYOMEP-FWWHASMVSA-N	231.133	2.775	50	40	BFGB	
Cc1ccc(/C=C(/C#N)C(=O)N2CCCC2)s1	12409074	HAEWKONYXZATHB-FLIBITNWSA-N	246.335	2.586	50	40	BFGB	
O=C(Cl)c1ccc(Oc2cccnc2)o1	20286604	PYHOOXFOMUOIOC-UHFFFAOYSA-N	223.615	2.846	50	40	BFGB	
CCCOc1cc(F)cc(C(=O)Cl)c1	95739809	HDUREAZNTVWZFR-UHFFFAOYSA-N	216.639	2.994	50	40	BFGB	
O=C(O)CSc1ccc(N=C=S)cc1	1595622	HLGOGEXQKKWISO-UHFFFAOYSA-N	225.294	2.598	50	40	BFGB	in-vitro
Cc1ccc(/C=C(\C#N)C(=O)N2CCCCC2)o1	40221117	WSONCJZOWWZROJ-FMIVXFBMSA-N	244.294	2.508	50	40	BFGB	
COc1cc(Br)ccc1C(=O)Cl	45957464	MJJFPKWHYNJAKG-UHFFFAOYSA-N	249.491	2.837	50	40	BFGB	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Br)[C@@H]1CC=C[C@H]21	104373942	SIXMOPYAPOACIA-RVPZKGPBSA-N	242.116	2.727	50	40	BFGB	
Cn1c(CCl)nc2ccc(Cl)cc21	4707542	ZIUIRFCBAHQRSK-UHFFFAOYSA-N	215.083	2.966	50	40	BFGB	
CC(C)=CCCC1=CC[C@H]2C(=O)OC(=O)[C@@H]2C1	100128629	USHLVOCVVSTOQO-VXGBXAGGSA-N	234.295	2.769	50	40	BFGB	
C[C@H](Cl)Cc1cc2ccc(O)cc2oc1=O	3165344	NUNPQVFLXHOWIU-ZETCQYMHSA-N	238.670	2.668	50	40	BFGB	
COc1ccc(C(=O)[C@H](C)Cl)c(OC)c1	3379351	QQFJJXPXMRAEFS-ZETCQYMHSA-N	228.675	2.514	50	40	BFGB	
Oc1ccc(N(CCl)CCl)cc1	329788050	DGDDGYWOPQEBOY-UHFFFAOYSA-N	206.072	2.591	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@H](C)c1ccc(F)cc1	2650720	XVXFVUJDOHMVOV-JGVFFNPUSA-N	229.682	2.630	50	40	BFGB	in-vitro
CC1=C/C(=N\NC(=O)c2ccccc2)CC1	5162879	BSGFRTGOTMBJAP-OWBHPGMISA-N	214.268	2.513	50	40	BFGB	
C[C@@H](Cl)C(=O)c1cccc(F)c1F	238427541	MUGGEDGGQXBKPI-RXMQYKEDSA-N	204.603	2.775	50	40	BFGB	
CC1(C)Oc2nc3ccccc3n2/C1=C\C#N	259245	BYOIFFCSFPZWTC-XFFZJAGNSA-N	225.251	2.572	50	40	BFGB	
CCCC[C@H](CC)COC[C@H](O)CCl	16637693	VQMJOZXWGXOUPB-WDEREUQCSA-N	222.756	2.819	50	40	BFGB	
F[C@@H](Br)C(F)(F)Br	63146239	UREJNEBJDURREH-PVQJCKRUSA-N	241.832	2.665	50	40	BFGB	
C=CCC[Si](OCC)(OCC)OCC	195887272	LUZRKMGMNFOSFZ-UHFFFAOYSA-N	218.369	2.611	50	40	BFGB	
CC(C)CC=NNC(=O)[C@@H](C)Oc1ccccc1	245241394	CPLRWPUDQLSEIH-GFCCVEGCSA-N	248.326	2.602	50	40	BFGB	
COc1cccc(C)c1OC(=O)Cl	2362803613	POXOUUQSKWQRNA-UHFFFAOYSA-N	200.621	2.741	50	40	BFGB	
Cc1cc(C)c2cc(C=C(C#N)C#N)c(=O)[nH]c2c1	421501	MTLUYPOQPQXFDY-UHFFFAOYSA-N	249.273	2.576	50	40	BFGB	
CCN(CC)c1ccc(NC(=O)CCl)cc1	1672723	JZMFUUOPDUHKBZ-UHFFFAOYSA-N	240.734	2.710	50	40	BFGB	in-vitro
CCCCC/C(C)=C(/C#N)C(=O)OCC	16925382	HQINTTXKTGGJNL-KHPPLWFESA-N	209.289	2.970	50	40	BFGB	
Cc1ccc2c(c1)C(=C(C#N)C#N)CCN2	1700924	FZPBQKLWMYXOJW-UHFFFAOYSA-N	209.252	2.611	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccc(OC(F)F)cc1	4219006	GNQBJAWLGMRITK-LURJTMIESA-N	249.644	2.854	50	40	BFGB	
CCOC(=O)N/N=C(\C)CCc1ccccc1	4985778	XPLOXRVMPNULLU-SDNWHVSQSA-N	234.299	2.741	50	40	BFGB	
O=C(CCCCl)N1CCc2ccccc21	6341751	MEALGJYIEAHDBR-UHFFFAOYSA-N	223.703	2.595	50	40	BFGB	
Cn1nc(-c2cccs2)cc1C(=O)Cl	12370340	RWNPHTCQXYXZQA-UHFFFAOYSA-N	226.688	2.528	50	40	BFGB	
O=C(Cl)c1c(Cl)cncc1Cl	35837398	GYEWEUCHJJZGFQ-UHFFFAOYSA-N	210.447	2.767	50	40	BFGB	
N#CC(NC(=O)c1cccs1)=C(Cl)Cl	72238734	HRAWKHWBLQEKSE-UHFFFAOYSA-N	247.106	2.648	50	40	BFGB	
Cc1ccccc1Cn1cncc1CCl	85216382	RPRWYHIAPVTXDF-UHFFFAOYSA-N	220.703	2.979	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(C#N)c(F)c1	308807241	PATKYBFXLHAPMY-VIFPVBQESA-N	225.650	2.897	50	40	BFGB	
ClC[C@H]1CO[C@H](CCc2ccccc2)O1	1676838	LVEXQJQCORNRGK-RYUDHWBXSA-N	226.703	2.600	50	40	BFGB	
ClCCCC[C@@H](CCl)NCCCl	1700125	DXAXAMOJKIPFJM-QMMMGPOBSA-N	232.582	2.831	50	40	BFGB	
Oc1ccc(OC(F)(F)[C@@H](F)Cl)cc1	15442316	IHSZEBVZILGPJR-SSDOTTSWSA-N	226.581	2.898	50	40	BFGB	
C[C@@H](Br)C(=O)c1cc(F)ccc1F	36903463	RVYATSSPBCRXII-RXMQYKEDSA-N	249.054	2.931	50	40	BFGB	
O=CC1=Cc2c(ccc3ccccc23)OC1	20285420	BIHHFQLXQICCJQ-UHFFFAOYSA-N	210.232	2.815	50	40	BFGB	in-vitro
CC(C)=C1[C@@H]2CCC[C@@]1(C)CC/C2=N\NC(N)=O	43761554	QLKTZKLGLHYCTD-PRKYBFEBSA-N	249.358	2.947	50	40	BFGB	
BrC[C@@H]1CC(c2cccs2)=NO1	217840252	FYHLPQCPQSDHBA-LURJTMIESA-N	246.129	2.636	50	40	BFGB	
N#CC(C#N)=C1c2ccccc2-c2ncccc21	118225	KMQJZOXTKSDEAY-UHFFFAOYSA-N	229.242	2.911	50	40	BFGB	
O=C(N/N=C1/C[C@H]2C=CC[C@@H]12)C1CCCCC1	5382486	CSKUPJIJZIEQBV-UTBUBNTNSA-N	232.327	2.635	50	40	BFGB	
Fc1ccccc1CI	82880689	QSBUNMDMMGVBIE-UHFFFAOYSA-N	236.027	2.761	50	40	BFGB	
Cc1ccc(C(=O)OCCBr)cc1	1615270	AEBLMXYXMMHYDL-UHFFFAOYSA-N	243.100	2.547	50	40	BFGB	
NN(C(=O)c1ccc(Cl)cc1)c1ccccc1	1729740	UPYOOGDANMQNRS-UHFFFAOYSA-N	246.697	2.861	50	40	BFGB	
Cc1ccsc1CN(C(=O)CCl)C1CC1	79436270	STENETYZOOYPGN-UHFFFAOYSA-N	243.759	2.786	50	40	BFGB	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Br)[C@@H]1CC=C[C@@H]21	104373940	SIXMOPYAPOACIA-MHCVYJKHSA-N	242.116	2.727	50	40	BFGB	
C[C@@H](Cl)C(=O)c1cc(F)ccc1F	19269232	QGDIWNINYZREAL-RXMQYKEDSA-N	204.603	2.775	50	40	BFGB	
C[C@H](Cl)CNc1nc2ccccc2[nH]1	40175486	TWAHRXJGUFODIK-ZETCQYMHSA-N	209.680	2.602	50	40	BFGB	
C[C@H](Cl)C(=O)c1ccc(C#N)c(F)c1	306496467	DPGAPHQQRFGPMQ-LURJTMIESA-N	211.623	2.507	50	40	BFGB	
ClC[C@H]1CN[C@H](c2ccc(Cl)cc2)O1	20268008	XJJPFRUMIOXIRJ-UWVGGRQHSA-N	232.110	2.566	50	40	BFGB	
C[C@H]1C/C(=N\NC(=O)C2CC2)CC(C)(C)C1	33044058	LADQTYFIHQSXHS-YANUDECOSA-N	222.332	2.715	50	40	BFGB	
CC1(C)[C@H]2CC(=O)[C@@]1(C)C[C@@H]2Br	100746559	CQQIQTIKYYOMEP-MHYGZLNHSA-N	231.133	2.775	50	40	BFGB	
Cl[C@H]1CCN2CCc3ccccc3[C@H]2C1	253380281	ZVAFQGZUKSEIBX-WCQYABFASA-N	221.731	2.987	50	40	BFGB	
C=CCOC[C@@H](Br)C(F)(F)F	82863681	JQIYNUIXTIOHDG-RXMQYKEDSA-N	233.027	2.515	50	40	BFGB	
CC1(C)C(=C(C#N)C#N)C(C)(C)C1=C(C#N)C#N	1691761	PEGOQLUAOMEHPV-UHFFFAOYSA-N	236.278	2.740	50	40	BFGB	
CCOC(=O)C(C#N)=C1C2CC3CC(C2)CC1C3	3096623	JBHXMSBFRIGBPR-UHFFFAOYSA-N	245.322	2.826	50	40	BFGB	
O=C(CCl)Nc1oncc1-c1ccccc1	57519827	DJNCTDRHCGNCKG-UHFFFAOYSA-N	236.658	2.519	50	40	BFGB	
CC(=O)c1ccccc1NC(=O)CCCCl	4218401	RZVSAGPFKZLLTR-UHFFFAOYSA-N	239.702	2.847	50	40	BFGB	
CCCC(CCC)=NNC(=O)c1ccncc1	5415115	TZTXQDYBPOWLBD-UHFFFAOYSA-N	233.315	2.768	50	40	BFGB	
Cc1ccc(NC(=O)[C@@H](C)Cl)c(F)c1	20363153	BXGBVPDVVORGGP-SSDOTTSWSA-N	215.655	2.700	50	40	BFGB	
CCCCO[C@@H](CC)CBr	22113112	RFTXRWCZYVNUCH-QMMMGPOBSA-N	209.127	2.977	50	40	BFGB	
COC(=O)N/N=C/c1ccc2ccccc2c1	491903	XNSRXQWXDCDDEZ-NTEUORMPSA-N	228.251	2.530	50	40	BFGB	
CCOC(=O)/C(C#N)=C(/C)Cc1ccccc1	1670918	VILJUDAUKVJAFJ-QBFSEMIESA-N	229.279	2.632	50	40	BFGB	
C[C@@H](Cl)C(=O)N[C@H]1CCCc2ccccc21	3887372	JECZABDCMGFFAP-SKDRFNHKSA-N	237.730	2.808	50	40	BFGB	
O=C(CCl)c1cccc(C(=O)CCl)c1	4266035	AODZFAGHJHMZSC-UHFFFAOYSA-N	231.078	2.530	50	40	BFGB	biogenic
C[C@@H](Cl)CNc1nc2ccccc2[nH]1	40175487	TWAHRXJGUFODIK-SSDOTTSWSA-N	209.680	2.602	50	40	BFGB	
CC(C)C(=O)Nc1ccc(C(=O)CCl)cc1	3351161	SRCHFZSYXCYZOM-UHFFFAOYSA-N	239.702	2.703	50	40	BFGB	
O=C(N/N=C/C1CCCCC1)c1ccccc1O	5514663	OHBUFXPUWRRAST-XNTDXEJSSA-N	246.310	2.688	50	40	BFGB	
Fc1cccc(-c2nc(CCl)no2)c1	26514047	YCOKTYBAJSXBTK-UHFFFAOYSA-N	212.611	2.615	50	40	BFGB	
CCCCOC(=O)/C(C#N)=C\c1ccc(O)cc1	97990736	OECWIXBVVGYWEC-XFXZXTDPSA-N	245.278	2.642	50	40	BFGB	
N#CC1=CNc2ccccc2N=C1Cl	1531862464	ITDRFMPMHUBUJE-UHFFFAOYSA-N	203.632	2.788	50	40	BFGB	
Cc1ccc(C[C@H](C#N)SC#N)cc1	146388	QUXBGUAZBTXLGQ-LLVKDONJSA-N	202.282	2.644	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(C)C(=O)[C@@H]2Br	507384	NJQADTYRAYFBJN-XSSZXYGBSA-N	231.133	2.775	50	40	BFGB	
O=C/C(=C/O)c1cccc(C(F)(F)F)c1	16125519	SEICBNDPMYYQJY-YVMONPNESA-N	216.158	2.803	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\CC)c1ccccc1	16951863	LYBDDDYNWSIADW-OUKQBFOZSA-N	229.279	2.937	50	40	BFGB	
Cc1csc2nc(C(Cl)Cl)[nH]c(=O)c12	102387360	VBKKZBLUVAOESP-UHFFFAOYSA-N	249.122	2.769	50	40	BFGB	
CCCCCC[C@H](C)OC(=O)/C=C/C#N	112965539	JPJBLJYIWFFPCG-DJYGCBNOSA-N	209.289	2.968	50	40	BFGB	
CCOC(=O)c1ccc(C(=O)CCCCl)o1	309371706	SHFRQJWOJVVHAQ-UHFFFAOYSA-N	244.674	2.658	50	40	BFGB	
CCOC(=O)/C(C#N)=C\[C@H](C)c1ccccc1	8642289	MFLJZPNENIEBMK-KWJWQAOWSA-N	229.279	2.803	50	40	BFGB	
CCCCCC/C=C/[C@@H]1CC(=O)OC1=O	95619733	FLISWPFVWWWNNP-QROSGCPLSA-N	210.273	2.603	50	40	BFGB	endogenous,in-man
CC(=O)O[C@@H]1C[C@@H]2c3ccccc3[C@@H]1[C@@H]2Cl	104105701	NLHOTHYTGKMXGX-FVCCEPFGSA-N	236.698	2.810	50	40	BFGB	
COC(=O)[C@H](Cl)c1cccc(Cl)c1	50977869	XVNGCYNGUGKRFR-MRVPVSSYSA-N	219.067	2.793	50	40	BFGB	in-vitro
CCOC(=O)c1ccc(C(=O)[C@@H](Cl)CC)o1	309201820	YNSJYGIRLIWJTR-ZETCQYMHSA-N	244.674	2.656	50	40	BFGB	
CCCC[C@@H](CC)CN(N=O)C(=O)OC	5049229	DSAATBPGHAKPFJ-SECBINFHSA-N	216.281	2.953	50	40	BFGB	
C/C(=N\NC(=O)c1ccccc1)c1ccc(C)o1	5364019	GKUSQZXHKIONFV-RVDMUPIBSA-N	242.278	2.742	50	40	BFGB	
CC1(C)C[C@@H]2C[C@](C)(CN2C(=O)CCl)C1	100298346	HGYJGKCRBKBQGD-SKDRFNHKSA-N	229.751	2.652	50	40	BFGB	
CC(=O)Nc1c(Cl)cccc1C(=O)Cl	199746561	FANIMWRQWIPCSR-UHFFFAOYSA-N	232.066	2.677	50	40	BFGB	
CCOC(=O)N/N=C1/C[C@@H](C)CC(C)(C)C1	8692245	UUYRFLJVDMICPN-BLKPKJALSA-N	226.320	2.935	50	40	BFGB	
O=C(CCl)c1ccnc2ccccc12	89065438	NBPSXWPURGKWQX-UHFFFAOYSA-N	205.644	2.656	50	40	BFGB	
CC(C)c1ccc(/C=C(/C#N)S(C)(=O)=O)cc1	96021641	FQTQONJXIOPLMK-JYRVWZFOSA-N	249.335	2.719	50	40	BFGB	
C[C@H](Cl)C(=O)Nc1ccc2c(c1)CCC2	1437981	UQFMLEDVKSXJJC-QMMMGPOBSA-N	223.703	2.741	50	40	BFGB	in-vitro
Cn1ccnc1[C@H](Cl)c1ccccc1	22115138	HDTDHSYUTBBFTK-SNVBAGLBSA-N	206.676	2.748	50	40	BFGB	
Cc1nc(Cl)nc(Cl)c1CCl	34091278	XPHHRYQLVDQYDR-UHFFFAOYSA-N	211.479	2.831	50	40	BFGB	
CCOc1ccc(C(=O)Cl)c(F)c1F	38529899	BTIZLROTPPAIEJ-UHFFFAOYSA-N	220.602	2.743	50	40	BFGB	
CCOc1ccc(OCCBr)cc1	3267979	GWIJIQSINPWYNU-UHFFFAOYSA-N	245.116	2.859	50	40	BFGB	
CCC(CC)=NNC(=O)Cc1ccccc1	5416807	NAPXJTCDDQUQSD-UHFFFAOYSA-N	218.300	2.521	50	40	BFGB	
O=[S@@](CCCl)c1ccc(Cl)cc1	32628196	ABPUJGQRGDWCBZ-GFCCVEGCSA-N	223.124	2.686	50	40	BFGB	in-vitro
CCN(Cc1ccc(Cl)cc1)C(=O)CCl	79418686	QWOFEOUPFGWGSZ-UHFFFAOYSA-N	246.137	2.927	50	40	BFGB	
O=C(CCl)Nc1cccc2c1CCCC2	4129034	VEGAWTCJFWDVFD-UHFFFAOYSA-N	223.703	2.743	50	40	BFGB	
Cc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@@H]2C3)cs1	102327640	JOZQPCNFHUMXHF-TZOZIHNUSA-N	248.351	2.962	50	40	BFGB	
CCOC(=O)N/N=C(/C)[C@H]1C[C@H]2CC[C@H]1C2	107547556	AHHMMDWWIPBZFE-ZEWUHEBVSA-N	224.304	2.545	50	40	BFGB	
N#CCn1cc(C=C(C#N)C#N)c2ccccc21	409369714	FELFNLXFTCMAHQ-UHFFFAOYSA-N	232.246	2.595	50	40	BFGB	
Cc1ccccc1Cc1nc(CCl)no1	26514912	BDGVQIWESRFYEE-UHFFFAOYSA-N	222.675	2.708	50	40	BFGB	in-vitro
CC1(C)C[C@@H](CBr)CCO1	85663559	WOYFLWORBWUVJY-ZETCQYMHSA-N	207.111	2.587	50	40	BFGB	
N#CC/C(C#N)=C\OC(=O)c1ccc(Cl)cc1	1738129	IKGPJLZJGKWXSP-CMDGGOBGSA-N	246.653	2.818	50	40	BFGB	
CCOC(=O)/C(C#N)=C1\CCCC[C@@H]1C	33710311	KVCLNYLAXSCYAP-YHTNPHCKSA-N	207.273	2.580	50	40	BFGB	
Fc1cc(F)cc(CCBr)c1	55230844	GNDFMCHYXPCYBW-UHFFFAOYSA-N	221.044	2.902	50	40	BFGB	in-vitro
BrC[C@H]1CCCCN1CC1CC1	87755563	HTCSCIBEQWRUKY-SNVBAGLBSA-N	232.165	2.646	50	40	BFGB	
COC(=O)c1cccc(N=C=S)c1C	89630013	NUTYOHYSKYRBSS-UHFFFAOYSA-N	207.254	2.516	50	40	BFGB	in-vitro
Cl[C@@H]1C[C@H]2CC[C@H]1[C@H]2Br	104100194	FAZDKRUDSNQPBW-GBNDHIKLSA-N	209.514	2.787	50	40	BFGB	
CC(C)(C)OOC(C)(C)C#CC1(O)CCCC1	492865	CHWQQAHVKTUDRE-UHFFFAOYSA-N	240.343	2.820	50	40	BFGB	
Oc1nc(CCl)nc2c1oc1ccccc12	3888441	UTFOEOBMLILAKL-UHFFFAOYSA-N	234.642	2.820	50	40	BFGB	
Fc1cccc(CI)c1	59027843	NBZPDSQNTKSZML-UHFFFAOYSA-N	236.027	2.761	50	40	BFGB	
CC(C)CC=NNC(=O)[C@H](C)Oc1ccccc1	245241395	CPLRWPUDQLSEIH-LBPRGKRZSA-N	248.326	2.602	50	40	BFGB	
Cc1cccc(C[C@@H](C#N)SC#N)c1	3043002	LZBFLYOAIOSFDX-NSHDSACASA-N	202.282	2.644	50	40	BFGB	
N#C/C(=C\c1ccc[nH]1)c1nc2ccccc2[nH]1	4535386	UAJLCZROGMHVEQ-CSKARUKUSA-N	234.262	2.955	50	40	BFGB	
Cc1csc(/C(C#N)=C/c2cc(C)nn2C)n1	6922173	DQPBMNNRQDGOML-BJMVGYQFSA-N	244.323	2.558	50	40	BFGB	
CCc1cc(C(=O)Cl)c(OC)c([N+](=O)[O-])c1	57339145	IVRXCJGMBAUKFD-UHFFFAOYSA-N	243.646	2.545	50	40	BFGB	
ClCC(CCl)OC[C@H](Cl)CCl	72399693	CGTOLZSVWKPITO-RXMQYKEDSA-N	239.957	2.695	50	40	BFGB	in-vitro
O=C(CBr)Cc1cccc(Cl)c1	84199272	DLLJAAHTGQYHRX-UHFFFAOYSA-N	247.519	2.847	50	40	BFGB	
N#CC1=Cc2c(Br)cccc2OC1	90562484	ADAYHDUSYQEYMD-UHFFFAOYSA-N	236.068	2.748	50	40	BFGB	
C[C@@H](Br)C(F)(F)C(F)(F)F	97436553	ASHMHGMFCBIULG-UWTATZPHSA-N	226.970	2.967	50	40	BFGB	
Cc1nn(C)c2nc(C3CC3)cc(CCl)c12	408715336	JTCSTFDAMVAMOR-UHFFFAOYSA-N	235.718	2.893	50	40	BFGB	
CC1=C[C@](C)(C(Cl)Cl)C=CC1=O	384118	OVJHGAXYMVWABG-SECBINFHSA-N	205.084	2.882	50	40	BFGB	
CN1CC[C@H]2C[C@H](Br)CC[C@@H]2C1	4277033	FQFNYAKOZPURLX-IVZWLZJFSA-N	232.165	2.502	50	40	BFGB	
Cc1oc(-c2ccncc2)nc1CCl	16124779	ZHKXUUIUQRTXIK-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	
N#Cc1ccc(OCCCBr)cc1	34959610	ZIUYNDUOFPXUOD-UHFFFAOYSA-N	240.100	2.722	50	40	BFGB	
Cc1ccc(-n2nnc(CCl)c2C)cc1	67172654	HEOXMPIMKWFSAZ-UHFFFAOYSA-N	221.691	2.623	50	40	BFGB	
Cc1ccc(C)c(CC[C@@H](O)CCl)c1	1669858	BDDFIVPGSLEAFG-GFCCVEGCSA-N	212.720	2.836	50	40	BFGB	
CCN(CC)CCC[C@H](C)Br	1555619	URHCQKJTZNRAIZ-VIFPVBQESA-N	222.170	2.892	50	40	BFGB	
COC(=O)CCc1ccc(CCl)cc1	1671280	VTMAOWNBGPNCFE-UHFFFAOYSA-N	212.676	2.531	50	40	BFGB	
CC(C)NC(=O)/C(C#N)=C/c1ccccc1Cl	3616601	ZKKUDHHSJGGRSI-YRNVUSSQSA-N	248.713	2.772	50	40	BFGB	
BrC[C@@H]1CCCCN1CC1CC1	87755561	HTCSCIBEQWRUKY-JTQLQIEISA-N	232.165	2.646	50	40	BFGB	
CC(C)(C)C1CCC(=NNC(=O)CC#N)CC1	59472816	SVHUBEUMJBDIJK-UHFFFAOYSA-N	235.331	2.609	50	40	BFGB	
N#Cc1ccc(Cl)nc1CBr	95098105	NBJBHVQIOSNRDE-UHFFFAOYSA-N	231.480	2.502	50	40	BFGB	
ClCCOCCOc1ccccc1Cl	1600288	XXBDLMVHBXTXDI-UHFFFAOYSA-N	235.110	2.974	50	40	BFGB	
ClCCC[C@@H]1COc2ccccc2O1	5854295	SDQZGFJYKGIPLO-SECBINFHSA-N	212.676	2.845	50	40	BFGB	
O=C(Cl)c1cc(Cl)c2[nH]cnc2c1	73633872	HZEWGBIFMHBOQP-UHFFFAOYSA-N	215.039	2.595	50	40	BFGB	
ClCn1ncc2c(Cl)cccc21	95098286	QUSFCCJXSADKIT-UHFFFAOYSA-N	201.056	2.886	50	40	BFGB	
CC1(C)[C@H]2CC[C@@]1(C)/C(=N/NC(=O)CCl)C2	100098169	OBYXIOFDPWYYST-CDEWQRMJSA-N	242.750	2.544	50	40	BFGB	
CC1(C)C[C@H]2C[C@@](C)(CN2C(=O)CCl)C1	100298350	HGYJGKCRBKBQGD-JOYOIKCWSA-N	229.751	2.652	50	40	BFGB	
N#C/C=C/c1cccc(Br)c1	1624970	DTGJLERNSYLLAU-DUXPYHPUSA-N	208.058	2.986	50	40	BFGB	
Cc1cc(C)c(CCNC(=O)CCl)c(C)c1	57214355	ISPQJNQZIHRDBZ-UHFFFAOYSA-N	239.746	2.509	50	40	BFGB	in-vitro
Fc1cc(C(F)(F)F)cnc1CCl	98091110	GLTKJPFDFOJNRC-UHFFFAOYSA-N	213.561	2.978	50	40	BFGB	
C[C@H](Br)[C@H](C)CBr	196276269	BUSRMHUIGFKVAM-UHNVWZDZSA-N	229.943	2.801	50	40	BFGB	
CCOC(=O)/C(C#N)=C/c1cccc(Cl)c1	1045202	OPKOIQXGDVIXMJ-UXBLZVDNSA-N	235.670	2.810	50	40	BFGB	
C[C@]1(c2ccccc2)OC[C@H](CCl)O1	1676829	BFBWNIQRFXNTDO-QWRGUYRKSA-N	212.676	2.514	50	40	BFGB	
O=C([C@@H](Cl)c1ccccc1)N1CCCC1	4206737	NNMHHCBBUPWNDO-NSHDSACASA-N	223.703	2.589	50	40	BFGB	
O=C(CCCCl)Nc1ccc([N+](=O)[O-])cc1	5258969	SEZFNAQBBUCGAI-UHFFFAOYSA-N	242.662	2.552	50	40	BFGB	
Clc1ncn(CCBr)c1Cl	19702723	WGTBKHPUGKXXTE-UHFFFAOYSA-N	243.919	2.585	50	40	BFGB	
N#C/C(=C\c1ccc(O)cc1)c1ccccn1	4347852	MYYUZGQPEYHJTC-FMIVXFBMSA-N	222.247	2.851	50	40	BFGB	
CO[C@H]1C[C@H](C)[C@@H](Cl)[C@@H](C)[C@H]1/C=C/C(=O)O	5086206	GEMGNGRIAVCBBC-WPXXXCJOSA-N	246.734	2.542	50	40	BFGB	
O=C/C=C/CCCCCCCCC(=O)O	14619257	INMKWUNQKOWGEZ-VQHVLOKHSA-N	212.289	2.947	50	40	BFGB	endogenous,in-man
CSc1ncccc1-c1nc(CCl)no1	165006	YDSPUOMNQKBJCB-UHFFFAOYSA-N	241.703	2.592	50	40	BFGB	
O=N[C@H]1[C@H]2C[C@@H]([C@H]3CC=C[C@@H]32)[C@H]1Br	104373946	SIXMOPYAPOACIA-UCKHGQTESA-N	242.116	2.727	50	40	BFGB	
COc1cccc(NC(=O)CCCCl)c1	4137116	QXNMZXAALHEBEL-UHFFFAOYSA-N	227.691	2.653	50	40	BFGB	
Cc1ccc(C)c([S@@](=O)CCCl)c1	32628306	ZFZKJTCSVOTPIF-CYBMUJFWSA-N	216.733	2.650	50	40	BFGB	
CC[C@H](Cl)C(=O)c1cccc(OC)c1	71423519	OVEUFOXJKGORMV-JTQLQIEISA-N	212.676	2.895	50	40	BFGB	
CC(C)C(=NNC(=O)c1ccco1)C(C)C	4503661	FELMLPBCVMDLTF-UHFFFAOYSA-N	222.288	2.677	50	40	BFGB	
CCOc1ccc(C)cc1C(=O)CCl	31893418	KOUWPZOHJHLRQM-UHFFFAOYSA-N	212.676	2.815	50	40	BFGB	
C[C@H](Cl)C(=O)c1c(F)cccc1F	148179915	XAWJAMDXMQCRIB-YFKPBYRVSA-N	204.603	2.775	50	40	BFGB	
ClC[C@H]1CO[C@@H](c2ccc(Cl)cc2)O1	1674894	PWUSSDSFKIJXBB-VHSXEESVSA-N	233.094	2.993	50	40	BFGB	
N#C[C@H]1c2ccccc2C=CN1C(=O)CCCl	2032215	OVKNQLCXEQHYLH-LBPRGKRZSA-N	246.697	2.693	50	40	BFGB	
CN(Cc1cccc(Cl)c1)C(=O)CCl	4218772	XEOQNIRKKCEMOT-UHFFFAOYSA-N	232.110	2.537	50	40	BFGB	
C[C@H]1CCc2ccccc2N1C(=O)[C@@H](C)Cl	19429829	PTUVKKDISBBSLU-VHSXEESVSA-N	237.730	2.982	50	40	BFGB	
CC1(C)[C@H]2CC[C@@H](C2)[C@@]1(C)NC(=O)CCl	100098038	FLUMHSYXYCELKC-HOTUBEGUSA-N	229.751	2.556	50	40	BFGB	
Fc1ccc(OCc2noc(CCl)n2)cc1	12505291	OGEDYWKOXPLQFM-UHFFFAOYSA-N	242.637	2.527	50	40	BFGB	
CC[C@H](C)/C(C)=N/NC(=O)c1cccs1	58641769	IINRMXDVYHNNPT-IJTFOSHNSA-N	224.329	2.900	50	40	BFGB	
CON(C(=O)O[Si](C)(C)C)[Si](C)(C)C	196633558	GCGXSWVZNAVCBH-UHFFFAOYSA-N	235.432	2.656	50	40	BFGB	
Cc1ccc2sc(NC(=O)CCl)nc2c1	4512579	OVTBAYQVGPQKEP-UHFFFAOYSA-N	240.715	2.782	50	40	BFGB	
Cc1cc(C)c(CC(=O)CSC#N)c(C)c1	40863271	GBJFBMIGPQLYIR-UHFFFAOYSA-N	233.336	2.938	50	40	BFGB	
N#CC1=C(/N=C/c2ccccc2O)CCC1	280829	ADWCRAXWZIYGEQ-OQLLNIDSSA-N	212.252	2.773	50	40	BFGB	
Cc1ccccc1-n1ncc(C(=O)Cl)c1C	2513523	MHSWLGGUNFSGJR-UHFFFAOYSA-N	234.686	2.868	50	40	BFGB	
CCOC(=O)N(N=O)[C@H](C)c1ccccc1	4429443	YLYAMKIPLZTQQW-SECBINFHSA-N	222.244	2.888	50	40	BFGB	
Cc1ccc(/C=C(/C#N)C(=O)N2CCCCC2)o1	5754155	WSONCJZOWWZROJ-XFXZXTDPSA-N	244.294	2.508	50	40	BFGB	
O=C(Cl)C(Cl)(C(F)(F)F)C(F)(F)F	136162342	XCCPIUFBQPJPKA-UHFFFAOYSA-N	248.937	2.854	50	40	BFGB	
COC(=O)c1ccccc1C(=O)CCCCl	309219707	NSTXRYXKHBEMIU-UHFFFAOYSA-N	240.686	2.675	50	40	BFGB	
COc1nc(CCl)ccc1Br	230489446	JYJCSZTZSDKCGN-UHFFFAOYSA-N	236.496	2.592	50	40	BFGB	
ClC[C@H]1CO[C@@H](c2ccccc2Cl)O1	1674890	GIMPQTBULMJYJR-OIBJUYFYSA-N	233.094	2.993	50	40	BFGB	
CC[C@@H](NC(=O)CCl)c1ccc(C)cc1	4204333	HFIHDKIZXHPSEV-LLVKDONJSA-N	225.719	2.801	50	40	BFGB	in-vitro
O=C(CBr)C1CCCCCC1	39055776	BSEIUQKEQFKWLL-UHFFFAOYSA-N	219.122	2.921	50	40	BFGB	in-vitro
CCOc1cc(F)cc(C(=O)Cl)c1	95739460	SVLUMTNCGDHGHU-UHFFFAOYSA-N	202.612	2.603	50	40	BFGB	
C[C@@]1(CCl)OC(=O)C=C(c2ccccc2)O1	84706	IBWAWEZJZZBWIA-LBPRGKRZSA-N	238.670	2.556	50	40	BFGB	
C=C1CC[C@@H](CC(=O)O)[C@]1(C)CBr	4227950	IACANXNJBCAXBM-WCBMZHEXSA-N	247.132	2.829	50	40	BFGB	
CCOC(=O)/C(C#N)=C/Nc1ccc(CC)cc1	16161635	JEJARQCJKLZBKV-ZRDIBKRKSA-N	244.294	2.631	50	40	BFGB	
ClCc1cncn1Cc1cccs1	85216253	LLZWIRRZPUPUPK-UHFFFAOYSA-N	212.705	2.732	50	40	BFGB	
COc1ccc(C(F)(F)F)c(CCl)n1	307139370	BTTFGWNPWVLNNW-UHFFFAOYSA-N	225.597	2.848	50	40	BFGB	
CC(C)CN(CC(C)C)C(=O)C(Cl)Cl	1682729	LKYFZECIPHDWQK-UHFFFAOYSA-N	240.174	2.931	50	40	BFGB	
CS[C@H](C(=O)Nc1ccccc1)[C@H](C)Cl	2292044	UMZNACFCWPBQQE-WPRPVWTQSA-N	243.759	2.984	50	40	BFGB	
O=C(CCl)N1CCC[C@H]1c1cccs1	7779465	QTNXVJJFLBKKFL-QMMMGPOBSA-N	229.732	2.650	50	40	BFGB	in-vitro
CC1(C)CCCC2=C1C[C@@H]1C(=O)OC(=O)[C@H]1C2	97949431	PMCKZAHMLHCQQZ-UWVGGRQHSA-N	234.295	2.603	50	40	BFGB	
C[C@@H]1CCCC/C1=N\NC(=O)c1ccccc1	13950294	AFLUFEWWPWSSRT-QORHXFOUSA-N	230.311	2.983	50	40	BFGB	
CC(C)Cn1c(CCl)nc2cnccc21	86159804	SABLNNYYJNULTH-UHFFFAOYSA-N	223.707	2.826	50	40	BFGB	
O=C(Cl)c1[nH]nc2c(Cl)cccc12	199565324	LSMZWNHQWXVILI-UHFFFAOYSA-N	215.039	2.595	50	40	BFGB	
N#CC1=C(Cl)c2cc(F)ccc2OC1	107769	LTQZKNVFNOGFJL-UHFFFAOYSA-N	209.607	2.692	50	40	BFGB	
COc1ccc(-c2ocnc2C(=O)Cl)cc1	2509363	PPOMWXKXWCMFNJ-UHFFFAOYSA-N	237.642	2.729	50	40	BFGB	
S=C=Nc1ccc(-c2nnc(S)o2)cc1	2727362	VBGZBLOXMSJIRP-UHFFFAOYSA-N	235.293	2.760	50	40	BFGB	
C/C(=N\NC(=O)c1ccccc1O)C(C)(C)C	4656883	KZOAOOUCRYACKD-NTEUORMPSA-N	234.299	2.544	50	40	BFGB	
CCCC[C@@H](Br)C(=O)Cl	13379587	KZOBODYIXDMSCF-RXMQYKEDSA-N	213.502	2.706	50	40	BFGB	
Cc1ccccc1C(=O)N/N=C\c1ccccc1	31829249	OGPWPXOUEMTHSD-WJDWOHSUSA-N	238.290	2.759	50	40	BFGB	
O=[N+]([O-])c1ccc(CCCBr)cc1	37630377	QQUGTTJYNYXZSW-UHFFFAOYSA-N	244.088	2.922	50	40	BFGB	
CCC/C=N/NC(=O)c1ccc(Cl)cc1	4117862	WOIRFTSFBAHUJU-MDWZMJQESA-N	224.691	2.856	50	40	BFGB	
Cc1ccc(/C=C2\C(=O)ON=C2CCl)s1	44804584	QEFMHXQCTYIMNC-YWEYNIOJSA-N	241.699	2.592	50	40	BFGB	in-vitro
Cc1ccc2c(c1)C[C@@H](CBr)O2	5015120	KUDMJKVKBRFFND-VIFPVBQESA-N	227.101	2.693	50	40	BFGB	
C/C(C=O)=C\c1ccc(/C=C(\C)C=O)cc1	12285476	AGJMNYLBIZPTKE-MKICQXMISA-N	214.264	2.891	50	40	BFGB	
COc1ccc(COCCBr)cc1	19965643	XDLFIODZEMIBRY-UHFFFAOYSA-N	245.116	2.607	50	40	BFGB	in-vitro
O=C(Cl)c1nc2ccccc2nc1Cl	138861644	QIMCIIVGSIZXFU-UHFFFAOYSA-N	227.050	2.662	50	40	BFGB	
FC(F)(F)c1ccc2[nH]c(CCl)nc2n1	96515728	NEJJKBRDVFVBEN-UHFFFAOYSA-N	235.596	2.716	50	40	BFGB	
C/C(=N/NC(=O)c1ccco1)c1ccc(F)cc1	5031949	XEAYHWBKOVYHNN-DHDCSXOGSA-N	246.241	2.573	50	40	BFGB	
Cc1cc(C(F)(F)F)nn1[C@@H](C)C(=O)Cl	21948263	SCGIOXBFCDCYNG-YFKPBYRVSA-N	240.612	2.537	50	40	BFGB	
C[C@H](Cl)OC(=O)Oc1ccccc1	34088515	RLCSVIMOWLKELL-SSDOTTSWSA-N	200.621	2.787	50	40	BFGB	in-vitro
ClCc1cn2cccc(Cl)c2n1	82695321	BLKCOEUZAFDPMQ-UHFFFAOYSA-N	201.056	2.727	50	40	BFGB	
CCO[Si](CC[C@H](C)C#N)(OCC)OCC	198744485	ULJQQFHZTZXSMQ-NSHDSACASA-N	245.395	2.585	50	40	BFGB	
C[C@@]12CC[C@H](C[C@@H]1O)[C@@]2(C)CBr	100746656	IZTHFLJIDXSODK-UTINFBMNSA-N	233.149	2.569	50	40	BFGB	
COc1ccc(C(=O)Cl)cc1Br	5661769	UAAQIUYOLQEKLN-UHFFFAOYSA-N	249.491	2.837	50	40	BFGB	in-vitro
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)OC)C1	18069278	IHGMFIXFDKLJGI-GYXQTMOZSA-N	222.288	2.631	50	40	BFGB	
O=C(Cl)CSc1ccc(F)cc1	26422538	XDJIHFGMRMRRAF-UHFFFAOYSA-N	204.653	2.683	50	40	BFGB	in-vitro
COc1c(C)cc([N+](=O)[O-])c(C)c1C(=O)Cl	57339750	DMLKPGHEZWACRE-UHFFFAOYSA-N	243.646	2.599	50	40	BFGB	
O=C(OC(=O)c1cccs1)c1cccs1	100020506	BKBCDDYQJQGMNX-UHFFFAOYSA-N	238.289	2.807	50	40	BFGB	
ClCCOCCO[C@@H]1CCCC[C@@H]1Cl	5375886	YSYUOOSVUURNBK-VHSXEESVSA-N	241.158	2.808	50	40	BFGB	
CCOC(=O)/C(OCC)=C(\C#N)c1ccccc1	17005384	WVXFCXXGPGNGGX-SEYXRHQNSA-N	245.278	2.521	50	40	BFGB	
COc1cccc(-c2noc(CCCl)n2)c1	35676557	DHBBBHDPKBNAQV-UHFFFAOYSA-N	238.674	2.527	50	40	BFGB	
N#CC(C#N)=CNc1ccc(F)c(Cl)c1	125272	RPPSVKFWUADMLX-UHFFFAOYSA-N	221.622	2.822	50	40	BFGB	
CCCN(C(=O)CCl)C1=CCCCC1	4205476	HTLYURVLGGCYSW-UHFFFAOYSA-N	215.724	2.922	50	40	BFGB	
O=C(NCCCl)Nc1ccc2c(c1)CCC2	1623474	WUWJEVPZOURBII-UHFFFAOYSA-N	238.718	2.536	50	40	BFGB	
N#CC1=C(N)S[C@H]2c3ccccc3CC[C@H]12	4631857	APQYKRHRNWSRSO-PWSUYJOCSA-N	228.320	2.731	50	40	BFGB	
C/C(=N\NC(=O)c1cccc(C)c1)C1CC1	12341222	UWMAGQFXHTTZAE-GXDHUFHOSA-N	216.284	2.511	50	40	BFGB	
CCN(CC)c1ccc(/C=C\C=O)cc1	16998591	JXXOTBSUZDDHLT-WAYWQWQTSA-N	203.285	2.745	50	40	BFGB	
S=C=NCCCCCCN=C=S	1736493	VZZPYUKWXDLMGI-UHFFFAOYSA-N	200.332	2.752	50	40	BFGB	in-vitro
CCN(C(=O)CCl)[C@@H](C)c1ccc(F)cc1	37654207	WUXJUKPVASWMNM-VIFPVBQESA-N	243.709	2.974	50	40	BFGB	in-vitro
COc1ccc2c(c1)C(C=O)=CC(C)(C)CO2	38276660	FJTDJJRLZXTYOW-UHFFFAOYSA-N	232.279	2.696	50	40	BFGB	
O=C(N/N=C/[C@H]1C[C@H]2C=C[C@H]1C2)C1CCCCC1	102237217	OKUXOAZKYHVMTC-KHRHSHNISA-N	246.354	2.881	50	40	BFGB	
CCCOc1cccc(NC(=O)CCl)c1	13609035	IOBHIFFYTISMDX-UHFFFAOYSA-N	227.691	2.653	50	40	BFGB	
CC1=CC(=C(C#N)C#N)c2ccccc2O1	26771007	GBJXKRIRSDZFGG-UHFFFAOYSA-N	208.220	2.784	50	40	BFGB	
COc1ccccc1COCCCCl	40435279	UKBFNAFIUSTHIV-UHFFFAOYSA-N	214.692	2.841	50	40	BFGB	
O=C(CCCl)c1ccc(C2OCCO2)s1	43210349	FJQNDTNNSJKEJF-UHFFFAOYSA-N	246.715	2.605	50	40	BFGB	
C[C@@H](CBr)CC(F)(F)F	56961549	SFOPGIIIADAOND-SCSAIBSYSA-N	205.017	2.970	50	40	BFGB	in-vitro
CCCCNC(=O)/C(C#N)=C/c1ccc(C)s1	3322508	LLOKVDCEMFPXPC-DHZHZOJOSA-N	248.351	2.880	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1ccccc1OC(F)F	8855846	BAUCHDUGBXXPHF-ZCFIWIBFSA-N	249.644	2.854	50	40	BFGB	
O=C(Cl)CCc1ccnc2ccccc12	13281508	YXGJGRFUOOCAIO-UHFFFAOYSA-N	219.671	2.933	50	40	BFGB	
C=CCNC(=O)/C(C#N)=C\c1ccccc1Cl	38204928	GWXGHOHYHYJJFY-FLIBITNWSA-N	246.697	2.549	50	40	BFGB	
C=CCOC[C@H](Br)C(F)(F)F	82863680	JQIYNUIXTIOHDG-YFKPBYRVSA-N	233.027	2.515	50	40	BFGB	
O=C(NN=C1CCCCCC1)c1ccco1	5676873	GAELOULGPKMTAF-UHFFFAOYSA-N	220.272	2.720	50	40	BFGB	
CC(C)(C)c1ccc(CCN=C=O)cc1	19729091	PAVOLNYMSATEDV-UHFFFAOYSA-N	203.285	2.862	50	40	BFGB	
O=C(N=C=S)c1ccc(C(F)(F)F)cc1	37116141	ISSOJFYCPFSMEO-UHFFFAOYSA-N	231.198	2.948	50	40	BFGB	in-vitro
CCOc1ccc(C=C(C#N)C#N)c(OCC)c1	59465066	XVAROQKULIAJHF-UHFFFAOYSA-N	242.278	2.915	50	40	BFGB	
C[C@H](Br)C#Cc1ccccc1	196336454	PJKBUAHLJRBXIQ-VIFPVBQESA-N	209.086	2.822	50	40	BFGB	
CCO[P@](C)(=O)N(CCCl)CCCl	2044273	LJZBVSDEXGPBNX-ZDUSSCGKSA-N	248.090	2.625	50	40	BFGB	
Cc1sc2nc([C@H](C)Cl)[nH]c(=O)c2c1C	2615923	FUAYKDNIULHSBI-YFKPBYRVSA-N	242.731	2.901	50	40	BFGB	
CSc1ccccc1NC(=O)[C@H](C)Cl	2650125	JWZQNQRISJSEML-ZETCQYMHSA-N	229.732	2.974	50	40	BFGB	in-vitro
CC(C)c1ccc(-n2nnnc2CCl)cc1	36138831	LJUUYJXIDYXLPI-UHFFFAOYSA-N	236.706	2.525	50	40	BFGB	
O=C(Oc1ccc([N+](=O)[O-])cc1)c1cccs1	241615	QHJFYEJRQLKVEZ-UHFFFAOYSA-N	249.247	2.876	50	40	BFGB	
CC(C)(C)C(=O)/C(C#N)=C\Nc1ccc(O)cc1	5187011	HNOFDPRTHKXNKP-KTKRTIGZSA-N	244.294	2.827	50	40	BFGB	
CC(C)=CC1=C(C)[C@@H](C)[C@H]2C(=O)OC(=O)[C@@H]2C1	100472717	LCMBVMZMOYGTMT-YUSALJHKSA-N	234.295	2.625	50	40	BFGB	
Fc1ccc(-c2cn(CCl)cn2)cc1	140405159	QLVVSMRLEBCNAC-UHFFFAOYSA-N	210.639	2.886	50	40	BFGB	
C#CCOc1ccc(/C=C/C#N)cc1Cl	33658878	XNKAKUZBTPOTLC-ONEGZZNKSA-N	217.655	2.889	50	40	BFGB	
O=C(/C=C/c1ccco1)NNc1ccc(F)cc1	45971430	GRLJNNOLJGPJBM-BQYQJAHWSA-N	246.241	2.575	50	40	BFGB	
O=C(O)CCCCC[C@@H](F)CBr	98174869	QVBGIWBNIKQLNW-SSDOTTSWSA-N	241.100	2.755	50	40	BFGB	
Cc1ccccc1[PH](=O)c1ccccc1C	100104407	BWCBFYRNWOIXIB-UHFFFAOYSA-N	230.247	2.814	50	40	BFGB	
COc1cc(Cl)cc(/C=C(\C)C=O)c1O	40544619	MCCHWJXKZBINPN-XVNBXDOJSA-N	226.659	2.656	50	40	BFGB	
CC1=CC(=O)C=C[C@]1(C)C(Cl)Cl	547005	UVJDEXDQIXWVCK-VIFPVBQESA-N	205.084	2.882	50	40	BFGB	biogenic
CCOc1ccc(C(=O)[C@@H](C)Cl)cc1	3394168	LAMNMHPSWYPAHR-MRVPVSSYSA-N	212.676	2.895	50	40	BFGB	in-vitro
COc1nc(C(F)(F)F)ccc1CCl	90555673	KUBNMKJHVGZTRK-UHFFFAOYSA-N	225.597	2.848	50	40	BFGB	
Cc1ccc(C(=O)[C@@H](C)Cl)cc1F	238426325	FTEQOULXRKUUOW-SSDOTTSWSA-N	200.640	2.944	50	40	BFGB	
FC(F)(F)C(Cl)(Cl)CCl	2379388	OMMADTGFNSRNEJ-UHFFFAOYSA-N	201.402	2.961	50	40	BFGB	in-vitro
CCCCCCC/C=C/[C@@H]1CC(=O)OC1=O	103672095	FGQUIQAGZLBOGL-ANYFNZRUSA-N	224.300	2.993	50	40	BFGB	
COCCC(CCOC)S(F)(F)F	584578747	XBNQWGLRLXDXAA-UHFFFAOYSA-N	220.256	2.886	50	40	BFGB	
CN(C(=O)CCl)[C@H]1CCCc2ccccc21	4205106	FLTYMFJRZLOGIY-LBPRGKRZSA-N	237.730	2.761	50	40	BFGB	
Cn1cccc1/C=C(\C#N)C(=O)c1ccccc1	7007321	VSYCBOXJGMYQJK-JLHYYAGUSA-N	236.274	2.815	50	40	BFGB	
CC[C@@H](C)/C(C)=N/NC(=O)c1cccs1	95950573	IINRMXDVYHNNPT-WLDSJTMESA-N	224.329	2.900	50	40	BFGB	
O=C(CN1CCCC[C@H]1Cl)c1ccccc1	1726875	PMTQYTQQNWZEIN-ZDUSSCGKSA-N	237.730	2.920	50	40	BFGB	
C[C@H](c1ccc(F)cc1)N(C)C(=O)CCl	12505034	CGHDTEQFSRLNFA-MRVPVSSYSA-N	229.682	2.584	50	40	BFGB	in-vitro
C[Si]1(C)CC[C@H](I)C1	584905812	CYCASAFEKWNECR-LURJTMIESA-N	240.160	2.902	50	40	BFGB	
Cc1ccccc1OCc1nnc(CCl)o1	20135830	WWFARPWGVBUMJI-UHFFFAOYSA-N	238.674	2.696	50	40	BFGB	
Cc1nc(/C(C#N)=C\c2csnn2)sc1C	96422191	LJTVBCXODPBVMP-BAQGIRSFSA-N	248.336	2.676	50	40	BFGB	
Cc1cc(NC=C(C#N)C#N)c2ccccc2n1	11535726	NIIINSDDLURTTK-UHFFFAOYSA-N	234.262	2.886	50	40	BFGB	
O=[N+]([O-])c1ccccc1-c1cn(CCl)cn1	199738445	KKOZKOXBKBWYQC-UHFFFAOYSA-N	237.646	2.655	50	40	BFGB	
CCCCS(=O)(=O)CCCCCCl	1725614	LBBLOMCQNFRZSP-UHFFFAOYSA-N	226.769	2.610	50	40	BFGB	
C[C@H](Cl)C(=O)N1CCSc2ccccc21	37389593	ZJGGQZFOKULPEK-QMMMGPOBSA-N	241.743	2.753	50	40	BFGB	in-vitro
CCCCCC/C=N\NC(=O)OCC	104373094	WPRGWQJVHRRPQD-LUAWRHEFSA-N	200.282	2.689	50	40	BFGB	
C=CCn1c(C)cc(C(=O)CCl)c1C	3268272	OPQPMUYFVRBHLW-UHFFFAOYSA-N	211.692	2.712	50	40	BFGB	in-vitro
COc1ccc(C(=O)CCl)c(Cl)c1	36767285	TYYJJFSXSGEJBJ-UHFFFAOYSA-N	219.067	2.770	50	40	BFGB	
O=C=Nc1c(F)cccc1Br	75843809	LAFMBHQTZIYGFR-UHFFFAOYSA-N	216.009	2.556	50	40	BFGB	
O=C(Cl)C[C@H](C(=O)Cl)c1ccccc1	100687952	ZPUAMJJTEZWBOH-QMMMGPOBSA-N	231.078	2.691	50	40	BFGB	
C#C[C@H](C)[P@@](=O)(OC)O[Si](C)(C)C	205482978	FLFJTBNHGKGLLY-QPUJVOFHSA-N	220.281	2.699	50	40	BFGB	
Cc1ccccc1C(=O)N/N=C/c1cccs1	585267	WKMZSIUVNZHKFY-NTEUORMPSA-N	244.319	2.820	50	40	BFGB	
Fc1cccc(F)c1C1=NO[C@H](CCl)C1	68576433	CPNPNFBNLASJFJ-LURJTMIESA-N	231.629	2.697	50	40	BFGB	in-vitro
CC(C)(C)[Si](C)(C)OCC1CCN(N)CC1	206348938	QIQUNWVBBZZLRP-UHFFFAOYSA-N	244.455	2.594	50	40	BFGB	
C/C(=C\C#N)N(C)Cc1ccc(Cl)nc1	21983871	XTRWFHLAFNCDLJ-WEVVVXLNSA-N	221.691	2.594	50	40	BFGB	
CC1=C/C(=C2/N=C(N(C)C)SS2)C(C)=N1	31969877	WVMUNXNCYXJFQU-CMDGGOBGSA-N	239.369	2.889	50	40	BFGB	
CC1(C)COC(C)(CCCCl)OC1	39419635	LESDKFYPLUGGMG-UHFFFAOYSA-N	206.713	2.795	50	40	BFGB	
S=C=Nc1cncc(Br)c1	237970489	JVOZIBRHYMNYDL-UHFFFAOYSA-N	215.075	2.578	50	40	BFGB	
C[C@@H](Br)[C@H](C)CBr	196276260	BUSRMHUIGFKVAM-RFZPGFLSSA-N	229.943	2.801	50	40	BFGB	
CCCCCC/C(C)=C(/C#N)C(=O)OC	1714000	LIMZGYILLAMSAD-KHPPLWFESA-N	209.289	2.970	50	40	BFGB	
FC(F)(F)c1cc(CBr)ccn1	85210703	VWTBXNAMQSCYSL-UHFFFAOYSA-N	240.022	2.995	50	40	BFGB	in-vitro
COc1c(C(=O)Cl)cc(C)c(C)c1[N+](=O)[O-]	57340076	ZSUAGOPNRFMYHO-UHFFFAOYSA-N	243.646	2.599	50	40	BFGB	
ClCc1nnc(-c2ccccc2)s1	82049720	ZCKLQRJGNGUAER-UHFFFAOYSA-N	210.689	2.944	50	40	BFGB	in-vitro
C[Si](C)(C)OC(=O)C(Cl)(Cl)Cl	170173329	HAIZQIKYAKUOBN-UHFFFAOYSA-N	235.570	2.735	50	40	BFGB	
O=C(NNc1ccccc1)Nc1ccccc1F	7002438	WSRQKWSHDBEKHD-UHFFFAOYSA-N	245.257	2.974	50	40	BFGB	
ClC[C@H]1CO[C@H](/C=C/c2ccccc2)O1	38195888	LTJFSXKYSVJBLM-KZQRZKTQSA-N	224.687	2.680	50	40	BFGB	
Cc1cc(-c2csc(CCl)n2)n(C)n1	96528182	FQAQCMWIZVACNU-UHFFFAOYSA-N	227.720	2.591	50	40	BFGB	
CC/C(=N/NC(N)=O)C1=C[C@@]2(C)CC[C@H]1C2(C)C	100363209	GYIQVZBYGRXYFN-UFGRBFIRSA-N	249.358	2.803	50	40	BFGB	
O=C(N/N=C/c1ccsc1)c1ccccc1F	3527135	JGTZIEZVAAFSIE-VGOFMYFVSA-N	248.282	2.651	50	40	BFGB	
Cc1ccc2c(CCl)ccc(O)c2n1	3850755	JFKMGPGLTLNWEP-UHFFFAOYSA-N	207.660	2.988	50	40	BFGB	biogenic,in-vitro
CCCOC[C@H](Br)C(F)(F)F	82863692	KEUBCDSTESNEHG-YFKPBYRVSA-N	235.043	2.739	50	40	BFGB	
FCCOc1ccccc1CBr	87776043	FKXPJRSDCRIOKA-UHFFFAOYSA-N	233.080	2.930	50	40	BFGB	
CCCN(C(=O)CCl)c1cccc(OC)c1	199755829	VAUXXMYFPJOUEZ-UHFFFAOYSA-N	241.718	2.677	50	40	BFGB	
C[Si]1(C)CC[C@@H](I)C1	584905813	CYCASAFEKWNECR-ZCFIWIBFSA-N	240.160	2.902	50	40	BFGB	
CCOC(=O)[C@@H](Cc1cccc(C)c1)SC#N	2923511	HQQQAVJEFGOMJX-GFCCVEGCSA-N	249.335	2.684	50	40	BFGB	
CC(=O)N/N=C(\C)c1cccc(C(F)(F)F)c1	5417941	FOLAHIFBRXXPNK-VIZOYTHASA-N	244.216	2.566	50	40	BFGB	
C[C@H](Cl)C(=O)c1ccc(F)cc1F	12504942	QDXQWKIKBKUTRB-YFKPBYRVSA-N	204.603	2.775	50	40	BFGB	in-vitro
O=C1C[C@@H](c2ccc(CCl)c(F)c2)CCN1	199776021	FOQSDJLOOBJKQM-VIFPVBQESA-N	241.693	2.558	50	40	BFGB	
CC(/C=C/c1ccccc1)=C(/C#N)[N+](=O)[O-]	5620515	OCKMXNFBOBMTBR-DCXZXJRMSA-N	214.224	2.774	50	40	BFGB	
O=C/C=C\c1ccc(OC(F)(F)F)cc1	118022302	GGNLWQJCNHVNJG-UPHRSURJSA-N	216.158	2.797	50	40	BFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1cccs1	408810843	JSKCTKPQPAXADU-HZAKCSEPSA-N	234.324	2.570	50	40	BFGB	
COc1ccc(O[C@H](C)CBr)cc1	41291827	OZWWTQQWESNJCJ-MRVPVSSYSA-N	245.116	2.857	50	40	BFGB	
O=C(O)C12C[C@H]3CC(C[C@@H](C3)C1)[C@@H]2Cl	108424398	QNJGTYRBSMIEHN-AYIJYCAOSA-N	214.692	2.505	50	40	BFGB	
C[C@H]1C[C@H](OC(=O)CCl)CC(C)(C)C1	1696665	DRHNFPBZFRIGQN-IUCAKERBSA-N	218.724	2.983	50	40	BFGB	
CC(C)C/C(=N/NC(N)=O)C1=CCCCC1	4983886	RNWLUCJQVQCVMZ-KAMYIIQDSA-N	223.320	2.557	50	40	BFGB	
N#CC1=Cc2ccc(-c3ccccc3)n2C1=N	6053411	KXZVQRXABCUZND-UHFFFAOYSA-N	219.247	2.901	50	40	BFGB	
FC(F)(F)C[C@H](Cl)Br	100036718	HHORFCCGNBAAOU-REOHCLBHSA-N	211.408	2.899	50	40	BFGB	in-vitro
CC1=C(C#N)C(C)(C)C(C#N)=C(C)N1C	1563924	CNTGWJAHTKDGOD-UHFFFAOYSA-N	201.273	2.553	50	40	BFGB	
C[C@H](CCBr)C(=O)OC(C)(C)C	117539134	ANVAROJPEJVBHI-SSDOTTSWSA-N	237.137	2.749	50	40	BFGB	
CCCC[Si](C)(C)OC[C@@H](N)CC	195754472	RCWOTAWSTYVJBI-JTQLQIEISA-N	203.402	2.746	50	40	BFGB	in-vitro
CCCCOC(=O)[C@H](Br)CC	1586470	DKZLMRKANVHJGG-SSDOTTSWSA-N	223.110	2.503	50	40	BFGB	
Cc1ccccc1OC[C@@H](Cl)CN(C)C	1700939	GFXVYQCKHLWZFK-NSHDSACASA-N	227.735	2.543	50	40	BFGB	
O[C@H](CBr)c1ccc(Cl)cc1	2042496	OARLXKUTYSMNRK-MRVPVSSYSA-N	235.508	2.768	50	40	BFGB	
BrC[C@H]1CCCN(CC2CC2)C1	87757169	PKQGKSNKPYNLIR-SNVBAGLBSA-N	232.165	2.503	50	40	BFGB	
CSc1cccc(C(=O)CCl)c1	95917246	DIPCDJFXEFAHPT-UHFFFAOYSA-N	200.690	2.830	50	40	BFGB	
CCOC(=O)/C(C#N)=C/c1cc(C)sc1C	137416	IREREJRREFFZKD-IZZDOVSWSA-N	235.308	2.835	50	40	BFGB	
CC/C(=N/NC(N)=O)C1=C[C@@]2(C)CC[C@@H]1C2(C)C	4267021	GYIQVZBYGRXYFN-QCIJBXDRSA-N	249.358	2.803	50	40	BFGB	
CC1(C)[C@H]2CC(=O)[C@]1(C)[C@@H](Br)C2	11757602	HZHUVUVILWOHBY-FWWHASMVSA-N	231.133	2.775	50	40	BFGB	
Cc1ccc2c(c1)sc1nnc(CCl)n12	26443971	OCJSWIDSZZNQPK-UHFFFAOYSA-N	237.715	2.991	50	40	BFGB	
O=C(N/N=C\c1ccccc1)c1ccc(F)cc1	33303396	WFTMUPMNCOTYAC-YBEGLDIGSA-N	242.253	2.590	50	40	BFGB	
CCc1ccc(C#CCBr)cc1	95632167	KGEQSQQLZBBEBA-UHFFFAOYSA-N	223.113	2.995	50	40	BFGB	
O=C(N/N=C\c1cccc2ccccc12)C1CC1	4805020	WBCUJOYFTSTHAO-YBEGLDIGSA-N	238.290	2.700	50	40	BFGB	
Cc1cc(/C=C(/C#N)C(N)=S)c(C)s1	12410546	AUWMPTPFBITDBV-WTKPLQERSA-N	222.338	2.558	50	40	BFGB	
O=C(Cl)Cc1cc(F)ccc1Cl	95704873	ZPJNESGHLYIALN-UHFFFAOYSA-N	207.031	2.787	50	40	BFGB	in-vitro
CC[C@H](CNC(=O)CCl)c1ccccc1	4206107	YCQOTGXLJFHXJH-SNVBAGLBSA-N	225.719	2.535	50	40	BFGB	in-vitro
COC(=O)N/N=C1\C[C@H]2CC[C@@]1(C)C2(C)C	100816597	CJCATPWPONFNRW-UVKDDPHLSA-N	224.304	2.545	50	40	BFGB	
CC(C)C/C=N/NC(=O)c1ccc(N(C)C)cc1	4116026	YDUZOJDCRYLPPO-XNTDXEJSSA-N	247.342	2.514	50	40	BFGB	
O=C(O)[C@H](CCBr)c1ccccc1	12357223	XUHOQWJGOZLWST-SECBINFHSA-N	243.100	2.640	50	40	BFGB	
ClCc1nnc(-c2c[nH]c3ccccc23)o1	22152833	PLAVDGHYEYLDLD-UHFFFAOYSA-N	233.658	2.957	50	40	BFGB	
COc1ccc(C(=O)[C@H](C)Cl)cc1C	32012728	ZICCSFJFDIKPGO-QMMMGPOBSA-N	212.676	2.814	50	40	BFGB	
ClCC(CCl)OC[C@@H](Cl)CCl	72399694	CGTOLZSVWKPITO-YFKPBYRVSA-N	239.957	2.695	50	40	BFGB	in-vitro
CC(C)C(=O)/C(C#N)=C1\Nc2ccccc2N1C	100812949	OANQABQKSKXOQJ-GXDHUFHOSA-N	241.294	2.509	50	40	BFGB	
O[C@@H](CBr)c1ccc(Cl)cc1	1671532	OARLXKUTYSMNRK-QMMMGPOBSA-N	235.508	2.768	50	40	BFGB	
Cc1cc(C(=O)N/N=C2/C[C@@H]3CC[C@H]2C3)cs1	16973578	JOZQPCNFHUMXHF-XPCIQDFASA-N	248.351	2.962	50	40	BFGB	
CCOc1ccc(-c2noc(CCl)n2)cc1	20268769	VIBXDMOJWYLCEF-UHFFFAOYSA-N	238.674	2.874	50	40	BFGB	
CC[C@H](C)OC(=O)N(CCCl)CCCl	2041845	ZXLUSAIHGOFEOC-QMMMGPOBSA-N	242.146	2.701	50	40	BFGB	
COc1cc(CBr)cc(F)c1F	2539973	YBSQDVSUHYQQLV-UHFFFAOYSA-N	237.043	2.868	50	40	BFGB	
N#CC(C#N)=Cc1cc(Br)ccc1O	5567690	XIRPRMWBPMJXEG-UHFFFAOYSA-N	249.067	2.585	50	40	BFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccccc1	5656275	HRFLOAFRVHMELO-GJSJWPQCSA-N	228.295	2.508	50	40	BFGB	
N#CSc1ccc(-c2nnc(S)o2)cc1	5997160	MBSMTOVPISHZRU-UHFFFAOYSA-N	235.293	2.598	50	40	BFGB	
CC1(C)Cc2cccc(C(=O)Cl)c2O1	4277309	LSSXEVHVRBTNAQ-UHFFFAOYSA-N	210.660	2.779	50	40	BFGB	in-vitro
Cc1cc2c(=O)[nH]c(CCl)nc2cc1Cl	36439743	IUBLKKBZPLTKII-UHFFFAOYSA-N	243.093	2.624	50	40	BFGB	
N#C/C(C(=O)c1ccccc1)=C1\CCCCCN1	100670253	NYFISKWSOTYSIX-YPKPFQOOSA-N	240.306	2.811	50	40	BFGB	
CCOC(=O)/C(O)=C(/C#N)c1ccc(C)c(C)c1	104055592	RGXNMCKUDPGCJB-OUKQBFOZSA-N	245.278	2.659	50	40	BFGB	
O=C(CCl)c1ccc(Cl)cc1F	39055415	FYZHQRGIHWWQLB-UHFFFAOYSA-N	207.031	2.901	50	40	BFGB	
CCOc1ccccc1/C=C/C(=O)Cl	39395180	TZHREHNGCYHEKU-BQYQJAHWSA-N	210.660	2.864	50	40	BFGB	
C[C@@H]1CCC/C(=N/NC(=O)c2ccccc2O)C1	112418	IWTGDFWCCOIOKE-BXSDCGNMSA-N	246.310	2.688	50	40	BFGB	
O=C(NNc1ccc(F)cc1)Nc1ccccc1	8943550	YIXVILOGSBHCOY-UHFFFAOYSA-N	245.257	2.974	50	40	BFGB	
NCc1ccc(CCCBr)c(F)c1	199523274	FDPIDMMCHGDOMS-UHFFFAOYSA-N	246.123	2.612	50	40	BFGB	
CC(C)(C)C(=O)C(C#N)=C1Nc2ccccc2N1	4037276	DSUCFHILNUWEEL-UHFFFAOYSA-N	241.294	2.874	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@]1(C(=O)O)[C@@H]2Br	100319149	OBHCEFJZOKLDIF-BDODKLCJSA-N	247.132	2.661	50	40	BFGB	
C[C@H]1C[C@@H](OC(=O)CCl)CC(C)(C)C1	1696663	DRHNFPBZFRIGQN-DTWKUNHWSA-N	218.724	2.983	50	40	BFGB	
Cc1ccc([N+](=O)[O-])c(CBr)c1	34153336	LBNASNUBBZAFBL-UHFFFAOYSA-N	230.061	2.798	50	40	BFGB	
COc1ccc(C(C)(C)C(=O)Cl)cc1	11833627	GDMBIANFVAGWAI-UHFFFAOYSA-N	212.676	2.738	50	40	BFGB	
O=C(CCCCCl)Nc1ccc(O)cc1	35433070	RETXGDMRPRRCJF-UHFFFAOYSA-N	227.691	2.740	50	40	BFGB	
N#C/C(=C\c1ccc(O)c(O)c1)c1ccccn1	5560609	GGWBZQOPPYQVFB-YRNVUSSQSA-N	238.246	2.557	50	40	BFGB	
Cc1ccc2c(c1)C[C@H](CBr)O2	5782033	KUDMJKVKBRFFND-SECBINFHSA-N	227.101	2.693	50	40	BFGB	
COC(=O)c1cccc(C(=O)CCCCl)c1	390489130	OTQCUXPNARQERZ-UHFFFAOYSA-N	240.686	2.675	50	40	BFGB	
CCCCC(=O)N/N=C/c1ccc(Cl)cc1	1704797	QUKRPLRAZKCJLR-NTEUORMPSA-N	238.718	2.980	50	40	BFGB	
CC1(C)C[C@@H]2C=C(C=O)[C@]3(C=O)C[C@]3(C)[C@@H]2C1	5574019	PJAAESPGJOSQGZ-QMGNLALYSA-N	232.323	2.773	50	40	BFGB	biogenic
CC[C@H](Oc1ccc(C)cc1)C(=O)Cl	40451364	XWALUWSNMHPKSG-JTQLQIEISA-N	212.676	2.918	50	40	BFGB	
Cc1cc(CCl)cnc1Br	72221907	DZNQZWUWBJZADL-UHFFFAOYSA-N	220.497	2.891	50	40	BFGB	
Cl[C@H]1[C@@H]2CC[C@H]1N(Cc1ccccc1)C2	79030547	KFHNXKUXFXKYJB-UPJWGTAASA-N	221.731	2.888	50	40	BFGB	
COc1ccc2nc(C(=O)CCl)sc2c1	228961875	LRVCFGUDOMGOAE-UHFFFAOYSA-N	241.699	2.726	50	40	BFGB	
O=C(CCl)Nc1ccc(-c2cnco2)cc1	159722	PXGFBWUIYDSBFQ-UHFFFAOYSA-N	236.658	2.519	50	40	BFGB	
Fc1ccccc1-c1nnc(CCl)o1	9280311	KMTDGSLZOLNXOM-UHFFFAOYSA-N	212.611	2.615	50	40	BFGB	in-vitro
COc1ccc(C)cc1C(=O)[C@H](C)Cl	31893360	JVOSXOQMCWGIKZ-QMMMGPOBSA-N	212.676	2.814	50	40	BFGB	
Cc1cccc(C(=O)N/N=C/c2ccccc2)c1	498347	CXQLTVFOWNELLB-LFIBNONCSA-N	238.290	2.759	50	40	BFGB	
Cn1nc(CCl)cc1-c1cccs1	12370338	ODLZAEGCJDMPOT-UHFFFAOYSA-N	212.705	2.887	50	40	BFGB	in-vitro
CC(C)(C)c1ccc([C@@H]2CC(=O)OC2=O)cc1	103583361	DUSMMLGEBCIDDX-NSHDSACASA-N	232.279	2.541	50	40	BFGB	
CC(=O)Nc1sc(C)c(C)c1SC#N	497454	POOFBVLCOMUWSD-UHFFFAOYSA-N	226.326	2.897	50	40	BFGB	
Cc1ccc(/C=C(\C#N)C(=O)N2CCCC2)cc1	3268699	AHUBFLBBLXYBBU-GXDHUFHOSA-N	240.306	2.524	50	40	BFGB	
Cc1ccccc1NC(=O)CCBr	26438718	UMJLYDOJIZASSO-UHFFFAOYSA-N	242.116	2.719	50	40	BFGB	
C[C@H](CCl)[C@@H](C)NC(=O)[C@@H]1CCCCS1	228794128	FJWJWMDCYDGDJF-BBBLOLIVSA-N	249.807	2.652	50	40	BFGB	
CCOC(=O)c1ccc(C(=O)[C@H](C)Cl)cc1	309217213	LRLNLTSYFVCXHB-QMMMGPOBSA-N	240.686	2.673	50	40	BFGB	
CCN(Cc1ccccc1)C(=O)[C@@H](C)Cl	6205427	RJTWLMRZWGTQQM-SNVBAGLBSA-N	225.719	2.662	50	40	BFGB	
CO[C@@H]1CCCC[C@H]1CCBr	85396022	VWTAYUIGWZRNFL-DTWKUNHWSA-N	221.138	2.977	50	40	BFGB	
CC(=C(C#N)C#N)c1c[nH]c2ccccc12	368442	NZGMASCRAJBDJL-UHFFFAOYSA-N	207.236	2.989	50	40	BFGB	
N#CC(C#N)=Cc1c[nH]nc1-c1ccccc1	4002896	RJEKDNFBYJMHQG-UHFFFAOYSA-N	220.235	2.507	50	40	BFGB	
O=Cc1cc(CBr)ccc1F	98210782	NFVUUCDJSGLSPZ-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
CO[C@H](CBr)c1ccccc1	1570142	XLUICHSZBNGJHF-SECBINFHSA-N	215.090	2.769	50	40	BFGB	in-vitro
ClCCSc1nc2ccccc2[nH]1	8813835	IUJHMOJEQDJOPP-UHFFFAOYSA-N	212.705	2.894	50	40	BFGB	
ClCc1nc2c(Cl)cccc2[nH]1	37444453	QFWBJAJMNAZCRY-UHFFFAOYSA-N	201.056	2.955	50	40	BFGB	
CC(=O)Oc1ccc(C(=O)CCCCl)cc1	204511758	OKJWWOBRFFABHN-UHFFFAOYSA-N	240.686	2.814	50	40	BFGB	
CCOC(=O)N/N=C(/C)[C@H]1C[C@@H]2CC[C@@H]1C2	102123552	AHHMMDWWIPBZFE-CCZGZQGLSA-N	224.304	2.545	50	40	BFGB	
CCN(CC)c1ccc(C=C(C#N)C#N)cc1	28397	NESSTUFHMYIRKI-UHFFFAOYSA-N	225.295	2.963	50	40	BFGB	
ClCCC[C@H]1COc2ccccc2O1	6576156	SDQZGFJYKGIPLO-VIFPVBQESA-N	212.676	2.845	50	40	BFGB	
CCOC(=O)CC(C)(C)CCBr	34315982	LYUGLLMDRXJRGN-UHFFFAOYSA-N	237.137	2.751	50	40	BFGB	
Cc1ccc([C@H](C)NC(=O)CCl)cc1C	3888179	BBIQIWUWCIMXDN-JTQLQIEISA-N	225.719	2.719	50	40	BFGB	in-vitro
C/C(=N/NC(=O)c1ccccc1O)C(C)(C)C	13896141	KZOAOOUCRYACKD-ZROIWOOFSA-N	234.299	2.544	50	40	BFGB	
N#C/C(=C\c1ccccn1)C(=O)c1ccccc1	59399105	SVTAUSWVWVSGGF-JLHYYAGUSA-N	234.258	2.871	50	40	BFGB	
Cc1ccc(C(=O)CBr)c(F)c1F	71790214	ISFMNZDYUUEHJC-UHFFFAOYSA-N	249.054	2.851	50	40	BFGB	
C=CC[Si](CC=C)(OCC)OCC	195760118	NWQIWFOQNHTTIA-UHFFFAOYSA-N	200.354	2.874	50	40	BFGB	
O=[N+]([O-])c1cccc(-c2cn(CCl)cn2)c1	199738484	PBICFANYRRPVNS-UHFFFAOYSA-N	237.646	2.655	50	40	BFGB	
CCN(C(=O)[C@H](C)Cl)c1ccccc1	3379276	GGSOFYRMISJWQI-VIFPVBQESA-N	211.692	2.667	50	40	BFGB	in-vitro
CC(=O)N(C)/N=N/c1ccc(Cl)cc1	18030928	ZEWLGAIPFJGEOQ-VAWYXSNFSA-N	211.652	2.817	50	40	BFGB	
ClCc1nnn(-c2ccccc2)c1CCl	100020828	BTKTXRXEFISTMT-UHFFFAOYSA-N	242.109	2.745	50	40	BFGB	
Cc1cccc(CCI)c1	140044207	XMVAPTOWZNYJEY-UHFFFAOYSA-N	246.091	2.973	50	40	BFGB	
Cc1ccc(C)c(/C=C(\C#N)C(=O)NC(C)C)c1	3616660	DGFGHVLFDAKEBU-RIYZIHGNSA-N	242.322	2.735	50	40	BFGB	
CC(C)N(C(=O)CCl)[C@H](C)c1nccs1	79436218	CAWUVXXMPVVPNE-MRVPVSSYSA-N	246.763	2.680	50	40	BFGB	
O=C(Cl)Cc1cccc(Cl)c1F	98213454	PCQNYSRRBKDTLY-UHFFFAOYSA-N	207.031	2.787	50	40	BFGB	in-vitro
Cc1nc(-c2ccc(CCl)cc2)no1	167007944	AMSKPRZTLKQUMC-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	
COc1ccc2c(C(=O)Cl)c[nH]c2c1	199564871	QQJHGCVFANKAKK-UHFFFAOYSA-N	209.632	2.556	50	40	BFGB	
CC(=O)OCCCCCCBr	2392159	IMSPZLCTPSXORJ-UHFFFAOYSA-N	223.110	2.505	50	40	BFGB	
CCN(Cc1ccccc1Cl)C(=O)CCl	37501651	OEFWUGPDXOICOL-UHFFFAOYSA-N	246.137	2.927	50	40	BFGB	
O=C(CCBr)Nc1ccc(F)cc1	40538391	QHRZLTPFIFOPFT-UHFFFAOYSA-N	246.079	2.549	50	40	BFGB	in-vitro
O=C(Cl)c1n[nH]c2ccc(Cl)cc12	199795794	AOHJICKOCOSCEU-UHFFFAOYSA-N	215.039	2.595	50	40	BFGB	
N#CC1=Cc2cc(Br)ccc2OC1	2001803	SIAGUJHXCCKDQM-UHFFFAOYSA-N	236.068	2.748	50	40	BFGB	in-vitro
CCOc1ccc(-c2nc(CCl)no2)cc1	20285094	SXFUGRVGPFQLKO-UHFFFAOYSA-N	238.674	2.874	50	40	BFGB	
CC(C)C(=O)/C(C#N)=C\c1ccc(C#N)cc1	40549589	DLRCWNHNGCJVLW-QPEQYQDCSA-N	224.263	2.690	50	40	BFGB	
COC[C@@H](C)n1c(C)cc(C(=O)CCl)c1C	3886208	XGSDKZPTNPJMEY-SECBINFHSA-N	243.734	2.734	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@@H]1C[C@@H]2C=C[C@H]1C2	4646861	NUPFPBLLUREADH-JUZJAFBLSA-N	244.294	2.516	50	40	BFGB	
Cn1nc(-c2ccccc2)cc1CCl	12370326	IWLXERDRDLVWMR-UHFFFAOYSA-N	206.676	2.826	50	40	BFGB	
C/C=C1/C[C@](C)(CC)C(C#N)(C#N)C(N)=C1C#N	31667527	RNEIFOKJVYECPL-FSIMMPEJSA-N	240.310	2.523	50	40	BFGB	
Fc1cccc(CCBr)c1F	69641026	SWRNHMXIOFDOLQ-UHFFFAOYSA-N	221.044	2.902	50	40	BFGB	in-vitro
C[C@H](Cl)C(=O)c1ccc(F)c(F)c1	3337397	JKODLKJWJRDZCT-YFKPBYRVSA-N	204.603	2.775	50	40	BFGB	in-vitro
CSC(=O)NNc1nc2ccccc2s1	5640976	HRSILOJKUFBOML-UHFFFAOYSA-N	239.325	2.696	50	40	BFGB	
CCOC(=O)/C(O)=C(/C#N)c1ccc(CC)cc1	104056329	KQWKTRHYVYTSQU-OUKQBFOZSA-N	245.278	2.605	50	40	BFGB	
C[C@H]1c2ccccc2N(C(=O)CCl)[C@H]1C	39222709	TURJCTSKXKNFDH-BDAKNGLRSA-N	223.703	2.764	50	40	BFGB	
COc1cccc2ccc(CCl)nc12	87780918	PQDXVFTWXOMCOL-UHFFFAOYSA-N	207.660	2.982	50	40	BFGB	
CCCCO[C@@H](C)OCCBr	139701870	CULMCUAWEKPMJV-MRVPVSSYSA-N	225.126	2.561	50	40	BFGB	
CC(C)[C@@H](NC(=O)CCl)c1ccc(F)cc1	12505012	JOQZXBVOQPSCHQ-GFCCVEGCSA-N	243.709	2.878	50	40	BFGB	
O=C(CCl)Cc1cccc(Cl)c1	19506990	SHMQUTZAYYIMLM-UHFFFAOYSA-N	203.068	2.690	50	40	BFGB	
O[C@@H](CCl)CCc1ccc(Cl)cc1	40442812	VMGHYAYPTGFWEV-SNVBAGLBSA-N	219.111	2.872	50	40	BFGB	
Fc1cc(F)cc(Cn2cncc2CCl)c1	409423283	PNRCNMBZZMLKKF-UHFFFAOYSA-N	242.656	2.948	50	40	BFGB	
N#CC/C(C#N)=C/OC(=O)c1ccc(Cl)cc1	6512269	IKGPJLZJGKWXSP-HJWRWDBZSA-N	246.653	2.818	50	40	BFGB	
Cc1cc2oc(=O)cc(CCl)c2cc1F	85399402	ZEPUBBJSBXKGKE-UHFFFAOYSA-N	226.634	2.979	50	40	BFGB	
CCCCOC(=O)N(CCCl)CCCl	1634327	WLUUTTCGHDDDNU-UHFFFAOYSA-N	242.146	2.703	50	40	BFGB	
N#CC1=CCC[C@H](c2ccc([N+](=O)[O-])cc2)O1	4267456	LRLOPHNVOQJCTF-GFCCVEGCSA-N	230.223	2.854	50	40	BFGB	biogenic
C[C@@H](Cl)CN1C[C@H]2[C@H]3CC[C@H](C3)[C@@H]2C1	6491817	PCNSLISBMZJMLK-GCHJQGSQSA-N	213.752	2.592	50	40	BFGB	
O=C1c2ccccc2SC[C@H]1Br	6928014	OANMZAJUKVSPDC-SSDOTTSWSA-N	243.125	2.739	50	40	BFGB	
CCOC(=O)N/N=C(/C)[C@@H]1C[C@H]2CC[C@@H]1C2	36497090	AHHMMDWWIPBZFE-HUXWGFSMSA-N	224.304	2.545	50	40	BFGB	
C[C@@H](Cl)C(=O)OCCCc1ccccc1	8580374	YIRVLLJBAQFWIE-SNVBAGLBSA-N	226.703	2.790	50	40	BFGB	
Cc1ccc(F)c(NC(=O)[C@H](C)Cl)c1	20471861	IMUUSFZHQVHTGE-ZETCQYMHSA-N	215.655	2.700	50	40	BFGB	
Cc1ccc(CC(=O)CBr)cc1	84199282	LLGZHXMCSGSXOC-UHFFFAOYSA-N	227.101	2.502	50	40	BFGB	
Cc1ccc([C@@]2(C)OC[C@@H](CCl)O2)cc1	1689217	CJHIJQSTQLRGBP-NEPJUHHUSA-N	226.703	2.822	50	40	BFGB	
O=C(CCl)N1CC=C(c2ccccc2)CC1	4218520	YSEXRKIDWWQBJD-UHFFFAOYSA-N	235.714	2.541	50	40	BFGB	
COc1cc(F)ccc1CCBr	67176053	QONMBCKMZUHDQJ-UHFFFAOYSA-N	233.080	2.772	50	40	BFGB	in-vitro
COP(=O)(c1ccccc1)c1ccccc1	100046788	BHUMZHDFNOXAMC-UHFFFAOYSA-N	232.219	2.562	50	40	BFGB	
CCOc1ccc(C(=O)Cl)cc1F	95739462	UCONCHKYYQSSLV-UHFFFAOYSA-N	202.612	2.603	50	40	BFGB	
O=C(N/N=C/C1CCCCC1)c1ccc(O)cc1	4461921	KLFJDYLCZPWCHT-XNTDXEJSSA-N	246.310	2.688	50	40	BFGB	
CO[C@H](CCl)c1ccc([N+](=O)[O-])cc1	5998256	OWEDAINGZMBMLR-SECBINFHSA-N	215.636	2.521	50	40	BFGB	
C[C@@H](Cl)C(=O)Nc1ccc(C#N)c(Cl)c1	12504921	BLZVELGKALQDHW-ZCFIWIBFSA-N	243.093	2.777	50	40	BFGB	
NC(=O)N/N=C1\CCCCC1=C1CCCCC1	16931956	MMYYTXYUAXVXMZ-NTCAYCPXSA-N	235.331	2.845	50	40	BFGB	
O=C(Cl)[C@H](Cl)c1ccc(F)cc1	19772546	JVXVEVGYSVNGNT-SSDOTTSWSA-N	207.031	2.871	50	40	BFGB	
CC1(C)[C@H](Br)C1(Cl)Cl	104110615	JUMZHHPOVFVYMK-VKHMYHEASA-N	217.921	2.964	50	40	BFGB	
CN1C(=O)N(C)P1(Cl)(Cl)Cl	104162704	FYGDHYPQJPUHKT-UHFFFAOYSA-N	223.427	2.828	50	40	BFGB	
Cn1nc(-c2cccs2)cc1CCl	12370344	GQMRXNSYTBKJTB-UHFFFAOYSA-N	212.705	2.887	50	40	BFGB	in-vitro
N#CC1=C(N)c2ccccc2CC12CCCC2	19900865	QTZRVRCBWOSGJG-UHFFFAOYSA-N	224.307	2.996	50	40	BFGB	
CCC/C=N/NC(=O)CNc1ccc(C)c(C)c1	408731553	NQJHKVNFIRXZAC-LZYBPNLTSA-N	247.342	2.617	50	40	BFGB	
CCOC(=O)N/N=C/c1cccc2ccccc12	171971	ZIEALNVREIYYPG-XNTDXEJSSA-N	242.278	2.920	50	40	BFGB	
CCCC[C@H](CC)COC(=O)CCl	1576972	QZBQQHUYQKGPLQ-VIFPVBQESA-N	206.713	2.985	50	40	BFGB	
CC(C)c1ccc(OCC(=O)N=C=S)cc1	70461484	WZXBFCDOXFURLH-UHFFFAOYSA-N	235.308	2.818	50	40	BFGB	
Cc1cccc(NNC(=O)Cc2ccccc2)c1	3124434	KNOKABXAIVQNML-UHFFFAOYSA-N	240.306	2.681	50	40	BFGB	
CSc1ccc(NC(=O)[C@H](C)Cl)cc1	19423663	WCZJAFXSBVKDKF-ZETCQYMHSA-N	229.732	2.974	50	40	BFGB	in-vitro
C[C@]12CCCC[C@H]1[C@@H]2C(=O)N/N=C/c1ccco1	408720606	ADNITPNBNNDMQB-KMFFVQIVSA-N	246.310	2.556	50	40	BFGB	
CCc1ccc(CCBr)nc1	88190274	QULBPTXIKNIPJX-UHFFFAOYSA-N	214.106	2.581	50	40	BFGB	
Cc1c(/C=C(\C#N)c2ccccn2)cc(C#N)n1C	5659543	FCVCCKVOTHTJBH-NTUHNPAUSA-N	248.289	2.664	50	40	BFGB	
O=[N+]([O-])c1ccccc1OCCCCl	22176161	DKXKUILKIAMLSD-UHFFFAOYSA-N	215.636	2.603	50	40	BFGB	
COc1ccc(C)cc1C(=O)[C@@H](C)Cl	31893356	JVOSXOQMCWGIKZ-MRVPVSSYSA-N	212.676	2.814	50	40	BFGB	
Fc1ccc2nc(CCCCl)ncc2c1	396143866	XFYYQXJHUWVIGM-UHFFFAOYSA-N	224.666	2.940	50	40	BFGB	
CC[C@H](NC(=O)CCl)c1ccc(C)cc1	4204332	HFIHDKIZXHPSEV-NSHDSACASA-N	225.719	2.801	50	40	BFGB	in-vitro
CCCOc1ccccc1C=C(C#N)C#N	6936627	YWKJNQNUJQEVGT-UHFFFAOYSA-N	212.252	2.906	50	40	BFGB	
Cc1ccccc1[C@@H](C)NC(=O)[C@@H](C)Cl	37389517	JFQPHODKVGGOPX-NXEZZACHSA-N	225.719	2.800	50	40	BFGB	in-vitro
Br[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21	100182750	CKJQKEYRULLGMO-FHNUBNKASA-N	213.118	2.982	50	40	BFGB	
CSc1cccc(NC(=O)[C@H](C)Cl)c1	19487690	MNUYFLFMKCNQQM-ZETCQYMHSA-N	229.732	2.974	50	40	BFGB	in-vitro
CC(=O)Nc1ccc2onc(CCl)c2c1	40457366	GFXHMBFMBLTIFZ-UHFFFAOYSA-N	224.647	2.525	50	40	BFGB	
CC1(C)C[C@H](CBr)CCO1	85663557	WOYFLWORBWUVJY-SSDOTTSWSA-N	207.111	2.587	50	40	BFGB	
CC1(C)[C@@H]2Cc3c(ccc4c3C(=O)OC4=O)[C@@H]1C2	104232901	SGAGWFNOBCBBMB-HQJQHLMTSA-N	242.274	2.683	50	40	BFGB	
CC[C@H](C)NC(=O)/C(C#N)=C/c1ccc(F)cc1	255547834	UIYBDZMZJZKBFE-MJWAUXSNSA-N	246.285	2.647	50	40	BFGB	
Cc1ccccc1[C@H]1C=CC(C#N)=CN1C	4963716	MEODBDXANHGBQC-CQSZACIVSA-N	210.280	2.945	50	40	BFGB	
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H](NC(=O)CCl)C2	12504778	PYXCVNYPFHGKLE-PTRXPTGYSA-N	229.751	2.556	50	40	BFGB	
Cc1ccc(-n2nc(C)c(C(=O)Cl)n2)cc1C	57353064	RLYBCKVEPZSABD-UHFFFAOYSA-N	249.701	2.572	50	40	BFGB	
C[C@@H](CCBr)C(=O)OC(C)(C)C	117539131	ANVAROJPEJVBHI-ZETCQYMHSA-N	237.137	2.749	50	40	BFGB	
ClCCN[C@@H]1c2ccccc2C[C@@H]1Cl	1685672	CTZBHTNSQKDLIH-WDEREUQCSA-N	230.138	2.720	50	40	BFGB	
O=C(CCl)NCCc1cccc2ccccc12	32192136	MHEKVEIHVYANFA-UHFFFAOYSA-N	247.725	2.737	50	40	BFGB	
C=CC[C@H](C)/C(C)=C(/C#N)C(=O)OCC	1717287	OLYFJUDDJLWVEK-BLUPIXKYSA-N	207.273	2.602	50	40	BFGB	
C/C(=N/NC(=O)c1ccccc1)C(C)(C)C	13896558	NIFROTKXLYHWGV-UVTDQMKNSA-N	218.300	2.838	50	40	BFGB	
CO[Si](CCCCCCCl)(OC)OC	196940988	RFCIRPRPWWLXQT-UHFFFAOYSA-N	240.803	2.664	50	40	BFGB	
CC(C)NCCC[C@H](C)Br	1641748	ROHNEMVBUQWDSM-QMMMGPOBSA-N	208.143	2.548	50	40	BFGB	
O=C(OC(CCl)CCl)[C@@H]1CC=CCC1	5376484	IEMNUVORRAKSQZ-MRVPVSSYSA-N	237.126	2.732	50	40	BFGB	
CC1(C)[C@@H]2CC[C@]1(CC(=O)O)[C@H](Cl)C2	100133152	OXJNTOQBZAXOPC-XLDPMVHQSA-N	216.708	2.895	50	40	BFGB	in-vitro
O=C=Nc1cccc2c1C(=O)c1ccccc1-2	1673256	XVVQBWZPPNKESG-UHFFFAOYSA-N	221.215	2.865	50	40	BFGB	
Cc1ccc(CBr)c(Cl)n1	95628490	IFCQIVZDVGTMIX-UHFFFAOYSA-N	220.497	2.938	50	40	BFGB	in-vitro
CC[C@H](CC(C)C)C(=O)OCCCl	2042420	OQYBOEPNMNEOEU-SECBINFHSA-N	206.713	2.841	50	40	BFGB	
C#CCCCCCI	137359285	LKGBKWVJDUMCNZ-UHFFFAOYSA-N	222.069	2.615	50	40	BFGB	
COc1ccc(Cn2ccnc2CCl)cc1	494623	VMGWONQAHXFECW-UHFFFAOYSA-N	236.702	2.679	50	40	BFGB	
CC(C)=NNC(=O)c1ccccc1N=C(C)C	4613937	UVTILZGNXQAPPE-UHFFFAOYSA-N	231.299	2.925	50	40	BFGB	
CC(C)COc1ccc(CN=C=O)cc1	71509321	BPILZXNFTZZYJJ-UHFFFAOYSA-N	205.257	2.557	50	40	BFGB	
COc1ccc2[nH]cc(CCCl)c2c1	89203377	SIAJOGFYDBJNKH-UHFFFAOYSA-N	209.676	2.958	50	40	BFGB	
Cn1c(CCl)nc2cc(C(F)(F)F)cnc21	96510328	GCMUYJFWBKRWHB-UHFFFAOYSA-N	249.623	2.726	50	40	BFGB	
CC1(C)CCC[C@@]2(C)C=C(C=O)[C@@H](O)C[C@H]12	85884021	WJDOMTAMQVNRCX-SCRDCRAPSA-N	222.328	2.709	50	40	BFGB	biogenic
N#C/C(=C\c1ccc[nH]1)C(=O)c1ccccc1	5810714	TUKFFPXAFXRQFV-FMIVXFBMSA-N	222.247	2.805	50	40	BFGB	
COC(=O)N/N=C/CCC1CCCCC1	6640125	XERCJGNLSIUIFW-FMIVXFBMSA-N	212.293	2.689	50	40	BFGB	
Cc1cc(C(=O)[C@@H](C)Cl)ccc1F	31893337	WQJSKZAZMRVGRO-SSDOTTSWSA-N	200.640	2.944	50	40	BFGB	
ClCc1cn(-c2cccc(Cl)c2)nn1	52224962	ZBKXVWPJOASVOG-UHFFFAOYSA-N	228.082	2.660	50	40	BFGB	
Fc1ccccc1Cn1cncc1CCl	59980086	HDNRKEJSFKQEOY-UHFFFAOYSA-N	224.666	2.809	50	40	BFGB	
ClCc1cc(Cl)nc(CCl)n1	103581134	XVAMVIGJVDIUPD-UHFFFAOYSA-N	211.479	2.608	50	40	BFGB	
CCC(=O)NNc1nc2c(C)cc(C)cc2s1	251194	YVFPYDOQPYAYNZ-UHFFFAOYSA-N	249.339	2.766	50	40	BFGB	
FC(F)(F)[C@H](Cl)C(F)(F)Cl	63148407	XAHBEACGJQDUPF-PVQJCKRUSA-N	202.937	2.988	50	40	BFGB	
N#Cc1cc(CBr)cs1	66354553	ZCUZLOPAPSNDRY-UHFFFAOYSA-N	202.076	2.515	50	40	BFGB	
CC(C)=CC1=C(C)[C@H](C)[C@@H]2C(=O)OC(=O)[C@@H]2C1	70669864	LCMBVMZMOYGTMT-WCQGTBRESA-N	234.295	2.625	50	40	BFGB	biogenic
Cc1cccc(/C=N/NC(=O)c2ccoc2C)c1	232416	VPUKUBVLPVAYAC-OQLLNIDSSA-N	242.278	2.660	50	40	BFGB	
CN(C)c1cccc(CBr)c1	34729798	PCHZZAYPXZNJAC-UHFFFAOYSA-N	214.106	2.648	50	40	BFGB	in-vitro
C[C@H](Br)c1ccc(F)cn1	96515855	QRKKQOLMCQMFKC-YFKPBYRVSA-N	204.042	2.677	50	40	BFGB	
C[C@H]1CCC/C(=N\NC(=O)c2ccccc2O)C1	12588059	IWTGDFWCCOIOKE-MKNMWBPTSA-N	246.310	2.688	50	40	BFGB	
CC1=C[C@@](C)(C(Cl)Cl)C=CC1=O	384119	OVJHGAXYMVWABG-VIFPVBQESA-N	205.084	2.882	50	40	BFGB	
N#CC1=CN(Cc2ccc3c(c2)OCO3)C=CC1	1584652	TVTHFPTYILYFFE-UHFFFAOYSA-N	240.262	2.542	50	40	BFGB	
CC(C)(C)OC(=O)N/N=C/c1cccc(F)c1	3574716	MPSJKMNPYRSUDW-RIYZIHGNSA-N	238.262	2.684	50	40	BFGB	
CN1CC[C@H]2C[C@@H](Br)CC[C@@H]2C1	4277034	FQFNYAKOZPURLX-AEJSXWLSSA-N	232.165	2.502	50	40	BFGB	
Fc1cccc(F)c1C1=NO[C@@H](CCl)C1	68576436	CPNPNFBNLASJFJ-ZCFIWIBFSA-N	231.629	2.697	50	40	BFGB	in-vitro
COC(/C=C/Nc1ccccc1)=C(C#N)C#N	1387783	JECYADAYIQVRQB-BQYQJAHWSA-N	225.251	2.560	50	40	BFGB	
CCC(/C=N/NC(=O)c1cccc(C)c1O)CC	16973551	MGZOVVKQTGJKKW-OQLLNIDSSA-N	248.326	2.852	50	40	BFGB	
O=C(O)c1ccc(Cl)c(CBr)c1	66325691	JUJAOSCAZDKRGN-UHFFFAOYSA-N	249.491	2.933	50	40	BFGB	in-vitro
CCN(CC)c1ccc(CCl)c(C)n1	72224295	SEEPRDKJPGWQDS-UHFFFAOYSA-N	212.724	2.975	50	40	BFGB	
C[C@@]12CC[C@@H](COC1)[C@]2(C)CBr	106822333	BHVJSNVANTXHSG-AEJSXWLSSA-N	233.149	2.834	50	40	BFGB	
Cl[C@H](C[n+]1ccccc1)c1ccccc1	1641237	XZNPTWYSKYEXAT-CYBMUJFWSA-N	218.707	2.954	50	40	BFGB	
CCCC(=O)Nc1ccc(C(=O)CCl)cc1	3457856	DKPLZNHHNPLIRF-UHFFFAOYSA-N	239.702	2.847	50	40	BFGB	
CC1=C[C@]23CCCC[C@]2(C=C1C)C(=O)OC3=O	103935978	BDAXQJBYSKZQLN-KBPBESRZSA-N	232.279	2.523	50	40	BFGB	
CCOC(=O)/C(C#N)=C/c1cccc2[nH]ccc12	13572925	SMIOGTQOEBIFSE-DHZHZOJOSA-N	240.262	2.638	50	40	BFGB	
Cc1ccc(Cc2nc(CCl)no2)cc1	34974151	QUVALTIFGOACEN-UHFFFAOYSA-N	222.675	2.708	50	40	BFGB	
CCCCCCC/C=C/[C@H]1CC(=O)OC1=O	103672098	FGQUIQAGZLBOGL-FBOQAHMBSA-N	224.300	2.993	50	40	BFGB	
ClC[C@H]1CO[C@H](c2ccc(Cl)cc2)O1	1674893	PWUSSDSFKIJXBB-UWVGGRQHSA-N	233.094	2.993	50	40	BFGB	
C[C@@H]1CCC/C(=N\NC(=O)c2ccccc2)C1	5162927	QAYJBOJJNDSLEG-QORHXFOUSA-N	230.311	2.983	50	40	BFGB	
COc1cccc(-c2cn(CCl)cn2)c1	199738467	INBMRDTVCWCAMC-UHFFFAOYSA-N	222.675	2.755	50	40	BFGB	
CSc1cc(NC(=O)CCl)ccc1C	226233580	JOAXBRLSOITUQP-UHFFFAOYSA-N	229.732	2.894	50	40	BFGB	
O=C1OC(=O)c2ccccc2/C1=C\c1ccoc1	70686985	KDKSRFQWRGAOFD-KPKJPENVSA-N	240.214	2.517	50	40	BFGB	biogenic
CC[C@@H](C)OC(=O)OC(=O)O[C@H](C)CC	135887585	PRUGMAWKMXYGFZ-HTQZYQBOSA-N	218.249	2.873	50	40	BFGB	
COC(=O)/C(C#N)=C1/C[C@@H](C)CC(C)(C)C1	16608281	AWSRFULAAYSULB-ZAGORRGESA-N	221.300	2.826	50	40	BFGB	
Cc1[nH]c2ccc(O)cc2c1C(=O)Cl	199796635	FIEUEZRWBJRUDV-UHFFFAOYSA-N	209.632	2.561	50	40	BFGB	
C[C@]1(CBr)[C@H]2CC[C@@]1(C)[C@@H]2C(=O)O	218262535	VWSHQTXKIQEEDT-YIKMNZTOSA-N	247.132	2.518	50	40	BFGB	
COc1cc(F)ccc1C(=O)[C@@H](C)Cl	238354893	RHJDLRMFRMKIQH-ZCFIWIBFSA-N	216.639	2.644	50	40	BFGB	
Nc1ccc(SC(F)(F)[C@H](F)Cl)cn1	16158419	SCRPQERVNRVCFC-LURJTMIESA-N	242.653	2.883	50	40	BFGB	
CCOC(=O)N/N=C(/C)[C@H]1C[C@H]2CC[C@@H]1C2	36497092	AHHMMDWWIPBZFE-UUJLNPGCSA-N	224.304	2.545	50	40	BFGB	
ClC[C@H]1CCCN(c2ccc(Cl)nn2)C1	72202882	ZACPWYBDGKQDRB-MRVPVSSYSA-N	246.141	2.585	50	40	BFGB	
O=C1C(Cl)=C(c2ccccc2)[C@H]1Cl	2048339	OJXWQUDNDIYHMD-MRVPVSSYSA-N	213.063	2.827	50	40	BFGB	
Cc1ccc(C(=O)N/N=C/c2ccsc2)cc1	4422267	MXACOZAUQOJZOG-RIYZIHGNSA-N	244.319	2.820	50	40	BFGB	
Cc1ccc(C(=O)N/N=C2\CCC[C@H](C)C2)o1	5618417	MRCYVKVWIVUGBZ-YANUDECOSA-N	234.299	2.884	50	40	BFGB	
CCC(CC)=NNC(=O)c1cccc([N+](=O)[O-])c1	5791868	ILPGAIDFHSOKAL-UHFFFAOYSA-N	249.270	2.501	50	40	BFGB	
ClCC1=NCCc2c(Cl)cccc21	196845026	RHJIJKNZKYOTMB-UHFFFAOYSA-N	214.095	2.924	50	40	BFGB	
CC(C)(C)OC(=O)/C=C/CO[Si](C)(C)C	199531122	TWTCLAKFTDGFDZ-BQYQJAHWSA-N	230.380	2.736	50	40	BFGB	
N#Cc1ccccc1C(=O)CCCCl	221062167	PIEQBVJAXYCPAU-UHFFFAOYSA-N	207.660	2.760	50	40	BFGB	
COc1ccc(N=C=O)cc1OC1CCCC1	161563	VDXGNTYFJGXXAA-UHFFFAOYSA-N	233.267	2.984	50	40	BFGB	
O=C/C=C\c1ccc(C(F)(F)F)cc1	83309571	HYCDCKWWJCPUNT-UPHRSURJSA-N	200.159	2.918	50	40	BFGB	
C[C@]12CC[C@@H](CC1=O)[C@@]2(C)CBr	100011733	JOXACTPHKLKJNP-UJNFCWOMSA-N	231.133	2.777	50	40	BFGB	
Cl[C@@H]1[C@H]2CC[C@H]1N(Cc1ccccc1)C2	100194492	KFHNXKUXFXKYJB-YNEHKIRRSA-N	221.731	2.888	50	40	BFGB	
O=C=NCCCCCCCCCCN=C=O	111342163	VNMOIBZLSJDQEO-UHFFFAOYSA-N	224.304	2.779	50	40	BFGB	
CC(C)(C)[Si](C)(C)OCCCCN	195938181	DVHRNKRBIRBDTE-UHFFFAOYSA-N	203.402	2.747	50	40	BFGB	
O=C(OCCCl)c1ccccc1Cl	1586471	OPAWQQDDCKSJAC-UHFFFAOYSA-N	219.067	2.736	50	40	BFGB	
Cc1cccc(NC(=O)CCBr)c1	26438692	FSPRGKGYPOBKMN-UHFFFAOYSA-N	242.116	2.719	50	40	BFGB	
CC(=O)N/N=C/c1ccc(-c2ccc(F)cc2)o1	44059833	YUIHVGZYBMMGOW-OVCLIPMQSA-N	246.241	2.556	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@H]1CC[C@H](O)C1	196821630	NLXIOZRBFNUITF-UWVGGRQHSA-N	216.397	2.922	50	40	BFGB	
CC[C@H](Br)[C@@H](C)Br	1679995	LWBRXRHBXMVUEX-UHNVWZDZSA-N	229.943	2.943	50	40	BFGB	in-vitro
CC(C)=NNC(=O)c1ccc(Cl)s1	32578429	BREWOKDYYJENMB-UHFFFAOYSA-N	216.693	2.527	50	40	BFGB	
CC(=O)Nc1cc(Cl)ccc1C(=O)CCl	77269999	UTOPXRFTSBAYHI-UHFFFAOYSA-N	246.093	2.720	50	40	BFGB	in-vitro
C[C@@H]1CCCC/C1=N/NC(=O)c1ccccc1O	100152701	CRWYOXAYKHRBAT-ZYUPPKHXSA-N	246.310	2.688	50	40	BFGB	
CC(=O)O[C@@H]1C[C@H]2c3ccccc3[C@@H]1[C@@H]2Cl	5049099	NLHOTHYTGKMXGX-QNWHQSFQSA-N	236.698	2.810	50	40	BFGB	
ClCc1csc([C@H]2CCCO2)n1	83710566	DFFJFRZVYYPJAB-SSDOTTSWSA-N	203.694	2.733	50	40	BFGB	in-vitro
N#CSc1nnc(-c2ccc(Cl)cc2)o1	91695876	YDVPPSKRVXQNKQ-UHFFFAOYSA-N	237.671	2.963	50	40	BFGB	
CCOCCN(CCCl)Cc1ccccc1	82433902	IHVCRKSDSUJVFG-UHFFFAOYSA-N	241.762	2.764	50	40	BFGB	
O=S(=O)(c1ccccc1)[C@@H]1CCC[C@@H]1Cl	1700461	XKJNXALIQQIRQB-WDEREUQCSA-N	244.743	2.620	50	40	BFGB	
C[C@H](Cl)C(=O)NC[C@H](C)c1ccccc1	3434800	DNKIAYZEDJPQEY-UWVGGRQHSA-N	225.719	2.534	50	40	BFGB	
Cc1nn(CC(C)C)c(Cl)c1C=C(C#N)C#N	32751845	NOFWSVRSYWBTPE-UHFFFAOYSA-N	248.717	2.931	50	40	BFGB	
O=C(O)C12C[C@@H]3CC(C[C@H](C3)C1)[C@H]2Cl	103848608	QNJGTYRBSMIEHN-PHKAARJASA-N	214.692	2.505	50	40	BFGB	
Cc1c([N+](=O)[O-])ccc(F)c1CBr	306653656	VFEFBWJHCRLCPY-UHFFFAOYSA-N	248.051	2.937	50	40	BFGB	
C[C@H](Cl)[C@H](Sc1ccccc1)C(=O)O	2271207	QAMGZEOUHTYHOY-CBAPKCEASA-N	230.716	2.859	50	40	BFGB	
O=C(CCCl)Nc1ccnn1C1CCCC1	12505124	WWSZNZDMXOUYSK-UHFFFAOYSA-N	241.722	2.566	50	40	BFGB	in-vitro
COc1ccc2c(c1)CCCC2=C(C#N)C#N	16970786	WVOJASVMOHTBKH-UHFFFAOYSA-N	224.263	2.832	50	40	BFGB	
CN(C)c1ccc(CCBr)cc1	36449283	PADFZBCISPJFMT-UHFFFAOYSA-N	228.133	2.690	50	40	BFGB	
F[C@@H](Br)[C@@]1(F)C=CC(F)(F)O1	68591044	LYYPBEBABNTTQQ-QWWZWVQMSA-N	234.974	2.522	50	40	BFGB	
O=C1CCCN1c1ccc(CCl)c(F)c1	199733078	LBTLXAWSZJFMAE-UHFFFAOYSA-N	227.666	2.691	50	40	BFGB	
N#CSCc1ccc(O)c2ncccc12	5338210	UCMUMLGEBXICCM-UHFFFAOYSA-N	216.265	2.655	50	40	BFGB	
C/C(=C\Br)CBr	65740146	ZGUSGHWDLWVHBI-DUXPYHPUSA-N	213.900	2.680	50	40	BFGB	in-vitro
Fc1ccc(-c2ccnn2CCCl)cc1	96527647	VVKLHHYXZUWCGM-UHFFFAOYSA-N	224.666	2.928	50	40	BFGB	
ClCCOCC(Cl)(Cl)Cl	1083807055	XCGGNHNRSNVDLS-UHFFFAOYSA-N	211.903	2.612	50	40	BFGB	
CC1=C(C#N)C(C)(CCl)C(C#N)=C(C)N1C	1563925	PXASKBSFBDOSGR-UHFFFAOYSA-N	235.718	2.772	50	40	BFGB	
Cc1ccc(OCc2nnc(CCl)o2)cc1	20135823	QPLQPWUVNDKJHY-UHFFFAOYSA-N	238.674	2.696	50	40	BFGB	
COc1cc2cc(C(=O)Cl)[nH]c2cc1OC	196138683	AMZXCRVQEOHOGX-UHFFFAOYSA-N	239.658	2.564	50	40	BFGB	
ClCCN[C@H]1c2ccccc2C[C@H]1Cl	1685669	CTZBHTNSQKDLIH-MNOVXSKESA-N	230.138	2.720	50	40	BFGB	
CC[C@@H](CNC(=O)[C@H](C)Cl)c1ccccc1	4206102	WIKKHIBCQBDBRJ-QWRGUYRKSA-N	239.746	2.924	50	40	BFGB	
CN(Nc1ccccc1)C(=O)OC(C)(C)C	36533215	VPBMXPVNDGEZHV-UHFFFAOYSA-N	222.288	2.880	50	40	BFGB	
O=C(Cl)OCC(F)(F)[C@H](F)C(F)(F)F	169795627	XFVROPNHPCBZCS-REOHCLBHSA-N	244.518	2.898	50	40	BFGB	
CC(C)OC(=O)/C(C#N)=C\c1ccc(F)cc1	5381297	VEVFYBLIRPUWTP-XFFZJAGNSA-N	233.242	2.684	50	40	BFGB	
Cc1c(Cl)ccc2c1N[S@@](=O)S2	5809720	SYRJFQXNPNPIMD-GFCCVEGCSA-N	219.718	2.745	50	40	BFGB	
CC(C)(C)c1ccc(OCC(=O)N=C=S)cc1	70461485	AVISAIJZFGJJMJ-UHFFFAOYSA-N	249.335	2.992	50	40	BFGB	
C[C@]1(C(=O)OCCCCCl)CC[C@H]2O[C@@H]2C1	100929338	KTEBZYROZXXYOW-FOGDFJRCSA-N	246.734	2.506	50	40	BFGB	
CCCCCC(=O)N/N=C(\C)c1ccc(N)cc1	5250113	USCXSULBBJKABI-LFIBNONCSA-N	247.342	2.689	50	40	BFGB	
C[C@@H](Br)c1cncc(F)c1	96511416	NJZQUKYXRRBOKA-RXMQYKEDSA-N	204.042	2.677	50	40	BFGB	
O=C(N/N=C\c1ccsc1)Nc1ccccc1	136949562	JJSFYTNVOXFPQC-JYRVWZFOSA-N	245.307	2.904	50	40	BFGB	
Cc1ccc(C)n1-c1ccnc(C(=O)CCl)c1	199753880	OKQZQJQNBMJLFM-UHFFFAOYSA-N	248.713	2.911	50	40	BFGB	
O=C1c2cc(Cl)ccc2OC[C@H]1Cl	5062794	CYWGYUGWLRNOIO-SSDOTTSWSA-N	217.051	2.523	50	40	BFGB	
CN(NC(=O)c1ccc(F)cc1)c1ccccc1	8357818	PGVOZEYJMZOAFH-UHFFFAOYSA-N	244.269	2.607	50	40	BFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)c1ccccc1	13964211	KOMHHNSENNVSJW-IDDOUWDCSA-N	240.306	2.614	50	40	BFGB	
C[C@H](Cl)C(=O)N(Cc1ccsc1)C1CC1	40492019	QZBDNJBLOUSZTA-QMMMGPOBSA-N	243.759	2.866	50	40	BFGB	
O=C(Cl)c1ccc(Oc2ccccn2)o1	169805036	WWBRCTPCFNXBCQ-UHFFFAOYSA-N	223.615	2.846	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@H]1CCCc2ccccc21	3887371	JECZABDCMGFFAP-CABZTGNLSA-N	237.730	2.808	50	40	BFGB	
CCOC(=O)N/N=C(\C)c1ccccc1Cl	5473045	CXLBKMPAWCELFG-MDWZMJQESA-N	240.690	2.810	50	40	BFGB	
COc1ccc(/C=C\C=C(C#N)C#N)cc1	12952035	ASQQJHPXTIBFRU-IHWYPQMZSA-N	210.236	2.682	50	40	BFGB	
O=Cc1cc(F)ccc1CBr	98210780	XETUJXBJURREHW-UHFFFAOYSA-N	217.037	2.533	50	40	BFGB	in-vitro
ClCCN(CCCl)CC1CCCC1	1692537	SPJUTJMFVUAMKB-UHFFFAOYSA-N	224.175	2.956	50	40	BFGB	
Cc1ccc(NC(=O)[C@H](C)Cl)c(F)c1	20363154	BXGBVPDVVORGGP-ZETCQYMHSA-N	215.655	2.700	50	40	BFGB	
CCCCO[C@H](C)OCCBr	139702000	CULMCUAWEKPMJV-QMMMGPOBSA-N	225.126	2.561	50	40	BFGB	
C=C1CC[C@](C)(CO)[C@@]1(C)CBr	1448509	JVPCPWZJZTZEOW-ZJUUUORDSA-N	233.149	2.736	50	40	BFGB	
O[C@@H](CCl)CCCCCC[C@@H](O)CCl	1604109	ZNYUYLSLWABHBG-NXEZZACHSA-N	243.174	2.526	50	40	BFGB	
CC(C)c1ccc(C2CC(=O)OC(=O)C2)cc1	104584836	SWXGJKIWNLFIQX-UHFFFAOYSA-N	232.279	2.757	50	40	BFGB	
ClCCc1cncc(Br)c1	117045394	GXGJFKOCLUUXGV-UHFFFAOYSA-N	220.497	2.625	50	40	BFGB	
C[C@H](Cl)c1nc2cc(C(=O)O)ccc2n1C	225295542	GOUSKNAQGILTHO-LURJTMIESA-N	238.674	2.571	50	40	BFGB	
CC(C)N(NC(=O)Nc1ccccc1)C(C)C	408822804	XBFBQMUTLQHWAX-UHFFFAOYSA-N	235.331	2.842	50	40	BFGB	
FC(F)(F)C(OCCCl)C(F)(F)F	98210574	MLPYPBOABBXQCL-UHFFFAOYSA-N	230.535	2.735	50	40	BFGB	
CC(=O)Oc1ccccc1C(=O)CCCCl	328794404	OVFXOTYILPKENI-UHFFFAOYSA-N	240.686	2.814	50	40	BFGB	
CCCOc1ccc(/C=C(/C#N)C(N)=S)cc1	408542537	JMVFJKHOZVPJOI-FLIBITNWSA-N	246.335	2.668	50	40	BFGB	
COc1cccc(C(=O)N/N=C(\C)C(C)(C)C)c1	408780491	ZTMNXENIIZKKBV-XNTDXEJSSA-N	248.326	2.847	50	40	BFGB	
CC[C@@H](Br)CCBr	111341816	SOZLNIPBRVQUOG-RXMQYKEDSA-N	229.943	2.945	50	40	BFGB	
C[Si](C)(C)N(CCCl)CCCl	195781356	LREGBYAVKWWAIK-UHFFFAOYSA-N	214.212	2.601	50	40	BFGB	
O=C(CCl)c1c(Cl)cncc1Cl	199753767	QEMAQXHWRLOUHZ-UHFFFAOYSA-N	224.474	2.810	50	40	BFGB	
CCOc1ccc(C(=O)N/N=C(\C)C(C)C)cc1	4155936	ANWBNWPJXSUVGB-RVDMUPIBSA-N	248.326	2.847	50	40	BFGB	
COc1c(F)c(F)c(C(=O)Cl)c(F)c1F	8469424	OCVNPJKHUJNLQD-UHFFFAOYSA-N	242.555	2.631	50	40	BFGB	
CCCCCCC[S@](=O)CCCl	104158644	ZSJLOCPVTWKDQV-GFCCVEGCSA-N	210.770	2.944	50	40	BFGB	
COC(=O)N/N=C/C(Cl)=C/c1ccccc1	3250745	JQCJNSWKQDSKGS-DOLWDEDMSA-N	238.674	2.608	50	40	BFGB	
COc1ccc(OC)c(C(=O)[C@@H](C)Cl)c1	19435981	HCVAOHYTOKNBLC-SSDOTTSWSA-N	228.675	2.514	50	40	BFGB	
BrCCCCC1CCOCC1	70791457	WZJKARAZSGMQEV-UHFFFAOYSA-N	221.138	2.978	50	40	BFGB	in-vitro
C[C@@H](Cl)C(=O)c1cc(F)c(F)cc1F	235123915	PGWUPHFIKFZPJH-SCSAIBSYSA-N	222.593	2.914	50	40	BFGB	
N#CC(C#N)=CNc1cccc(Cl)c1	1718290	DBWBMOMRNHVYAZ-UHFFFAOYSA-N	203.632	2.683	50	40	BFGB	in-vitro
O=C(CBr)c1ccc(O)c(Cl)c1	39298258	CUHUBMZPUIZOAK-UHFFFAOYSA-N	249.491	2.623	50	40	BFGB	
CCN[C@H](C)O[Si](C)(CC(C)C)OCC	198680473	DVXHRXDVNXCARD-VPHXOMNUSA-N	233.428	2.723	50	40	BFGB	
Cc1ccc([C@@]2(C)OC[C@H](CCl)O2)cc1	1689219	CJHIJQSTQLRGBP-RYUDHWBXSA-N	226.703	2.822	50	40	BFGB	
ClC[C@H](Cl)C[n+]1cccc2ccccc21	3168161	XFASQQKPHAOGMP-NSHDSACASA-N	241.141	2.974	50	40	BFGB	
C[C@]12CC[C@H](C[C@@H]1O)[C@@]2(C)CBr	4228155	IZTHFLJIDXSODK-XFWSIPNHSA-N	233.149	2.569	50	40	BFGB	
CCCC[C@@H](CC)COC(=O)CCl	5553671	QZBQQHUYQKGPLQ-SECBINFHSA-N	206.713	2.985	50	40	BFGB	
O=C(CCl)c1cc(Br)cs1	13528238	OPHPHNFENFXVBJ-UHFFFAOYSA-N	239.521	2.932	50	40	BFGB	
CC/C(=N\NC(=O)OC)c1cccc(Cl)c1	16972469	MSVYVSPGCVNCRX-JLHYYAGUSA-N	240.690	2.810	50	40	BFGB	
F[C@H](Cl)C(F)(F)OCC(F)(F)F	16159415	SNVWPWRMMAPUJZ-REOHCLBHSA-N	216.508	2.693	50	40	BFGB	in-vitro
COC(=O)c1cc(C)cc2nc(CCl)oc12	43827655	ZULWCYYJSLEOKO-UHFFFAOYSA-N	239.658	2.662	50	40	BFGB	
CCN(CC)CCCCCBr	70050445	LJCFVJNFYQAQMR-UHFFFAOYSA-N	222.170	2.893	50	40	BFGB	
CC[C@H](C)OC(=O)OC(=O)O[C@H](C)CC	135887502	PRUGMAWKMXYGFZ-OCAPTIKFSA-N	218.249	2.873	50	40	BFGB	
ClC[C@@H]1CO[C@H](c2ccc(Cl)cc2)O1	1674891	PWUSSDSFKIJXBB-ZJUUUORDSA-N	233.094	2.993	50	40	BFGB	
Cc1cccc(Cn2cc(N=C=S)cn2)c1	2536589	ZDWSGMUYGXDDGP-UHFFFAOYSA-N	229.308	2.974	50	40	BFGB	
N#CC(C#N)=Cn1c(=S)[nH]c2ccccc21	5594339	FYCHLSWUTQVZLK-UHFFFAOYSA-N	226.264	2.587	50	40	BFGB	
CCOc1cccc(/C=C/C(=O)Cl)c1	33433170	BTEVIGKPVHIBLE-VOTSOKGWSA-N	210.660	2.864	50	40	BFGB	
CC[C@@H](Cl)C(=O)c1ccc2c(c1)OCCO2	71423502	QVVVUQOSZQIOFS-SECBINFHSA-N	240.686	2.658	50	40	BFGB	
CCCC(=O)OC(=O)c1ccc(C)cc1C	228916952	XJBYFXWDLASTMD-UHFFFAOYSA-N	220.268	2.787	50	40	BFGB	
N#CSc1sc(N)nc1-c1ccccc1	56334	CJCHWMSOLYDGOM-UHFFFAOYSA-N	233.321	2.965	50	40	BFGB	
ClCc1csc(-c2ccccn2)n1	2656403	VQPIMZRQQCTIHE-UHFFFAOYSA-N	210.689	2.944	50	40	BFGB	in-vitro
Cc1cc(C=C(C#N)C#N)c(C)n1-c1ccncc1	4677780	OTOXZIVWPUYWSX-UHFFFAOYSA-N	248.289	2.920	50	40	BFGB	
CC/C(C/C=C/Cc1ccccc1)=N\NC(N)=O	4701319	ZPBJPRWICQGCFX-SNRYRNFVSA-N	245.326	2.610	50	40	BFGB	
O=C(N/N=C/c1ccccc1)NC1CCCCC1	6222637	PNUMAZUVVCOATG-RVDMUPIBSA-N	245.326	2.652	50	40	BFGB	
CC(=O)OCC[C@H](C)CC/C=C(\C)C=O	39271316	HEUSWAZSUJSVCG-VUUNSECVSA-N	212.289	2.501	50	40	BFGB	
CCOC(=O)/C(C#N)=C\Nc1ccc(CC)cc1	100205510	JEJARQCJKLZBKV-BENRWUELSA-N	244.294	2.631	50	40	BFGB	
O=C(CSc1ccccc1)NN=C1CCCC1	408784924	DGJYJNZQVIYETJ-UHFFFAOYSA-N	248.351	2.825	50	40	BFGB	
C=CCc1cccc(C=C(C#N)C#N)c1O	6562714	XFYBNBBONUXYBE-UHFFFAOYSA-N	210.236	2.551	50	40	BFGB	
N#C/C(=C/c1ccc[nH]1)C(=O)c1ccccc1	13139330	TUKFFPXAFXRQFV-XFXZXTDPSA-N	222.247	2.805	50	40	BFGB	
CC(C)C(=O)SCCSCCCl	1671131	JONDJNDKGYYHMR-UHFFFAOYSA-N	226.794	2.874	50	40	BFGB	
N#CC(C#N)=C(CC=O)c1ccc(Cl)cc1	4293631	VZQVUPKRLHFGEE-UHFFFAOYSA-N	230.654	2.730	50	40	BFGB	biogenic
CCCc1ccc(NC(=O)CCl)cc1	12505002	URRNVZNXDFJSFS-UHFFFAOYSA-N	211.692	2.816	50	40	BFGB	
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CCl	12505035	CGHDTEQFSRLNFA-QMMMGPOBSA-N	229.682	2.584	50	40	BFGB	in-vitro
Clc1cnccc1CBr	84192213	SLGAAPFLALVLSB-UHFFFAOYSA-N	206.470	2.630	50	40	BFGB	in-vitro
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2)C1CCCCC1	225679952	OKUXOAZKYHVMTC-JPQUEKKBSA-N	246.354	2.881	50	40	BFGB	
N#C/C(=C/c1cccnc1)c1ccccn1	12367846	PVWFGDMPXANTOE-WQLSENKSSA-N	207.236	2.541	50	40	BFGB	
CO[C@@H](CCl)c1ccc([N+](=O)[O-])cc1	5998133	OWEDAINGZMBMLR-VIFPVBQESA-N	215.636	2.521	50	40	BFGB	
N#C/C(=C\c1cccc([N+](=O)[O-])c1)c1ccno1	12804062	QLDYZYZPRMSMCB-UXBLZVDNSA-N	241.206	2.647	50	40	BFGB	
CC(C)c1ccc(OCC(=O)CCl)cc1	32015264	DVYLDUPFPSUFIY-UHFFFAOYSA-N	226.703	2.997	50	40	BFGB	
BrCc1ccc2c(c1)OCCCO2	37675249	XZLJUDLHLNDJQG-UHFFFAOYSA-N	243.100	2.743	50	40	BFGB	
O=C1OC(=O)c2cc(Oc3ccccc3)ccc21	100007546	HDQBHDKNRKRCNH-UHFFFAOYSA-N	240.214	2.790	50	40	BFGB	
Cc1nc(C)c(C(=O)NNc2ccccc2)s1	120469638	XDTFCZBZNWLHBF-UHFFFAOYSA-N	247.323	2.517	50	40	BFGB	
O=[N+]([O-])CCCCCCCCBr	1857793822	CKLPZKQWJOERIQ-UHFFFAOYSA-N	238.125	2.999	50	40	BFGB	
BrCCCCC1CCNCC1	2507161	SJYOIHHGDNCLBA-UHFFFAOYSA-N	220.154	2.551	50	40	BFGB	
C[C@]1(Cc2ccccc2)OC[C@@H](CCl)O1	1674906	FUJNHUPEHSGJQK-NEPJUHHUSA-N	226.703	2.600	50	40	BFGB	
O=C(NN=C1CCCCCCC1)c1ccncc1	4694516	FLUAKETWIMTOQB-UHFFFAOYSA-N	245.326	2.912	50	40	BFGB	
COc1cccc(C(=O)CCCCl)c1	34452348	KQFBLOHOCUJMTC-UHFFFAOYSA-N	212.676	2.897	50	40	BFGB	
C[C@@H]1CCN(C(=O)CCl)[C@@H]2CCCC[C@H]12	37654107	JMSUCGPACWGZDL-GMTAPVOTSA-N	229.751	2.652	50	40	BFGB	in-vitro
Cc1ccc(Cn2cncc2CCl)cc1	59980099	VHHHJDGNEAGQIP-UHFFFAOYSA-N	220.703	2.979	50	40	BFGB	
CC1(C)CCC[C@H](Br)C1=O	1757403	NQKPKIZHPZWYJJ-LURJTMIESA-N	205.095	2.529	50	40	BFGB	
CC[C@@H](C)N(C(=O)CCl)[C@H](C)CC	4219110	OATNNNLJLRYGDZ-RKDXNWHRSA-N	205.729	2.651	50	40	BFGB	in-vitro
CCOC(=O)c1ccc([C@@H](C)Cl)o1	22113253	CZUXQEZYMQSOAN-ZCFIWIBFSA-N	202.637	2.756	50	40	BFGB	
CN1c2ccccc2S[C@H]2C=CC(C#N)=C[C@@H]21	48024933	VVTVMRJQNKINKL-JSGCOSHPSA-N	240.331	2.985	50	40	BFGB	
O=C(CCl)C1C2CC3CC(C2)CC1C3	88022356	WUXSRMLAJVUFRA-UHFFFAOYSA-N	212.720	2.867	50	40	BFGB	
N#Cc1c(F)cccc1C(=O)CCCCl	389365476	UCERLBPJMVUGKC-UHFFFAOYSA-N	225.650	2.899	50	40	BFGB	
O=C1c2cccc3cccc(c23)C(=O)N1CCl	5553214	DRUXZLOWPQHOAV-UHFFFAOYSA-N	245.665	2.632	50	40	BFGB	
O=C/C(Cl)=C\C(Cl)(Cl)Cl	31319209	SBJGGOPLEWSLBN-HNQUOIGGSA-N	207.871	2.678	50	40	BFGB	
Cc1ncc(Br)cc1CCl	238573079	JDOGMYMSGOYLTR-UHFFFAOYSA-N	220.497	2.891	50	40	BFGB	
C[N+](C)(C)CCCCCCBr	22053397	WJNHFKVKJHYMNG-UHFFFAOYSA-N	223.178	2.648	50	40	BFGB	in-vitro
C/C(C=C(C#N)C#N)=C/c1ccc([N+](=O)[O-])cc1	1625485	JWTLNWOGDFUNLJ-POHAHGRESA-N	239.234	2.972	50	40	BFGB	
S=C=NCCn1ccc2ccccc21	2455293	FVRZLHSGVJXLOY-UHFFFAOYSA-N	202.282	2.744	50	40	BFGB	
NC(=O)N/N=C1\CCCC\C1=C/c1ccccc1	5888130	GNVIWFXVADWHRJ-XBKMVRDJSA-N	243.310	2.668	50	40	BFGB	
Cc1ccc(C)n1-c1ccc(C(=O)CCl)cn1	34519932	LUYDCKABOZKBMK-UHFFFAOYSA-N	248.713	2.911	50	40	BFGB	
COC(=O)[C@@H](Cl)c1ccc(Cl)cc1	47844391	HBMSRVGZKKNZLW-QMMMGPOBSA-N	219.067	2.793	50	40	BFGB	in-vitro
Cc1cc(Br)oc1C(=O)CCl	1535639416	AVNINGNLPCQCJQ-UHFFFAOYSA-N	237.480	2.772	50	40	BFGB	
CCOC(=O)/C(C#N)=C/c1ccc(CC)s1	42523	BKJNRBJOGKPVGQ-VQHVLOKHSA-N	235.308	2.781	50	40	BFGB	
Cc1sc(NC(=O)CCCl)c(C#N)c1C	2082064	ONRFJUAYDHYXGO-UHFFFAOYSA-N	242.731	2.804	50	40	BFGB	
CCO[Si](CC[C@@H](C)C#N)(OCC)OCC	198744468	ULJQQFHZTZXSMQ-LLVKDONJSA-N	245.395	2.585	50	40	BFGB	
O=C(F)c1ccc(OC(F)(F)F)cc1	1847572	UKJWAZZCGZQPTA-UHFFFAOYSA-N	208.110	2.695	50	40	BFGB	
O=C(Nc1ccc(F)cc1F)C(Cl)Cl	5568069	BLNDAUQCJCKNPM-UHFFFAOYSA-N	240.036	2.707	50	40	BFGB	
C/C(=N\NC(=O)NC1CCCCC1)c1ccco1	12604073	HZJKSRUPSVMUCN-XNTDXEJSSA-N	249.314	2.636	50	40	BFGB	
C[C@@H]1c2ccccc2N(C(=O)CCl)[C@@H]1C	39222706	TURJCTSKXKNFDH-DTWKUNHWSA-N	223.703	2.764	50	40	BFGB	
CC(C)(C)C(=O)/C(C#N)=C(\O)C(C)(C)C	16322633	BVZWJUFREKIXOW-HJWRWDBZSA-N	209.289	2.983	50	40	BFGB	
CC1=C/C(=C2\N=C(N(C)C)SS2)C(C)=N1	31969879	WVMUNXNCYXJFQU-HJWRWDBZSA-N	239.369	2.889	50	40	BFGB	
Cc1cc2nc(CCl)n(C)c2cc1C	45206641	GDUBUEPHEOEVGA-UHFFFAOYSA-N	208.692	2.929	50	40	BFGB	
CC(C)=CC1=C(C)[C@H](C)[C@H]2C(=O)OC(=O)[C@@H]2C1	100472715	LCMBVMZMOYGTMT-MVWJERBFSA-N	234.295	2.625	50	40	BFGB	
Cc1ccc([C@]2(C)OC[C@@H](CCl)O2)cc1	1689218	CJHIJQSTQLRGBP-VXGBXAGGSA-N	226.703	2.822	50	40	BFGB	
FCCOc1cccc(CBr)c1	72226521	UFLGOUIOBFQBPC-UHFFFAOYSA-N	233.080	2.930	50	40	BFGB	
CC(=O)N(C)/N=N\c1ccc(Cl)cc1	104198963	ZEWLGAIPFJGEOQ-QXMHVHEDSA-N	211.652	2.817	50	40	BFGB	
Cc1ccc(C)c(OCCC(=O)Cl)c1	2558163	DOENGOQDWPZKMB-UHFFFAOYSA-N	212.676	2.838	50	40	BFGB	
Fc1ccc(-c2nc(CCl)no2)cc1	4219205	REASHIJFDMZTQP-UHFFFAOYSA-N	212.611	2.615	50	40	BFGB	in-vitro
O=C(NN=C1CCCC1)NC1CCCCC1	7026646	XVIGWPXHIXJMPA-UHFFFAOYSA-N	223.320	2.548	50	40	BFGB	
C=C(C)C(=O)O[Si](C)(C)O[Si](C)(C)C	196753418	HWZPCWIHVLRGII-UHFFFAOYSA-N	232.428	2.659	50	40	BFGB	
C[C@H](Cl)C(=O)NCc1ccc(Cl)cc1	8728688	MXIKGEWWJHHSHX-ZETCQYMHSA-N	232.110	2.584	50	40	BFGB	
CC(C)[C@H](NC(=O)CCl)c1ccccc1	12505011	GXLTWDBSFDIWOA-LBPRGKRZSA-N	225.719	2.739	50	40	BFGB	in-vitro
C[C@H](Cl)CN1C[C@H]2[C@H]3CC[C@H](C3)[C@H]2C1	6487201	PCNSLISBMZJMLK-HHHUOAJASA-N	213.752	2.592	50	40	BFGB	
COc1c(F)cccc1CBr	37594116	OYXRYBDZSXMMPU-UHFFFAOYSA-N	219.053	2.729	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)C[C@H]2Cl	307400969	AOHYWMNHGNRNKL-ONOSFVFSSA-N	216.708	2.895	50	40	BFGB	
O=C(CCl)Nc1ccc(-n2cccc2)cc1	8702874	KLURSSCFMIWRBG-UHFFFAOYSA-N	234.686	2.655	50	40	BFGB	
FC(F)Oc1cc(CBr)ccn1	91365912	HXWAYWSNGXCTEO-UHFFFAOYSA-N	238.031	2.578	50	40	BFGB	
CCC#CCC#CCC#CCBr	96031268	FOYLPBHZZAPGGM-UHFFFAOYSA-N	223.113	2.582	50	40	BFGB	in-vitro
C[C@H]1CCCC/C1=N\NC(=O)c1ccccc1O	16973193	CRWYOXAYKHRBAT-PTFXAJSMSA-N	246.310	2.688	50	40	BFGB	
CCCCN(C(=O)CCl)[C@H](C)CC	4219088	ZEBKBIWGMKJWNG-SECBINFHSA-N	205.729	2.652	50	40	BFGB	in-vitro
C/C(C=C(C#N)C#N)=C\c1ccc([N+](=O)[O-])cc1	16957495	JWTLNWOGDFUNLJ-UXBLZVDNSA-N	239.234	2.972	50	40	BFGB	
Cc1ccc(Cl)c(OCC(=O)CCl)c1	33464840	CYTKVEYWBXNIKB-UHFFFAOYSA-N	233.094	2.835	50	40	BFGB	
O=C(CCl)Cc1cccc(Br)c1	37066109	JMLBVVNIFKERTJ-UHFFFAOYSA-N	247.519	2.800	50	40	BFGB	in-vitro
C[C@H]1c2ccccc2N(C(=O)CCl)[C@@H]1C	39222707	TURJCTSKXKNFDH-RKDXNWHRSA-N	223.703	2.764	50	40	BFGB	
Cc1cncc(CN2CCC(Cl)CC2)c1	85224913	WVOMRUIQEYXHRZ-UHFFFAOYSA-N	224.735	2.593	50	40	BFGB	
CC1=CC(=C(C#N)C#N)C=C(C)N1C(C)C	3165987	VNBJJYRRAGEMET-UHFFFAOYSA-N	213.284	2.862	50	40	BFGB	
Cc1ccccc1[C@H](C)NC(=O)[C@@H](C)Cl	37389519	JFQPHODKVGGOPX-ZJUUUORDSA-N	225.719	2.800	50	40	BFGB	in-vitro
C[C@@H]1C[C@H](OC(=O)CSC#N)CC(C)(C)C1	1672279	QAMJSLWZOIZUIZ-ZJUUUORDSA-N	241.356	2.959	50	40	BFGB	
O=C(O)c1cc(N=C=S)cc(N=C=S)c1	2528210	FYIAGFHYULXJLE-UHFFFAOYSA-N	236.277	2.853	50	40	BFGB	in-vitro
Cc1cccc2c1CC(C)(C)NC2=C(C#N)C#N	4581165	VCCUOIXZHXDHNI-UHFFFAOYSA-N	237.306	2.678	50	40	BFGB	
Fc1ccc2onc(CBr)c2c1	34320469	QOGUIHQSEHKCRZ-UHFFFAOYSA-N	230.036	2.862	50	40	BFGB	
O=C(CCc1ccccc1)NN=C1CCCC1	341203	UVPKSXIIZUTPLL-UHFFFAOYSA-N	230.311	2.665	50	40	BFGB	
N#Cc1ccc(-c2nc(CCl)co2)cc1	37933870	CALDFNZAMPMHDM-UHFFFAOYSA-N	218.643	2.952	50	40	BFGB	in-vitro
O=C(Cl)c1cscc1C(=O)Cl	100303434	KJEBZMKZUKLTDO-UHFFFAOYSA-N	209.053	2.506	50	40	BFGB	
CCOc1ccc(OC)cc1C(=O)CCl	106679661	FNNOTNADFCALMI-UHFFFAOYSA-N	228.675	2.515	50	40	BFGB	
Cc1ccc(CBr)c([N+](=O)[O-])c1	199547354	OQKAJZOGXNDEMX-UHFFFAOYSA-N	230.061	2.798	50	40	BFGB	
CC(C)=NNC(=O)CCSc1ccccc1	408726518	MOYPLWQLEXZCBR-UHFFFAOYSA-N	236.340	2.681	50	40	BFGB	
CCOc1ccc(/C=C/C#N)cc1OC	33777859	UKUAXFVMWFVXRE-SNAWJCMRSA-N	203.241	2.631	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@H]1C[C@@H]2C=C[C@@H]1C2	169619891	NUPFPBLLUREADH-AISUPKNMSA-N	244.294	2.516	50	40	BFGB	
C[C@H](Cl)C(=O)OCCCc1ccccc1	1687391	YIRVLLJBAQFWIE-JTQLQIEISA-N	226.703	2.790	50	40	BFGB	
COC(=O)N/N=C\c1ccc(Cl)cc1Cl	31723687	DSMXIGPLIIYFNC-XGICHPGQSA-N	247.081	2.683	50	40	BFGB	
C=CCNC(=O)/C(C#N)=C/c1ccc(C)c(C)c1	44022804	HPLIOIRYXJJVSX-NTEUORMPSA-N	240.306	2.513	50	40	BFGB	
CCCCN(CCCC)C(=O)CCl	1586546	GWLDNNDUGQPSRE-UHFFFAOYSA-N	205.729	2.654	50	40	BFGB	in-vitro
CC[C@H](CNC(=O)[C@@H](C)Cl)c1ccccc1	4206101	WIKKHIBCQBDBRJ-GHMZBOCLSA-N	239.746	2.924	50	40	BFGB	
C[C@@H](Oc1cccc(Cl)c1)C(=O)Cl	6183370	ZTVZDNDXSGIOTQ-ZCFIWIBFSA-N	219.067	2.873	50	40	BFGB	in-vitro
CCOc1cccc(-c2noc(CCl)n2)c1	20268768	WSDXJYJSQRTUMC-UHFFFAOYSA-N	238.674	2.874	50	40	BFGB	
N#C/C(=C\c1cccc(C#N)c1)c1ccno1	25049607	RAMBHLOVYJNIAW-KPKJPENVSA-N	221.219	2.610	50	40	BFGB	
CC(C)(CCl)Nc1nc2ccccc2[nH]1	40175484	ULCSSRYOBGVYSR-UHFFFAOYSA-N	223.707	2.992	50	40	BFGB	
O=C(O)c1ccc(CBr)cc1Cl	98210791	XLSCQDQYSNEWPW-UHFFFAOYSA-N	249.491	2.933	50	40	BFGB	
C[C@H](Cl)C(=O)N[C@@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2	100091984	ZWRHZCDJUHUGET-DAWVFNFOSA-N	229.751	2.555	50	40	BFGB	
COc1ccc(Cn2cncc2CCl)cc1	59980005	QGCRUJBKDRVUHF-UHFFFAOYSA-N	236.702	2.679	50	40	BFGB	
CCCOc1ccc(C(=O)Cl)cc1[N+](=O)[O-]	72226335	XXVAIWCLFHKSBK-UHFFFAOYSA-N	243.646	2.763	50	40	BFGB	
S=C=Nc1cccnc1Br	237977106	IGHQZIPWRBCPLB-UHFFFAOYSA-N	215.075	2.578	50	40	BFGB	
CC(C)(C)[Si](C)(C)O[C@H]1C[C@@H](C(=O)O)C1	616568899	ILLJYPXDDMGNID-DTORHVGOSA-N	230.380	2.871	50	40	BFGB	
COc1[nH]c2ccccc2c1C=C(C#N)C#N	179065	TYDXXNXYZSKIRN-UHFFFAOYSA-N	223.235	2.607	50	40	BFGB	
Cc1ccccc1OC[C@H](Cl)CN(C)C	6523269	GFXVYQCKHLWZFK-LLVKDONJSA-N	227.735	2.543	50	40	BFGB	
Cc1cc(C(=O)NN(C)c2ccccc2)c(C)o1	24972840	HVVNGNCWMPJSTB-UHFFFAOYSA-N	244.294	2.678	50	40	BFGB	
COC(=O)[C@@H](Br)CC1CCCC1	95929955	IBRYTPZFAFCZGH-QMMMGPOBSA-N	235.121	2.503	50	40	BFGB	
O=C(CCl)Nc1ccccc1C1CC1	6251787	FIYNRKCOFRDEMX-UHFFFAOYSA-N	209.676	2.741	50	40	BFGB	in-vitro
C[C@@H]1CCCC/C1=N\NC(=O)c1ccccc1O	16973187	CRWYOXAYKHRBAT-ABQLBJTMSA-N	246.310	2.688	50	40	BFGB	
COc1cccc(CBr)c1C	39423582	DDMAAZGSYRZHPK-UHFFFAOYSA-N	215.090	2.899	50	40	BFGB	
CC[C@H](Cl)C(=O)c1ccc(OC)cc1	71423511	GLMMOCQTWGQCTD-JTQLQIEISA-N	212.676	2.895	50	40	BFGB	
CCCCCC/C=N/NC(=O)OCC	104373095	WPRGWQJVHRRPQD-PKNBQFBNSA-N	200.282	2.689	50	40	BFGB	
Cc1ccc(-c2n[nH]c(N)c2SC#N)cc1	408896294	XOEFEPHMVMQDDE-UHFFFAOYSA-N	230.296	2.541	50	40	BFGB	
CCC/C=N/NC(=O)c1ccccc1Cl	4194791	QLDLZDCCRMTLJR-MDWZMJQESA-N	224.691	2.856	50	40	BFGB	
Cc1cc(N=C=S)nc(N2CCCCC2)n1	8731102	IQELPEZLGBNQEV-UHFFFAOYSA-N	234.328	2.510	50	40	BFGB	
CC(=O)n1cc(C(=O)Cl)c2ccccc21	199548185	WWZUJJQAZYGWPL-UHFFFAOYSA-N	221.643	2.680	50	40	BFGB	
COc1cc(F)ccc1C(=O)[C@H](C)Cl	238354934	RHJDLRMFRMKIQH-LURJTMIESA-N	216.639	2.644	50	40	BFGB	
Cc1cc(O)c(NC(=O)CCl)c(C)c1Cl	13609361	BBBWROLYSNXSKC-UHFFFAOYSA-N	248.109	2.840	50	40	BFGB	
O=C(CCCl)c1c[nH]c2ccccc12	71452606	IYKXWMCCLVVKRE-UHFFFAOYSA-N	207.660	2.980	50	40	BFGB	in-vitro
CC1(C)[C@@H]2CC[C@]1(C)C(=O)[C@H]2Br	100018866	NJQADTYRAYFBJN-MATHAZKKSA-N	231.133	2.775	50	40	BFGB	in-vitro
O=Cc1cccc(OCCCBr)c1	9261524	AQVYBJOWJVFFBA-UHFFFAOYSA-N	243.100	2.663	50	40	BFGB	
CCOC(=O)c1cccc(C(=O)[C@H](C)Cl)c1	309324464	QKQYJSQWELJEHL-QMMMGPOBSA-N	240.686	2.673	50	40	BFGB	
Nc1ccc(OC(F)(F)[C@H](F)Cl)cc1	1605960	KRJGYZGOFPUZRH-ZETCQYMHSA-N	225.597	2.775	50	40	BFGB	
CCC(CC)=NNC(=O)c1ccc(OC)cc1	5307143	SVBJJYKKAWRGIY-UHFFFAOYSA-N	234.299	2.601	50	40	BFGB	
Cc1onc(-c2ccccc2)c1N=C=O	158494	PQTGYRAJPUYYOM-UHFFFAOYSA-N	200.197	2.617	50	40	BFGB	in-vitro
Cc1ccc(C(=O)N/N=C2\CCC[C@@H](C)C2)o1	5618418	MRCYVKVWIVUGBZ-OFVMIXNHSA-N	234.299	2.884	50	40	BFGB	
O=C(N/N=C/C=C\c1ccco1)c1cccs1	13571925	YABRUOZHPIBVBK-RRRSZIBASA-N	246.291	2.770	50	40	BFGB	
Fc1cccc(C#CCBr)c1	88248009	GFWSDPGZBNWOCT-UHFFFAOYSA-N	213.049	2.572	50	40	BFGB	
COc1cccc2cc(C(=O)CCl)oc12	83185187	MZKWUHCMOPAKOD-UHFFFAOYSA-N	224.643	2.863	50	40	BFGB	
ClCc1ccnc(Br)c1	95642366	WRCMVKYFKWKRIG-UHFFFAOYSA-N	206.470	2.583	50	40	BFGB	in-vitro
CC1(C)[C@@H]2C=C[C@H](Br)C(=O)[C@@H]1C2	101139977	GYRYTKFGXWIPRO-CSMHCCOUSA-N	229.117	2.551	50	40	BFGB	
Cc1ccc(/C(Cl)=C/C=C(/C#N)C(N)=O)cc1	164036	HDPCUXRMKMKCJQ-IODUZNRKSA-N	246.697	2.510	50	40	BFGB	
CSc1ccccc1NC(=O)NCCCl	1614883	HLBQVVOSJHTMRP-UHFFFAOYSA-N	244.747	2.769	50	40	BFGB	
COc1cc(C(=O)Cl)ccc1OC(F)F	12357853	PWRPRTPRWUDJBE-UHFFFAOYSA-N	236.601	2.676	50	40	BFGB	
CCOc1ccc(Cl)cc1NC(=O)CCl	13609064	OHRQOZQXIJXDHP-UHFFFAOYSA-N	248.109	2.916	50	40	BFGB	
N#C/C(=C/c1cc2cc(F)ccc2o1)C(=O)O	98056048	NEXLARCYOAJYAJ-YVMONPNESA-N	231.182	2.563	50	40	BFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1cccc(N)c1	7779952	CYKSAZUSPYDZCS-OQLLNIDSSA-N	249.314	2.518	50	40	BFGB	
CCn1nc(C(F)(F)F)cc1CCl	12396665	AFZRUFZSOZXMNF-UHFFFAOYSA-N	212.602	2.661	50	40	BFGB	
O=C1c2ccccc2CCC[C@H]1Br	17020476	JIIICACPFONLNC-SNVBAGLBSA-N	239.112	2.969	50	40	BFGB	
BrCc1nnc(-c2ccccc2)o1	88108010	VQGXSJJMMTUKKV-UHFFFAOYSA-N	239.072	2.632	50	40	BFGB	
O=P(Cl)(N1CCCC1)N1CCCC1	104162681	DYGHSUHQBGFOCE-UHFFFAOYSA-N	222.656	2.525	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)c1cccs1	20281776	SZWLAJXMAPFGKS-CMDGGOBGSA-N	221.281	2.608	50	40	BFGB	
O=C(N/N=C/[C@H]1C[C@@H]2C=C[C@H]1C2)C1CCCCC1	5382484	OKUXOAZKYHVMTC-IDDOUWDCSA-N	246.354	2.881	50	40	BFGB	
CCOC(=O)/C(C#N)=C(\C)c1cccc(OC)c1	34106851	VLHXHTOUMNNCSC-JLHYYAGUSA-N	245.278	2.555	50	40	BFGB	
CC(C)n1nc(C(F)(F)F)cc1C(=O)Cl	72209626	CCHBZOCCLBFJLS-UHFFFAOYSA-N	240.612	2.862	50	40	BFGB	
CO[Si](CC[C@H]1CC=CCC1)(OC)OC	195772878	LJNFZEBTNPLCMG-NSHDSACASA-N	230.380	2.611	50	40	BFGB	
CSc1nc(Cl)cc(CCl)n1	4207282	FGHUCGUSRVUUSV-UHFFFAOYSA-N	209.101	2.591	50	40	BFGB	in-vitro
COc1ccc(-c2ccnn2CCCl)cc1	96527639	JYYVBNHXLHCDOT-UHFFFAOYSA-N	236.702	2.798	50	40	BFGB	
N#CSCC(=O)Nc1ccc(F)c(Cl)c1	98087283	SVCLVTVNZOAPAS-UHFFFAOYSA-N	244.678	2.632	50	40	BFGB	
CCc1cc2c(CCl)cc(=O)oc2cc1O	3887619	VVIUWQFKBOEJFI-UHFFFAOYSA-N	238.670	2.800	50	40	BFGB	
Oc1ccc(CCCBr)cc1	34370975	SIJRSDOJOBGBJP-UHFFFAOYSA-N	215.090	2.720	50	40	BFGB	
Cc1cc(C)c(C(=O)N=C=S)c(C)c1	35660195	HRCDFWAWYGALDR-UHFFFAOYSA-N	205.282	2.855	50	40	BFGB	in-vitro
Cc1ccccc1C(=O)OCCBr	1768438	HLTSTDJOZGFHNE-UHFFFAOYSA-N	243.100	2.547	50	40	BFGB	
Cc1cc(-c2csc(CCl)n2)nn1C	96528229	LYAFZMLTBSKZKC-UHFFFAOYSA-N	227.720	2.591	50	40	BFGB	
CC1(C)[C@H]2CC(=O)[C@@]1(C)[C@H](Br)C2	100746553	HZHUVUVILWOHBY-BRDIYROLSA-N	231.133	2.775	50	40	BFGB	
CCOC(=O)[C@H](Cc1cccc(C)c1)SC#N	2923513	HQQQAVJEFGOMJX-LBPRGKRZSA-N	249.335	2.684	50	40	BFGB	
CCCCCC[C@@H]1CCC/C1=N/NC(N)=O	4910849	WWLPQEXGDVXMFN-RLZNRLDCSA-N	225.336	2.781	50	40	BFGB	
Cc1c(Cl)cc(C(=O)Cl)cc1[N+](=O)[O-]	26508447	MHQLOTZBYMBCNC-UHFFFAOYSA-N	234.038	2.936	50	40	BFGB	
Cc1ccc(C)c(O[C@@H](C)C(=O)Cl)c1	33433239	VRWHEUQTCFUWFL-VIFPVBQESA-N	212.676	2.836	50	40	BFGB	
ClCCc1nc2c(Cl)cccc2[nH]1	54711008	YWTITMZLGHNIOE-UHFFFAOYSA-N	215.083	2.998	50	40	BFGB	
Cc1ccc(C#CCBr)cc1F	95633699	HPWSKIKOKSNRIN-UHFFFAOYSA-N	227.076	2.881	50	40	BFGB	
O=C(Cl)C1(c2cccs2)CCOCC1	12370706	SPYXSZSZBJBLCH-UHFFFAOYSA-N	230.716	2.562	50	40	BFGB	
Fc1cc(F)c(N=C=S)c(F)c1F	2528084	NRJUHOHJQHTIOM-UHFFFAOYSA-N	207.151	2.977	50	40	BFGB	
COc1ccc(C(=O)[C@H](C)Cl)cc1OC	19438660	LOANJYULKIBXSA-ZETCQYMHSA-N	228.675	2.514	50	40	BFGB	
ClCc1cn(-c2ccc(Cl)cc2)nn1	52225058	PJUZQOULZWELPK-UHFFFAOYSA-N	228.082	2.660	50	40	BFGB	in-vitro
BrCc1ccc(-n2ccnc2)cc1	73836686	KCZZPPIXSBGIST-UHFFFAOYSA-N	237.100	2.767	50	40	BFGB	
O=C(Cl)CCc1ccc(OC(F)F)cc1	78406301	UIGMUJMBCUWSAO-UHFFFAOYSA-N	234.629	2.986	50	40	BFGB	
CC[C@H](Cl)C(=O)c1cccc(C(=O)OC)c1	309228781	VOYWCMGNQBHEIY-JTQLQIEISA-N	240.686	2.673	50	40	BFGB	
N#C/C(=C\c1ccc(Cl)cc1)C(N)=S	243950	RZHHDALLVIGWBS-VMPITWQZSA-N	222.700	2.533	50	40	BFGB	
CCCCCCOC(=O)CCBr	1867436	SKMQINQBZSMTFL-UHFFFAOYSA-N	237.137	2.895	50	40	BFGB	
CC(C)[C@H](Br)CBr	2579254	XCVOFNNXLRFMGX-RXMQYKEDSA-N	229.943	2.801	50	40	BFGB	
CC(C)NC(=O)/C(C#N)=C/c1ccc(Cl)cc1	3570608	KPPFDRZNZOOJGU-YRNVUSSQSA-N	248.713	2.772	50	40	BFGB	
ClCCCC[C@H](CCl)NCCCl	5113165	DXAXAMOJKIPFJM-MRVPVSSYSA-N	232.582	2.831	50	40	BFGB	
CC(C)(C)C(=O)/C(C#N)=C\c1ccc(O)cc1	6056790	BDKGQXNLVUZZRR-FLIBITNWSA-N	229.279	2.914	50	40	BFGB	
C[C@H](Cl)C(=O)N(C)[C@H](C)c1ccccc1F	37830267	ZLENWMHHDNSFIN-DTWKUNHWSA-N	243.709	2.972	50	40	BFGB	
CCOc1cccc(OCCBr)c1	39280628	YMVSZMSXJXUCBI-UHFFFAOYSA-N	245.116	2.859	50	40	BFGB	
O=C(CCl)c1nc(Cl)ccc1Cl	95628542	UTRMVHRPFNCDNJ-UHFFFAOYSA-N	224.474	2.810	50	40	BFGB	
C[C@@]12CC[C@H](COC1)[C@@]2(C)CBr	100746661	BHVJSNVANTXHSG-OPRDCNLKSA-N	233.149	2.834	50	40	BFGB	
CCCC[Si](C)(C)OC[C@H](N)CC	195754470	RCWOTAWSTYVJBI-SNVBAGLBSA-N	203.402	2.746	50	40	BFGB	in-vitro
COC(=O)N/N=C/c1ccc(Cl)c(Cl)c1	3471120	CUHKWUNUBXUSSG-LFYBBSHMSA-N	247.081	2.683	50	40	BFGB	
C=CCN(Cc1cccs1)C(=O)CCl	4205749	MKEFYHUSWRZKNZ-UHFFFAOYSA-N	229.732	2.502	50	40	BFGB	in-vitro
BrCc1ccc(-c2ncon2)cc1	96308784	UPGZRHHHNZBSSC-UHFFFAOYSA-N	239.072	2.632	50	40	BFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@H]12)c1cccc(F)c1	5671249	HUJBBKJMBOPCFW-KIOYHMLKSA-N	244.269	2.508	50	40	BFGB	
ClCc1noc(/C=C\c2ccccc2)n1	32253039	OSRIIPKWBQSWMH-SREVYHEPSA-N	220.659	2.979	50	40	BFGB	
C[C@@H](Cl)C(=O)N(C)[C@H](C)c1ccccc1F	37830265	ZLENWMHHDNSFIN-RKDXNWHRSA-N	243.709	2.972	50	40	BFGB	
CC(C)(CCl)C(=O)Nc1cccc(C#N)c1	3104440	QGBZAPZPGYRLDT-UHFFFAOYSA-N	236.702	2.762	50	40	BFGB	
C/C(=N/NC(=O)c1ccc(F)cc1)c1ccco1	5369705	UIIISFXSVFUYQG-DHDCSXOGSA-N	246.241	2.573	50	40	BFGB	
O=[N+]([O-])c1ccc(Cl)c(CCl)c1	1728167	HORIWLYGDAZMKL-UHFFFAOYSA-N	206.028	2.987	50	40	BFGB	in-vitro
Cc1cc(C)cc(C(=O)N/N=C/c2ccoc2)c1	15934271	DMQXRFDDBCVUIS-OVCLIPMQSA-N	242.278	2.660	50	40	BFGB	
COc1cc(C(=O)Cl)ccc1Cl	34302433	OIUWDGUBPXTKBY-UHFFFAOYSA-N	205.040	2.728	50	40	BFGB	
Cc1cc(Br)ncc1CCl	72222944	SEKDUUAZRKXZJC-UHFFFAOYSA-N	220.497	2.891	50	40	BFGB	
Cl[C@@H]1CCN2CCc3ccccc3[C@@H]2C1	95933030	ZVAFQGZUKSEIBX-YPMHNXCESA-N	221.731	2.987	50	40	BFGB	
O=C(CCl)c1cccc2cnccc12	199753919	WEIPREBIENJFAV-UHFFFAOYSA-N	205.644	2.656	50	40	BFGB	
O=C(Cl)c1cc2cc(F)c(F)cc2[nH]1	199788624	KGRYFDCJXZRSNE-UHFFFAOYSA-N	215.586	2.825	50	40	BFGB	
Cc1ccc(C[C@H](Br)C#N)cc1	4205533	LWIBRNSEZYUOOO-JTQLQIEISA-N	224.101	2.825	50	40	BFGB	in-vitro
CC[C@@H](Cl)C(=O)c1ccccc1OC	71423550	OBJIVGJNWYFVMQ-SECBINFHSA-N	212.676	2.895	50	40	BFGB	
CCCCCC/C=C\C[C@H]1CC(=O)OC1=O	100165422	CIMXGTDNUHWJCZ-TVRMLOFPSA-N	224.300	2.993	50	40	BFGB	
O=C(N/N=C/[C@@H]1C[C@H]2C=C[C@@H]1C2)C1CCCCC1	225679977	OKUXOAZKYHVMTC-PUTGDEEYSA-N	246.354	2.881	50	40	BFGB	
Cc1cc(N)cc(Br)c1SC#N	226755666	UQSUMHIPPGSQFV-UHFFFAOYSA-N	243.129	2.913	50	40	BFGB	
O=C(O)c1cc(CCl)cc(CCl)c1	306852681	SJRBJSPOTQVIDK-UHFFFAOYSA-N	219.067	2.862	50	40	BFGB	
CCc1nc(C)cc(CBr)c1O	347360	WCKHEFNFKMWANY-UHFFFAOYSA-N	230.105	2.553	50	40	BFGB	biogenic
C=C1CC[C@@](C)(CO)[C@@]1(C)CBr	1448508	JVPCPWZJZTZEOW-UWVGGRQHSA-N	233.149	2.736	50	40	BFGB	
CO/C(=N\[C@H]1CCCC[C@@H]1Cl)SC	5510579	RTXDXCYIRWFVQA-JZGIUJARSA-N	221.753	2.902	50	40	BFGB	
CO/C(C=C(C#N)C#N)=C\c1ccccc1	16189514	CPABYEKIILJDPU-QPEQYQDCSA-N	210.236	2.647	50	40	BFGB	
CC[C@H](Cl)C(=O)c1cc(OC)ccc1OC	71423555	NPJWCSGTGJALFC-JTQLQIEISA-N	242.702	2.904	50	40	BFGB	
BrCc1noc(-c2ccccc2)n1	88107982	DHYAKCGFSLFXTR-UHFFFAOYSA-N	239.072	2.632	50	40	BFGB	
C[C@@H](Cl)C(=O)N[C@H](C)[C@@H]1C[C@@H]2CC[C@@H]1C2	100091988	ZWRHZCDJUHUGET-ILAIQSSSSA-N	229.751	2.555	50	40	BFGB	
Cc1ccc(C(=O)N(N)C2CCCCC2)cc1	1729745	FFYUHYNAZVLFFG-UHFFFAOYSA-N	232.327	2.644	50	40	BFGB	
CCCCNCCO[C@H]1CCC[C@@H]1Cl	5419922	CLPSZZSKWDBFNS-QWRGUYRKSA-N	219.756	2.553	50	40	BFGB	
N#CSc1c[nH]c2c([N+](=O)[O-])cccc12	2541448	IHGLKSNUTFHIAG-UHFFFAOYSA-N	219.225	2.649	50	40	BFGB	
N#C/C(=C\c1ccc(Cl)c(Cl)c1)C(=O)O	6051841	YIHQQDWZQKQXQE-XVNBXDOJSA-N	242.061	2.985	50	40	BFGB	
C=CCO[C@@H]1Nc2ccc(C)cc2C=C1C=O	11615987	BLYKYROJFAFUDM-AWEZNQCLSA-N	229.279	2.532	50	40	BFGB	
COP(=O)(Cc1ccc(/C=C\C#N)o1)OC	17257837	HGNPZVNKJDSJFO-ARJAWSKDSA-N	241.183	2.802	50	40	BFGB	
C[C@H](c1ccc(F)c(F)c1)N(C)C(=O)CCl	37654122	DDENIFWNVVXNSJ-SSDOTTSWSA-N	247.672	2.723	50	40	BFGB	in-vitro
O=C(CCl)c1ccc2cnccc2c1	199753936	LRAXTGXUFDURDN-UHFFFAOYSA-N	205.644	2.656	50	40	BFGB	
CCN(C(=O)C(Cl)Cl)c1ccccc1	1684090	UMXIXMCDRVTRDS-UHFFFAOYSA-N	232.110	2.843	50	40	BFGB	
CN1CCC(CCCBr)CC1	60313580	FNWPOPAMZMTHFH-UHFFFAOYSA-N	220.154	2.503	50	40	BFGB	
Cc1csc(NC(=O)OCCCl)c1C#N	2380495	OJSORDWIVAWRLD-UHFFFAOYSA-N	244.703	2.716	50	40	BFGB	
Cc1cc(C(=O)N/N=C2\C[C@H]3CC[C@@H]2C3)cs1	20352859	JOZQPCNFHUMXHF-BDRBLRLSSA-N	248.351	2.962	50	40	BFGB	
CCCN(C(=O)CCl)c1ccc(O)cc1C	199756123	OCHOHXGNFDGPFD-UHFFFAOYSA-N	241.718	2.682	50	40	BFGB	
BrCc1ncc(-c2ccccc2)[nH]1	958685796	QLZBGBMBUYZURN-UHFFFAOYSA-N	237.100	2.972	50	40	BFGB	
N#C/C=C/c1ccc(Cl)c([N+](=O)[O-])c1	43559242	MXNLIBLJZRWQCL-OWOJBTEDSA-N	208.604	2.785	50	40	BFGB	in-vitro
O[C@H](CCl)CCCCCC[C@@H](O)CCl	1604107	ZNYUYLSLWABHBG-AOOOYVTPSA-N	243.174	2.526	50	40	BFGB	
Cc1cccc(-c2noc(CCl)n2)c1	8729369	MWQGYNOPINNJNN-UHFFFAOYSA-N	208.648	2.784	50	40	BFGB	in-vitro
Cc1sc(NC(=O)[C@@H](C)Cl)c(C#N)c1C	12016196	GXBWILVUQODNPZ-ZCFIWIBFSA-N	242.731	2.802	50	40	BFGB	
CCOC(=O)/C(O)=C(/C#N)c1ccc(C)cc1C	104055598	GNZJUAQMGJFYBK-OUKQBFOZSA-N	245.278	2.659	50	40	BFGB	
N#CC1=C(N)S[C@H]2c3ccccc3CC[C@@H]12	4631855	APQYKRHRNWSRSO-JQWIXIFHSA-N	228.320	2.731	50	40	BFGB	
Fc1cccc(F)c1CCBr	78522998	CTZNDDMTWBDMDR-UHFFFAOYSA-N	221.044	2.902	50	40	BFGB	in-vitro
CC/C(Cc1ccccc1)=N\NC(=O)C1CC1	83312566	NSJLTBFUAFIUNM-FYWRMAATSA-N	230.311	2.521	50	40	BFGB	
O=[S@@](Cl)C(Cl)=C(Cl)Cl	104232039	NLBFKDNVKWCPHK-QMMMGPOBSA-N	213.900	2.732	50	40	BFGB	
O=C(Cl)Cc1ccc(F)cc1Cl	2574155	KRRSVTMKTCLBFZ-UHFFFAOYSA-N	207.031	2.787	50	40	BFGB	
O=C(CCl)Nc1nc2c(F)cccc2s1	20131870	ZTDLNVMXFMYLTR-UHFFFAOYSA-N	244.678	2.613	50	40	BFGB	
O=C(CCl)COc1ccc(Cl)cc1	32013374	TVICFYIGXQRSRN-UHFFFAOYSA-N	219.067	2.527	50	40	BFGB	in-vitro
O=C1C[C@@H](CBr)c2ccccc21	34482728	IFJPEHDYVGGTQI-ZETCQYMHSA-N	225.085	2.752	50	40	BFGB	
O=C(NNc1c(F)cccc1F)c1ccccc1	118510418	SMHYHVWYWSGUON-UHFFFAOYSA-N	248.232	2.722	50	40	BFGB	
COC1[C@@H](C)CC(Br)C[C@@H]1C	1638491	AHSHSFBNBKORAS-MSIFESELSA-N	221.138	2.831	50	40	BFGB	
BrCC[n+]1cccc2ccccc21	1664802	YEJZRWXTHIFGKF-UHFFFAOYSA-N	237.120	2.522	50	40	BFGB	
ClC1(Cl)C[C@@H]1CBr	2510192	KEZQSZUPYPHPKE-GSVOUGTGSA-N	203.894	2.575	50	40	BFGB	in-vitro
C/C(C[C@@H](C)c1ccc(C)cc1)=N\NC(N)=O	4267051	WHXFRAQGKVYCGT-YMQUWAGYSA-N	233.315	2.533	50	40	BFGB	
CCC[C@H]1O[C@@H](CCl)OC[C@H]1CC	4410844	OQXUFCOWGBRGRD-BBBLOLIVSA-N	206.713	2.793	50	40	BFGB	
C/C(=N\NC(=O)Nc1ccccc1)C1CC1	4551468	RKPDCNZENJEYDC-NTEUORMPSA-N	217.272	2.594	50	40	BFGB	
CC(=O)NN=C1c2ccccc2-c2ccccc21	7946559	MJCAGEZJWDDLPM-UHFFFAOYSA-N	236.274	2.556	50	40	BFGB	
CCCCCCOCCOCCCl	16638215	TWBBNRRRQNNSJY-UHFFFAOYSA-N	208.729	2.839	50	40	BFGB	
ClC[C@@H]1CO[C@@H](c2ccccc2Cl)O1	1674888	GIMPQTBULMJYJR-GMSGAONNSA-N	233.094	2.993	50	40	BFGB	
Cc1ccc2nc(CBr)cn2c1	36243533	CDNSFHXSWQIXHW-UHFFFAOYSA-N	225.089	2.538	50	40	BFGB	
Cc1nc(-c2cnn(C)c2)sc1CCCl	83369985	IAIODIZUVTZABR-UHFFFAOYSA-N	241.747	2.633	50	40	BFGB	
CC1(C)[C@@H](OC(=O)CCl)[C@]2(C)CC[C@@H]1C2	104382358	RVNRDQPWNHCQRY-HLUHBDAQSA-N	230.735	2.983	50	40	BFGB	
CC(C)(C)NC(=O)[C@@H](Cl)C(C)(C)C	163885	AVCFCEKGTUULBO-SSDOTTSWSA-N	205.729	2.555	50	40	BFGB	
O=C(NN=C1CCCCCC1)c1ccccn1	5838521	PCLAXTYZHVFATB-UHFFFAOYSA-N	231.299	2.522	50	40	BFGB	
Cc1csc(/C(C#N)=C/c2cccn2C)n1	9376036	AEGBAKMNQVOAOI-UXBLZVDNSA-N	229.308	2.854	50	40	BFGB	
COc1ccc(CBr)cc1OC	22011426	AKPSLMUFDIXDJJ-UHFFFAOYSA-N	231.089	2.599	50	40	BFGB	in-vitro
CC[C@@H]1C(=O)Nc2ccc(C(=O)CCl)cc21	41628291	IMPWFHMFSXEEDX-QMMMGPOBSA-N	237.686	2.554	50	40	BFGB	
FC(F)(F)[C@@H](Cl)C(F)(F)Cl	63148408	XAHBEACGJQDUPF-SFOWXEAESA-N	202.937	2.988	50	40	BFGB	
Br[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21	100182743	CKJQKEYRULLGMO-SQQIUAQRSA-N	213.118	2.982	50	40	BFGB	
Cc1csc(/C(C#N)=C/Nc2ccccn2)n1	102882045	OVXCMGAMGBSRKH-JXMROGBWSA-N	242.307	2.823	50	40	BFGB	
CC(C)=C/C(C)=C(/C#N)C(=O)OC(C)C	1716774	JACFAGXEIOQLCE-KHPPLWFESA-N	207.273	2.744	50	40	BFGB	
C[C@H](Cc1ccc(F)cc1)C(=O)Cl	11977411	HJOAOPVBPDCOFZ-SSDOTTSWSA-N	200.640	2.770	50	40	BFGB	in-vitro
O=[N+]([O-])c1ccc2nc([C@H](F)Cl)[nH]c2c1	72265961	NIGREIJSUYSDFW-ZETCQYMHSA-N	229.598	2.678	50	40	BFGB	
Cl[C@H]1CC[C@H]2CCC[C@@H]1SOO2	101137608	OHMCGSWCNDVWLE-CSMHCCOUSA-N	208.710	2.905	50	40	BFGB	
CO[Si](C)(CCCNC1CCCCC1)OC	169748409	DRRZZMBHJXLZRS-UHFFFAOYSA-N	245.439	2.664	50	40	BFGB	
CC1(C)[C@H](CBr)CC[C@]1(C)C(=O)O	3845902	YQVIHPCUIKAVMS-OIBJUYFYSA-N	249.148	2.908	50	40	BFGB	biogenic
ClCCN[C@H]1c2ccccc2C[C@@H]1Cl	1685671	CTZBHTNSQKDLIH-QWRGUYRKSA-N	230.138	2.720	50	40	BFGB	
CC(C)CC(=O)N/N=C1\CCC[C@@H](C)C1	4646855	CKTWVRAOZKOYFB-IMTQZCPYSA-N	210.321	2.715	50	40	BFGB	
CCC/C=N/NC(=O)c1ccc(C)cc1C	6046561	GHZZCFLIKXHLSM-RIYZIHGNSA-N	218.300	2.819	50	40	BFGB	
C/C(=N\NC(=O)c1ccccc1C)c1ccco1	12341676	LQGXFMYXUUTMEX-RVDMUPIBSA-N	242.278	2.742	50	40	BFGB	
CC(C)C(=O)Oc1ccc(CCl)cc1	74942519	WWDNAJZWTNIHGH-UHFFFAOYSA-N	212.676	2.987	50	40	BFGB	
CC(C)N(C(=O)CCl)[C@@H](C)c1nccs1	79436215	CAWUVXXMPVVPNE-QMMMGPOBSA-N	246.763	2.680	50	40	BFGB	
CCOc1cc(C(=O)Cl)cc(F)c1F	95739458	LJDWXYFFINTADL-UHFFFAOYSA-N	220.602	2.743	50	40	BFGB	
CN(NC(=O)NC1CCCCC1)c1ccccc1	6638167	KJXDKJNNDOEVRT-UHFFFAOYSA-N	247.342	2.670	50	40	BFGB	
COc1cc(F)cc(C(=O)[C@@H](C)Cl)c1	238350784	FWMSMSGATCDMQJ-ZCFIWIBFSA-N	216.639	2.644	50	40	BFGB	
ClC[C@H]1[C@H](CCl)C1(Cl)Cl	159494	XOTCLDWXPXVFHO-IMJSIDKUSA-N	207.915	2.884	50	40	BFGB	
C[C@@H](Cl)[C@@H](Sc1ccccc1)C(=O)O	2271210	QAMGZEOUHTYHOY-VXNVDRBHSA-N	230.716	2.859	50	40	BFGB	
CCOc1ccc(CBr)cc1	12505055	QAYLIWBLUTYRTC-UHFFFAOYSA-N	215.090	2.980	50	40	BFGB	in-vitro
COc1cc(Cl)c(Cl)c(/C=C/C=O)c1O	40546206	XVUMZFMIDBIZBB-NSCUHMNNSA-N	247.077	2.920	50	40	BFGB	
C[C@@]1(CCl)COc2ccccc2C1=O	45929606	LJLYSDVGXRWIJT-LLVKDONJSA-N	210.660	2.507	50	40	BFGB	
Cc1cccc(NC(=O)C(Cl)Cl)c1	1685800	JUXKBLADHIZLJE-UHFFFAOYSA-N	218.083	2.737	50	40	BFGB	
Cc1cccc(C(=O)NN=C2CCCC2)c1	112412	ZBXIDPLSFDCFLL-UHFFFAOYSA-N	216.284	2.655	50	40	BFGB	
N#CC(C#N)=Cc1cc(O)ccc1Br	2798860	WHLMPJAINDAYPM-UHFFFAOYSA-N	249.067	2.585	50	40	BFGB	
C/C=C(/C)C(=O)N/N=C\C=C/c1ccccc1	17128849	JOQXIPILJBRWIQ-MEIAIJBWSA-N	228.295	2.768	50	40	BFGB	
N#CC(C#N)=CC1=C(N2CCCC2)CCCC1	49946875	IOUIJVOEWWITCG-UHFFFAOYSA-N	227.311	2.884	50	40	BFGB	
Cc1cc(CBr)ccc1C#N	88190194	KGLCJUZLNDBRMF-UHFFFAOYSA-N	210.074	2.762	50	40	BFGB	in-vitro
N#CC(C#N)=COCc1ccc(Cl)cc1	223001573	WTJJJOWFUDAEHO-UHFFFAOYSA-N	218.643	2.788	50	40	BFGB	
N#CC(C#N)=Cc1ccc(C=C(C#N)C#N)cc1	143079	GFHNYZLHHUFONA-UHFFFAOYSA-N	230.230	2.548	50	40	BFGB	
COc1ccc(/C=N/C2=C(C#N)CCC2)cc1O	500789	WOCDFEWUAAEJRL-CXUHLZMHSA-N	242.278	2.781	50	40	BFGB	
CCCCCC[C@H](C)NC(=O)CCl	4219137	QEPZCHRQMLMYTA-VIFPVBQESA-N	205.729	2.700	50	40	BFGB	in-vitro
O=[S@](CCCl)c1ccc(Cl)cc1	32628193	ABPUJGQRGDWCBZ-LBPRGKRZSA-N	223.124	2.686	50	40	BFGB	in-vitro
COC(=O)/C(C#N)=C1/C[C@@H]2CC[C@]1(C)C2(C)C	104834936	FPTXIHVRRSJXID-PAFKCOJZSA-N	233.311	2.826	50	40	BFGB	
COC(=O)N/N=C/c1ccc(-c2ccccc2)o1	179156	RDSYNAAMXBJGBX-NTEUORMPSA-N	244.250	2.637	50	40	BFGB	
CC(C)NC(=O)/C(C#N)=C/c1cccc(Cl)c1	5131301	XOTCDSUBUDJZSM-IZZDOVSWSA-N	248.713	2.772	50	40	BFGB	
[C-]#[N+][C@@H](Cc1ccccc1)C(=O)N1CCCCC1	100263210	UFZUARSQMXJQBD-AWEZNQCLSA-N	242.322	2.529	50	40	BFGB	
CCC[C@H](NC(=O)CCl)c1ccccc1	3349697	FIVPETANTXQLAD-NSHDSACASA-N	225.719	2.883	50	40	BFGB	in-vitro
C[C@@H](NC(=O)CCl)c1ccccc1Cl	3888027	KDQQUHDAQIQHCW-SSDOTTSWSA-N	232.110	2.756	50	40	BFGB	
Fc1cc(F)c(F)c(N=C=S)c1F	4290067	QUNNLKBODYSOQL-UHFFFAOYSA-N	207.151	2.977	50	40	BFGB	in-vitro
C/C(=N\NC(=O)c1ccccc1)c1cccs1	4547138	FDMVTSJWRWLLPM-GXDHUFHOSA-N	244.319	2.902	50	40	BFGB	
CC(=O)O[C@H]1C[C@H]2c3ccccc3[C@@H]1[C@@H]2Cl	5049101	NLHOTHYTGKMXGX-ZDEQEGDKSA-N	236.698	2.810	50	40	BFGB	
C/C=C(/C)C(=O)N/N=C/C=C\c1ccccc1	5566253	JOQXIPILJBRWIQ-GPVGMZLLSA-N	228.295	2.768	50	40	BFGB	
O=C(N/N=C1/C[C@@H]2C=CC[C@@H]12)c1ccc(F)cc1	6332129	SGLWKWOLBKMRQQ-ZUZJPYFPSA-N	244.269	2.508	50	40	BFGB	
O=C(CCl)Nc1ccccc1C(F)F	16970356	ILTRSBJYCQKGLE-UHFFFAOYSA-N	219.618	2.802	50	40	BFGB	
O=C(CCl)Oc1ccc(-n2cccc2)cc1	4170847	BAOZKUQEQGGLIZ-UHFFFAOYSA-N	235.670	2.622	50	40	BFGB	
C/C(CC(C)C)=N\NC(=O)C1[C@H]2CCCC[C@@H]12	17921164	FTYUJGZRCYECNZ-PBGFZJSISA-N	236.359	2.961	50	40	BFGB	
CCOc1cc(/C=C/C#N)ccc1OC	43559230	OKTPCKVVDSYWLW-SNAWJCMRSA-N	203.241	2.631	50	40	BFGB	in-vitro
O=C(Cl)c1ccc2cc(O)ccc2c1	67801582	UTFQLMARJGZTHW-UHFFFAOYSA-N	206.628	2.924	50	40	BFGB	
O=[N+]([O-])c1cc(CCl)c(O)c(C(F)F)c1	575629094	JDDGFPATWDEQEB-UHFFFAOYSA-N	237.589	2.977	50	40	BFGB	
COc1ccc(C(=O)CCCl)cc1OC	1686365	GLABCVXPGIHMGU-UHFFFAOYSA-N	228.675	2.515	50	40	BFGB	in-vitro
O=C(Cl)COc1ccc2ccccc2c1	6342719	PAOBXXMBVWFWMR-UHFFFAOYSA-N	220.655	2.984	50	40	BFGB	in-vitro
O=C(CCl)N1CCC[C@H]1c1ccccc1	36134302	KBQFZQRLMFTBOY-NSHDSACASA-N	223.703	2.589	50	40	BFGB	
CC[C@@H]1c2ccsc2CCN1C(=O)CCl	37497099	ZYOBJILPBCUEEZ-SECBINFHSA-N	243.759	2.823	50	40	BFGB	in-vitro
Br[C@@H]1CCc2ccccc2C1	57218425	IBMAISVTUOJFGF-SNVBAGLBSA-N	211.102	2.939	50	40	BFGB	
O=C(O)CCSSc1ccccc1	1626932	NXUCJQDFFAZRSX-UHFFFAOYSA-N	214.311	2.902	50	40	BFGB	
C[C@@H](Cl)C(=O)NC[C@H](C)c1ccccc1	3434796	DNKIAYZEDJPQEY-VHSXEESVSA-N	225.719	2.534	50	40	BFGB	
Cc1ccc2c(c1)N[C@H](Cl)N[C@@H]2Cl	100252400	GORATHZBKDNINS-IUCAKERBSA-N	217.099	2.770	50	40	BFGB	
CN(C(=O)CCl)c1cccc2ccc(O)cc12	199755003	YSLGELKENGVUHU-UHFFFAOYSA-N	249.697	2.747	50	40	BFGB	
CCC(CC)C(=O)OCCSCCCl	1668699	OEPASTVOYOFZAR-UHFFFAOYSA-N	238.780	2.938	50	40	BFGB	
O=C(NN=C1CCCCC1)c1ccc(F)cc1	4685347	LBOHKHSTJLHFAW-UHFFFAOYSA-N	234.274	2.876	50	40	BFGB	
C/C(=N\NC(=O)c1ccc(Cl)cc1)C1CC1	12339550	BFAKLFYPRAVPAK-RIYZIHGNSA-N	236.702	2.856	50	40	BFGB	
C[C@@H](Oc1ccc(Cl)cc1)C(=O)Cl	33433460	OTNNCYBJOMYVRC-ZCFIWIBFSA-N	219.067	2.873	50	40	BFGB	
COc1ccc2cc(C(=O)Cl)[nH]c2c1	98213518	FLULOIZFBXUYEW-UHFFFAOYSA-N	209.632	2.556	50	40	BFGB	
C[C@H](CCl)[C@H](C)NC(=O)[C@@H]1CCCCS1	228794149	FJWJWMDCYDGDJF-UTLUCORTSA-N	249.807	2.652	50	40	BFGB	
CC12COC(CCCCCCl)(OC1)OC2	526051547	BZPCHNFIELCLLR-UHFFFAOYSA-N	234.723	2.523	50	40	BFGB	
O=C(N/N=C/c1ccsc1)c1ccccc1	4752691	BWKMTZLKKXIGJX-MDWZMJQESA-N	230.292	2.512	50	40	BFGB	
Cc1ccc([C@@H](NC(=O)CCl)C2CC2)cc1	12505721	QUKJMGDPNLXOHI-CYBMUJFWSA-N	237.730	2.801	50	40	BFGB	in-vitro
Cc1ccccc1CN(C)C(=O)[C@@H](C)Cl	35206769	XRYCWYJUPYMVCG-SNVBAGLBSA-N	225.719	2.581	50	40	BFGB	in-vitro
COc1cccc2[nH]cc(CCCl)c12	199557636	ACLLCZPZFUHFGZ-UHFFFAOYSA-N	209.676	2.958	50	40	BFGB	
CCCn1c(C)cc(/C=C(/C#N)C(N)=S)c1C	4206641	UXDWNBDZMMCIHD-GHXNOFRVSA-N	247.367	2.708	50	40	BFGB	
COc1cc(C)ccc1/C=C/C(=O)Cl	20154473	AJFQVXMNQLWZGG-AATRIKPKSA-N	210.660	2.782	50	40	BFGB	
Cc1cccc(CN(C(=O)CCl)C2CC2)c1	33466354	QSFZRYOIAJDCEQ-UHFFFAOYSA-N	237.730	2.725	50	40	BFGB	
CCOC(=O)C[C@H](Cl)c1ccccc1	34455588	PXQAQGIZUIQDMA-JTQLQIEISA-N	212.676	2.920	50	40	BFGB	
COc1ccc(Cl)cc1C#CCCl	37470644	HCNIGXRHUFXPCR-UHFFFAOYSA-N	215.079	2.939	50	40	BFGB	
O=C(CCl)c1cc2ccccc2cn1	142778983	FTNHSDLZQCYHJF-UHFFFAOYSA-N	205.644	2.656	50	40	BFGB	
CC1(C)CCC[C@@H](Br)C1=O	2033615	NQKPKIZHPZWYJJ-ZCFIWIBFSA-N	205.095	2.529	50	40	BFGB	
Cc1cc(C(=O)CCl)cc(C)c1F	71372420	JOYMXRQJCIZXRF-UHFFFAOYSA-N	200.640	2.864	50	40	BFGB	in-vitro
CC(C)(C)OC(=O)N1CC[C@H](CCCl)C1	84303437	QBFJJWWERKMUEE-VIFPVBQESA-N	233.739	2.872	50	40	BFGB	
COc1ccc(Br)c(CCl)n1	230489389	IOFKUOOVYHRHGT-UHFFFAOYSA-N	236.496	2.592	50	40	BFGB	
FC(F)C(F)(F)CCBr	2526211	FBWAAGBNRJEZIO-UHFFFAOYSA-N	208.980	2.672	50	40	BFGB	
C/C(CCC(C)C)=N\NC(=O)c1ccc(O)cc1	5163657	PXZBJTIKXMFTJP-RVDMUPIBSA-N	248.326	2.934	50	40	BFGB	
CCCC[C@@H](CC)COC(=O)CSC#N	2508125	OIUMRZMNCUVNHX-SNVBAGLBSA-N	229.345	2.960	50	40	BFGB	
CCCCOC(=O)[C@@H](Br)CC	5821415	DKZLMRKANVHJGG-ZETCQYMHSA-N	223.110	2.503	50	40	BFGB	
CN(C)/C=C(\C#N)c1c[nH]c2ccccc12	49466401	ZHPKSSFQSJSNHB-MDZDMXLPSA-N	211.268	2.594	50	40	BFGB	
Cc1ccc2c(CCl)cc(=O)oc2c1F	85399649	KGWUCHKURAHYAR-UHFFFAOYSA-N	226.634	2.979	50	40	BFGB	
CCCCCC[C@@H]1OC[C@@H](CCl)O1	1674868	MQNUIGUARMRLPC-NXEZZACHSA-N	206.713	2.937	50	40	BFGB	
COc1ccccc1[P@@](C)(=O)c1ccccc1	1580109	PYYPLTLIHKSZON-KRWDZBQOSA-N	246.246	2.639	50	40	BFGB	
CC[C@H](CNC(=O)[C@H](C)Cl)c1ccccc1	4206104	WIKKHIBCQBDBRJ-WDEREUQCSA-N	239.746	2.924	50	40	BFGB	
CC(C)C/C=N\NC(=O)[C@@H](C)Oc1ccccc1	5044223	CPLRWPUDQLSEIH-DYTQJMLRSA-N	248.326	2.602	50	40	BFGB	
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)CCl)C1	5303341	HGYJGKCRBKBQGD-BXKDBHETSA-N	229.751	2.652	50	40	BFGB	
C/C(=N\NC(=O)c1ccccc1F)c1ccco1	12410250	FDHHRIWWXJJMMZ-OQLLNIDSSA-N	246.241	2.573	50	40	BFGB	
O=C(CCl)COc1cccc(Cl)c1	32013373	UYIWBQNTXXLEOO-UHFFFAOYSA-N	219.067	2.527	50	40	BFGB	
CCOC(=O)CCC[Si](C)(C)OCC	201131146	OZEOMUIGDMJGGO-UHFFFAOYSA-N	218.369	2.571	50	40	BFGB	
CC1(C)[C@]2(C)CC[C@@]1(C(=O)O)[C@H]2Br	2451985	OBHCEFJZOKLDIF-QUNWWBBNSA-N	247.132	2.661	50	40	BFGB	
N#C/C(=C\c1ccccc1)C(=O)N1CCCCC1	3013919	FCWLKACSSGSTBN-SDNWHVSQSA-N	240.306	2.606	50	40	BFGB	
CCOC(=O)N/N=C\c1cccc2ccccc12	31687297	ZIEALNVREIYYPG-GDNBJRDFSA-N	242.278	2.920	50	40	BFGB	
O=C(F)OC(C(F)(F)F)C(F)(F)F	219009664	UYDCEGMVUYVLBY-UHFFFAOYSA-N	214.036	2.586	50	40	BFGB	
C[C@H](NC(=O)CCl)c1ccc(Cl)cc1	3887982	LHQVFSANFAUBFJ-ZETCQYMHSA-N	232.110	2.756	50	40	BFGB	
Cc1cc([N+](=O)[O-])ccc1CBr	39259526	KEQVEPTWWMCODQ-UHFFFAOYSA-N	230.061	2.798	50	40	BFGB	
O=[N+]([O-])c1ccc(OCCl)c2ncccc12	86491166	DNGZECKJLHQYBR-UHFFFAOYSA-N	238.630	2.718	50	40	BFGB	
Cc1ccc(C[C@@H](C#N)SC#N)cc1	146386	QUXBGUAZBTXLGQ-NSHDSACASA-N	202.282	2.644	50	40	BFGB	
CSCC1(CBr)CCC1	83173285	RLZCRIQBVZBXNZ-UHFFFAOYSA-N	209.152	2.915	50	40	BFGB	in-vitro
CC(C)NN(C(=O)CCc1ccccc1)C(C)C	18193521	RUGXZHQRAIOQFG-UHFFFAOYSA-N	248.370	2.769	50	40	BFGB	
Cc1ccccc1C(=O)N/N=C/c1ccccc1	362236	OGPWPXOUEMTHSD-LFIBNONCSA-N	238.290	2.759	50	40	BFGB	
O=C(CCl)n1c(=S)oc2ccccc21	541262	IOQVASUHBYEGNH-UHFFFAOYSA-N	227.672	2.843	50	40	BFGB	
O=C(CCl)Nc1nc(-c2ccco2)cs1	6527068	IEHSBPWJUKTVHU-UHFFFAOYSA-N	242.687	2.580	50	40	BFGB	
COc1cccc(C=O)c1OCCCCl	9261515	DZAUDJDHWOHOJO-UHFFFAOYSA-N	228.675	2.515	50	40	BFGB	
COc1cc(C(=O)Cl)ccc1Br	95836257	NWBXIGBKXBWIEE-UHFFFAOYSA-N	249.491	2.837	50	40	BFGB	
COC(=O)[C@H](Br)CC1CCCC1	95929954	IBRYTPZFAFCZGH-MRVPVSSYSA-N	235.121	2.503	50	40	BFGB	
CCc1ccc(/C=N\NC(=O)c2ccco2)cc1	30707887	CGMGNIOCRGKDNT-GDNBJRDFSA-N	242.278	2.606	50	40	BFGB	
Cc1nc(Cl)nc(Cl)c1CCCl	32220320	ZEDIRTAHPSPMSW-UHFFFAOYSA-N	225.506	2.873	50	40	BFGB	in-vitro
Cn1nc(C(F)(F)F)c(CCl)c1Cl	34975496	YCZXEKXZNMMTDA-UHFFFAOYSA-N	233.020	2.831	50	40	BFGB	in-vitro
ClCc1nc(C2(c3ccccc3)CC2)no1	43224424	BHIOSKAQIABOQN-UHFFFAOYSA-N	234.686	2.888	50	40	BFGB	
C/C(=N/NC(=O)c1cccc(C)c1)C1CC1	4018184	UWMAGQFXHTTZAE-UVTDQMKNSA-N	216.284	2.511	50	40	BFGB	
CCCCN(C(=O)CCl)[C@@H](C)CC	4219087	ZEBKBIWGMKJWNG-VIFPVBQESA-N	205.729	2.652	50	40	BFGB	in-vitro
CC(C)N(Cc1ccc(F)cc1)C(=O)CCl	32101426	RWHIHUUWWKTSDG-UHFFFAOYSA-N	243.709	2.802	50	40	BFGB	
O=C(CCCl)NCCSc1ccccc1	32911284	JNVJIDRTXYBFAB-UHFFFAOYSA-N	243.759	2.524	50	40	BFGB	
CC[C@](C)(O)/C(=C/C#N)n1cnc2ccccc21	1511117	BQQUPRNGHWSBCP-MQJVFOOVSA-N	241.294	2.562	50	40	BFGB	
Cc1ccc(OC(F)F)c(NC(=O)CCl)c1	2552459	IDCKAAUXELFYPS-UHFFFAOYSA-N	249.644	2.774	50	40	BFGB	
FC(F)Oc1ccc(CBr)nc1	86795005	HBUKBPSXTGUPGD-UHFFFAOYSA-N	238.031	2.578	50	40	BFGB	
Cc1occc1C(=O)N/N=C/[C@@H]1C[C@H]2C=C[C@H]1C2	102179983	NUPFPBLLUREADH-ORWUYRNWSA-N	244.294	2.516	50	40	BFGB	
CCCC/C(C)=N\NC(=O)c1ccccc1OC	17282174	VCBQVDUGGABQCR-PTNGSMBKSA-N	248.326	2.991	50	40	BFGB	
F[C@@H](I)C(F)(F)Cl	63148356	XONGRFUEHPBOBB-SFOWXEAESA-N	244.381	2.549	50	40	BFGB	
O=C(CCl)c1cc(Cl)ncc1Cl	199753564	HFOUUUDZTFKTBF-UHFFFAOYSA-N	224.474	2.810	50	40	BFGB	
CCCCCC(=O)NNc1ccccc1	1566642	JNYDNDYQMLMORH-UHFFFAOYSA-N	206.289	2.710	50	40	BFGB	
COC(=O)/C(C#N)=C/c1ccc(C(C)C)cc1	2571747	RULDCKGYSXXUAA-MDWZMJQESA-N	229.279	2.890	50	40	BFGB	
CC(C)[C@@H](NC(=O)CCl)c1ccccc1	12505010	GXLTWDBSFDIWOA-GFCCVEGCSA-N	225.719	2.739	50	40	BFGB	in-vitro
COc1ccc(Br)cc1/C=C\C=O	17426921	STTFCXMNHDTMJN-IHWYPQMZSA-N	241.084	2.670	50	40	BFGB	
Cn1ccnc1[C@@H](Cl)c1ccccc1	22115135	HDTDHSYUTBBFTK-JTQLQIEISA-N	206.676	2.748	50	40	BFGB	
CC1=C[C@@]23CCCC[C@]2(C=C1C)C(=O)OC3=O	103935975	BDAXQJBYSKZQLN-OKILXGFUSA-N	232.279	2.523	50	40	BFGB	
O=C(F)c1cccc(OC(F)(F)Cl)c1	2504538	VSRASVHPMHKNED-UHFFFAOYSA-N	224.565	2.964	50	40	BFGB	
C[C@@H](Cl)C(=O)c1ccc(F)cc1F	12504941	QDXQWKIKBKUTRB-RXMQYKEDSA-N	204.603	2.775	50	40	BFGB	in-vitro
N#C/C(=C\c1ccco1)C(=O)c1ccco1	4322778	JMLKLNIGDBIHNQ-VQHVLOKHSA-N	213.192	2.662	50	40	BFGB	
CCN1C(=CC#N)N(CC)c2ccccc21	5795283	MGQVTSOWLAODES-UHFFFAOYSA-N	213.284	2.718	50	40	BFGB	
C/C(=N\NC(=O)OC(C)(C)C)c1ccco1	13140488	HWHKIBIMLPQWAL-XYOKQWHBSA-N	224.260	2.528	50	40	BFGB	
O=C=Nc1cc(F)ccc1Br	19506185	AWCNLWWTRCCGAB-UHFFFAOYSA-N	216.009	2.556	50	40	BFGB	
O=C(Cl)c1nsc(Cl)c1Cl	90476817	MIPDGENRSWVXEQ-UHFFFAOYSA-N	216.476	2.829	50	40	BFGB	
ClCc1cc(Cl)c2c(c1)OCO2	12504965	HIBLZHMSBAYVEO-UHFFFAOYSA-N	205.040	2.808	50	40	BFGB	in-vitro
COc1cccc(O[C@H](C)CBr)c1	41291821	SWRWENBPURHIBM-MRVPVSSYSA-N	245.116	2.857	50	40	BFGB	
IC[C@H]1C[C@H]2CC[C@H]1C2	100254853	CVFNHQHHCQFJDT-BIIVOSGPSA-N	236.096	2.858	50	40	BFGB	
C/C(C=O)=C\c1c[nH]c2ccc(F)cc12	228919309	BJTQPIQWPNFFRY-XBXARRHUSA-N	203.216	2.909	50	40	BFGB	
CCOC(=O)C[C@H]1CC[C@H](C(=O)Cl)CC1	514278305	BPUZBYSSUDGZSO-KYZUINATSA-N	232.707	2.511	50	40	BFGB	
CC[C@@H](c1ccccc1)N(C)C(=O)CCl	79418708	GPLKZQIHNJHODI-NSHDSACASA-N	225.719	2.835	50	40	BFGB	
O=C(Cl)C[C@@H](C(=O)Cl)c1ccc(F)cc1	100687957	QGYOBXCEYNWYDH-MRVPVSSYSA-N	249.068	2.830	50	40	BFGB	
Cc1cccc(C[C@H](Br)C#N)c1	5214598	LMGKTFZOUIZMCC-JTQLQIEISA-N	224.101	2.825	50	40	BFGB	
C[C@H]1C[C@@H](OC(=O)CSC#N)CC(C)(C)C1	1672276	QAMJSLWZOIZUIZ-VHSXEESVSA-N	241.356	2.959	50	40	BFGB	
C/C(=N\NC(=O)c1cccs1)c1ccccc1	4602457	QTOLPPOBVJBVNE-GXDHUFHOSA-N	244.319	2.902	50	40	BFGB	
CC(C)N(C(=O)CCCCl)C(C)C	36438749	HOSYQMBAZLKTJR-UHFFFAOYSA-N	205.729	2.651	50	40	BFGB	
CC1=CC[C@@H](COC(=O)CCl)CC1	5416343	WGIASZMCJZNQMX-SECBINFHSA-N	202.681	2.515	50	40	BFGB	
Fc1ncc(Cl)cc1CBr	90411367	KUUADOFVLHENQU-UHFFFAOYSA-N	224.460	2.769	50	40	BFGB	
Cc1ccc([N+](=O)[O-])c(C)c1C(=O)Cl	1676670	ALFLTCILZQYZQW-UHFFFAOYSA-N	213.620	2.591	50	40	BFGB	
CC1=C/C(=N\NC(=O)c2cc(C)oc2C)CC1	5119614	QLXOIOXXGRUPCL-KAMYIIQDSA-N	232.283	2.722	50	40	BFGB	
Cn1ccc(-c2cccc(CCl)c2)n1	12370662	XEIKNZPKJWESHW-UHFFFAOYSA-N	206.676	2.826	50	40	BFGB	in-vitro
Cn1ccn(C(F)(F)[C@@H](F)Cl)c1=S	14162501	ACTGHZXMJLLJNN-SCSAIBSYSA-N	230.642	2.640	50	40	BFGB	
N#CCCCSSCCCC#N	73647993	WIQHEOQOKNIBOD-UHFFFAOYSA-N	200.332	2.975	50	40	BFGB	
C#CCCCCCC(=O)CBr	198871537	OQDGGJJQSQPDAL-UHFFFAOYSA-N	217.106	2.534	50	40	BFGB