smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
Cc1cc(C#CCCl)ccc1F	57840749	YUIXIDLFRXKZCD-UHFFFAOYSA-N	182.625	2.724	50	40	AFGB	
CCO[C@H](Cl)C=C(Cl)Cl	196503473	DAILUFGYDGMJDD-YFKPBYRVSA-N	189.469	2.907	50	40	AFGB	
Cc1cc(Cl)nc(CCl)c1	95761920	MJKOGICBHJBHCP-UHFFFAOYSA-N	176.046	2.782	50	40	AFGB	
F/C(Cl)=C(\Cl)CCl	98210413	WKSRNEPGRBMIKG-IHWYPQMZSA-N	163.406	2.841	50	40	AFGB	
O=C(Cl)Oc1ccc(F)cc1F	107136185	FNNSHABLLQXXID-UHFFFAOYSA-N	192.548	2.702	50	40	AFGB	in-vitro
CC(C)CNCCCCCCl	1685554	MKLIEUWTQWGDDI-UHFFFAOYSA-N	177.719	2.641	50	40	AFGB	
C[C@@H](Br)c1cccnc1	36894553	AYQGLQWVPNMQEI-ZCFIWIBFSA-N	186.052	2.538	50	40	AFGB	
CC(C)=C[C@@H]1[C@@H](C(=O)Cl)C1(C)C	2019236	VNTCVNLNEOVBEE-SFYZADRCSA-N	186.682	2.990	50	40	AFGB	
C[C@@H](Cl)CN(C)Cc1ccccc1	6491784	LVSDBWHFLHHZEH-SNVBAGLBSA-N	197.709	2.746	50	40	AFGB	
CCC[C@H](Cl)CCC(=O)Cl	96024951	BWRMBUSZHMRJJK-LURJTMIESA-N	183.078	2.940	50	40	AFGB	
C[C@@H]1CCCC[C@@H]1N=C=S	4200473	PZMGXEOAUNVRIR-SFYZADRCSA-N	155.266	2.668	50	40	AFGB	in-vitro
C/C(=C\C(=O)Cl)c1ccccc1	98213477	LHHGHDLKIQTTRT-BQYQJAHWSA-N	180.634	2.855	50	40	AFGB	
CCCCO[P@](C)(=O)Cl	196424025	JQAAUQJMUJWSPY-VIFPVBQESA-N	170.576	2.865	50	40	AFGB	
CC(C)C[C@H](C)Br	49942693	IUXIOXCOPJFKMQ-LURJTMIESA-N	165.074	2.816	50	40	AFGB	
N#C[C@@H](CCCl)c1ccccc1	66054822	QATMNEWCJVVAJK-SNVBAGLBSA-N	179.650	2.923	50	40	AFGB	
CCCO[C@H]1CCCC[C@@H]1Cl	5431464	NABGZHYZDHRVJQ-IUCAKERBSA-N	176.687	2.963	50	40	AFGB	
Cc1cc(Cl)nc([C@H](C)Cl)n1	62701748	HSNHVODQBKSRJD-YFKPBYRVSA-N	191.061	2.738	50	40	AFGB	in-vitro
CCOc1ccc(C#CCCl)cc1	37470634	QGUJGRCYYNRJHU-UHFFFAOYSA-N	194.661	2.676	50	40	AFGB	
O=C(Cl)CCc1ccc(F)cc1	40543375	KAGDRELXVLNWDO-UHFFFAOYSA-N	186.613	2.524	50	40	AFGB	in-vitro
CCN(C)c1cc(C)c(CCl)cn1	72223225	KAZSXBXQOQZNCR-UHFFFAOYSA-N	198.697	2.585	50	40	AFGB	
CCCC[S@](=O)[C@@H](Cl)CCC	5064063	FHWJLZBLAFUSGT-LDYMZIIASA-N	196.743	2.900	50	40	AFGB	
CCCc1nc(CCl)cs1	12505706	PAZHFVKPFFPSEK-UHFFFAOYSA-N	175.684	2.834	50	40	AFGB	in-vitro
Cc1cc2nc(CCl)[nH]c2cc1C	336899	UNLOVTKVVHNHED-UHFFFAOYSA-N	194.665	2.919	50	40	AFGB	
FC1(F)C[C@@H](CCl)C1(F)F	8100907	OXWJVEJIBUWIIX-VKHMYHEASA-N	176.540	2.516	50	40	AFGB	
CCc1ccc(OC)c(CCl)c1	82529862	UCKKIUKFDJBVDG-UHFFFAOYSA-N	184.666	2.996	50	40	AFGB	
C[C@@H](Cl)C(Cl)(Cl)Cl	2031011	FEKGWIHDBVDVSM-UWTATZPHSA-N	181.877	2.984	50	40	AFGB	
O=C/C=C\c1ccccc1Cl	83406679	HGBCDXOKFIDHNS-HYXAFXHYSA-N	166.607	2.552	50	40	AFGB	
Cc1cc(CCl)cnc1NC1CC1	72222757	WWEVDVREDITJHX-UHFFFAOYSA-N	196.681	2.703	50	40	AFGB	
C[C@@H]1CCCC[C@H]1OCCCl	32628010	QVPLQHPIDIZPJB-RKDXNWHRSA-N	176.687	2.821	50	40	AFGB	in-vitro
N#C[C@H](Cl)c1cccc(F)c1	45626754	DDAATIQWKOGKRI-QMMMGPOBSA-N	169.586	2.629	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@@H]([C@H]3CC=C[C@@H]32)[C@H]1Cl	100498165	YKPBRMJPNZXKRN-UCKHGQTESA-N	197.665	2.571	50	40	AFGB	
CC(=O)[C@@H](Cl)c1ccc(F)cc1	32007954	VRBNVDPZTSCHLJ-SECBINFHSA-N	186.613	2.695	50	40	AFGB	in-vitro
[C-]#[N+]Cc1cccc(Br)c1	104373454	ASSSIZVWBFJCHM-UHFFFAOYSA-N	196.047	2.868	50	40	AFGB	
BrCc1cccs1	36466574	QZOBOLDDGXPTBP-UHFFFAOYSA-N	177.066	2.643	50	40	AFGB	in-vitro
CCCCCCC(=O)OCCCl	1848536	YRDZBAQVWWMMSG-UHFFFAOYSA-N	192.686	2.739	50	40	AFGB	
Cc1ccccc1OC(=O)Cl	5782938	FYFLCWYDZJJMDE-UHFFFAOYSA-N	170.595	2.733	50	40	AFGB	
COc1cccc(CCl)c1F	75898732	HDADXTHUZVRVIO-UHFFFAOYSA-N	174.602	2.573	50	40	AFGB	
CC[Si](C)(CC)CCl	195760906	DHIFZAIOHPEBAT-UHFFFAOYSA-N	150.725	2.883	50	40	AFGB	
CCCCN(CCCl)CCCl	1698373	SXPGFJZLDDFUHA-UHFFFAOYSA-N	198.137	2.566	50	40	AFGB	
CCN(C)c1ccc(CCl)c(C)n1	72224268	OLOAJIBVOBTDDG-UHFFFAOYSA-N	198.697	2.585	50	40	AFGB	
CCC[C@H](Br)CC	2027021	IOZOJWNUKLCDML-ZCFIWIBFSA-N	165.074	2.960	50	40	AFGB	
CC[C@H](Cl)C(=O)c1ccccc1	1995619	RWAKBGVDMQRDNA-VIFPVBQESA-N	182.650	2.887	50	40	AFGB	
ClCc1ccc2cccnc2c1	34239896	LZTNYGWHNOXGHW-UHFFFAOYSA-N	177.634	2.974	50	40	AFGB	
C[C@@H](Cl)Cc1ccccc1	2048774	CKWAHIDVXZGPES-MRVPVSSYSA-N	154.640	2.856	50	40	AFGB	
Cc1ccc([C@H](C)C(=O)Cl)cc1	34411697	CBLJJIJBOWHEHH-QMMMGPOBSA-N	182.650	2.864	50	40	AFGB	
CO[Si](CC(C)C)(OC)C(C)C	169806500	XFAOZKNGVLIXLC-UHFFFAOYSA-N	190.359	2.787	50	40	AFGB	
C[C@H]1CC[C@H](C(=O)Cl)CC1	245338737	ODYARUXXIJYYNA-LJGSYFOKSA-N	160.644	2.578	50	40	AFGB	
O=C=Nc1ccc(-c2ccco2)cc1	12370208	VSHIYROPEPGJND-UHFFFAOYSA-N	185.182	2.914	50	40	AFGB	
FC(F)=C(Cl)CCl	1699990	XPRPUIGRQWCMGD-UHFFFAOYSA-N	146.951	2.572	50	40	AFGB	
COc1cc2c(cc1C)[C@@H](Cl)C2	3848168	IUMJGWDDJBYBSK-VIFPVBQESA-N	182.650	2.840	50	40	AFGB	
O=C(Cl)c1cnc2ccccc2c1	40447999	HNUSZIQSLZBZTO-UHFFFAOYSA-N	191.617	2.614	50	40	AFGB	
N#C/C(=C/c1ccco1)c1ccccn1	96021639	LKJHJTICKWIBSZ-NTMALXAHSA-N	196.209	2.739	50	40	AFGB	
ClCc1cncn1C1CCCC1	19090582	VYUMKCJRMCEFJE-UHFFFAOYSA-N	184.670	2.737	50	40	AFGB	
O=C(F)c1ccc(F)c(Cl)c1	2575687	DPTKNPFAROLZMD-UHFFFAOYSA-N	176.549	2.589	50	40	AFGB	
O=CCCCCCCBr	39234231	UXHBEJHWPUSRJH-UHFFFAOYSA-N	193.084	2.531	50	40	AFGB	in-vitro
CC1=C(c2ccccc2)[C@H](Cl)C1=O	336279	KCZORHJIKJSKPH-JTQLQIEISA-N	192.645	2.650	50	40	AFGB	
C[C@H](Br)C(Cl)Cl	100075886	IPJIVVBEXFDZMD-REOHCLBHSA-N	191.883	2.574	50	40	AFGB	
C=C[C@@H]1[C@H]2CC[C@@H](C2)[C@@H]1Cl	104187113	YSVJVNHNYSSNHQ-MAUMQABQSA-N	156.656	2.826	50	40	AFGB	
O=C(Cl)C1(Cl)CCCCC1	20160439	AWIAZXPQRSJZCF-UHFFFAOYSA-N	181.062	2.694	50	40	AFGB	
ClCc1ncsc1CCl	97950145	BZMOLGFSDXULDL-UHFFFAOYSA-N	182.075	2.621	50	40	AFGB	
C[PH](CCl)(CCl)CCl	104073903	GBJCJCIZJSREPY-UHFFFAOYSA-N	195.457	2.955	50	40	AFGB	
Fc1ccc(CBr)s1	307294099	FOGNQRBWJHYLQD-UHFFFAOYSA-N	195.056	2.782	50	40	AFGB	
O=C(CCl)C1CCC(F)(F)CC1	96373347	VFMITEJMPRVHBZ-UHFFFAOYSA-N	196.624	2.620	50	40	AFGB	in-vitro
CO[Si](OC)(C(C)C)C(C)(C)C	196627496	VBRKIFAYTJZAFZ-UHFFFAOYSA-N	190.359	2.932	50	40	AFGB	
CCC(CC)COCCCl	16611311	AMSHQISIPLVRKC-UHFFFAOYSA-N	164.676	2.678	50	40	AFGB	
ClCc1cnc(Cl)nc1Cl	22199471	VLOODHWTRPYFIS-UHFFFAOYSA-N	197.452	2.522	50	40	AFGB	
CC[C@H](Br)C1CC1	71008377	HIZZGEIGDSVFBJ-LURJTMIESA-N	163.058	2.570	50	40	AFGB	
O=CC1=C(Cl)c2cccc(F)c2C1	1857793541	JKFVKSBGZFGPKH-UHFFFAOYSA-N	196.608	2.531	50	40	AFGB	
CCC[C@@H](C)I	2031571	JUPBFIYJUCWJCT-RXMQYKEDSA-N	198.047	2.610	50	40	AFGB	in-vitro
Cc1ccc(C(=O)CCl)cc1F	39055030	KIMJXVMZUAJFOB-UHFFFAOYSA-N	186.613	2.556	50	40	AFGB	
CC1(C)CCC[C@H]1Br	83821960	YWAZLGZDMIGDHZ-ZCFIWIBFSA-N	177.085	2.960	50	40	AFGB	in-vitro
C#Cc1ccc(CBr)cc1	90627533	VLEIHGWNFJPIPO-UHFFFAOYSA-N	195.059	2.563	50	40	AFGB	
[C-]#[N+][C@@H]1CCc2ccccc21	95697998	KNXCHLLQHRSRIT-SNVBAGLBSA-N	143.189	2.593	50	40	AFGB	
CC1(C)[C@H]2CC[C@@](C)(OO)[C@@H]1C2	100124681	QMQTYHMGPDPPPW-QXFUBDJGSA-N	170.252	2.691	50	40	AFGB	
Br[C@H]1C[C@H]1c1ccccc1	2008382	IITYLOQJUHFLPM-IUCAKERBSA-N	197.075	2.937	50	40	AFGB	in-vitro
S=C=NCCSc1ccccc1	4206721	RXQJAAYHHRTWQT-UHFFFAOYSA-N	195.312	2.882	50	40	AFGB	in-vitro
C[C@H]1CCCC[C@@H]1OCCCl	32628007	QVPLQHPIDIZPJB-IUCAKERBSA-N	176.687	2.821	50	40	AFGB	in-vitro
FC(Cl)(Cl)SCl	95754143	KDRSHFSCTSFYGH-UHFFFAOYSA-N	169.435	2.932	50	40	AFGB	in-vitro
CCO[C@@H](Cl)C=C(Cl)Cl	196503487	DAILUFGYDGMJDD-RXMQYKEDSA-N	189.469	2.907	50	40	AFGB	
N#CC1=CCCc2ccccc21	2511441	SOMQJWVVMLVCLY-UHFFFAOYSA-N	155.200	2.540	50	40	AFGB	
ClCc1onc2ccccc12	1772715101	ZZNPGVQBTCSBFZ-UHFFFAOYSA-N	167.595	2.567	50	40	AFGB	
CC(=O)[C@H](Cl)c1ccccc1	1670675	KFPLPFVPPOJDFF-VIFPVBQESA-N	168.623	2.556	50	40	AFGB	
C[C@]12CC[C@H](C[C@@H]1Cl)C2	90484604	PNBYKXYJGLDXAU-GJMOJQLCSA-N	144.645	2.804	50	40	AFGB	
FCCOc1ccccc1CCl	87776033	LOGKQODNKTYNQI-UHFFFAOYSA-N	188.629	2.774	50	40	AFGB	
FC1(F)CC[C@@H](Br)C1	307183555	YKUBVXZNAYOTDW-SCSAIBSYSA-N	185.011	2.569	50	40	AFGB	
[C-]#[N+]CCC1=CCCCC1	95713444	KKAZBUBQJPTCKA-UHFFFAOYSA-N	135.210	2.796	50	40	AFGB	
O=C/C=C/c1c[nH]c2ccc(F)cc12	228978606	MELLCWRXZXYTOB-OWOJBTEDSA-N	189.189	2.519	50	40	AFGB	
CC(C)(C)c1ccc(C(=O)Cl)nc1	218432561	DGRBVCDHIXAHRB-UHFFFAOYSA-N	197.665	2.758	50	40	AFGB	
N#CC(C#N)=CC1CCCCC1	3270824	IRQZCBXAJLFHMZ-UHFFFAOYSA-N	160.220	2.540	50	40	AFGB	
COc1cccc(C(=O)[C@H](C)Cl)c1	39055240	JQJMJLTWFIXNDD-ZETCQYMHSA-N	198.649	2.505	50	40	AFGB	
Fc1cccc2oc(CCl)nc12	38672116	AEOPPVPQYXKXJD-UHFFFAOYSA-N	185.585	2.706	50	40	AFGB	
CCCCOC(=O)OCCCCl	196021132	KIPWPXPELMKDGB-UHFFFAOYSA-N	194.658	2.569	50	40	AFGB	
O=[S@](Cl)c1ccc(Cl)cc1	97957432	JCWBGXXPAPSAFE-SNVBAGLBSA-N	195.070	2.601	50	40	AFGB	
Cc1ccccc1C(=O)[C@@H](C)Cl	238427827	BUGXNLXIWPYRKP-MRVPVSSYSA-N	182.650	2.805	50	40	AFGB	
COc1ccc2c(c1)CCC=C2C#N	33505841	NPULUKJLDRIOAW-UHFFFAOYSA-N	185.226	2.548	50	40	AFGB	
C[C@H](Cl)OC(=O)OC(C)(C)C	34088512	KDXWFUGPHWFKSZ-RXMQYKEDSA-N	180.631	2.523	50	40	AFGB	
ClSC(Cl)Cl	100374321	CJVQFSOFAGPEGU-UHFFFAOYSA-N	151.445	2.635	50	40	AFGB	
C=C1CCCC[C@H]1Cl	196645555	QJTPBLPEOSDKKM-SSDOTTSWSA-N	130.618	2.724	50	40	AFGB	in-vitro
CC(=O)[C@H](Cl)c1ccc(F)cc1	32007956	VRBNVDPZTSCHLJ-VIFPVBQESA-N	186.613	2.695	50	40	AFGB	in-vitro
CCCCc1noc([C@H](C)Cl)n1	12760921	ZENRJUHCFROHJI-LURJTMIESA-N	188.658	2.712	50	40	AFGB	in-vitro
COc1ccc2nc(CCl)oc2c1	95756871	QGHHUVGTQMDBDW-UHFFFAOYSA-N	197.621	2.575	50	40	AFGB	
CCOc1ccc(C)cc1C(=O)Cl	45792764	WVHGLBJEKNDUQB-UHFFFAOYSA-N	198.649	2.773	50	40	AFGB	
O=C(C1CC1)[C@@H](Cl)c1ccccc1	88111888	GFPXYVDOQWHIOA-JTQLQIEISA-N	194.661	2.946	50	40	AFGB	
N#C/C=C\c1ccc(Cl)cc1	5722943	PPCNBCKABHGVMX-UPHRSURJSA-N	163.607	2.877	50	40	AFGB	
C=CCCCCCCl	2567401	HGFDRTHFFJPDNE-UHFFFAOYSA-N	132.634	2.972	50	40	AFGB	
O=c1oc2ccccc2cc1CCl	36437164	NVPFWJFBCWOYSV-UHFFFAOYSA-N	194.617	2.532	50	40	AFGB	
Fc1cccc(CCCl)c1	57385874	GYPFVSLTAQBJHV-UHFFFAOYSA-N	158.603	2.607	50	40	AFGB	in-vitro
CNC[C@H](C)[C@@H](Cl)c1ccccc1	1614509	RQIXDSAGGOMBSS-GXSJLCMTSA-N	197.709	2.822	50	40	AFGB	
CCOc1ccc(CCl)c(F)c1	299889997	SCZSQNFMUZUROR-UHFFFAOYSA-N	188.629	2.963	50	40	AFGB	
FC(F)(F)[C@H]1CC[C@H](Cl)C1	256051827	KPSAURLMVRPRSS-WHFBIAKZSA-N	172.577	2.956	50	40	AFGB	
CC(C)/C(C=O)=C\c1ccsc1	86208892	WYAXERTYXZJTTP-YHYXMXQVSA-N	180.272	2.986	50	40	AFGB	
O=C(CCl)n1ccc2ccccc21	38266581	FGOZRGMJVCIVKG-UHFFFAOYSA-N	193.633	2.520	50	40	AFGB	
Fc1ccc(F)c(CN=C=S)c1	82599736	OAXLIZKFYPXGQZ-UHFFFAOYSA-N	185.198	2.568	50	40	AFGB	
C[C@@H]1CCC[C@H](Br)C1	1699963	CAKVGNXMAZLDPV-RQJHMYQMSA-N	177.085	2.960	50	40	AFGB	
CC(C)NC[C@H](C)CCCCl	5962947	VOBZJHYFCYUEIT-SECBINFHSA-N	177.719	2.640	50	40	AFGB	
Cc1cccc(C(=O)[C@@H](C)Cl)c1	39054966	XJWXSAAUFWETGO-MRVPVSSYSA-N	182.650	2.805	50	40	AFGB	
Cc1cc(C)cc(CNCCCl)c1	1667988	NOOLRBDYFUFPQS-UHFFFAOYSA-N	197.709	2.632	50	40	AFGB	
CC(C)(C)/C(Cl)=C\C#N	33364639	KCVZJFYFJKNOFD-GQCTYLIASA-N	143.617	2.679	50	40	AFGB	
[C-]#[N+][C@@H]1CCCc2ccccc21	95697975	BKSBGCVGYLOQJZ-LLVKDONJSA-N	157.216	2.983	50	40	AFGB	in-vitro
C[C@@H](CCl)[C@@H](C)CCl	104725164	GNMKHDROSCCKQP-WDSKDSINSA-N	155.068	2.736	50	40	AFGB	
ClC[C@]1(Cl)CC1(Cl)Cl	90496272	OWOUIPCYNZXCFC-GSVOUGTGSA-N	193.888	2.780	50	40	AFGB	
CC[C@@H](C)CCBr	2005555	MDCCBJLCTOTLKM-ZCFIWIBFSA-N	165.074	2.818	50	40	AFGB	
BrC1C[C@H]2CC[C@H](C1)C2	144463735	UQEMCUFBIHKAEI-BQBZGAKWSA-N	189.096	2.960	50	40	AFGB	
C[Si]1(C)CC[C@@H](Br)C1	584905833	JKKLSWBMYIOINP-ZCFIWIBFSA-N	193.160	2.862	50	40	AFGB	
CCOc1ccccc1CCl	3411305	SVMOJICBHLWIDJ-UHFFFAOYSA-N	170.639	2.824	50	40	AFGB	
CC[C@](Cl)(C=O)[C@@H](Cl)C(C)C	1562429	MLRGUDRVGVFJIA-YUMQZZPRSA-N	197.105	2.836	50	40	AFGB	
[C-]#[N+][C@@H](C)CCc1ccccc1	95697888	XLTBPGJTGDJJMR-JTQLQIEISA-N	159.232	2.927	50	40	AFGB	
ClCCSSCCCl	1712613	XDFZUXHZXUFQOS-UHFFFAOYSA-N	191.148	2.845	50	40	AFGB	
CCCC[C@H](C)OC(=O)Cl	196062115	ZLKKDYSCTUTSNA-LURJTMIESA-N	164.632	2.941	50	40	AFGB	
[N-]=[N+]=N[C@H](C(=O)Cl)c1ccccc1	111395094	NRSMVAFUFMOXFI-ZETCQYMHSA-N	195.609	2.803	50	40	AFGB	
CC(C)n1ncc2c1CC[C@@H](Cl)C2	575425793	WVCIVOBXCSUDIG-SECBINFHSA-N	198.697	2.560	50	40	AFGB	
CCn1c(C)cc(C(=O)CCl)c1C	2656298	MZROZFPFLUMMOS-UHFFFAOYSA-N	199.681	2.546	50	40	AFGB	in-vitro
COc1c(C)cc(C(=O)Cl)cc1C	14447790	NVSLDNSTGOKOJF-UHFFFAOYSA-N	198.649	2.691	50	40	AFGB	
ClCc1ccc2c(c1)CCC2	1865503	CVUZRMUCKVDRRQ-UHFFFAOYSA-N	166.651	2.914	50	40	AFGB	in-vitro
Cc1ccc(CCl)cc1F	2509694	CDFRDDZQCBOCGF-UHFFFAOYSA-N	158.603	2.873	50	40	AFGB	in-vitro
Cc1ccc(CSC#N)cc1	6070877	DFKZGPBKYUQGAY-UHFFFAOYSA-N	163.245	2.709	50	40	AFGB	
CC(C)C(C#N)(C(=O)Cl)C(C)C	257197691	GNEQYHPULIUZCU-UHFFFAOYSA-N	187.670	2.574	50	40	AFGB	
CSc1ccc(/C=C/C#N)cc1	6259761	CPBJUFSZBCMFHX-NSCUHMNNSA-N	175.256	2.945	50	40	AFGB	
ClC/C=C\c1ccccc1	77054737	IWTYTFSSTWXZFU-DAXSKMNVSA-N	152.624	2.939	50	40	AFGB	
CCCC[C@@H](C)OC(=O)Cl	196062104	ZLKKDYSCTUTSNA-ZCFIWIBFSA-N	164.632	2.941	50	40	AFGB	
Cc1cc2c(CCl)ccnc2[nH]1	238500064	MIYXBBMSXKWVSE-UHFFFAOYSA-N	180.638	2.610	50	40	AFGB	
Fc1ccc(F)c(CCl)c1F	2386979	XQVJZIBCIQHUKU-UHFFFAOYSA-N	180.556	2.843	50	40	AFGB	
C[C@@]12CC[C@H](C[C@@H]1Cl)C2	100355379	PNBYKXYJGLDXAU-CSMHCCOUSA-N	144.645	2.804	50	40	AFGB	
S=C=NCc1cccc(Cl)c1	2038496	GGNLZOLEJMSOKU-UHFFFAOYSA-N	183.663	2.943	50	40	AFGB	in-vitro
Cl[C@H]1CCc2ccccc21	49634951	WLJXUWKOEVKMGD-VIFPVBQESA-N	152.624	2.913	50	40	AFGB	in-vitro
C[C@@H](N=C=S)c1ccc(F)cc1	2525810	JXMBAXGHCKMDES-SSDOTTSWSA-N	181.235	2.990	50	40	AFGB	in-vitro
CC(C)C[C@@H](C)Cl	2528229	WIMBRKMSNRCNMP-ZCFIWIBFSA-N	120.623	2.660	50	40	AFGB	
Cc1cc(C(=O)CCl)ccc1F	31893345	PFEAIJCKSONGBK-UHFFFAOYSA-N	186.613	2.556	50	40	AFGB	in-vitro
[C-]#[N+][C@H]1CCCc2ccccc21	95697976	BKSBGCVGYLOQJZ-NSHDSACASA-N	157.216	2.983	50	40	AFGB	in-vitro
CCCCO[Si](C)(C)CCl	195761856	YRAWOQJODZMFJX-UHFFFAOYSA-N	180.751	2.786	50	40	AFGB	
ClCc1ccccc1-n1ccnc1	20435830	GDGIPWLHSXOMOZ-UHFFFAOYSA-N	192.649	2.611	50	40	AFGB	
O=C(Cl)c1cc2ccc(F)cc2[nH]1	104515323	ZFBNECVKICWBKK-UHFFFAOYSA-N	197.596	2.686	50	40	AFGB	
CC1(C)[C@@H](Cl)C1(Cl)Cl	1715138	FDGDWMVIHCXJDA-GSVOUGTGSA-N	173.470	2.808	50	40	AFGB	
ClCc1cccc(OC2CC2)c1	79007005	JEGBVPRYDMKODA-UHFFFAOYSA-N	182.650	2.967	50	40	AFGB	
ClCCc1c[nH]c2ccccc12	6117655	JRASUUTVFCLPPO-UHFFFAOYSA-N	179.650	2.949	50	40	AFGB	in-vitro
C[C@@H](Cl)c1nc2ccccc2n1C	36895899	YOCSONLJCOMIJZ-SSDOTTSWSA-N	194.665	2.873	50	40	AFGB	
C[C@@H](CCl)CNc1ccccc1	39473398	FDZFBHJOCGOETB-VIFPVBQESA-N	183.682	2.973	50	40	AFGB	
CCOc1ncc(CCl)cc1C	72222082	VYVPTSOVDMEIOE-UHFFFAOYSA-N	185.654	2.528	50	40	AFGB	
Cc1ccc(OCCCl)cc1	5003895	KBYIVQGBGSZJRP-UHFFFAOYSA-N	170.639	2.613	50	40	AFGB	in-vitro
Cc1c(Cl)ccnc1CCl	45672803	ZYUFKURTVOBEOQ-UHFFFAOYSA-N	176.046	2.782	50	40	AFGB	
ClCC#Cc1cccc(Cl)c1	49918414	CHSCILWMGQTFMZ-UHFFFAOYSA-N	185.053	2.930	50	40	AFGB	
CCCCCCOCCCl	16638204	FCLSYAXUOPORKQ-UHFFFAOYSA-N	164.676	2.822	50	40	AFGB	
Fc1cc(F)cc(CN=C=S)c1	59129078	SGIOZSSTJZSGAL-UHFFFAOYSA-N	185.198	2.568	50	40	AFGB	
N#CC1=C[C@H]2C[C@@H]1c1ccccc12	6117473	PPJKYKZPSUOZFT-UFBFGSQYSA-N	167.211	2.721	50	40	AFGB	
O=CC1=C(Cl)c2ccc(F)cc2C1	135401236	ICGJHEUEYIKUOO-UHFFFAOYSA-N	196.608	2.531	50	40	AFGB	
Cc1cc2c(cc1CCl)OCCO2	82531211	XVFCAQYCCCVPET-UHFFFAOYSA-N	198.649	2.505	50	40	AFGB	
CC(C)=C(F)CBr	95611792	HMTVIHXFZSMKSS-UHFFFAOYSA-N	167.021	2.645	50	40	AFGB	
O=C(Cl)c1c[nH]c2cc(F)ccc12	104506227	OJPWRDQPZJEESK-UHFFFAOYSA-N	197.596	2.686	50	40	AFGB	
C[C@H](Cl)C[C@@H](C)Cl	100049125	DYGOBGYJRRKFEN-SYDPRGILSA-N	141.041	2.631	50	40	AFGB	
CC1(CBr)CCCC1	83822253	IGVNUARUDLGQBN-UHFFFAOYSA-N	177.085	2.962	50	40	AFGB	
Cc1ccccc1/C(F)=C/C#N	72265806	SESJHXBQDKMLMY-POHAHGRESA-N	161.179	2.829	50	40	AFGB	in-vitro
CCC[C@@H](Br)CC	2027023	IOZOJWNUKLCDML-LURJTMIESA-N	165.074	2.960	50	40	AFGB	
O=C(Cl)C(Cl)=C(Cl)Cl	2031001	BCOSEZGCLGPUSL-UHFFFAOYSA-N	193.844	2.637	50	40	AFGB	
CCOc1cccc(N=C=S)c1	49568726	QETAUIVXAOCKML-UHFFFAOYSA-N	179.244	2.820	50	40	AFGB	in-vitro
Cc1c2c(c(CCl)c3c1CC3)CC2	68568847	MRHKHXHQVDHWSG-UHFFFAOYSA-N	192.689	2.931	50	40	AFGB	
ClSc1ccccc1	60160630	JWUKZUIGOJBEPC-UHFFFAOYSA-N	144.626	2.933	50	40	AFGB	in-vitro
CCSC(=O)SCCCl	1568385	QMNYKASNQXBRKC-UHFFFAOYSA-N	184.713	2.832	50	40	AFGB	
CCc1ccccc1C#CCCl	95632129	VGNJMRNEBAOHNK-UHFFFAOYSA-N	178.662	2.839	50	40	AFGB	
CC(C)=C(C=O)CCC(C)C	1635620	CLENRQUINIKPTH-UHFFFAOYSA-N	154.253	2.958	50	40	AFGB	
ClCc1ncc(Cl)s1	67176202	PIWAQJGLVRKTOM-UHFFFAOYSA-N	168.048	2.535	50	40	AFGB	in-vitro
F/C(Cl)=C/C(Cl)Cl	100046522	YYDPDTHRBQYLSK-HNQUOIGGSA-N	163.406	2.840	50	40	AFGB	
Fc1cc(F)c(F)c(CCl)c1F	2585559	NHCWIDIVEAKSAO-UHFFFAOYSA-N	198.546	2.982	50	40	AFGB	in-vitro
CCCC[S@@](=O)[C@@H](Cl)CCC	5064062	FHWJLZBLAFUSGT-KCJUWKMLSA-N	196.743	2.900	50	40	AFGB	
ClCc1ccnn1C1CCCC1	72209695	JMFZWOQTWNDMRI-UHFFFAOYSA-N	184.670	2.737	50	40	AFGB	
CC1CCC(=C(C#N)C#N)CC1	16608557	SBPJTLAWQCEFIC-UHFFFAOYSA-N	160.220	2.540	50	40	AFGB	
CC[C@H](Cl)C(=O)Nc1ccccc1	1686566	OQEBAOZVEXPDGI-VIFPVBQESA-N	197.665	2.643	50	40	AFGB	
N#C/C=C/c1cccc(OC(F)F)c1	78406311	CTUNQTNYJZYFMR-DUXPYHPUSA-N	195.168	2.825	50	40	AFGB	
C[C@@]12CC[C@@H](C[C@@H]1Cl)C2	1674673	PNBYKXYJGLDXAU-FXQIFTODSA-N	144.645	2.804	50	40	AFGB	
C[C@H]1CCC[C@H](C)N1C(=O)Cl	62466306	JOPVMXGJULJMLT-BQBZGAKWSA-N	175.659	2.608	50	40	AFGB	in-vitro
C=CCOc1ccc(C(=O)Cl)cc1	12406191	WYMVIVUKHYHNBN-UHFFFAOYSA-N	196.633	2.630	50	40	AFGB	
COc1cccc([C@@H](C)N=C=S)c1	2548128	VLULNKVRCHBYJM-MRVPVSSYSA-N	193.271	2.859	50	40	AFGB	
O=C=N/C=C/c1ccc(Cl)cc1	72220825	LFRSQZAIHWLRQL-AATRIKPKSA-N	179.606	2.647	50	40	AFGB	
S=C=Nc1cccc2ncccc12	19840554	PHYKIILAWGSZIA-UHFFFAOYSA-N	186.239	2.969	50	40	AFGB	in-vitro
CC(=O)c1ccc([C@H]2C[C@H]2Cl)cc1	163668	RTQFNKZPZXAHEK-GHMZBOCLSA-N	194.661	2.984	50	40	AFGB	
O=C/C=C(\Cl)c1ccsc1	36047692	AUILAZLQUNYBRO-XFSBKJJWSA-N	172.636	2.527	50	40	AFGB	
CCCCC[C@@H](C)OC(=O)CCl	36372749	GKOMRSJNZZXVMU-MRVPVSSYSA-N	192.686	2.737	50	40	AFGB	
O=C(CCl)c1ccc2[nH]ccc2c1	80443714	VLDXWRZJHBIEMG-UHFFFAOYSA-N	193.633	2.589	50	40	AFGB	in-vitro
BrCC1CC2(CCC2)C1	95908466	LCYMYIXSODNRML-UHFFFAOYSA-N	189.096	2.962	50	40	AFGB	
CC[C@H](Oc1ccccc1)C(=O)Cl	37406165	CMWPBGIBHBCVSW-VIFPVBQESA-N	198.649	2.609	50	40	AFGB	in-vitro
Cc1cccc(/C=C\C(=O)Cl)c1	33369490	YOBPHWLIGRZJAK-WAYWQWQTSA-N	180.634	2.774	50	40	AFGB	
O=C(Cl)c1c[nH]c2ccc(F)cc12	89203434	SWMKEKWSYNCILC-UHFFFAOYSA-N	197.596	2.686	50	40	AFGB	
CCCCO[C@H](C)OCCCCl	1083807935	DTEOPJBRROLNAL-VIFPVBQESA-N	194.702	2.795	50	40	AFGB	
CC[C@H](Cl)[C@@H](C)Cl	100270656	HVFJQRZGBBKTPL-UHNVWZDZSA-N	141.041	2.631	50	40	AFGB	
CC[C@@H](Cl)C(=O)Nc1ccccc1	5599209	OQEBAOZVEXPDGI-SECBINFHSA-N	197.665	2.643	50	40	AFGB	
C[C@@H](Cl)c1ccncc1F	91305749	WXFUYRFHCGHEBA-RXMQYKEDSA-N	159.591	2.521	50	40	AFGB	in-vitro
N#CC1=C[C@@H]2C[C@H]1c1ccc(C#N)cc12	6093969	ASLVPUSXPCDIAT-NOZJJQNGSA-N	192.221	2.593	50	40	AFGB	
N#C[C@H](CCCl)c1ccccc1	66054821	QATMNEWCJVVAJK-JTQLQIEISA-N	179.650	2.923	50	40	AFGB	
[C-]#[N+]Cc1ccccc1Cl	95698306	YSMCZJCJXWOYGD-UHFFFAOYSA-N	151.596	2.759	50	40	AFGB	
CC(C)(C)SCCBr	35321633	HPXSZQNSRRWXRY-UHFFFAOYSA-N	197.141	2.913	50	40	AFGB	in-vitro
CC(C)/C=C(/C=O)c1ccccc1	5225050	ULRYRAHIBWLZKC-WQLSENKSSA-N	174.243	2.925	50	40	AFGB	
[C-]#[N+][C@H](C)c1ccccc1	95698390	KCCAPMXVCPVFEH-MRVPVSSYSA-N	131.178	2.667	50	40	AFGB	in-vitro
O=C1CCOc2ccc(SF)cc21	100467394	ZDGQHQNUKVYQOB-UHFFFAOYSA-N	198.218	2.628	50	40	AFGB	
Cc1ccc(F)c(C(=O)Cl)c1	2541347	WVRZOPWHCFDYSQ-UHFFFAOYSA-N	172.586	2.513	50	40	AFGB	
CC1(C)[C@H]2CC[C@](C)(OO)[C@@H]1C2	100124686	QMQTYHMGPDPPPW-XKSSXDPKSA-N	170.252	2.691	50	40	AFGB	
CCc1cc(SC#N)cc(C)c1N	3210846	ARNYTCIHTIYQHE-UHFFFAOYSA-N	192.287	2.713	50	40	AFGB	in-vitro
Cc1ccccc1/C(F)=C\C#N	72265805	SESJHXBQDKMLMY-UXBLZVDNSA-N	161.179	2.829	50	40	AFGB	
Cc1cc(F)ccc1C(=O)CCl	95917014	IBSMWEGIZJUCKS-UHFFFAOYSA-N	186.613	2.556	50	40	AFGB	
C[C@H](NCCCl)c1ccccc1	2243841	VXJNLMNYUNOCES-VIFPVBQESA-N	183.682	2.576	50	40	AFGB	
CCOc1ccsc1C(=O)Cl	34475041	FBAYKPYCNPDYQQ-UHFFFAOYSA-N	190.651	2.526	50	40	AFGB	
Cc1cc(SC#N)cc(Cl)c1N	45946580	UMVSWMRIBOXSJW-UHFFFAOYSA-N	198.678	2.804	50	40	AFGB	
Cl[C@@H]1CCc2ccccc21	49634952	WLJXUWKOEVKMGD-SECBINFHSA-N	152.624	2.913	50	40	AFGB	in-vitro
C=C(C#N)OP(=O)(Cl)Cl	97956284	FTOMXKFIOYXQHT-UHFFFAOYSA-N	185.934	2.626	50	40	AFGB	
O=C(Cl)C1(c2ccccc2)CCC1	11833312	SVSUIHVKXBTVBI-UHFFFAOYSA-N	194.661	2.874	50	40	AFGB	
COc1ccc(CCCCl)cc1	2507822	ACDKPXVTMLYNEE-UHFFFAOYSA-N	184.666	2.867	50	40	AFGB	in-vitro
CCC(CC)c1nc(CCl)no1	26516357	QOXJKIPSWCHCAI-UHFFFAOYSA-N	188.658	2.712	50	40	AFGB	
CNC[C@@H](C)[C@@H](Cl)c1ccccc1	1614510	RQIXDSAGGOMBSS-MWLCHTKSSA-N	197.709	2.822	50	40	AFGB	
ClC[C@H](Cl)[C@@H](Cl)CCl	1757813	IXZVKECRTHXEEW-IMJSIDKUSA-N	195.904	2.679	50	40	AFGB	
C[C@H](Cl)c1nc2ccccc2n1C	36895898	YOCSONLJCOMIJZ-ZETCQYMHSA-N	194.665	2.873	50	40	AFGB	
N#CSCc1ccccc1F	32138416	QAHUZXMXFXUMBB-UHFFFAOYSA-N	167.208	2.540	50	40	AFGB	
C1CC1SSC1CC1	36377971	WYNRNIMDJHCRPV-UHFFFAOYSA-N	146.280	2.693	50	40	AFGB	
C[C@H](Cl)C(=O)CCc1ccccc1	81166407	BCJMCSXCBGHNAM-VIFPVBQESA-N	196.677	2.816	50	40	AFGB	
C#CCC1(CBr)CCC1	95347636	UMJDSEZANNCYRF-UHFFFAOYSA-N	187.080	2.575	50	40	AFGB	in-vitro
Cc1cc(N=C=S)nc(C(C)C)n1	8731070	SLXUSYMLJSNRDO-UHFFFAOYSA-N	193.275	2.643	50	40	AFGB	
CSc1ccccc1C(=O)Cl	38478174	AAWPBDPLOOSGGF-UHFFFAOYSA-N	186.663	2.788	50	40	AFGB	
Fc1cc(F)c(CCCl)c(F)c1	104462323	JYWQYLDELNMHEZ-UHFFFAOYSA-N	194.583	2.885	50	40	AFGB	
CCN(C)c1ncc(CCl)cc1C	72222189	PMJNGQMBDDHHRM-UHFFFAOYSA-N	198.697	2.585	50	40	AFGB	
O=C(Cl)c1cc2cccnc2s1	98210548	MQKSTBDFELJPJE-UHFFFAOYSA-N	197.646	2.675	50	40	AFGB	
C/C(=C\C=O)c1ccc(C)cc1C	36358856	ZOJUSRMQKROVHY-UXBLZVDNSA-N	174.243	2.906	50	40	AFGB	
C[C@H]1CCC[C@@H](Br)C1	1699960	CAKVGNXMAZLDPV-NKWVEPMBSA-N	177.085	2.960	50	40	AFGB	
COc1ccc(N=C=S)cc1F	37290788	VQKFGMVWRAHVCT-UHFFFAOYSA-N	183.207	2.569	50	40	AFGB	in-vitro
CCCCCC(=O)CBr	59988439	RCTWZRNOJCMIDN-UHFFFAOYSA-N	193.084	2.531	50	40	AFGB	
C[C@]1(CCl)CC1(Cl)Cl	164120	FOWRHXQSCVDBKQ-SCSAIBSYSA-N	173.470	2.809	50	40	AFGB	
C[C@@H]1CCCCN1CC(Cl)Cl	5161198	CANPMJAMKIIYGQ-SSDOTTSWSA-N	196.121	2.665	50	40	AFGB	
COc1cc(C)c(C)cc1C(=O)Cl	57340043	CWUNNJOHIVTJGG-UHFFFAOYSA-N	198.649	2.691	50	40	AFGB	
CC(C)(C)C#CC=CCCl	1857775668	ZIXABMZBMHDFEZ-UHFFFAOYSA-N	156.656	2.831	50	40	AFGB	
C[C@@H](C(=O)O)c1ccc(CCl)cc1	34469825	KIFZXXOBDKAFPG-SSDOTTSWSA-N	198.649	2.614	50	40	AFGB	
COc1c(C)cc(C)cc1C(=O)Cl	57339512	YWNJAYWDYDPJCF-UHFFFAOYSA-N	198.649	2.691	50	40	AFGB	
CC[C@H](Cl)C(=O)c1cccs1	71423541	GRNOETBWUGXPIK-LURJTMIESA-N	188.679	2.948	50	40	AFGB	
Cc1cc(C)cc(CC(=O)Cl)c1	34760704	TZKVHTHSNNHIGR-UHFFFAOYSA-N	182.650	2.611	50	40	AFGB	
Cc1ccsc1C(=O)[C@@H](C)Cl	42728505	RXTAZVQDRISXKW-ZCFIWIBFSA-N	188.679	2.867	50	40	AFGB	
CNCC[C@@H](Cl)c1ccccc1	26893673	GOFAJKACZNCZCM-SNVBAGLBSA-N	183.682	2.576	50	40	AFGB	
COc1ccc(Cl)cc1/C=C/C=O	1702971	MKXWDSWKCXNLRG-NSCUHMNNSA-N	196.633	2.561	50	40	AFGB	
ClCc1csc(C2CC2)n1	19408307	FHFDCVQKFCNASK-UHFFFAOYSA-N	173.668	2.759	50	40	AFGB	in-vitro
CCc1ccc(CSC#N)cc1	36533332	POZPHGFBIHQFIS-UHFFFAOYSA-N	177.272	2.963	50	40	AFGB	
Cl[C@H]1[C@@H]2CC[C@H](C2)[C@H]1Cl	100275531	FRNCOQMOHQNWML-GBNDHIKLSA-N	165.063	2.631	50	40	AFGB	
Cc1oc(-c2ccoc2)nc1CCl	16125309	DPLMWANLVQCTEX-UHFFFAOYSA-N	197.621	2.982	50	40	AFGB	
Cc1ccc(C#CCCl)cc1C	57840980	JJUYCAZUMYYFTJ-UHFFFAOYSA-N	178.662	2.894	50	40	AFGB	
CC(=O)c1ccc([C@@H]2C[C@H]2Cl)cc1	163670	RTQFNKZPZXAHEK-WDEREUQCSA-N	194.661	2.984	50	40	AFGB	
CC[C@@H](Cl)[C@H](C)Cl	100270663	HVFJQRZGBBKTPL-CRCLSJGQSA-N	141.041	2.631	50	40	AFGB	
Cc1ccc(/C=C/C=C/C=O)cc1	34127717	SFWHKVBQQVMLEC-ZUVMSYQZSA-N	172.227	2.763	50	40	AFGB	
ClCC12CCC(CC1)C2	104712464	BPSUCXCLRMYWCY-UHFFFAOYSA-N	144.645	2.806	50	40	AFGB	
Cc1cccc(C(=O)CCCl)c1	2514109	JWXDYRJMBCIZFS-UHFFFAOYSA-N	182.650	2.807	50	40	AFGB	
CCOC(=O)/C=C\CCCCCl	32098759	QRJDSTPXJIADET-ALCCZGGFSA-N	190.670	2.515	50	40	AFGB	
CCO[Si](C(C)C)C(C)C	195815446	PUNLSJOSQANDRG-UHFFFAOYSA-N	159.325	2.834	50	40	AFGB	
Cl[C@@H]1Cc2ccccc21	68568717	WTWLGTHCUYESQD-MRVPVSSYSA-N	138.597	2.523	50	40	AFGB	
N#CS[C@@H]1CCCC[C@H]1SC#N	1557998	XSRBJMAFLWWLFP-HTQZYQBOSA-N	198.316	2.726	50	40	AFGB	
Br[C@@H]1C[C@@H]1c1ccccc1	2008379	IITYLOQJUHFLPM-RKDXNWHRSA-N	197.075	2.937	50	40	AFGB	in-vitro
CC(C)(C)c1nnc(CCl)s1	2511421	OWHPHNBZLVPJIN-UHFFFAOYSA-N	190.699	2.574	50	40	AFGB	
COc1cccc2c1[C@H]1C=C(C#N)[C@@H]2C1	6019166	MOCHAKQBQWCEQE-KWQFWETISA-N	197.237	2.730	50	40	AFGB	
O=C=Nc1cc2c(s1)CCCC2	19835265	VZDZCCKBPSGCKG-UHFFFAOYSA-N	179.244	2.594	50	40	AFGB	
C/C(C=O)=C\c1ccc(Cl)cc1	38251421	IQJAMSUNWQAPAF-SOFGYWHQSA-N	180.634	2.942	50	40	AFGB	in-vitro
Cc1nc2cc(C(=O)Cl)ccc2o1	39057033	SPDCIPGIOQKSTM-UHFFFAOYSA-N	195.605	2.515	50	40	AFGB	
N#CSCc1ccc(F)cc1	32138414	KNPKUMPACMQXGD-UHFFFAOYSA-N	167.208	2.540	50	40	AFGB	
Br[C@H]1C[C@H]2CC[C@H]1C2	100072697	QXYOAWHKJRWNID-ACZMJKKPSA-N	175.069	2.570	50	40	AFGB	in-vitro
N#CC12CCC(CC1)C[C@H]2Cl	1620737	AMCAVUIFKCMUFR-QJAFJHJLSA-N	169.655	2.698	50	40	AFGB	
N#C[C@@H](Cl)c1cc(F)ccc1F	45626723	TYYSJLVTRTUSIC-SSDOTTSWSA-N	187.576	2.768	50	40	AFGB	
CC1=C(C#N)Cc2ccccc21	4273541	FWLFHRGZIOSAOB-UHFFFAOYSA-N	155.200	2.540	50	40	AFGB	
N#C/C=C(/Cl)c1ccccc1	33374126	GVKYEBRJHLHHOE-RMKNXTFCSA-N	163.607	2.790	50	40	AFGB	in-vitro
CCCNc1cc(C)c(CCl)cn1	72223198	CUDKQXJPEVGJGH-UHFFFAOYSA-N	198.697	2.951	50	40	AFGB	
O=C(Cl)c1ccc(N=C=S)cc1	32296927	WPRKKGAKYQGUBI-UHFFFAOYSA-N	197.646	2.800	50	40	AFGB	
O=C(Cl)C=C1CCCCC1	39268229	POFHGVAOSUKEPE-UHFFFAOYSA-N	158.628	2.642	50	40	AFGB	
FC1(CBr)CCCC1	952958926	ICNPULKZCRAYBB-UHFFFAOYSA-N	181.048	2.664	50	40	AFGB	
CC/C(C=O)=C\c1ccccc1	4812257	BOCRJYUZWIOMOJ-CSKARUKUSA-N	160.216	2.679	50	40	AFGB	
C=CC/C=C(/C#N)CC=C	1716788	VLSRAONWAWHGLO-VQHVLOKHSA-N	133.194	2.589	50	40	AFGB	
CCCN1CCCC[C@H]1CCCl	71059602	MXCOSVZSWNSLBE-JTQLQIEISA-N	189.730	2.880	50	40	AFGB	
CC[C@H](C)[C@@H](C)Br	57940091	XAIYCDIAGUESKG-NTSWFWBYSA-N	165.074	2.816	50	40	AFGB	
COc1c(C)ccc(C)c1C(=O)Cl	57339705	DVPCPOMREVFKKU-UHFFFAOYSA-N	198.649	2.691	50	40	AFGB	
Cc1nc(Cl)ccc1CCl	72225900	GVFLUPICHOKZHS-UHFFFAOYSA-N	176.046	2.782	50	40	AFGB	
CC(C)c1ccc(OO)cc1	100024301	KXTYIWMMFJGCIC-UHFFFAOYSA-N	152.193	2.662	50	40	AFGB	
ClCCc1noc2ccccc12	31887802	JPVMSVAKHYEXNM-UHFFFAOYSA-N	181.622	2.609	50	40	AFGB	
Cc1cc(C(=O)Cl)cc(C)c1F	34511905	IYYXODKKYIOMIP-UHFFFAOYSA-N	186.613	2.822	50	40	AFGB	
CC[C@@H](C)OC(=O)OCCCCl	1083809176	SVSWTFIOTLLFNN-SSDOTTSWSA-N	194.658	2.567	50	40	AFGB	
C[C@@H]1CCCCC1=C(C#N)C#N	391004	JESJIAALSNRYGC-MRVPVSSYSA-N	160.220	2.540	50	40	AFGB	
O=C1N=N[C@@H](Cl)c2ccccc21	8618578	KJFRLLMCLLUBBK-SSDOTTSWSA-N	180.594	2.530	50	40	AFGB	
CC[C@H](C)[C@@H](C)Cl	57940082	JPFZKJQZKBEPGQ-NTSWFWBYSA-N	120.623	2.660	50	40	AFGB	
ClCC(Cl)(CCl)CCl	1696676	CFLWPMRPCYBIIS-UHFFFAOYSA-N	195.904	2.680	50	40	AFGB	
[C-]#[N+][C@H]1CCc2ccccc21	95697999	KNXCHLLQHRSRIT-JTQLQIEISA-N	143.189	2.593	50	40	AFGB	
BrC[C@H]1C[C@H]2C=C[C@@H]1C2	2173766	XCDJEPZLSGMJSM-XLPZGREQSA-N	187.080	2.594	50	40	AFGB	
O[C](CCl)c1cccc(Cl)c1	1560407717	ZOGCWJHRXVISKD-UHFFFAOYSA-N	190.049	2.831	50	40	AFGB	
C[C@H](Cl)c1cccc([N+](=O)[O-])c1	4218306	QRWUNNJGVSGUAF-LURJTMIESA-N	185.610	2.895	50	40	AFGB	in-vitro
CCP(=S)(CC)CC	161708	WTNQHMJTIHJURG-UHFFFAOYSA-N	150.227	2.526	50	40	AFGB	
Cc1cc(C)cc(OCCCl)c1	2379199	MBKATRIQBRCTRM-UHFFFAOYSA-N	184.666	2.921	50	40	AFGB	
C[C@H](N=C=O)c1ccc(Cl)cc1	2548052	MDGZWQDRYKKTOB-ZETCQYMHSA-N	181.622	2.737	50	40	AFGB	
ClCc1cc(Cl)nc(Cl)n1	34426379	PAWAMSWHMUDREV-UHFFFAOYSA-N	197.452	2.522	50	40	AFGB	in-vitro
N#C[C@@H](Cl)c1ccccc1F	44315874	ODVJIBFHNLMCBZ-SSDOTTSWSA-N	169.586	2.629	50	40	AFGB	
N#CC(C#N)=C/C=C\c1ccccc1	8612399	BQOCYDLOAKZPQE-DAXSKMNVSA-N	180.210	2.673	50	40	AFGB	
FC(F)=C(F)CCCl	2555165	RRHUKZXPIZGLJG-UHFFFAOYSA-N	144.523	2.693	50	40	AFGB	in-vitro
Cc1ccccc1C(=O)Br	3848409	RHMCYKIIVOITAK-UHFFFAOYSA-N	199.047	2.530	50	40	AFGB	
COc1c(C(=O)Cl)ccc(C)c1C	57339700	KFRNZFNIPZBPDO-UHFFFAOYSA-N	198.649	2.691	50	40	AFGB	
O=C(Cl)c1ccoc1C(F)F	225755062	PRGSYVRNXCMRPF-UHFFFAOYSA-N	180.537	2.596	50	40	AFGB	
CCC[C@@H](Cl)CCC(=O)Cl	96024953	BWRMBUSZHMRJJK-ZCFIWIBFSA-N	183.078	2.940	50	40	AFGB	
CC[C@@H](Br)C1CC1	71008380	HIZZGEIGDSVFBJ-ZCFIWIBFSA-N	163.058	2.570	50	40	AFGB	
CC[C@H](CCl)NC1CCCCC1	6412420	IKQLUYMRBNFLAD-SECBINFHSA-N	189.730	2.926	50	40	AFGB	
Cc1c(F)ccc(C(=O)Cl)c1F	16159530	BMMDDDOEASRDKX-UHFFFAOYSA-N	190.576	2.652	50	40	AFGB	
ClC(Cl)c1ccncc1	138396828	BSFQCFMFFSEBPA-UHFFFAOYSA-N	162.019	2.558	50	40	AFGB	
Cc1ccc(CCl)c(F)c1	78676499	FFJVADDDXFORRX-UHFFFAOYSA-N	158.603	2.873	50	40	AFGB	in-vitro
CC1(C)[C@@H]2CC[C@](C)(OO)[C@@H]1C2	100124684	QMQTYHMGPDPPPW-MRTMQBJTSA-N	170.252	2.691	50	40	AFGB	
CN(C(=O)Cl)C1CCCCC1	34497574	BZWYKPFEWYJQJZ-UHFFFAOYSA-N	175.659	2.610	50	40	AFGB	in-vitro
ClCc1cccc2cnccc12	72206980	UHPWUUQXJDAIKA-UHFFFAOYSA-N	177.634	2.974	50	40	AFGB	
COc1cc(C)cc(C)c1C(=O)Cl	57339673	OWWFAZNJHVGIKI-UHFFFAOYSA-N	198.649	2.691	50	40	AFGB	
O=C(CCl)c1cc2ccccc2o1	17043727	VNFUPOMFWAHWJR-UHFFFAOYSA-N	194.617	2.854	50	40	AFGB	
CC(C)(C)C#C/C=C\CCl	85484760	ZIXABMZBMHDFEZ-XQRVVYSFSA-N	156.656	2.831	50	40	AFGB	
CC(C)C[C@H](C#N)CBr	63064613	IBSQLFGQRHRBBK-ZETCQYMHSA-N	190.084	2.567	50	40	AFGB	in-vitro
Cl[C@H]1[C@@H]2CC[C@@H](C2)[C@H]1Cl	80874935	FRNCOQMOHQNWML-RNGGSSJXSA-N	165.063	2.631	50	40	AFGB	
O=C(Cl)[C@H]1C[C@H]1c1ccccc1	2169990	SODZBMGDYKEZJG-IUCAKERBSA-N	180.634	2.556	50	40	AFGB	in-vitro
Cc1cc(CCl)c2c(c1)CCO2	82394709	NWGFYVIMPJMPFT-UHFFFAOYSA-N	182.650	2.669	50	40	AFGB	
C[C@H]1CCCCN1CC(Cl)Cl	1619211	CANPMJAMKIIYGQ-ZETCQYMHSA-N	196.121	2.665	50	40	AFGB	
CCC[C@H](CCCCl)OC	85396646	ZCNDDFFWEPNTDG-MRVPVSSYSA-N	164.676	2.821	50	40	AFGB	
C=C[C@H](CC)O[Si](C)(C)C	195760409	KTFGBLWQHYSYMZ-MRVPVSSYSA-N	158.317	2.803	50	40	AFGB	
Oc1ccc(CCCCl)cc1	34189699	VLMTVJTVYPCOOM-UHFFFAOYSA-N	170.639	2.564	50	40	AFGB	
CC[P@](=O)(Cl)OC(C)C	196424045	DEMOFDHAHKVQGA-SECBINFHSA-N	170.576	2.863	50	40	AFGB	
CCCC[S@](=O)[C@H](Cl)CCC	1692612	FHWJLZBLAFUSGT-GZMMTYOYSA-N	196.743	2.900	50	40	AFGB	
O=C(Cl)c1ccc2ncsc2c1	2540091	NGQVUZRWHRIRFX-UHFFFAOYSA-N	197.646	2.675	50	40	AFGB	
ClCCOC1CCCCCC1	40227986	YRYYDIGNLDTVIY-UHFFFAOYSA-N	176.687	2.965	50	40	AFGB	
CCCCOC(F)(F)[C@@H](F)Cl	96395147	RAIRJHMHXFZQEO-RXMQYKEDSA-N	190.592	2.930	50	40	AFGB	
CC(C)(C(=O)CCl)c1ccccc1	83822210	GQQUKXOVRPQCHJ-UHFFFAOYSA-N	196.677	2.772	50	40	AFGB	
Cc1ccc(O)c(C(=O)CCCl)c1	39185702	CRCFRUFQZJAZEA-UHFFFAOYSA-N	198.649	2.512	50	40	AFGB	
CC(C)(C)c1ccc([C@H](O)C#N)cc1	59261771	IDVNRVASEIMNBY-LLVKDONJSA-N	189.258	2.541	50	40	AFGB	
ClCn1cnc(-c2ccccc2)c1	199738563	BVWKEVTZKNYUKG-UHFFFAOYSA-N	192.649	2.746	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CCC[C@H]21	104094243	IPDOFRJNRBVHSE-RVPZKGPBSA-N	199.681	2.795	50	40	AFGB	
C=C(C)CCC/C(C)=C/C=O	2134281	DCFAKOWBMYCWIZ-JXMROGBWSA-N	152.237	2.878	50	40	AFGB	biogenic
ClCCCNC[C@H]1CC=CCC1	6904696	IQNBOZOTNNIXFL-JTQLQIEISA-N	187.714	2.561	50	40	AFGB	
N#C/C=C1/c2ccccc2C[C@H]1Cl	143835510	XXMYJIWLVOGMKK-GULOHRGCSA-N	189.645	2.757	50	40	AFGB	
CCCOc1ccccc1C(=O)Cl	22001833	BJMZHGBTBCQLNN-UHFFFAOYSA-N	198.649	2.854	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@H]21	100498163	YKPBRMJPNZXKRN-RVPZKGPBSA-N	197.665	2.571	50	40	AFGB	
C[C@@H](Cl)CCCCl	1693388	IJZUPZAYWWVHIO-RXMQYKEDSA-N	141.041	2.633	50	40	AFGB	in-vitro
Cn1ccc2cc(C(=O)Cl)ccc21	98213520	PEFVZDZPYGMCPJ-UHFFFAOYSA-N	193.633	2.557	50	40	AFGB	
C=C[C@@H](CC)O[Si](C)(C)C	195760410	KTFGBLWQHYSYMZ-QMMMGPOBSA-N	158.317	2.803	50	40	AFGB	
N#C[C@H](Cl)c1ccc(F)cc1F	45626830	WJVFUIFMIMGJHH-ZETCQYMHSA-N	187.576	2.768	50	40	AFGB	in-vitro
Fc1ccccc1OCCCCl	22210088	KNJPVCXGHKZYQE-UHFFFAOYSA-N	188.629	2.833	50	40	AFGB	
O=C(Cl)c1cccc2ncccc12	38416455	XNEVJLJCAPXMSO-UHFFFAOYSA-N	191.617	2.614	50	40	AFGB	
Cc1nc2ccc(C(=O)Cl)cc2o1	39057036	JCERQLRQJYTHQY-UHFFFAOYSA-N	195.605	2.515	50	40	AFGB	
CC(=O)[C@@H](Cl)c1ccccc1	2043286	KFPLPFVPPOJDFF-SECBINFHSA-N	168.623	2.556	50	40	AFGB	
CCCCc1noc([C@@H](C)Cl)n1	12760916	ZENRJUHCFROHJI-ZCFIWIBFSA-N	188.658	2.712	50	40	AFGB	in-vitro
C[C@@H](NCCCl)c1ccccc1	36532703	VXJNLMNYUNOCES-SECBINFHSA-N	183.682	2.576	50	40	AFGB	
N#Cc1ccc(OCCCCl)cc1	22213930	FDDVVDQBDFMXNB-UHFFFAOYSA-N	195.649	2.566	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@@H]([C@H]3CC=C[C@H]32)[C@H]1Cl	100498164	YKPBRMJPNZXKRN-WBBBMGQGSA-N	197.665	2.571	50	40	AFGB	
C[C@@H](Cl)C[C@@H](C)Cl	2031646	DYGOBGYJRRKFEN-RFZPGFLSSA-N	141.041	2.631	50	40	AFGB	
CC(=O)CS(F)(F)(F)(F)F	97972138	DHRUHEYRVALBNO-UHFFFAOYSA-N	184.129	2.874	50	40	AFGB	
Fc1ccc(C#CCCl)cc1F	57840928	OEILQXMZWCEBMP-UHFFFAOYSA-N	186.588	2.555	50	40	AFGB	
CCCC[P@](=O)(Cl)OC	147647926	JBYPKYIHXQOHGO-SECBINFHSA-N	170.576	2.865	50	40	AFGB	
ClCc1cc(-c2ccsc2)n[nH]1	307151857	WNULDMMVPCEWEQ-UHFFFAOYSA-N	198.678	2.877	50	40	AFGB	
Fc1cnc(CCl)c(Cl)c1	91692935	HTNNQVCLHCOQLP-UHFFFAOYSA-N	180.009	2.613	50	40	AFGB	
Cc1cc(C)c(/C=C/C=O)c(C)c1	14983684	PBSWKUAPPIGTBQ-SNAWJCMRSA-N	174.243	2.824	50	40	AFGB	in-vitro
C[Si](C)(C)CCCl	195962914	HPWWMXONAIDFQW-UHFFFAOYSA-N	136.698	2.563	50	40	AFGB	in-vitro
N#CC12CCC(CC1)C[C@@H]2Cl	4775323	AMCAVUIFKCMUFR-MGURRDGZSA-N	169.655	2.698	50	40	AFGB	
N#C/C(=C/O)c1cccc(Cl)c1	100026019	RACSHTFWRKNIBG-VURMDHGXSA-N	179.606	2.762	50	40	AFGB	
CCC[C@H](Cl)CCl	2039343	PPLBPDUKNRCHGG-YFKPBYRVSA-N	141.041	2.633	50	40	AFGB	in-vitro
N#C/C=C(/Cl)c1ccc(F)cc1	6191788	QYJZLGBSSYBYSY-WEVVVXLNSA-N	181.597	2.929	50	40	AFGB	
S=C=NCCC1=CCCCC1	4289069	ODRCTXFHFSJYPA-UHFFFAOYSA-N	167.277	2.980	50	40	AFGB	
Cl[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@H]21	100140795	BVIVIHDQFQUFSV-FHNUBNKASA-N	168.667	2.826	50	40	AFGB	
O=C(Cl)Cc1coc2ccccc12	5177641	HDUZJCZRUHHTNW-UHFFFAOYSA-N	194.617	2.741	50	40	AFGB	
Cc1cc(CCl)cnc1Cl	35784198	VUOXMMUURWOTAY-UHFFFAOYSA-N	176.046	2.782	50	40	AFGB	in-vitro
Fc1cnc(Cl)c(CCl)c1	95761838	SZUXJQLARCXUCZ-UHFFFAOYSA-N	180.009	2.613	50	40	AFGB	
O=C(C1CC1)[C@H](Cl)c1ccccc1	88111890	GFPXYVDOQWHIOA-SNVBAGLBSA-N	194.661	2.946	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CCC[C@@H]21	104094237	IPDOFRJNRBVHSE-MHCVYJKHSA-N	199.681	2.795	50	40	AFGB	
Cc1ccc([N+](=O)[O-])cc1CCl	3848594	HBCZMIJXNQCIDC-UHFFFAOYSA-N	185.610	2.642	50	40	AFGB	
C[C@@H](Cl)c1ccc2c(c1)CCO2	40269236	IRPPUNZSSRZJTF-SSDOTTSWSA-N	182.650	2.921	50	40	AFGB	
[C-]#[N+]CCCc1ccccc1	95713453	ZQMZCHTXHCEALS-UHFFFAOYSA-N	145.205	2.538	50	40	AFGB	
C[Si]1(C)CC[C@H](Cl)C1	238460290	GJHGJSWZAQWZNR-LURJTMIESA-N	148.709	2.706	50	40	AFGB	
Cc1ccccc1OCCCl	5003896	VULUPRKDRIRLLH-UHFFFAOYSA-N	170.639	2.613	50	40	AFGB	in-vitro
Cc1ccc(C#CCCl)cc1F	95633710	WXGMWZKRKKVWIY-UHFFFAOYSA-N	182.625	2.724	50	40	AFGB	
N#C/C=C/c1c[nH]c2cc(F)ccc12	72108663	PXZIHGFKKGMRNQ-OWOJBTEDSA-N	186.189	2.844	50	40	AFGB	
CC(=O)c1ccc([C@@H]2C[C@@H]2Cl)cc1	163673	RTQFNKZPZXAHEK-QWRGUYRKSA-N	194.661	2.984	50	40	AFGB	
CC[C@@H](Cl)C(=O)c1cccs1	71423542	GRNOETBWUGXPIK-ZCFIWIBFSA-N	188.679	2.948	50	40	AFGB	
Cc1ccccc1CSC#N	3848393	TXIRPFGRGWWMSB-UHFFFAOYSA-N	163.245	2.709	50	40	AFGB	
BrC1CC2(CCC2)C1	218825275	HIRZDAOWARBVFV-UHFFFAOYSA-N	175.069	2.714	50	40	AFGB	
Cc1cc(CCl)cc(C)c1O	1716985	BNOWAXCNVZBPPF-UHFFFAOYSA-N	170.639	2.748	50	40	AFGB	
CC(C)(C)SCCCl	1691382	FTZZXHJHQHXYRA-UHFFFAOYSA-N	152.690	2.757	50	40	AFGB	
C[C@]12CC[C@@H](C[C@@H]1Cl)C2	100355382	PNBYKXYJGLDXAU-BIIVOSGPSA-N	144.645	2.804	50	40	AFGB	
CC(C)CSCCCl	20231169	ATBVWZMGSZWQRG-UHFFFAOYSA-N	152.690	2.614	50	40	AFGB	
C[C@@H](N=C=S)c1cccs1	35737085	FNULICTWRLOKEU-ZCFIWIBFSA-N	169.274	2.912	50	40	AFGB	
OCCCCCCCCCCl	54967594	XZWFEAMFGGBZOX-UHFFFAOYSA-N	178.703	2.948	50	40	AFGB	
CCCO[C@@H]1CCCC[C@@H]1Cl	5431457	NABGZHYZDHRVJQ-DTWKUNHWSA-N	176.687	2.963	50	40	AFGB	
CCOc1ccccc1C(=O)CCl	43674168	AKOXYHHFFRQDPN-UHFFFAOYSA-N	198.649	2.507	50	40	AFGB	
ClCCOc1ccc(Cl)cc1	2507104	DFJCCNZMGVNBKQ-UHFFFAOYSA-N	191.057	2.958	50	40	AFGB	
COc1ccc(CCCl)cc1F	55265004	VFQCGUSUZCFVRM-UHFFFAOYSA-N	188.629	2.616	50	40	AFGB	
ClCCCNC[C@@H]1CC=CCC1	6904634	IQNBOZOTNNIXFL-SNVBAGLBSA-N	187.714	2.561	50	40	AFGB	
CCn1c(CCl)nc2ccccc21	9238693	NGOCULQAUYHTQF-UHFFFAOYSA-N	194.665	2.795	50	40	AFGB	in-vitro
Cc1cc2ccc(C(=O)Cl)cn2c1	16124722	PLQHVEKMVRKVMZ-UHFFFAOYSA-N	193.633	2.627	50	40	AFGB	
Cc1cccc(C(=O)CCl)c1C	87224221	OJPSQTSCSNYQDK-UHFFFAOYSA-N	182.650	2.725	50	40	AFGB	
[C-]#[N+]Cc1c(F)cccc1Cl	95698292	JRPJCZQQHMTREY-UHFFFAOYSA-N	169.586	2.898	50	40	AFGB	
COc1ccc(C(C)=C(C#N)C#N)cc1	1638534	FHABJCOKDOJSHP-UHFFFAOYSA-N	198.225	2.516	50	40	AFGB	
CC(C)n1ncc2c1CC[C@H](Cl)C2	575425794	WVCIVOBXCSUDIG-VIFPVBQESA-N	198.697	2.560	50	40	AFGB	
CNC[C@@H](C)[C@H](Cl)c1ccccc1	1614508	RQIXDSAGGOMBSS-KOLCDFICSA-N	197.709	2.822	50	40	AFGB	
O=CC1=C(Cl)c2cc(F)ccc2C1	1857793503	BLJKYHZIJCBLGM-UHFFFAOYSA-N	196.608	2.531	50	40	AFGB	
O[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@H]1Cl	5432326	NRGPCFYRZKKZSX-UTINFBMNSA-N	188.698	2.555	50	40	AFGB	
Cc1cc2ccc(CCl)nc2[nH]1	238509701	MCMYWCNMZRAPAF-UHFFFAOYSA-N	180.638	2.610	50	40	AFGB	
Cc1nc(NC(C)C)ccc1CCl	72224036	HPXFEBUOCLBODU-UHFFFAOYSA-N	198.697	2.949	50	40	AFGB	
CCC[C@@H](Cl)CCl	2039344	PPLBPDUKNRCHGG-RXMQYKEDSA-N	141.041	2.633	50	40	AFGB	in-vitro
CC1(C)/C(=C/C=O)[C@@H]2CC[C@H]1C2	33955200	CSUCBYYLYMFEFB-BUDQVDAVSA-N	164.248	2.568	50	40	AFGB	
ClC[C@@]1(Cl)CC1(Cl)Cl	1715135	OWOUIPCYNZXCFC-VKHMYHEASA-N	193.888	2.780	50	40	AFGB	
Cc1cc(CCl)cnc1NC(C)C	72221955	OOZNKMNVISLPKV-UHFFFAOYSA-N	198.697	2.949	50	40	AFGB	
COc1ccc(CCCl)c(C)c1	78676487	DHVLRKHIUIQFNX-UHFFFAOYSA-N	184.666	2.785	50	40	AFGB	
C/C=C(/C)CC/C(C)=C\C=O	207962738	PEAPMUZNABIRAP-APXACOEDSA-N	152.237	2.878	50	40	AFGB	
Cc1ccc(C2(C(=O)Cl)CC2)cc1	67801581	XZBINZCNADGVHM-UHFFFAOYSA-N	194.661	2.792	50	40	AFGB	
CSC/C(C=O)=C/c1ccccc1	60248656	QJDHQEQDIWDMOT-YRNVUSSQSA-N	192.283	2.632	50	40	AFGB	endogenous,in-man
ClCc1nncn1C1CCCCC1	149842079	UQASHNYLUYZRLC-UHFFFAOYSA-N	199.685	2.522	50	40	AFGB	
O=Cc1ccccc1OCCCCl	9261484	SBQKCBTXKZDWLR-UHFFFAOYSA-N	198.649	2.507	50	40	AFGB	
Br[C@@H]1CC2CCC1CC2	103849365	SFAAKNFUDVMJAE-KAVNDROISA-N	189.096	2.960	50	40	AFGB	
Cc1cc(CCl)ccc1N(C)C	50562700	FGPKOZFDUSGOMY-UHFFFAOYSA-N	183.682	2.800	50	40	AFGB	in-vitro
C=C[C@@H]1[C@@H](Cl)[C@H]2CC[C@@H]1C2	104187110	YSVJVNHNYSSNHQ-XGEHTFHBSA-N	156.656	2.826	50	40	AFGB	
O=C(Cl)c1c[nH]c2cccc(F)c12	104505376	LDMRWLONUQPIOJ-UHFFFAOYSA-N	197.596	2.686	50	40	AFGB	
CO[Si](C)(C)C[C@H](C)CCl	199855108	ILFZYFOFQNBVIS-SSDOTTSWSA-N	180.751	2.713	50	40	AFGB	
CC(C)NC[C@@H](C)CCCCl	1646211	VOBZJHYFCYUEIT-VIFPVBQESA-N	177.719	2.640	50	40	AFGB	
ClCc1ccncc1CCl	100155442	HKXIQVHSQFKAQN-UHFFFAOYSA-N	176.046	2.559	50	40	AFGB	
C[C@@H](Cl)c1nc(C(C)(C)C)no1	12769382	MOJSUKJPSSEAOZ-RXMQYKEDSA-N	188.658	2.667	50	40	AFGB	in-vitro
ClCc1cn(C2CCCCC2)nn1	52225396	INESEWNMHNHYGZ-UHFFFAOYSA-N	199.685	2.522	50	40	AFGB	
C#CCCCCCBr	70791447	SCHBMYWHADQVBE-UHFFFAOYSA-N	175.069	2.575	50	40	AFGB	in-vitro
C[Si](C)(CCl)C(Cl)Cl	170013452	ZUIHDDQMGCGAQN-UHFFFAOYSA-N	191.561	2.816	50	40	AFGB	
FC1(F)C[C@H](CCl)C1(F)F	2584350	OXWJVEJIBUWIIX-GSVOUGTGSA-N	176.540	2.516	50	40	AFGB	
CC[C@H](C)CCBr	2005556	MDCCBJLCTOTLKM-LURJTMIESA-N	165.074	2.818	50	40	AFGB	
Cc1nc(NC2CC2)ccc1CCl	72224843	BFJYNGSBDMZYHL-UHFFFAOYSA-N	196.681	2.703	50	40	AFGB	
O=C(F)c1cccc2ccccc12	1632807	MQZJWWZUARZRCU-UHFFFAOYSA-N	174.174	2.950	50	40	AFGB	
CCCCCC[C@@H](Cl)C=O	141203749	YSBIXKAZMUYACB-MRVPVSSYSA-N	162.660	2.763	50	40	AFGB	
Cl[C@@H]1CCOc2ccccc21	26515738	NUISHYVQGHCDEH-MRVPVSSYSA-N	168.623	2.749	50	40	AFGB	in-vitro
CCC(C)=NO[Si](C)(C)C	256124585	SEAFDZSFYYHNDU-UHFFFAOYSA-N	159.305	2.624	50	40	AFGB	
FC(F)(F)[C@@](F)(Cl)CCl	72265595	LOCOMRPWMOCMPV-UWTATZPHSA-N	184.947	2.692	50	40	AFGB	
O=C(F)c1ccc(C(F)(F)F)cc1	1847505	RULVRLLGHXQORW-UHFFFAOYSA-N	192.111	2.815	50	40	AFGB	
C[C@H](Cl)c1ccccc1	2031482	GTLWADFFABIGAE-ZETCQYMHSA-N	140.613	2.986	50	40	AFGB	
Cc1ccoc1O[Si](C)(C)C	195835372	MHGPOEIGXMGUIA-UHFFFAOYSA-N	170.284	2.802	50	40	AFGB	
CC1(C)CCC[C@@H]1Br	83821959	YWAZLGZDMIGDHZ-LURJTMIESA-N	177.085	2.960	50	40	AFGB	in-vitro
CC(C)=CCCC(C)=CC=O	1857626526	WTEVQBCEXWBHNA-UHFFFAOYSA-N	152.237	2.878	50	40	AFGB	
N#C/C=C/c1cccc(Cl)c1	1624969	HMADLTFIHASVIY-DUXPYHPUSA-N	163.607	2.877	50	40	AFGB	
CC(C)(C)N(CCCl)CCCl	1687869	BSXSSXPCEVBUSF-UHFFFAOYSA-N	198.137	2.565	50	40	AFGB	
C/C=C(/C#N)c1ccc(F)cc1F	82238049	PFLMYECOCMDOBH-UQCOIBPSSA-N	179.169	2.892	50	40	AFGB	
COc1cccc2c1[C@@H]1C=C(C#N)[C@@H]2C1	100941027	MOCHAKQBQWCEQE-KCJUWKMLSA-N	197.237	2.730	50	40	AFGB	
CC/C(C#N)=C(/C)C1CC1	1716730	MZODFVVZSDAFNU-BQYQJAHWSA-N	135.210	2.646	50	40	AFGB	
ClCC=Cc1ccccc1	1857775754	IWTYTFSSTWXZFU-UHFFFAOYSA-N	152.624	2.939	50	40	AFGB	
Fc1cc(F)cc(C#CCCl)c1	57840652	PJDVBNXPCSDEMT-UHFFFAOYSA-N	186.588	2.555	50	40	AFGB	
CC(C)[C@H](C)CBr	69688158	CNNUHHAUPSXEKI-ZCFIWIBFSA-N	165.074	2.673	50	40	AFGB	
S=C=NC[C@H](Cl)CCCCl	100476095	RLOWUJXVPSIYHE-ZCFIWIBFSA-N	198.118	2.716	50	40	AFGB	in-vitro
Cl[C@@H]1OCCCC1(Cl)Cl	158239	ZAKVZNJDGLAPHL-SCSAIBSYSA-N	189.469	2.536	50	40	AFGB	in-vitro
Fc1cc(F)c(F)c(CCCl)c1	104459872	OCPZEFFFVQKXEW-UHFFFAOYSA-N	194.583	2.885	50	40	AFGB	
[C-]#[N+]CCc1ccccc1Cl	95698264	FLVWLQVWNITMNM-UHFFFAOYSA-N	165.623	2.802	50	40	AFGB	
[C-]#[N+]Cc1ccc(Br)cc1	95698361	VFINYUMVPDVXKG-UHFFFAOYSA-N	196.047	2.868	50	40	AFGB	
ClCCCOCCc1ccccc1	34958242	RFJWFACEKUQENW-UHFFFAOYSA-N	198.693	2.875	50	40	AFGB	in-vitro
CC/C(C#N)=C(\C)C1CC1	16929798	MZODFVVZSDAFNU-FPLPWBNLSA-N	135.210	2.646	50	40	AFGB	
ClCc1ccc2ccncc2c1	144235640	MDOSBWVKDQQFEH-UHFFFAOYSA-N	177.634	2.974	50	40	AFGB	
O=C(CCl)c1cc2ccccc2[nH]1	54764	FGNVLOKUUCLSCE-UHFFFAOYSA-N	193.633	2.589	50	40	AFGB	
N#CC(C#N)=Cc1cccc(Cl)c1	97955	CGLGAIINXSHQBP-UHFFFAOYSA-N	188.617	2.771	50	40	AFGB	
C[C@H]1CCCC[C@H]1N=C=S	4200476	PZMGXEOAUNVRIR-JGVFFNPUSA-N	155.266	2.668	50	40	AFGB	in-vitro
CC(C)[C@@H](N=C=O)c1ccc(F)cc1	41206160	FLCHLTQXNFKEPI-LLVKDONJSA-N	193.221	2.859	50	40	AFGB	
C[C@@H]1CCC[C@@H](C)N1C(=O)Cl	62466312	JOPVMXGJULJMLT-RNFRBKRXSA-N	175.659	2.608	50	40	AFGB	in-vitro
N#CS[C@H]1CCCC[C@@H]1SC#N	1557999	XSRBJMAFLWWLFP-YUMQZZPRSA-N	198.316	2.726	50	40	AFGB	
O=C(Cl)CCc1ccccc1F	16158256	UKMJNLBMILIWFH-UHFFFAOYSA-N	186.613	2.524	50	40	AFGB	in-vitro
CC[C@H](C)[C@H](C)Cl	57940087	JPFZKJQZKBEPGQ-WDSKDSINSA-N	120.623	2.660	50	40	AFGB	
CC(C)=C[C@H]1[C@H](C(=O)Cl)C1(C)C	2019237	VNTCVNLNEOVBEE-JGVFFNPUSA-N	186.682	2.990	50	40	AFGB	
CN(C(=S)Cl)c1ccccc1	2506718	VSVGLMSXVIDZDG-UHFFFAOYSA-N	185.679	2.647	50	40	AFGB	
Fc1ccc(Cl)nc1CCl	95761910	CLTPFUHAMOIPAM-UHFFFAOYSA-N	180.009	2.613	50	40	AFGB	
Cc1cccc(CCl)c1F	75898731	KIXKPLUFGGYZPN-UHFFFAOYSA-N	158.603	2.873	50	40	AFGB	in-vitro
O=C(Cl)/C=C\c1cccs1	95896325	KKPKHEMQDJRRIE-ARJAWSKDSA-N	172.636	2.527	50	40	AFGB	
Cc1ccc(CC(=O)Cl)c(C)c1	34069261	VHSRWRNGXYOGJU-UHFFFAOYSA-N	182.650	2.611	50	40	AFGB	
Cc1cccc2oc(CCl)nc12	34179823	NOIXGDYQXXKPLT-UHFFFAOYSA-N	181.622	2.875	50	40	AFGB	
COc1ccccc1C(=O)[C@H](C)Cl	32009675	GNOXRRVFXLGKBJ-ZETCQYMHSA-N	198.649	2.505	50	40	AFGB	
Cc1cccc2c1CC(C=O)=C2Cl	238549849	CZCQUOQMNNWNFI-UHFFFAOYSA-N	192.645	2.700	50	40	AFGB	
CC(C)c1ocnc1CCl	85942873	DPJVBURNZCORPI-UHFFFAOYSA-N	159.616	2.537	50	40	AFGB	
CCCSSCC	2034568	SNGRPWPVGSSZGV-UHFFFAOYSA-N	136.285	2.798	50	40	AFGB	endogenous,in-man
Clc1nccc(C(Cl)Cl)n1	97971569	HMRQEGIUGQZBMV-UHFFFAOYSA-N	197.452	2.606	50	40	AFGB	in-vitro
O=CC1=Cc2cccc3cccc1c23	34410452	DJGQYTUXTCURSC-UHFFFAOYSA-N	180.206	2.893	50	40	AFGB	
C[Si](C)(C)OO[Si](C)(C)C	196097393	XPEMYYBBHOILIJ-UHFFFAOYSA-N	178.380	2.604	50	40	AFGB	in-vitro
CC(C)CCC1=NO[C@@H](CCl)C1	217845578	YRUMWHIXGZOPPE-SECBINFHSA-N	189.686	2.806	50	40	AFGB	
C[C@H](CC(=O)Cl)c1ccccc1	2574169	XCAXRFFRVJOHMX-MRVPVSSYSA-N	182.650	2.946	50	40	AFGB	
O=C(CCl)c1ccc2c(c1)CCC2	4200501	OJAALMGLOFSSHR-UHFFFAOYSA-N	194.661	2.597	50	40	AFGB	in-vitro
CC(C)Cc1nnc([C@H](C)Cl)o1	21950163	JSODMRYPYWHQTC-LURJTMIESA-N	188.658	2.568	50	40	AFGB	in-vitro
CC[C@@H](CCl)NC1CCCCC1	1710287	IKQLUYMRBNFLAD-VIFPVBQESA-N	189.730	2.926	50	40	AFGB	
O[C@@H]1C[C@@H]2CCCC[C@H]2C[C@@H]1Cl	5432325	NRGPCFYRZKKZSX-AATLWQCWSA-N	188.698	2.555	50	40	AFGB	
ClCCc1cccs1	37405171	FMOIXKQKOWLYEK-UHFFFAOYSA-N	146.642	2.529	50	40	AFGB	in-vitro
CCOc1ccc(C(=O)CCl)cc1	4200368	ZYLJLWLQPBRDLN-UHFFFAOYSA-N	198.649	2.507	50	40	AFGB	in-vitro
Fc1cnc(CCl)c(CCl)c1	97950267	NXAQSGMFZZYCFL-UHFFFAOYSA-N	194.036	2.698	50	40	AFGB	
CC1=C(C#N)c2ccccc2C1	4273542	USZRDTGKFDCWNZ-UHFFFAOYSA-N	155.200	2.540	50	40	AFGB	
[C-]#[N+]Cc1cccc(C[N+]#[C-])c1	100167549	RKNVJCISCHZVHU-UHFFFAOYSA-N	156.188	2.525	50	40	AFGB	
CC[P@@](=O)(Cl)OC(C)C	196424053	DEMOFDHAHKVQGA-VIFPVBQESA-N	170.576	2.863	50	40	AFGB	
FC(F)(F)c1ncccc1CCl	91301438	DWOQJLJLLCVGTF-UHFFFAOYSA-N	195.571	2.839	50	40	AFGB	in-vitro
FC1(F)CCC[C@H]1Br	1775956514	IEWCFLWXTCDJCR-SCSAIBSYSA-N	185.011	2.569	50	40	AFGB	
CCc1ccc(C=C(C#N)C#N)cc1	4070489	IMQCNKNDHGZZTE-UHFFFAOYSA-N	182.226	2.680	50	40	AFGB	
O=C/C=C/c1c(F)cccc1Cl	14982388	CULZNIOWOCPUHH-NSCUHMNNSA-N	184.597	2.691	50	40	AFGB	
C[C@H]1CCC[C@@H](C)N1C(=O)Cl	62466303	JOPVMXGJULJMLT-KNVOCYPGSA-N	175.659	2.608	50	40	AFGB	in-vitro
[C-]#[N+]C(C)(C)c1ccccc1	95697010	UCYVXSFAIBSXIM-UHFFFAOYSA-N	145.205	2.841	50	40	AFGB	
CCN(CCCl)c1ccccc1	1718311	DBDNQNARCHWMSP-UHFFFAOYSA-N	183.682	2.752	50	40	AFGB	
O=C(CCl)c1ccc2cc[nH]c2c1	34263259	JMEZBMJMDRLDLN-UHFFFAOYSA-N	193.633	2.589	50	40	AFGB	in-vitro
CC1(C)CC(Br)C1	95093147	YBYISQCMNIWGQJ-UHFFFAOYSA-N	163.058	2.570	50	40	AFGB	in-vitro
C[C@H](Cl)c1nc(-c2ccco2)no1	20281093	POHJBSGNXADHRQ-YFKPBYRVSA-N	198.609	2.629	50	40	AFGB	in-vitro
Cl[C@H]1CCCC[C@H]1Cl	95803234	GZEZIBFVJYNETN-OLQVQODUSA-N	153.052	2.775	50	40	AFGB	in-vitro
C=CCOP(=O)(Cl)OCC=C	82029205	LEWQIRKQOJDHEC-UHFFFAOYSA-N	196.570	2.739	50	40	AFGB	
[C-]#[N+][C@@H](C)c1ccc(F)cc1	95686710	ZCMLTZQJXGHXQJ-ZETCQYMHSA-N	149.168	2.806	50	40	AFGB	
CC(C)(C)n1ccc(C(=O)CCl)c1	20131643	IHJRGVYAONHZRV-UHFFFAOYSA-N	199.681	2.665	50	40	AFGB	
COc1ccc(C(=O)[C@@H](C)Cl)cc1	2585936	FTNUZHDTKWNHGN-SSDOTTSWSA-N	198.649	2.505	50	40	AFGB	in-vitro
O=C(Cl)c1nccc2ccccc12	34492575	IUTDICPUOGGCKH-UHFFFAOYSA-N	191.617	2.614	50	40	AFGB	
C/C(=C/c1ccccc1)C(=O)Cl	1615282	XHIRBFXXIZZLNG-FPLPWBNLSA-N	180.634	2.855	50	40	AFGB	
N#C[C@@H](Cl)c1ccc(F)cc1	44315878	OUFGQHFAYMPMOD-MRVPVSSYSA-N	169.586	2.629	50	40	AFGB	
COc1cccc2c1[C@@H]1C=C(C#N)[C@H]2C1	6019174	MOCHAKQBQWCEQE-LDYMZIIASA-N	197.237	2.730	50	40	AFGB	
S=C=Nc1cccc2cccnc12	19840538	YTKGLDCQABZZEU-UHFFFAOYSA-N	186.239	2.969	50	40	AFGB	
O=C(Cl)c1coc2ccccc12	34936254	YUHWSRVMUQSCNL-UHFFFAOYSA-N	180.590	2.812	50	40	AFGB	in-vitro
ClCc1nccc2ccccc12	39426345	LSNWNTHKHQTQMT-UHFFFAOYSA-N	177.634	2.974	50	40	AFGB	in-vitro
Cl[C@H]1OCCCC1(Cl)Cl	158238	ZAKVZNJDGLAPHL-BYPYZUCNSA-N	189.469	2.536	50	40	AFGB	in-vitro
COc1ccc([C@@H](C)Cl)cc1	32006593	ZVBHVYBULNCPQB-SSDOTTSWSA-N	170.639	2.995	50	40	AFGB	in-vitro
[C-]#[N+]Cc1cccc(Cl)c1F	104462046	AVDMMLFMIHFURH-UHFFFAOYSA-N	169.586	2.898	50	40	AFGB	
Cc1cc(CCl)cc(Cl)n1	88189789	JNYFUZZTJPBDPC-UHFFFAOYSA-N	176.046	2.782	50	40	AFGB	in-vitro
FC(F)(F)[C@@H]1CC[C@H](Cl)C1	256051826	KPSAURLMVRPRSS-UHNVWZDZSA-N	172.577	2.956	50	40	AFGB	
C/C(C=O)=C\c1c[nH]c2ccccc12	86208320	WWJPUWLLASTFAB-RMKNXTFCSA-N	185.226	2.770	50	40	AFGB	
CC1(CBr)CCC1	83822196	BHJMIRNMEIFCGF-UHFFFAOYSA-N	163.058	2.572	50	40	AFGB	in-vitro
CCO/C(C)=C(/C#N)O[Si](C)(C)C	195824888	HTALKQILQICCSX-HJWRWDBZSA-N	199.326	2.629	50	40	AFGB	
ClCc1ccn(C2CCCC2)n1	72209581	AVXQYBVQSTYEEM-UHFFFAOYSA-N	184.670	2.737	50	40	AFGB	in-vitro
O=C(Cl)c1cccc2cccnc12	34351309	JLZCPFISUMNHDT-UHFFFAOYSA-N	191.617	2.614	50	40	AFGB	
CCc1ccc(C#CCCl)cc1	57840955	LALVCFJQQXQSAM-UHFFFAOYSA-N	178.662	2.839	50	40	AFGB	
C[C@]1(C(Cl)Cl)CCCCC1=O	1704918	WXWMCAOWMRFJFP-QMMMGPOBSA-N	195.089	2.940	50	40	AFGB	
CC(C)(Cl)C(Cl)Cl	2527971	FRRHZKFKOHHEJR-UHFFFAOYSA-N	161.459	2.808	50	40	AFGB	
CC(C)(C)C(Cl)Cl	2507476	RHJLMJAWDKKWPH-UHFFFAOYSA-N	141.041	2.836	50	40	AFGB	
ClCC1CCCCC1	55412823	OMEGHMBBBTYRFT-UHFFFAOYSA-N	132.634	2.806	50	40	AFGB	in-vitro
Cc1cc(Cl)ncc1CCl	72225877	VWCCSDFSIAVAHL-UHFFFAOYSA-N	176.046	2.782	50	40	AFGB	
N#CC(C#N)=Cc1ccc(Cl)s1	109566	LPCCSTOMSFZWGQ-UHFFFAOYSA-N	194.646	2.832	50	40	AFGB	
C/C=C/SSC	5371734	FUDUFCLRGSEHAJ-ONEGZZNKSA-N	120.242	2.531	50	40	AFGB	
CNCC[C@H](Cl)c1ccccc1	26893676	GOFAJKACZNCZCM-JTQLQIEISA-N	183.682	2.576	50	40	AFGB	
FC(F)(F)c1ccncc1CCl	95642398	WCZOSQNZWBBWCL-UHFFFAOYSA-N	195.571	2.839	50	40	AFGB	
OCCCS(F)(F)(F)(F)F	97957401	AURGXGIMGXMMHE-UHFFFAOYSA-N	186.145	2.667	50	40	AFGB	
Cc1ccc(C)c(C#CCCl)c1	57840770	AAXLWKSXSDUUPP-UHFFFAOYSA-N	178.662	2.894	50	40	AFGB	
Cc1cc(Cl)cc(/C=C/C=O)c1O	216763673	SWBRYCAOTNQYJB-NSCUHMNNSA-N	196.633	2.566	50	40	AFGB	
Cc1ccc([C@H](C)N=C=S)o1	49216812	HPDMKEZUCPTMBS-ZETCQYMHSA-N	167.233	2.752	50	40	AFGB	
Cc1ccc(C#CCCl)c(C)c1	57840895	ZQTZETHVKDVPCU-UHFFFAOYSA-N	178.662	2.894	50	40	AFGB	
C=C(/C=C\OC)O[Si](C)(C)C	169743075	SHALBPKEGDBVKK-SREVYHEPSA-N	172.300	2.512	50	40	AFGB	
Cc1cc(N)cc(Cl)c1SC#N	226755673	KWSIZQAAHZHUSX-UHFFFAOYSA-N	198.678	2.804	50	40	AFGB	
CCCCC/C(C)=C(/C#N)C(=O)OC	17162147	FGFQRKNEAMQEIR-KTKRTIGZSA-N	195.262	2.580	50	40	AFGB	
Cc1ccc(F)cc1CCCl	55230712	LJWPQKQCRSIFPS-UHFFFAOYSA-N	172.630	2.915	50	40	AFGB	
Fc1ccc2nc(CCl)ncc2c1	307163160	YWZUBYMYVCZGBR-UHFFFAOYSA-N	196.612	2.508	50	40	AFGB	
Fc1cccc2nc(CCl)oc12	38583755	WKHQFMJCRRDYDE-UHFFFAOYSA-N	185.585	2.706	50	40	AFGB	
C[C@H](Cl)C(Cl)(Cl)Cl	2031009	FEKGWIHDBVDVSM-REOHCLBHSA-N	181.877	2.984	50	40	AFGB	
CC(C)c1cnc(CCl)o1	68590620	CEIBYBZQNLYXIL-UHFFFAOYSA-N	159.616	2.537	50	40	AFGB	
COc1ccc2oc(CCl)nc2c1	15020366	RPNWQYOIWIVPTQ-UHFFFAOYSA-N	197.621	2.575	50	40	AFGB	
CC1(C)CCC(Cl)=C(C=O)C1	75563170	MINMDMBMSALMKL-UHFFFAOYSA-N	172.655	2.888	50	40	AFGB	
[C-]#[N+]Cc1ccccc1Br	104373448	USLJFUOADFXCOS-UHFFFAOYSA-N	196.047	2.868	50	40	AFGB	
C[N+](C)(C)c1ccc(N=C=S)cc1	1734881	UWDPMJLRZXNQHD-UHFFFAOYSA-N	193.295	2.618	50	40	AFGB	
CC[C@@H](C)[C@@H](C)Br	57940089	XAIYCDIAGUESKG-PHDIDXHHSA-N	165.074	2.816	50	40	AFGB	
CCC[C@H](C)CBr	2579103	GSYMWZIKZUHBKV-LURJTMIESA-N	165.074	2.818	50	40	AFGB	
N#C/C=C/Nc1ccc(Cl)cc1	3046925	PJWZNCGWLOGCEK-LREOWRDNSA-N	178.622	2.789	50	40	AFGB	
CO[Si](C)(C)C[C@@H](C)CCl	199855131	ILFZYFOFQNBVIS-ZETCQYMHSA-N	180.751	2.713	50	40	AFGB	
Fc1cc(F)c(CCl)c(F)c1F	2585560	MJAWZQXEHKHHOK-UHFFFAOYSA-N	198.546	2.982	50	40	AFGB	
O=C(Cl)c1ccnc2ccccc12	14684880	OTENSAQNLUSKHN-UHFFFAOYSA-N	191.617	2.614	50	40	AFGB	
N#Cc1ccc(N=C=S)cc1Cl	37393465	CAOBPKIQMNOCBO-UHFFFAOYSA-N	194.646	2.946	50	40	AFGB	in-vitro
C=CCC[C@H](C)Br	91366352	AIAXFFLNNULCFG-LURJTMIESA-N	163.058	2.736	50	40	AFGB	
COc1cccc2c1[C@@H]1C[C@H]2C=C1C#N	6019170	NMBDJHWLMRYGKJ-LDYMZIIASA-N	197.237	2.730	50	40	AFGB	
N#CC1=C[C@@H]2C[C@H]1c1cc(C#N)ccc12	6093968	TXACHUFKFIKJLH-BXKDBHETSA-N	192.221	2.593	50	40	AFGB	
C[C@H](Cl)Cc1ccccc1	1641405	CKWAHIDVXZGPES-QMMMGPOBSA-N	154.640	2.856	50	40	AFGB	
O=C(CCl)c1ccccc1Cl	34406197	SOGLGKRIVMZMSK-UHFFFAOYSA-N	189.041	2.762	50	40	AFGB	in-vitro
CN(C)c1ccc(CCCl)cc1	59318250	JAJYJABMCMDWHA-UHFFFAOYSA-N	183.682	2.534	50	40	AFGB	
C[C@H]1CCCCC1=C(C#N)C#N	3121831	JESJIAALSNRYGC-QMMMGPOBSA-N	160.220	2.540	50	40	AFGB	
CC[C@](Cl)(C=O)[C@H](Cl)C(C)C	1562427	MLRGUDRVGVFJIA-SFYZADRCSA-N	197.105	2.836	50	40	AFGB	
O=C(Cl)[C@H]1C[C@@H]1c1ccccc1	1639570	SODZBMGDYKEZJG-BDAKNGLRSA-N	180.634	2.556	50	40	AFGB	in-vitro
C[C@@H](Cl)C(=O)CCc1ccccc1	81166410	BCJMCSXCBGHNAM-SECBINFHSA-N	196.677	2.816	50	40	AFGB	
Cl[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@H]12	100140790	BVIVIHDQFQUFSV-MQIGXGKASA-N	168.667	2.826	50	40	AFGB	
N#C/C(=C\O)c1ccc(Cl)cc1	100019133	QDIJLSOPGGNYKA-SOFGYWHQSA-N	179.606	2.762	50	40	AFGB	
Cc1ccc([C@@H](C)C(=O)Cl)cc1	34411696	CBLJJIJBOWHEHH-MRVPVSSYSA-N	182.650	2.864	50	40	AFGB	
N#CS[C@H]1CCCC[C@H]1SC#N	104189221	XSRBJMAFLWWLFP-OCAPTIKFSA-N	198.316	2.726	50	40	AFGB	
CC(C)Oc1ccccc1C(=O)Cl	34768915	CIYMDTDRZWFTTL-UHFFFAOYSA-N	198.649	2.853	50	40	AFGB	in-vitro
ClCCCOc1ccccc1	1596318	AZXLOLRTEJEZHJ-UHFFFAOYSA-N	170.639	2.694	50	40	AFGB	
O=C/C=C/c1ccccc1Cl	21304307	HGBCDXOKFIDHNS-HWKANZROSA-N	166.607	2.552	50	40	AFGB	in-vitro
FC1(F)CC[C@@H](CBr)C1	300763049	NFEHQXLBRRUJQB-RXMQYKEDSA-N	199.038	2.817	50	40	AFGB	
ClCc1cc(-c2cccs2)n[nH]1	84122129	CTRCRHKPYJSEGH-UHFFFAOYSA-N	198.678	2.877	50	40	AFGB	
Fc1cccc(CN=C=S)c1F	218899368	JOWNOJQEVKTKPO-UHFFFAOYSA-N	185.198	2.568	50	40	AFGB	
C[C@H](Cl)CN(C)Cc1ccccc1	1634200	LVSDBWHFLHHZEH-JTQLQIEISA-N	197.709	2.746	50	40	AFGB	
C[C@@]1(C(Cl)Cl)CCCCC1=O	5004243	WXWMCAOWMRFJFP-MRVPVSSYSA-N	195.089	2.940	50	40	AFGB	
C=C(C)CCC/C(C)=C\C=O	12879029	DCFAKOWBMYCWIZ-YFHOEESVSA-N	152.237	2.878	50	40	AFGB	biogenic
Cc1ccc(NC=C(C#N)C#N)cc1C	10334641	WYIALQYIFOONBO-UHFFFAOYSA-N	197.241	2.646	50	40	AFGB	
CCCCO[P@@](C)(=O)Cl	196424033	JQAAUQJMUJWSPY-SECBINFHSA-N	170.576	2.865	50	40	AFGB	
Cc1ccc(C(=O)N=C=S)cc1C	21965116	LTLZOJBJSBOCNI-UHFFFAOYSA-N	191.255	2.546	50	40	AFGB	
ClCc1ccn(-c2ccccc2)n1	39947443	VGIYEGYNFYXGDX-UHFFFAOYSA-N	192.649	2.611	50	40	AFGB	in-vitro
C/C(=C/C#N)c1ccccc1	5411710	TZRCAFZIOSMMHX-CLFYSBASSA-N	143.189	2.613	50	40	AFGB	
CC1(C)[C@H](Cl)C1(Cl)Cl	104110609	FDGDWMVIHCXJDA-VKHMYHEASA-N	173.470	2.808	50	40	AFGB	
C[C@H](Cl)C(=O)c1cccc(F)c1	161380615	SNKKBBNCTFLZLN-LURJTMIESA-N	186.613	2.636	50	40	AFGB	
ClCCO[C@@H]1CCCC[C@@H]1Cl	5375878	IBLDSEUVWLIIBF-JGVFFNPUSA-N	197.105	2.792	50	40	AFGB	
ClCCCCCN1CCCCC1	40989977	ZFXVCQDQLDXEFS-UHFFFAOYSA-N	189.730	2.881	50	40	AFGB	in-vitro
N#CC1=C[C@H]2C[C@@H]1c1ccc(C#N)cc12	6093966	ASLVPUSXPCDIAT-ZANVPECISA-N	192.221	2.593	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@H]([C@H]1Cl)[C@@H]1CC=C[C@@H]21	100498162	YKPBRMJPNZXKRN-MHCVYJKHSA-N	197.665	2.571	50	40	AFGB	
Cc1ccc(CCl)s1	37390088	NGRMSGQTJBVIHN-UHFFFAOYSA-N	146.642	2.795	50	40	AFGB	in-vitro
Cc1ccc(N(C)C(=S)Cl)cc1	2506716	FEZXLOXGKBWRCH-UHFFFAOYSA-N	199.706	2.955	50	40	AFGB	
O=C=NCc1cccc2ccccc12	16837753	UTYQUKHNHPEPDA-UHFFFAOYSA-N	183.210	2.676	50	40	AFGB	in-vitro
CCO[Si](C)(C)CCCCl	195765767	IIFBEYQLKOBDQH-UHFFFAOYSA-N	180.751	2.857	50	40	AFGB	
FC(F)(F)[C@H]1CC[C@@H](Cl)C1	256051824	KPSAURLMVRPRSS-CRCLSJGQSA-N	172.577	2.956	50	40	AFGB	
CC1(C)/C(=C/C=O)[C@H]2CC[C@@H]1C2	33955199	CSUCBYYLYMFEFB-MSQCDERJSA-N	164.248	2.568	50	40	AFGB	
CC(C)c1cccnc1CCl	725328252	VUJLPNVRHPOMIR-UHFFFAOYSA-N	169.655	2.944	50	40	AFGB	
COc1cc(CCl)ccc1F	14989246	YCMHNQSQSFDIQQ-UHFFFAOYSA-N	174.602	2.573	50	40	AFGB	in-vitro
[C-]#[N+][C@H](C)CCc1ccccc1	95697889	XLTBPGJTGDJJMR-SNVBAGLBSA-N	159.232	2.927	50	40	AFGB	
CC(C)=C[C@H]1[C@@H](C(=O)Cl)C1(C)C	2019235	VNTCVNLNEOVBEE-YUMQZZPRSA-N	186.682	2.990	50	40	AFGB	
[C-]#[N+]C[C@H]1CC[C@@H]2C[C@H]1C2(C)C	104683561	XLYTUWMPIXOILD-OPRDCNLKSA-N	163.264	2.978	50	40	AFGB	
Cc1ccc(C)c(C=C(C#N)C#N)c1	2843498	JYQDXXLIRNDIBM-UHFFFAOYSA-N	182.226	2.734	50	40	AFGB	
N#CC1=CCC[C@@H](c2ccccc2)O1	4267450	JWRJEKCHOIUTNF-LBPRGKRZSA-N	185.226	2.946	50	40	AFGB	
Cc1c[nH]c2nccc(CCl)c12	238557825	ZCRATPLKKSYOBX-UHFFFAOYSA-N	180.638	2.610	50	40	AFGB	
NCCCCC[C@@H]1CCSS1	78920269	KSGAPUFLPGPSIQ-MRVPVSSYSA-N	191.365	2.659	50	40	AFGB	
CCOc1ccc(C(=O)Cl)cc1C	45792713	VCXBJCJWOWCSGW-UHFFFAOYSA-N	198.649	2.773	50	40	AFGB	
Fc1cc(F)c(CCCl)cc1F	104460353	JSDREAISPYKWFI-UHFFFAOYSA-N	194.583	2.885	50	40	AFGB	
O=C(Cl)C1(c2ccccc2F)CC1	11886229	ZBAMRKNKCLNXKB-UHFFFAOYSA-N	198.624	2.623	50	40	AFGB	in-vitro
O=C(Cl)[C@H]1CCCc2ccccc21	36420336	AKARIZHKZBLDNW-JTQLQIEISA-N	194.661	2.872	50	40	AFGB	
N#CC=C1CCCCCC1	43559032	BRHSPIHXPCKQSD-UHFFFAOYSA-N	135.210	2.791	50	40	AFGB	
C[C@H]1CSC[C@@H](Br)C1	72220295	DCJXBHFIAGDTJA-RITPCOANSA-N	195.125	2.523	50	40	AFGB	
Cc1ccc(OC(=O)CCCl)cc1	55124782	PCBWTBCGNNCPFD-UHFFFAOYSA-N	198.649	2.529	50	40	AFGB	
N#CC1=CN(Cc2ccccc2)C=CC1	1631269	WJNYVKCAEHASOF-UHFFFAOYSA-N	196.253	2.813	50	40	AFGB	
[N-]=[N+]=N[C@@H](C(=O)Cl)c1ccccc1	111395096	NRSMVAFUFMOXFI-SSDOTTSWSA-N	195.609	2.803	50	40	AFGB	
O=C(N=C=S)c1cccc(Cl)c1	2390100	ZUISLKTWVWIULT-UHFFFAOYSA-N	197.646	2.583	50	40	AFGB	in-vitro
CN(CCCl)C1CCCCCC1	1682054	DRJAGUMVARIJPI-UHFFFAOYSA-N	189.730	2.880	50	40	AFGB	
C[Si]1(C)CC[C@H](Br)C1	584905832	JKKLSWBMYIOINP-LURJTMIESA-N	193.160	2.862	50	40	AFGB	
CCC[C@@H](C)CBr	49954042	GSYMWZIKZUHBKV-ZCFIWIBFSA-N	165.074	2.818	50	40	AFGB	
CC(C)Nc1ccc(CCl)cn1	72225057	GJYVLYXCQIFURV-UHFFFAOYSA-N	184.670	2.641	50	40	AFGB	
OO[C@@H]1CCCc2ccccc21	95777332	YWBMNCRJFZGXJY-SNVBAGLBSA-N	164.204	2.554	50	40	AFGB	
C=C1CCCC[C@@H]1Cl	196645537	QJTPBLPEOSDKKM-ZETCQYMHSA-N	130.618	2.724	50	40	AFGB	in-vitro
Fc1cc(CCl)cc(F)c1F	2585562	ALUFGPFDDJIQCW-UHFFFAOYSA-N	180.556	2.843	50	40	AFGB	
Fc1ccc2oc(CCl)nc2c1	38434490	WIXMKUSKZDRJAW-UHFFFAOYSA-N	185.585	2.706	50	40	AFGB	
CC(=C(C#N)C#N)c1ccc(F)cc1	1625450	BTHFBDPPRQIWGQ-UHFFFAOYSA-N	186.189	2.646	50	40	AFGB	
CCCO[Si](C)(C)OCCC	195784644	ZIDTUTFKRRXWTK-UHFFFAOYSA-N	176.332	2.541	50	40	AFGB	
CC(C)c1nc(CCl)co1	4198793	OPCOPSQQXAHCMD-UHFFFAOYSA-N	159.616	2.537	50	40	AFGB	in-vitro
FC(F)(Cl)C(Cl)Cl	59782394	FQAMAOOEZDRHHB-UHFFFAOYSA-N	169.385	2.622	50	40	AFGB	
COc1ccc(F)c(CCl)c1	14989241	GLHVGEFEOAJQCI-UHFFFAOYSA-N	174.602	2.573	50	40	AFGB	
CCP(=O)(Cl)CC	100011398	KGENPKAWPRUNIG-UHFFFAOYSA-N	140.550	2.543	50	40	AFGB	
COc1cccc([C@H](C)N=C=S)c1	2548034	VLULNKVRCHBYJM-QMMMGPOBSA-N	193.271	2.859	50	40	AFGB	
C[C@H]1CCCC[C@H]1OCCCl	32628013	QVPLQHPIDIZPJB-DTWKUNHWSA-N	176.687	2.821	50	40	AFGB	in-vitro
C[C@@H](Cl)OC(=O)OC(C)(C)C	34088513	KDXWFUGPHWFKSZ-YFKPBYRVSA-N	180.631	2.523	50	40	AFGB	
CCc1ccc(CCl)cc1	2003998	DUBCVXSYZVTCOC-UHFFFAOYSA-N	154.640	2.988	50	40	AFGB	
CNC[C@H](C)[C@H](Cl)c1ccccc1	1614507	RQIXDSAGGOMBSS-ONGXEEELSA-N	197.709	2.822	50	40	AFGB	
CCOc1cc(C)c(CCl)cn1	72223121	QEBYEBDAIIRSNW-UHFFFAOYSA-N	185.654	2.528	50	40	AFGB	
C/C=C(\C)CC/C(C)=C/C=O	2559077	PEAPMUZNABIRAP-SXFWLWNESA-N	152.237	2.878	50	40	AFGB	
Cc1cccc(C#CCCl)c1C	53327686	OVVMMRAUEAAUIK-UHFFFAOYSA-N	178.662	2.894	50	40	AFGB	
F[C@H](Cl)c1ccccc1	71621388	DFBOAQFUHCAEAE-ZETCQYMHSA-N	144.576	2.894	50	40	AFGB	
N#CCCOP(Cl)Cl	72399619	ZSJQVOIPLQDHCE-UHFFFAOYSA-N	171.951	2.621	50	40	AFGB	in-vitro
CSc1ccc(C(=O)Cl)s1	39056956	CURVZWVYJDZXOE-UHFFFAOYSA-N	192.692	2.849	50	40	AFGB	
[C-]#[N+]Cc1ccc(C[N+]#[C-])cc1	104405703	PUQNAXJFMTUAPI-UHFFFAOYSA-N	156.188	2.525	50	40	AFGB	
CC(C)CCCCC(=O)Cl	14591951	WNWVCOXFUHCXJQ-UHFFFAOYSA-N	162.660	2.968	50	40	AFGB	
N#CSc1c[nH]c2ccccc12	1728128	UUVFLDAVBAEABK-UHFFFAOYSA-N	174.228	2.741	50	40	AFGB	
O=C(CCl)CCCc1ccccc1	39240852	IFRMRRXXJMQATO-UHFFFAOYSA-N	196.677	2.817	50	40	AFGB	
C[C@H](Cl)c1ccc2c(c1)CCO2	40269235	IRPPUNZSSRZJTF-ZETCQYMHSA-N	182.650	2.921	50	40	AFGB	
COc1ccccc1C(=O)[C@@H](C)Cl	32009673	GNOXRRVFXLGKBJ-SSDOTTSWSA-N	198.649	2.505	50	40	AFGB	
CCCCCCC[C@H](O)CCl	139846376	PJVOTDCNXPBTJP-VIFPVBQESA-N	178.703	2.947	50	40	AFGB	
O=C(CCCCl)Nc1ccccc1	9267446	GJMGKNWSRKDALN-UHFFFAOYSA-N	197.665	2.644	50	40	AFGB	
C[C@@H](Cl)C(=O)c1cccs1	19278669	YBJIAOWXOCYNOV-RXMQYKEDSA-N	174.652	2.558	50	40	AFGB	
COc1cccc2c1[C@@H]1C[C@@H]2C=C1C#N	100941015	NMBDJHWLMRYGKJ-GZMMTYOYSA-N	197.237	2.730	50	40	AFGB	
C[C@H](N=C=S)c1ccc(F)cc1	2390101	JXMBAXGHCKMDES-ZETCQYMHSA-N	181.235	2.990	50	40	AFGB	in-vitro
Cc1ccc(C(=O)[C@H](C)Cl)s1	19388617	HXHBYRDMOIVTGL-LURJTMIESA-N	188.679	2.867	50	40	AFGB	
O=C/C=C(\Cl)c1ccc(F)cc1	165120	PMRMSGNJEJXYGD-UITAMQMPSA-N	184.597	2.604	50	40	AFGB	
CC1=C(c2ccccc2)[C@@H](Cl)C1=O	336278	KCZORHJIKJSKPH-SNVBAGLBSA-N	192.645	2.650	50	40	AFGB	
ClC[C@@H](Cl)[C@H](Cl)CCl	1757812	IXZVKECRTHXEEW-QWWZWVQMSA-N	195.904	2.679	50	40	AFGB	
C[C@H](C(=O)O)c1ccc(CCl)cc1	34469823	KIFZXXOBDKAFPG-ZETCQYMHSA-N	198.649	2.614	50	40	AFGB	
ClCCC(Cl)(Cl)Cl	2039986	UTACNSITJSJFHA-UHFFFAOYSA-N	181.877	2.986	50	40	AFGB	
O=C(CCl)c1ccc(Cl)s1	5582507	JRHBEDSUTAGRQV-UHFFFAOYSA-N	195.070	2.823	50	40	AFGB	in-vitro
Cc1ccc([C@@H](C)N=C=S)o1	49216809	HPDMKEZUCPTMBS-SSDOTTSWSA-N	167.233	2.752	50	40	AFGB	
CC(C)c1ccccc1OO	59356508	CZNJIWCDRJWKLG-UHFFFAOYSA-N	152.193	2.662	50	40	AFGB	
N#CCCCCCCCl	2579165	FXBITRHTKQZLRX-UHFFFAOYSA-N	145.633	2.699	50	40	AFGB	
BrC[C@@H]1C[C@@H]2C=C[C@@H]1C2	100012966	XCDJEPZLSGMJSM-PRJMDXOYSA-N	187.080	2.594	50	40	AFGB	
C[C@H](Cl)C[C@H](C)Cl	2031647	DYGOBGYJRRKFEN-WHFBIAKZSA-N	141.041	2.631	50	40	AFGB	
CC[C@@](Cl)(C=O)[C@@H](Cl)C(C)C	1562428	MLRGUDRVGVFJIA-JGVFFNPUSA-N	197.105	2.836	50	40	AFGB	
Fc1cc(F)c(CCl)c(F)c1	1706161	FRFNHABGFLDQOU-UHFFFAOYSA-N	180.556	2.843	50	40	AFGB	
C[C@H](Cl)[Si](C)(C)c1ccccc1	195767475	ZRRIFLWTPREPSA-SECBINFHSA-N	198.769	2.769	50	40	AFGB	
CCCNc1ncc(CCl)cc1C	72222162	QWFPWWNQAQLFAE-UHFFFAOYSA-N	198.697	2.951	50	40	AFGB	
CCOc1ccc(C(=O)Cl)c(C)c1	83179467	HQQUXKQQLGENHI-UHFFFAOYSA-N	198.649	2.773	50	40	AFGB	
N#Cc1ccc2cc(CCl)[nH]c2c1	33961641	MBKIQLOOKOYXGH-UHFFFAOYSA-N	190.633	2.778	50	40	AFGB	
COc1ccc2c(c1)/C(=C\C#N)CC2	36448335	JGYYQCFIZIIWLL-POHAHGRESA-N	185.226	2.548	50	40	AFGB	in-vitro
CCN(CC)CCCCCCl	39255146	PZUZOPPMNXFYFI-UHFFFAOYSA-N	177.719	2.737	50	40	AFGB	
ClCC#Cc1ccc(Cl)cc1	57840945	OJWYJCGHBRRDNW-UHFFFAOYSA-N	185.053	2.930	50	40	AFGB	
C/C(=C/C#N)Nc1ccc(C)cc1	5926403	MXGCDIXMECMJKU-YFHOEESVSA-N	172.231	2.834	50	40	AFGB	
C[Si]1(C)CC[C@@H](Cl)C1	238460153	GJHGJSWZAQWZNR-ZCFIWIBFSA-N	148.709	2.706	50	40	AFGB	
C[C@@H](Cl)C(=O)c1cccc(F)c1	161380742	SNKKBBNCTFLZLN-ZCFIWIBFSA-N	186.613	2.636	50	40	AFGB	
CC[C@@H](C)NCCCCCCl	1687477	MGWUQLDCMDAYKI-SECBINFHSA-N	177.719	2.784	50	40	AFGB	
CC[C@H]1CC=C(C#N)CC1	57211714	QINNUVWYMDPAJA-QMMMGPOBSA-N	135.210	2.646	50	40	AFGB	in-vitro
ClCc1ccc(CCl)nc1	168679218	OMOWJNFBJPIHDM-UHFFFAOYSA-N	176.046	2.559	50	40	AFGB	in-vitro
CCOc1ccnc(CCl)c1C	34414197	WSRRUXXIEPINSJ-UHFFFAOYSA-N	185.654	2.528	50	40	AFGB	
C[C@@H](Cl)CCCC(=O)Cl	88613819	XOMSOSIRNGNUSH-RXMQYKEDSA-N	169.051	2.549	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@@H]([C@H]3CCC[C@@H]32)[C@H]1Cl	104094248	IPDOFRJNRBVHSE-UCKHGQTESA-N	199.681	2.795	50	40	AFGB	
C[C@@H]1CCCC[C@H]1N=C=S	4200475	PZMGXEOAUNVRIR-HTQZYQBOSA-N	155.266	2.668	50	40	AFGB	in-vitro
Cc1cc(F)cc(C(=O)CCl)c1	95916988	SYKPONWGWARGKJ-UHFFFAOYSA-N	186.613	2.556	50	40	AFGB	
Cl[C@@H]1C[C@H]2C[C@H]1[C@@H]1C=CC[C@@H]12	100140793	BVIVIHDQFQUFSV-GRDBIXFFSA-N	168.667	2.826	50	40	AFGB	
F[C@@H](Cl)c1ccccc1	2510714	DFBOAQFUHCAEAE-SSDOTTSWSA-N	144.576	2.894	50	40	AFGB	
N#CC1=C[C@H]2C[C@@H]1c1cc(C#N)ccc12	6093971	TXACHUFKFIKJLH-CABZTGNLSA-N	192.221	2.593	50	40	AFGB	
O=C(Cl)c1cc2c(s1)CCC2	8730124	FSHSZEHNJRQELP-UHFFFAOYSA-N	186.663	2.616	50	40	AFGB	in-vitro
FC(F)c1occc1CCl	217645212	UOHHSSATYRJKQS-UHFFFAOYSA-N	166.554	2.956	50	40	AFGB	
CC(C)C[C@@H](C)Br	2584457	IUXIOXCOPJFKMQ-ZCFIWIBFSA-N	165.074	2.816	50	40	AFGB	
CC[C@H](C)NCCCCCCl	6412295	MGWUQLDCMDAYKI-VIFPVBQESA-N	177.719	2.784	50	40	AFGB	
CC[C@@H](C)SCCCl	1676723	SZWKDLZVWXCJGZ-ZCFIWIBFSA-N	152.690	2.757	50	40	AFGB	
ClCc1ncc(-c2ccco2)o1	72207569	UFFBAHSPADXFHG-UHFFFAOYSA-N	183.594	2.673	50	40	AFGB	
CCn1c(C)cc(C=C(C#N)C#N)c1C	306435739	FKRBXPUXFTTZMW-UHFFFAOYSA-N	199.257	2.555	50	40	AFGB	
ClCC1Cc2ccccc2C1	78676599	WDRUXGAWJCQHPY-UHFFFAOYSA-N	166.651	2.640	50	40	AFGB	
Cc1ccc2c(c1)CC(C=O)=C2Cl	72171770	YDTXUJPAYVHHJO-UHFFFAOYSA-N	192.645	2.700	50	40	AFGB	
Cc1ccc(OCCC(=O)Cl)cc1	33432944	LRWNRRBFHFWMCY-UHFFFAOYSA-N	198.649	2.529	50	40	AFGB	
C/C(=C\C#N)c1ccccc1	5085512	TZRCAFZIOSMMHX-VQHVLOKHSA-N	143.189	2.613	50	40	AFGB	in-vitro
CCC1CC(CBr)C1	85393056	IXCXVKXFPKRGDE-UHFFFAOYSA-N	177.085	2.818	50	40	AFGB	
N#C/C=C(\Cl)c1cccnc1Cl	96530018	LCFADRBYAFQOLM-CLTKARDFSA-N	199.040	2.838	50	40	AFGB	
N#C[C@@H](Cl)c1cccc(F)c1	45626753	DDAATIQWKOGKRI-MRVPVSSYSA-N	169.586	2.629	50	40	AFGB	
Cc1cc(CCl)ccc1F	49778416	SDAPHOYTPICABO-UHFFFAOYSA-N	158.603	2.873	50	40	AFGB	
ClC[C@H](Cl)[C@H](Cl)CCl	95831686	IXZVKECRTHXEEW-ZXZARUISSA-N	195.904	2.679	50	40	AFGB	
FCCOc1cccc(CCl)c1	34082795	PUMQHUWHGBQCNO-UHFFFAOYSA-N	188.629	2.774	50	40	AFGB	
Cc1cc(F)ccc1CCl	50580297	BQQAXQSWBZWPAQ-UHFFFAOYSA-N	158.603	2.873	50	40	AFGB	in-vitro
CC1(C)CC(=C(C#N)C#N)CCS1	4795674	PLMCFEWYJYJFEI-UHFFFAOYSA-N	192.287	2.636	50	40	AFGB	
O=C(CCCl)c1cccc(F)c1	43210691	SOMLWYGQLWEMCT-UHFFFAOYSA-N	186.613	2.637	50	40	AFGB	
CC(=O)c1ccc(CCCl)cc1	167792	RGVUACHOYCYNMB-UHFFFAOYSA-N	182.650	2.671	50	40	AFGB	in-vitro
CCc1ccc(OC)c(C(=O)Cl)c1	45792755	ZJHZZUPXEPEBAN-UHFFFAOYSA-N	198.649	2.637	50	40	AFGB	
O=C(CCl)c1sccc1Cl	87620775	ZTDGLHLVCVWTRQ-UHFFFAOYSA-N	195.070	2.823	50	40	AFGB	
OOCCC/C=C\c1ccccc1	100534479	MQSMIOKTOYAPHO-UITAMQMPSA-N	178.231	2.970	50	40	AFGB	
C/C=C\CCCCl	72099232	SJHDJTNQXRYLLN-IHWYPQMZSA-N	118.607	2.582	50	40	AFGB	
FC(F)(F)[C@@H]1CC[C@@H](Cl)C1	256051825	KPSAURLMVRPRSS-RFZPGFLSSA-N	172.577	2.956	50	40	AFGB	
C[C@@H](Br)c1ccncc1	34463162	SHGPTRHMCXOWFV-ZCFIWIBFSA-N	186.052	2.538	50	40	AFGB	in-vitro
CC(C)C[C@H](C)Cl	57332807	WIMBRKMSNRCNMP-LURJTMIESA-N	120.623	2.660	50	40	AFGB	
O=CC1=C(Cl)c2c(F)cccc2C1	1857793565	PYBLKJLTRBVQLI-UHFFFAOYSA-N	196.608	2.531	50	40	AFGB	
FC(F)(F)C(Cl)C(F)(F)F	63148420	BKWAVXQSZLEURV-UHFFFAOYSA-N	186.482	2.718	50	40	AFGB	in-vitro
CC[C@@H](Cl)[C@@H](C)Cl	2389898	HVFJQRZGBBKTPL-RFZPGFLSSA-N	141.041	2.631	50	40	AFGB	
N#CC1=CCC[C@H](c2ccccc2)O1	4267451	JWRJEKCHOIUTNF-GFCCVEGCSA-N	185.226	2.946	50	40	AFGB	
Cc1cc(CCl)c[nH]c1=S	72225846	SPJLWCIEKKWYRV-UHFFFAOYSA-N	173.668	2.791	50	40	AFGB	
CC(C)N(COPCl)C(C)C	78014756	CXLVBVPYZYXEFY-UHFFFAOYSA-N	197.646	2.827	50	40	AFGB	
Cc1c(F)cccc1CCl	149290328	SEMWNEYJOCWBSP-UHFFFAOYSA-N	158.603	2.873	50	40	AFGB	
CCN(CC)P(=O)(Cl)Cl	100011026	FXKRFCBTXGJQPY-UHFFFAOYSA-N	190.010	2.914	50	40	AFGB	
Cc1cc(N=C=S)cc(C)c1O	336176	HQVDBPQLWWTOKC-UHFFFAOYSA-N	179.244	2.743	50	40	AFGB	
CC/C(C=O)=C\c1cccc(C)c1	49805167	OYBUAUARFGTIRF-DHZHZOJOSA-N	174.243	2.987	50	40	AFGB	
CCCNc1ccc(CCl)c(C)n1	72224241	IONMGHQOTUVQKL-UHFFFAOYSA-N	198.697	2.951	50	40	AFGB	
O=P(Cl)(Cl)CCCl	95670990	LOUZURPQCYZSJH-UHFFFAOYSA-N	181.386	2.896	50	40	AFGB	
Fc1cnc(Cl)cc1CCl	95761906	QFQIXNOJGQCCPS-UHFFFAOYSA-N	180.009	2.613	50	40	AFGB	
C[C@H]1CSC[C@H](Br)C1	72220297	DCJXBHFIAGDTJA-PHDIDXHHSA-N	195.125	2.523	50	40	AFGB	
Cc1ccccc1C(=O)CCCl	2514104	TVHBMGLNQYHPBK-UHFFFAOYSA-N	182.650	2.807	50	40	AFGB	
CC(C)[C@@H]1CC=C(C=O)CC1	5442669	AEVLWICMAHGAMS-SNVBAGLBSA-N	152.237	2.568	50	40	AFGB	endogenous,in-man
CC(C)[C@H]1CC=C(C=O)CC1	5442571	AEVLWICMAHGAMS-JTQLQIEISA-N	152.237	2.568	50	40	AFGB	endogenous,in-man
Cc1cc(CCl)ccc1C#N	220581596	GXEWCDJCZFWAKE-UHFFFAOYSA-N	165.623	2.606	50	40	AFGB	
Cc1ccc(N=C=S)c(Cl)n1	85347556	HPNYYWNZDHENPE-UHFFFAOYSA-N	184.651	2.778	50	40	AFGB	
CCCCNP(=O)(Cl)Cl	59595687	AUYLTLFJIZSMKG-UHFFFAOYSA-N	190.010	2.962	50	40	AFGB	in-vitro
CCCC[P@@](=O)(Cl)OC	147648131	JBYPKYIHXQOHGO-VIFPVBQESA-N	170.576	2.865	50	40	AFGB	
CC[C@@H](C)[C@@H](C)Cl	57940079	JPFZKJQZKBEPGQ-PHDIDXHHSA-N	120.623	2.660	50	40	AFGB	
[C-]#[N+]Cc1cc(C)ccc1C	95698173	UUBVUJPUKXSUCA-UHFFFAOYSA-N	145.205	2.723	50	40	AFGB	
COc1cc2ccccc2cc1N=C=O	1668621	WWZVSLPTUVBJAH-UHFFFAOYSA-N	199.209	2.816	50	40	AFGB	
O[C@@H]1C[C@@H]2CCCC[C@@H]2C[C@@H]1Cl	5432324	NRGPCFYRZKKZSX-XFWSIPNHSA-N	188.698	2.555	50	40	AFGB	
ClCCCOC1CCCCC1	19414276	XUPYLBDRWQBBOC-UHFFFAOYSA-N	176.687	2.965	50	40	AFGB	in-vitro
ClCc1ccc2c(c1)CCCO2	38058302	HGSXBPREDQHYBB-UHFFFAOYSA-N	182.650	2.750	50	40	AFGB	
O=N[C@H]1[C@H]2C[C@@H]([C@H]3CCC[C@H]32)[C@H]1Cl	104094246	IPDOFRJNRBVHSE-WBBBMGQGSA-N	199.681	2.795	50	40	AFGB	
CC(C)SCCBr	37684829	FPCKRLDKFDUFLL-UHFFFAOYSA-N	183.114	2.523	50	40	AFGB	
[C-]#[N+]Cc1ccc(Cl)cc1F	95698289	GNDCANIJQCPNAU-UHFFFAOYSA-N	169.586	2.898	50	40	AFGB	
FC(F)c1ccc(CCl)nc1	95763679	DHEDTZBTZVPBHW-UHFFFAOYSA-N	177.581	2.758	50	40	AFGB	
Cc1cccc(OC(=O)Cl)c1	2582037	JXYLZACPFSDBPR-UHFFFAOYSA-N	170.595	2.733	50	40	AFGB	in-vitro
N#CC(C#N)=Cc1sccc1Cl	165860	MEGKBXXQCQVBAI-UHFFFAOYSA-N	194.646	2.832	50	40	AFGB	
Cl[C@H]1CCCC[C@@H]1[n+]1ccccc1	5583171	INGPXRYDWKQISX-QWRGUYRKSA-N	196.701	2.697	50	40	AFGB	
COc1ccc(Cl)cc1/C=C\C=O	17424372	MKXWDSWKCXNLRG-IHWYPQMZSA-N	196.633	2.561	50	40	AFGB	
BrC[C@@H]1C[C@H]2C=C[C@@H]1C2	71789882	XCDJEPZLSGMJSM-RNJXMRFFSA-N	187.080	2.594	50	40	AFGB	
[C-]#[N+]CCCCCCC[N+]#[C-]	104406079	SRFNWNVJHILTTG-UHFFFAOYSA-N	150.225	2.775	50	40	AFGB	
Cc1ccc(CCC(=O)Cl)cc1	33432763	QXOVXYKNXDTLTR-UHFFFAOYSA-N	182.650	2.693	50	40	AFGB	
CCCCCCCOC(=O)CCl	100076856	JUFPTDUONWPUBM-UHFFFAOYSA-N	192.686	2.739	50	40	AFGB	
N#CC1=C[C@@H]2C[C@@H]1c1ccc(C#N)cc12	100941034	ASLVPUSXPCDIAT-RNCFNFMXSA-N	192.221	2.593	50	40	AFGB	
CCn1cc(N=C=O)c2ccccc21	19723539	FODZVVNTPLQEKX-UHFFFAOYSA-N	186.214	2.629	50	40	AFGB	
CCc1cc(N)cc(C)c1SC#N	45889535	RCIWSJNJBYRIHF-UHFFFAOYSA-N	192.287	2.713	50	40	AFGB	
COc1cccc(C(C)=C(C#N)C#N)c1	1690856	KSTYFPHNAZISJF-UHFFFAOYSA-N	198.225	2.516	50	40	AFGB	
FC(F)(F)c1cnccc1CCl	95761902	DEJPAWIQXGNIPJ-UHFFFAOYSA-N	195.571	2.839	50	40	AFGB	
Cc1cc(N=C=O)c(C(F)(F)F)o1	158509	WTKWFNIIIXNTDO-UHFFFAOYSA-N	191.108	2.574	50	40	AFGB	in-vitro
Cc1cc(C(=O)CCl)c(C)s1	42569	JHVAHFKUIQIYAI-UHFFFAOYSA-N	188.679	2.786	50	40	AFGB	in-vitro
O=C(CCl)CC1CCCCC1	83141936	BBAFQOXCBXIWDE-UHFFFAOYSA-N	174.671	2.765	50	40	AFGB	
CCCCC[C@H](C)OC(=O)CCl	36372750	GKOMRSJNZZXVMU-QMMMGPOBSA-N	192.686	2.737	50	40	AFGB	
C[Si](C)(C)O/C=C1/CCCCC1=O	195751913	KUWISAFKUKBJFU-HJWRWDBZSA-N	198.338	2.865	50	40	AFGB	
COc1ccccc1/C(Cl)=C/C#N	36929161	IUJQARPKZVUQJL-TWGQIWQCSA-N	193.633	2.798	50	40	AFGB	
Br[C@@H]1C[C@H]2CC[C@H]1C2	100097548	QXYOAWHKJRWNID-LYFYHCNISA-N	175.069	2.570	50	40	AFGB	in-vitro
CCCCCCC[C@@H](O)CCl	139846510	PJVOTDCNXPBTJP-SECBINFHSA-N	178.703	2.947	50	40	AFGB	
ClP(Cl)[c-]1cccc1	100796939	ADNMYPISMIKTIL-UHFFFAOYSA-N	165.967	2.820	50	40	AFGB	
CCCCOC(F)(F)[C@H](F)Cl	96395149	RAIRJHMHXFZQEO-YFKPBYRVSA-N	190.592	2.930	50	40	AFGB	
FC1(F)CCC[C@@H]1Br	1775956513	IEWCFLWXTCDJCR-BYPYZUCNSA-N	185.011	2.569	50	40	AFGB	
O=C(Cl)c1cccc2cc[nH]c12	98213513	ZFKVWTXXFZGHBR-UHFFFAOYSA-N	179.606	2.547	50	40	AFGB	
ClCCc1ccc2cc[nH]c2c1	85210675	BNTLHZBOFSMIES-UHFFFAOYSA-N	179.650	2.949	50	40	AFGB	
OC/C=C\S(F)(F)(F)(F)F	100525424	MGHHQQCFLJIKOP-IWQZZHSRSA-N	184.129	2.791	50	40	AFGB	
CC[C@H]1CCC(Cl)=C(C=O)C1	36928099	QYNMXCGOBRQCJE-ZETCQYMHSA-N	172.655	2.888	50	40	AFGB	
FC(F)(F)c1cncc(CCl)c1	95642383	FNFXQMYVQISKRZ-UHFFFAOYSA-N	195.571	2.839	50	40	AFGB	
N#C/C(=C/O)c1ccc(Cl)cc1	100026010	QDIJLSOPGGNYKA-VURMDHGXSA-N	179.606	2.762	50	40	AFGB	
CC[Si](CC)(CC)OC(C)=O	195764869	AAURKQPZJJMXER-UHFFFAOYSA-N	174.316	2.555	50	40	AFGB	
C/C(=C/C#N)CC(C)C	4748349	KMZKRGSNSZTFDC-YWEYNIOJSA-N	123.199	2.502	50	40	AFGB	
Br[C@H]1C[C@@H]2CC[C@@H]1C2	100057967	QXYOAWHKJRWNID-QYNIQEEDSA-N	175.069	2.570	50	40	AFGB	
C=CCOc1cccc(C(=O)Cl)c1	39057086	JVBQBOPBWGDPFV-UHFFFAOYSA-N	196.633	2.630	50	40	AFGB	
O=C(Cl)c1cccc2[nH]ccc12	44564036	OPERBFXUPNMNCS-UHFFFAOYSA-N	179.606	2.547	50	40	AFGB	
[C-]#[N+]Cc1cc(C)cc(C)c1	95698172	IIAQJRAMUBZCRD-UHFFFAOYSA-N	145.205	2.723	50	40	AFGB	
O=C(Cl)c1ccc2cc[nH]c2c1	45787511	ASPUVXAGGCKFAO-UHFFFAOYSA-N	179.606	2.547	50	40	AFGB	in-vitro
F/C(Cl)=C\C(Cl)Cl	100475813	YYDPDTHRBQYLSK-IWQZZHSRSA-N	163.406	2.840	50	40	AFGB	
C[C@@H](Cl)c1nc(-c2ccco2)no1	20281089	POHJBSGNXADHRQ-RXMQYKEDSA-N	198.609	2.629	50	40	AFGB	in-vitro
Cc1cc2cc(CCl)cnc2[nH]1	238507057	DHZRHYGRNOIPHV-UHFFFAOYSA-N	180.638	2.610	50	40	AFGB	
FC(F)(F)c1cccnc1CCl	91306629	MLBLYZSXWKRUBU-UHFFFAOYSA-N	195.571	2.839	50	40	AFGB	in-vitro
CC1(C)/C(=C/C=O)[C@H]2CC[C@H]1C2	105585096	CSUCBYYLYMFEFB-YZSFECFPSA-N	164.248	2.568	50	40	AFGB	
Cc1ccccc1/C=C\C(=O)Cl	33369489	ISMYAVWQKWXKOM-SREVYHEPSA-N	180.634	2.774	50	40	AFGB	
CC[C@@H]1CCC(Cl)=C(C=O)C1	36928098	QYNMXCGOBRQCJE-SSDOTTSWSA-N	172.655	2.888	50	40	AFGB	
CC1=CCCC[C@H]1Br	104152256	SWPQJEUVZUTALE-SSDOTTSWSA-N	175.069	2.880	50	40	AFGB	
O=C(Cl)c1ccc2[nH]ccc2c1	45787515	DJQIAZZRZXXUEB-UHFFFAOYSA-N	179.606	2.547	50	40	AFGB	in-vitro
CC(C)(C)CC(=O)O[Si](C)(C)C	195751490	SNWZEHDUHRRRJL-UHFFFAOYSA-N	188.343	2.801	50	40	AFGB	
C/C(C=O)=C/c1cc(Cl)ccc1O	569350	BHOJOPIJARRCBE-DAXSKMNVSA-N	196.633	2.648	50	40	AFGB	
COc1ccc([C@H](C)Cl)cc1	32006594	ZVBHVYBULNCPQB-ZETCQYMHSA-N	170.639	2.995	50	40	AFGB	in-vitro
Cc1ccsc1C(=O)[C@H](C)Cl	42728507	RXTAZVQDRISXKW-LURJTMIESA-N	188.679	2.867	50	40	AFGB	
N#C/C=C(\Cl)c1cccc(F)c1	36929159	SKCYOZPXZHBKBL-WTKPLQERSA-N	181.597	2.929	50	40	AFGB	
CC[C@H](C)OC(=O)OCCCCl	1083809177	SVSWTFIOTLLFNN-ZETCQYMHSA-N	194.658	2.567	50	40	AFGB	
O=C1N=N[C@H](Cl)c2ccccc21	4901037	KJFRLLMCLLUBBK-ZETCQYMHSA-N	180.594	2.530	50	40	AFGB	
C[C@@H](Cl)c1ccccc1	2031484	GTLWADFFABIGAE-SSDOTTSWSA-N	140.613	2.986	50	40	AFGB	
C[C@H](Cl)c1nc(C(C)(C)C)no1	12769386	MOJSUKJPSSEAOZ-YFKPBYRVSA-N	188.658	2.667	50	40	AFGB	in-vitro
Cc1c(F)cccc1C(=O)Cl	2381646	OIDAXOKENZZBPF-UHFFFAOYSA-N	172.586	2.513	50	40	AFGB	
CCCC#CCCCCl	2390297	JLMMBXPBVPCUJA-UHFFFAOYSA-N	144.645	2.809	50	40	AFGB	
O=C(Cl)C[C@H](Cl)C1CCCC1	49582053	YACGLVWJVFOXAO-ZETCQYMHSA-N	195.089	2.940	50	40	AFGB	
N#CC1=C[C@H]2C[C@@H]1c1cccc(C#N)c12	6092234	FKQQTMCKMQUPSN-CABZTGNLSA-N	192.221	2.593	50	40	AFGB	
CCOC(=O)C(C)(C)CCCCl	34546021	JSDXRSMEHQICCL-UHFFFAOYSA-N	192.686	2.595	50	40	AFGB	
CCC[C@H](Cl)[C@@]1(CC)CO1	4429421	BFRSUXMNGMFKCP-JGVFFNPUSA-N	162.660	2.573	50	40	AFGB	
Cc1cccc(C(=O)CCCl)c1O	2028888	KEBCUEMBOQNVSE-UHFFFAOYSA-N	198.649	2.512	50	40	AFGB	
O=C(Cl)c1cc2ccccc2[nH]1	22011047	GUMVEYKDOAQLGN-UHFFFAOYSA-N	179.606	2.547	50	40	AFGB	
BrC1C[C@H]2CC[C@@H](C1)C2	144463531	UQEMCUFBIHKAEI-DHBOJHSNSA-N	189.096	2.960	50	40	AFGB	
Br[C@H]1C[C@@H]1c1ccccc1	2008381	IITYLOQJUHFLPM-BDAKNGLRSA-N	197.075	2.937	50	40	AFGB	in-vitro
Cc1ccc(SSCCN)cc1	1579482	DWWVFFBDYWJSGK-UHFFFAOYSA-N	199.344	2.694	50	40	AFGB	
Cc1cccc(OCCCl)c1	8391730	OIZMZUUFHOZQIT-UHFFFAOYSA-N	170.639	2.613	50	40	AFGB	
CCCCCCCC(=O)NN=C(C)C	100840650	IYWAPFQFYHKJSS-UHFFFAOYSA-N	198.310	2.859	50	40	AFGB	
N#Cc1cccc(OCCCCl)c1	19406660	GIXDBNKGYVVAHG-UHFFFAOYSA-N	195.649	2.566	50	40	AFGB	
CCCN1CCCC[C@@H]1CCCl	71059601	MXCOSVZSWNSLBE-SNVBAGLBSA-N	189.730	2.880	50	40	AFGB	
O=C/C=C/C=C/c1cccc(F)c1	72226049	FJLSJEJDJWPRLO-MGBLWKCQSA-N	176.190	2.594	50	40	AFGB	
CC(C)CCC1=NO[C@H](CCl)C1	217845655	YRUMWHIXGZOPPE-VIFPVBQESA-N	189.686	2.806	50	40	AFGB	
FC(F)[C@@H](Cl)C(Cl)Cl	627280118	VAUVJYPXWMLEFJ-SFOWXEAESA-N	183.412	2.663	50	40	AFGB	
Cc1cccc(/C=C/C(=O)Cl)c1	2574172	YOBPHWLIGRZJAK-AATRIKPKSA-N	180.634	2.774	50	40	AFGB	
Cc1ccc([C@@H](Cl)C#N)cc1	45626848	XUXSNLBYINVXGI-VIFPVBQESA-N	165.623	2.799	50	40	AFGB	
ClCCCc1nc2ccccc2[nH]1	13284905	VDXWVKUSGCEVES-UHFFFAOYSA-N	194.665	2.734	50	40	AFGB	in-vitro
C[C@H](Cl)C(=O)c1ccccc1F	96373345	CESWXWJWPPNAPM-LURJTMIESA-N	186.613	2.636	50	40	AFGB	
CC/C(C)=N/O[Si](C)(C)C	197427552	SEAFDZSFYYHNDU-BQYQJAHWSA-N	159.305	2.624	50	40	AFGB	
Cc1cc(C)c([C@H](O)CCl)cc1C	12506222	MMFBECABNPXRGF-LLVKDONJSA-N	198.693	2.884	50	40	AFGB	
COc1ccc(C/C(C)=C/C#N)cc1	70820415	BWWRTYVDJUFGMI-JXMROGBWSA-N	187.242	2.708	50	40	AFGB	in-vitro
CC(C)=C[C@@H]1[C@H](C(=O)Cl)C1(C)C	2019238	VNTCVNLNEOVBEE-HTQZYQBOSA-N	186.682	2.990	50	40	AFGB	
CC[C@@H](Oc1ccccc1)C(=O)Cl	2510111	CMWPBGIBHBCVSW-SECBINFHSA-N	198.649	2.609	50	40	AFGB	in-vitro
CC(C)(C)C(F)(F)CCl	585681209	ZRNLIZVLPUGKSC-UHFFFAOYSA-N	156.603	2.907	50	40	AFGB	
C=CCSSCC	32163213	DJLRNCWMAKPXJF-UHFFFAOYSA-N	134.269	2.574	50	40	AFGB	
CC[Si](C)(CCl)CCl	195760893	HSCKDHJJQDIZQO-UHFFFAOYSA-N	171.143	2.641	50	40	AFGB	
Cc1ccc(CCN=C=S)cc1	2508123	GLZKGBMKYHSHAI-UHFFFAOYSA-N	177.272	2.640	50	40	AFGB	in-vitro
C[C@H](Cl)CCCCl	100371749	IJZUPZAYWWVHIO-YFKPBYRVSA-N	141.041	2.633	50	40	AFGB	in-vitro
C[C@@H]1CCCC[C@@H]1OCCCl	32628005	QVPLQHPIDIZPJB-BDAKNGLRSA-N	176.687	2.821	50	40	AFGB	in-vitro
OO[C@H]1CCCc2ccccc21	95777331	YWBMNCRJFZGXJY-JTQLQIEISA-N	164.204	2.554	50	40	AFGB	
O=C(Cl)C[C@@H]1C[C@H]2CC[C@H]1C2	238855612	SGEBCUSJUMCJGH-FXQIFTODSA-N	172.655	2.578	50	40	AFGB	in-vitro
FCCCCCCBr	2040707	CNCUKGDUDOASDV-UHFFFAOYSA-N	183.064	2.911	50	40	AFGB	
CC1=C(C(=O)Cl)Cc2ccccc21	39056950	RNDDSIMRABKWGD-UHFFFAOYSA-N	192.645	2.782	50	40	AFGB	
Cc1ccc(CCCl)cc1F	78676507	XZKXXBJDPGKCMC-UHFFFAOYSA-N	172.630	2.915	50	40	AFGB	
CC(C)CCCCl	2168863	QUKRJOOWAUJXJN-UHFFFAOYSA-N	120.623	2.661	50	40	AFGB	
Cc1ccc(C(=O)[C@H](C)Cl)cc1	3319063	AVMPEHALQVCQQQ-QMMMGPOBSA-N	182.650	2.805	50	40	AFGB	in-vitro
Cc1cccc(C(=O)[C@H](C)Cl)c1	39054967	XJWXSAAUFWETGO-QMMMGPOBSA-N	182.650	2.805	50	40	AFGB	
Cc1cc(Cl)nc([C@@H](C)Cl)n1	62701746	HSNHVODQBKSRJD-RXMQYKEDSA-N	191.061	2.738	50	40	AFGB	in-vitro
O=C(CCCl)c1cccs1	5225973	MSLOAFIOTOHDIE-UHFFFAOYSA-N	174.652	2.560	50	40	AFGB	
CCCC[S@@](=O)[C@H](Cl)CCC	4620526	FHWJLZBLAFUSGT-KWQFWETISA-N	196.743	2.900	50	40	AFGB	
CCc1ccc(C=C(C#N)C#N)s1	42522	WIUSENZIOGYQAN-UHFFFAOYSA-N	188.255	2.741	50	40	AFGB	
N#CC1=C[C@@H]2C[C@H]1c1cccc(C#N)c12	6092231	FKQQTMCKMQUPSN-BXKDBHETSA-N	192.221	2.593	50	40	AFGB	
C[C@@H](Cl)[Si](C)(C)c1ccccc1	195767477	ZRRIFLWTPREPSA-VIFPVBQESA-N	198.769	2.769	50	40	AFGB	
N#C[C@@H](Cl)C1CCCCC1	45626787	FWYNCHBBDIJSRE-MRVPVSSYSA-N	157.644	2.698	50	40	AFGB	in-vitro
CCc1ccc(C(=O)CCl)s1	4206288	MOTHITYOWQEMMH-UHFFFAOYSA-N	188.679	2.732	50	40	AFGB	in-vitro
CC(C)CCn1cncc1CCl	59980022	UMAJWUXSRYCKPS-UHFFFAOYSA-N	186.686	2.668	50	40	AFGB	
CCOc1ccc(CCl)c(C)n1	72224164	UOJQYJIWPARXIG-UHFFFAOYSA-N	185.654	2.528	50	40	AFGB	
ClCCc1nc2ccccc2o1	102159297	FYJNPEBCFXRISV-UHFFFAOYSA-N	181.622	2.609	50	40	AFGB	
Cl[C@H]1CCCC[C@@H]1Br	100714080	YUIQHWAQFBGYLI-WDSKDSINSA-N	197.503	2.931	50	40	AFGB	
BrCC12CCC(C1)C2	66377947	FUUAMGKQLCKIMV-UHFFFAOYSA-N	175.069	2.572	50	40	AFGB	
FC(F)(F)SCCCCl	95918012	JTOZSXKXZGVGCV-UHFFFAOYSA-N	178.606	2.868	50	40	AFGB	
O=C(Cl)C12C[C@H]3CC1C[C@@H](C3)C2	100009538	FEJBSNLESASJKD-BGPATTHWSA-N	184.666	2.578	50	40	AFGB	
C[C@H](CCl)[C@H](C)CCl	104725168	GNMKHDROSCCKQP-PHDIDXHHSA-N	155.068	2.736	50	40	AFGB	
CCc1ccccc1C(=O)CCl	95916911	NJWKIFOCSBZTCL-UHFFFAOYSA-N	182.650	2.671	50	40	AFGB	
CC[C@H](C)SCCCl	2045452	SZWKDLZVWXCJGZ-LURJTMIESA-N	152.690	2.757	50	40	AFGB	
Cl[C@H]1CCOc2ccccc21	26515740	NUISHYVQGHCDEH-QMMMGPOBSA-N	168.623	2.749	50	40	AFGB	in-vitro
CC[C@@H]1CC=C(C#N)CC1	57211715	QINNUVWYMDPAJA-MRVPVSSYSA-N	135.210	2.646	50	40	AFGB	in-vitro
CC1=CC[C@@H](/C(C)=C/C=O)CC1	95611655	BTXNXZUCBAQIAS-PFEDMVJOSA-N	164.248	2.878	50	40	AFGB	
ClCC1SCCCCS1	91695828	WLPOOUZKEPMQGF-UHFFFAOYSA-N	182.741	2.812	50	40	AFGB	
Cc1cnc(Cl)c(CCl)c1	38363224	QMGOQZVMOIWWHO-UHFFFAOYSA-N	176.046	2.782	50	40	AFGB	
C[Si](C)(C)O/C=C1\CCCCC1=O	194927049	KUWISAFKUKBJFU-CMDGGOBGSA-N	198.338	2.865	50	40	AFGB	
CC(C)(C)OC(=O)OCCCCl	1083809161	REPSFKXWFGVINF-UHFFFAOYSA-N	194.658	2.567	50	40	AFGB	
O=C(Cl)/C=C/c1ccsc1	2513848	RBAJKSGPATVNEF-OWOJBTEDSA-N	172.636	2.527	50	40	AFGB	
O[C@@H]1C[C@@H]2CCCC[C@H]2C[C@H]1Cl	5432327	NRGPCFYRZKKZSX-AXTSPUMRSA-N	188.698	2.555	50	40	AFGB	
CC[C@@H](C)[C@H](C)Br	57940093	XAIYCDIAGUESKG-RITPCOANSA-N	165.074	2.816	50	40	AFGB	
Cc1cccc(CCl)c1[N+](=O)[O-]	113038093	DKOAMCBHOMXOPX-UHFFFAOYSA-N	185.610	2.642	50	40	AFGB	
CCCCCC[C@H](Cl)C=O	141203944	YSBIXKAZMUYACB-QMMMGPOBSA-N	162.660	2.763	50	40	AFGB	
N#CC(C#N)=C(Cl)c1ccccc1	2504700	HGWXUOJXKLGEAF-UHFFFAOYSA-N	188.617	2.684	50	40	AFGB	
N#CC(C#N)=Cc1cccc2[nH]ccc12	22863666	UVDRJUKHIJLOCW-UHFFFAOYSA-N	193.209	2.598	50	40	AFGB	
N#CC1=C2CCCC(C#N)=C2CCC1	1708837	ATNSUJMAYSKRHS-UHFFFAOYSA-N	184.242	2.995	50	40	AFGB	
N#CC1=C[C@@H]2C[C@H]1c1c(C#N)cccc12	6092232	AUQMKBIJBUGNNK-BXKDBHETSA-N	192.221	2.593	50	40	AFGB	
C=C/C=C\O[Si](C)(C)C	195751095	UQGOYQLRRBTVFM-SREVYHEPSA-N	142.274	2.538	50	40	AFGB	
C[C@@]1(CCl)CC1(Cl)Cl	164119	FOWRHXQSCVDBKQ-BYPYZUCNSA-N	173.470	2.809	50	40	AFGB	
CO[C@@H](C)c1nc(CCl)cs1	43519531	VNUDCYYHBDWOCX-YFKPBYRVSA-N	191.683	2.589	50	40	AFGB	in-vitro
C[C@@H](Cl)CNC1CCCCC1	6491822	OXNILSNOOGYJDB-MRVPVSSYSA-N	175.703	2.536	50	40	AFGB	
Cc1ccccc1C(=O)[C@H](C)Cl	238425791	BUGXNLXIWPYRKP-QMMMGPOBSA-N	182.650	2.805	50	40	AFGB	
Cc1cc(C)cc(C#CCCl)c1	57940101	FJUAFOFDUBMFPZ-UHFFFAOYSA-N	178.662	2.894	50	40	AFGB	
CCC[C@@H](CCCCl)OC	85396643	ZCNDDFFWEPNTDG-QMMMGPOBSA-N	164.676	2.821	50	40	AFGB	
CC(C)=CCC/C(C)=C\C=O	12358789	WTEVQBCEXWBHNA-YFHOEESVSA-N	152.237	2.878	50	40	AFGB	biogenic,in-vitro
Cc1ccc([C@H](Cl)C#N)cc1	45626847	XUXSNLBYINVXGI-SECBINFHSA-N	165.623	2.799	50	40	AFGB	
[C-]#[N+]CCc1ccc(Cl)cc1	95698262	WRUGNOIFVUHFFV-UHFFFAOYSA-N	165.623	2.802	50	40	AFGB	
C[C@H]1CCCC[C@@H]1N=C=S	4200474	PZMGXEOAUNVRIR-YUMQZZPRSA-N	155.266	2.668	50	40	AFGB	in-vitro
CCCOC(F)(F)[C@@H](F)Cl	205402051	VAQBXLDLDMFYQU-SCSAIBSYSA-N	176.565	2.540	50	40	AFGB	in-vitro
N#C/C=C/c1ccc(OC(F)F)cc1	43559183	VPWMZIMAUZLWBL-OWOJBTEDSA-N	195.168	2.825	50	40	AFGB	
O=[S@@](Cl)c1ccc(Cl)cc1	97957431	JCWBGXXPAPSAFE-JTQLQIEISA-N	195.070	2.601	50	40	AFGB	
CC(C)C(Cl)C(C)C	2528309	VOMRVCAZIIQGLI-UHFFFAOYSA-N	134.650	2.906	50	40	AFGB	
CSC/C(C=O)=C\c1ccccc1	54965204	QJDHQEQDIWDMOT-XFFZJAGNSA-N	192.283	2.632	50	40	AFGB	
CC1(C)[C@@H]2CC[C@@](C)(OO)[C@@H]1C2	100124677	QMQTYHMGPDPPPW-NQMVMOMDSA-N	170.252	2.691	50	40	AFGB	
C[C@H](Cl)CCCC(=O)Cl	88613818	XOMSOSIRNGNUSH-YFKPBYRVSA-N	169.051	2.549	50	40	AFGB	
O=C(Cl)[C@@H]1C[C@@H]1c1ccccc1	2169987	SODZBMGDYKEZJG-RKDXNWHRSA-N	180.634	2.556	50	40	AFGB	in-vitro
CSc1ncccc1CCl	12953004	JQTLUEKUKXVCMV-UHFFFAOYSA-N	173.668	2.542	50	40	AFGB	
N#C/C=C\c1cccc(Cl)c1	8653267	HMADLTFIHASVIY-RQOWECAXSA-N	163.607	2.877	50	40	AFGB	
ClCc1ccc(Br)o1	20077988	JQVZKIKBFKAFTL-UHFFFAOYSA-N	195.443	2.781	50	40	AFGB	
C[C@H](N=C=S)c1cccs1	35737084	FNULICTWRLOKEU-LURJTMIESA-N	169.274	2.912	50	40	AFGB	
Cc1ccc(F)cc1C(=O)CCl	87224372	YHTUBFWAHPAFIH-UHFFFAOYSA-N	186.613	2.556	50	40	AFGB	
ClCCCc1nc2ccccc2o1	20384939	NCCSSFGYRMYCFK-UHFFFAOYSA-N	195.649	2.999	50	40	AFGB	in-vitro
CCc1cc(C(=O)Cl)c(C)c(C)n1	685937278	MENYVAFUIMEZDO-UHFFFAOYSA-N	197.665	2.640	50	40	AFGB	
COc1ccc(/C=C/C#N)cc1Cl	6230718	AAIGHOWNUSJFBV-NSCUHMNNSA-N	193.633	2.885	50	40	AFGB	
Fc1ccccc1CCCCl	49651062	SGDQKNGAWRUTCY-UHFFFAOYSA-N	172.630	2.997	50	40	AFGB	
CC/C(C)=C/CBr	79006971	DJZUPHKHXDIJFU-GQCTYLIASA-N	163.058	2.738	50	40	AFGB	
COc1ccc([C@@H](C)N=C=S)cc1	2548130	HOWJPQXDLZDTBF-MRVPVSSYSA-N	193.271	2.859	50	40	AFGB	
S=C=N[C@H]1CCc2ccccc21	2548033	YQGGEOQEFFXRLO-JTQLQIEISA-N	175.256	2.777	50	40	AFGB	
O=C(Cl)c1cc2cc(F)ccc2[nH]1	34491917	UMLGAJBWICWJOR-UHFFFAOYSA-N	197.596	2.686	50	40	AFGB	
CC[C@H](Cl)[C@H](C)Cl	100270659	HVFJQRZGBBKTPL-WHFBIAKZSA-N	141.041	2.631	50	40	AFGB	
CC1=CCCC[C@@H]1Br	104152251	SWPQJEUVZUTALE-ZETCQYMHSA-N	175.069	2.880	50	40	AFGB	
CC1(C)/C(=C/C=O)[C@@H]2CC[C@@H]1C2	105585098	CSUCBYYLYMFEFB-SDEVKPEUSA-N	164.248	2.568	50	40	AFGB	
CCCCO[C@@H](C)OCCCCl	1083807934	DTEOPJBRROLNAL-SECBINFHSA-N	194.702	2.795	50	40	AFGB	
O=C(O)/C=C/S(F)(F)(F)(F)F	306311568	RJBNJZYOWKKRGF-OWOJBTEDSA-N	198.112	2.883	50	40	AFGB	
COc1cccc(C(=O)[C@@H](C)Cl)c1	39055241	JQJMJLTWFIXNDD-SSDOTTSWSA-N	198.649	2.505	50	40	AFGB	
CCCC[C@H](C)Br	2027032	NEBYCXAKZCQWAW-LURJTMIESA-N	165.074	2.960	50	40	AFGB	
ClCc1ncnc(Cl)c1Cl	34724812	MHLODSYJYGXERC-UHFFFAOYSA-N	197.452	2.522	50	40	AFGB	
Cc1cc(NC2CC2)ncc1CCl	72223801	KRLKBYDRGXPPPI-UHFFFAOYSA-N	196.681	2.703	50	40	AFGB	
CC(C)(C)c1ccc([C@@H](O)C#N)cc1	59261774	IDVNRVASEIMNBY-NSHDSACASA-N	189.258	2.541	50	40	AFGB	
N#C/C=C/C=C/c1ccccc1	1717819	JDCCCHBBXRQRGU-VDESZNBCSA-N	155.200	2.780	50	40	AFGB	
CCCOC(F)(F)[C@H](F)Cl	205402065	VAQBXLDLDMFYQU-BYPYZUCNSA-N	176.565	2.540	50	40	AFGB	in-vitro
Fc1ccc(CCl)s1	167971096	HFYFPZNAAYKGQC-UHFFFAOYSA-N	150.605	2.626	50	40	AFGB	
N#CSc1ccc(SC#N)s1	100159898	ADDAJJNRBDCPFR-UHFFFAOYSA-N	198.297	2.894	50	40	AFGB	
N#CC1=C[C@@H]2C[C@@H]1c1cc(C#N)ccc12	100941050	TXACHUFKFIKJLH-SKDRFNHKSA-N	192.221	2.593	50	40	AFGB	
Cc1cc(C)c(/C=C/C=O)cc1C	86208052	KUCMZYOWUZPWNE-SNAWJCMRSA-N	174.243	2.824	50	40	AFGB	in-vitro
O=C(Cl)Oc1cccc(F)c1	80011373	UIEYPDNYJMIKMW-UHFFFAOYSA-N	174.558	2.563	50	40	AFGB	
C[C@@H](Br)C(Cl)Cl	100075888	IPJIVVBEXFDZMD-UWTATZPHSA-N	191.883	2.574	50	40	AFGB	
COc1cc(F)ccc1CCl	6666539	UWENSPCOUMZCBU-UHFFFAOYSA-N	174.602	2.573	50	40	AFGB	
Cc1cc(OC(=O)Cl)ccc1F	19615523	XFECTXXCJBOFJE-UHFFFAOYSA-N	188.585	2.872	50	40	AFGB	in-vitro
O=C(Cl)C[C@H]1C[C@H]2CC[C@H]1C2	101727118	SGEBCUSJUMCJGH-BIIVOSGPSA-N	172.655	2.578	50	40	AFGB	in-vitro
O=C(Cl)c1ccoc1C(F)(F)F	139857437	CEXYQAFMAHRHET-UHFFFAOYSA-N	198.527	2.677	50	40	AFGB	
O=C(Cl)[C@H]1CCc2ccccc2C1	34625809	GBZFILBGEYHYAE-JTQLQIEISA-N	194.661	2.557	50	40	AFGB	
FC(F)(F)c1cc(CCl)ccn1	38812071	YOIMSDQEIAGDNP-UHFFFAOYSA-N	195.571	2.839	50	40	AFGB	
[C-]#[N+][C@H](C)c1ccc(F)cc1	95686711	ZCMLTZQJXGHXQJ-SSDOTTSWSA-N	149.168	2.806	50	40	AFGB	
COc1ccccc1/C(C)=C/C#N	43559035	ZBPWJWXDCUFULS-VQHVLOKHSA-N	173.215	2.622	50	40	AFGB	
O=C(Cl)[C@@H]1CCc2ccccc2C1	34625810	GBZFILBGEYHYAE-SNVBAGLBSA-N	194.661	2.557	50	40	AFGB	
N#CC1=C[C@@H]2C[C@H]1c1ccccc12	6117527	PPJKYKZPSUOZFT-PRHODGIISA-N	167.211	2.721	50	40	AFGB	
CCc1cc(C(=O)Cl)ccc1F	167481518	BPQALSCMJATKTF-UHFFFAOYSA-N	186.613	2.767	50	40	AFGB	
C[C@@H]1CCC[C@@H](Br)C1	1699961	CAKVGNXMAZLDPV-RNFRBKRXSA-N	177.085	2.960	50	40	AFGB	
O=C(N=C=S)c1ccccc1Cl	2575492	XYPZDEZBMUGRRY-UHFFFAOYSA-N	197.646	2.583	50	40	AFGB	in-vitro
Br[C@H]1CC2CCC1CC2	1595412	SFAAKNFUDVMJAE-RRQHEKLDSA-N	189.096	2.960	50	40	AFGB	
Cc1ccc(C(=O)[C@@H](C)Cl)s1	19388614	HXHBYRDMOIVTGL-ZCFIWIBFSA-N	188.679	2.867	50	40	AFGB	
C[C@H]1CCC[C@H](Br)C1	1699962	CAKVGNXMAZLDPV-BQBZGAKWSA-N	177.085	2.960	50	40	AFGB	
CC(=O)SSc1ccccc1	2507492	XGTWOXXBRMVJEQ-UHFFFAOYSA-N	184.285	2.973	50	40	AFGB	
CC1CCC(Cl)CC1	2564207	KNEUJTFLMQRIFD-UHFFFAOYSA-N	132.634	2.804	50	40	AFGB	
Cc1ccsc1CBr	54711036	LYHMBPDSKXMPBO-UHFFFAOYSA-N	191.093	2.951	50	40	AFGB	
O=C/C=C/c1cccc(Cl)c1	14982358	GTQLBYROWRZDHS-DUXPYHPUSA-N	166.607	2.552	50	40	AFGB	
Br[C@H]1C[C@H]2CC[C@@H]1C2	49952232	QXYOAWHKJRWNID-XVMARJQXSA-N	175.069	2.570	50	40	AFGB	
N#CC1=C(/N=C/c2ccco2)CCC1	494435	YKRNVAGCRIGNNN-MDWZMJQESA-N	186.214	2.660	50	40	AFGB	
CCc1cccc(CCl)c1	71613279	ONGBRSYRDRQMBB-UHFFFAOYSA-N	154.640	2.988	50	40	AFGB	
Cc1cc(C=C(C#N)C#N)c(C)s1	137408	TZYBWRNMWVNZJN-UHFFFAOYSA-N	188.255	2.796	50	40	AFGB	
O=C(Cl)c1c[nH]c2ccccc12	22012316	IIJFYTVJRDKVCI-UHFFFAOYSA-N	179.606	2.547	50	40	AFGB	in-vitro
CCC[C@@H](Cl)[C@@]1(CC)CO1	4429422	BFRSUXMNGMFKCP-HTQZYQBOSA-N	162.660	2.573	50	40	AFGB	
CCC[C@H](Cl)[C@]1(CC)CO1	4429419	BFRSUXMNGMFKCP-YUMQZZPRSA-N	162.660	2.573	50	40	AFGB	
CC(C)=C(C#N)n1cnc2ccccc21	1516593	HRPFYNCEIAYZKT-UHFFFAOYSA-N	197.241	2.811	50	40	AFGB	
Cc1c(F)cc(C(=O)Cl)cc1F	34119730	KVEJJMIYHDTKAM-UHFFFAOYSA-N	190.576	2.652	50	40	AFGB	
CC(=C(C#N)C#N)c1ccc(C)cc1	391011	XYWJLFIDPXBVOD-UHFFFAOYSA-N	182.226	2.816	50	40	AFGB	
Cc1ccc(F)cc1CCl	2509695	MTKSHHODKOMICW-UHFFFAOYSA-N	158.603	2.873	50	40	AFGB	
C[Si](C)(C)/N=C\O[Si](C)(C)C	195755292	OTDRFKGIUXXUNN-FPLPWBNLSA-N	189.407	2.701	50	40	AFGB	
BrC[C@H]1C[C@@H]2C=C[C@@H]1C2	100012962	XCDJEPZLSGMJSM-BWZBUEFSSA-N	187.080	2.594	50	40	AFGB	
O=C(Cl)C12C[C@@H]3CC1C[C@@H](C3)C2	38282520	FEJBSNLESASJKD-NLZKFAMNSA-N	184.666	2.578	50	40	AFGB	
CC1CCC(C(=O)Cl)CC1	39365481	ODYARUXXIJYYNA-UHFFFAOYSA-N	160.644	2.578	50	40	AFGB	
CC(=O)c1ccc([C@H]2C[C@@H]2Cl)cc1	163672	RTQFNKZPZXAHEK-MNOVXSKESA-N	194.661	2.984	50	40	AFGB	
N#CC1=C[C@H]2C[C@@H]1c1c(C#N)cccc12	6092229	AUQMKBIJBUGNNK-CABZTGNLSA-N	192.221	2.593	50	40	AFGB	
S=C=N[C@@H]1CCc2ccccc21	2525811	YQGGEOQEFFXRLO-SNVBAGLBSA-N	175.256	2.777	50	40	AFGB	
N#C[C@H](Cl)c1ccc(F)cc1	44315880	OUFGQHFAYMPMOD-QMMMGPOBSA-N	169.586	2.629	50	40	AFGB	
BrC1C[C@@H]2CC[C@@H](C1)C2	144463959	UQEMCUFBIHKAEI-RNFRBKRXSA-N	189.096	2.960	50	40	AFGB	
CCC[Si](C)(C)CCl	195760905	KKLINDFMKIJPJU-UHFFFAOYSA-N	150.725	2.883	50	40	AFGB	
O[C](CCCl)c1ccccc1	1560406248	XIVLCXQPCRXSHN-UHFFFAOYSA-N	169.631	2.568	50	40	AFGB	
Cn1c(C(=O)Cl)cc2ccccc21	39056963	USATVDUBRWEFMO-UHFFFAOYSA-N	193.633	2.557	50	40	AFGB	
O=C(Cl)C12C[C@@H]3CC1C[C@H](C3)C2	100009540	FEJBSNLESASJKD-KEMUHUQJSA-N	184.666	2.578	50	40	AFGB	
CCCCNCCCCCCl	1685553	RRLQATRMHONDRS-UHFFFAOYSA-N	177.719	2.785	50	40	AFGB	
N#CSCCCC(F)(F)F	2540423	STUVPAYEMVGXQZ-UHFFFAOYSA-N	169.171	2.543	50	40	AFGB	
NCCCCC[C@H]1CCSS1	78920271	KSGAPUFLPGPSIQ-QMMMGPOBSA-N	191.365	2.659	50	40	AFGB	
N#C[C@H](Cl)c1ccccc1F	44315876	ODVJIBFHNLMCBZ-ZETCQYMHSA-N	169.586	2.629	50	40	AFGB	
Fc1ccc(CN=C=S)cc1F	49577875	LWWNSJFEONSWHC-UHFFFAOYSA-N	185.198	2.568	50	40	AFGB	
O=C(Cl)C[C@@H](Cl)C1CCCC1	49582049	YACGLVWJVFOXAO-SSDOTTSWSA-N	195.089	2.940	50	40	AFGB	
FC1(F)CC[C@H](Br)C1	307183554	YKUBVXZNAYOTDW-BYPYZUCNSA-N	185.011	2.569	50	40	AFGB	
CC(=O)CCCCCBr	64633970	OBHYAAHXAGULJT-UHFFFAOYSA-N	193.084	2.531	50	40	AFGB	in-vitro
Cc1cc(F)ccc1C#CCCl	57840741	NUHZBAPPBDHEGO-UHFFFAOYSA-N	182.625	2.724	50	40	AFGB	
Br[C@@H]1C[C@H]1c1ccccc1	2008380	IITYLOQJUHFLPM-DTWKUNHWSA-N	197.075	2.937	50	40	AFGB	in-vitro
S=C=NC[C@@H](Cl)CCCCl	2574320	RLOWUJXVPSIYHE-LURJTMIESA-N	198.118	2.716	50	40	AFGB	in-vitro
C[C@@H](CC(C)(C)C)C(=O)Cl	5641420	HXUYLBGYPUIKOF-LURJTMIESA-N	162.660	2.824	50	40	AFGB	
Fc1cc(CCCl)cc(F)c1F	82955032	SNEDJNKDKPXTTC-UHFFFAOYSA-N	194.583	2.885	50	40	AFGB	
Fc1cc(CCl)cnc1Cl	95761839	DGKPTNFDTFHUFN-UHFFFAOYSA-N	180.009	2.613	50	40	AFGB	in-vitro
Cc1cc(O)cc(C)c1N=C=S	65740547	CEUCLBRTBJPLGR-UHFFFAOYSA-N	179.244	2.743	50	40	AFGB	in-vitro
CC(C)(C)CC(C)(C)OO	100886954	MIRQGKQPLPBZQM-UHFFFAOYSA-N	146.230	2.691	50	40	AFGB	
BrCCCc1ccco1	19785270	IIGJOLNIKPMEEH-UHFFFAOYSA-N	189.052	2.607	50	40	AFGB	in-vitro
N#C[C@H](Cl)C1CCCCC1	45626788	FWYNCHBBDIJSRE-QMMMGPOBSA-N	157.644	2.698	50	40	AFGB	in-vitro
CC[C@@](Cl)(C=O)[C@H](Cl)C(C)C	1562426	MLRGUDRVGVFJIA-HTQZYQBOSA-N	197.105	2.836	50	40	AFGB	
C[C@H](CCl)[C@@H](C)CCl	104725165	GNMKHDROSCCKQP-OLQVQODUSA-N	155.068	2.736	50	40	AFGB	
Cl[C@H]1[C@H]2CC[C@H](C2)[C@H]1Cl	80874937	FRNCOQMOHQNWML-UMRXKNAASA-N	165.063	2.631	50	40	AFGB	
CC/C(C=O)=C\c1ccsc1	86208649	PXFUNUAAGVHVOT-VMPITWQZSA-N	166.245	2.740	50	40	AFGB	in-vitro
C/C(=C\C#N)CC(C)C	5452664	KMZKRGSNSZTFDC-XBXARRHUSA-N	123.199	2.502	50	40	AFGB	
Cc1cc(NC(C)C)ncc1CCl	72222994	DAGPABWBEQUXQI-UHFFFAOYSA-N	198.697	2.949	50	40	AFGB	
C=C[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1Cl	104187115	YSVJVNHNYSSNHQ-JBDRJPRFSA-N	156.656	2.826	50	40	AFGB	
ClCc1cnn(C2CCCC2)c1	40538513	MENRYIBLXDPAAO-UHFFFAOYSA-N	184.670	2.737	50	40	AFGB	
Fc1ccc2nc(CCl)oc2c1	75772014	JVUWLFQJNVEUSF-UHFFFAOYSA-N	185.585	2.706	50	40	AFGB	
Cc1ccccc1SSCCN	1579492	XQXLXURYLSFILY-UHFFFAOYSA-N	199.344	2.694	50	40	AFGB	
C=CC/C=C(\C#N)CC=C	1716789	VLSRAONWAWHGLO-CLFYSBASSA-N	133.194	2.589	50	40	AFGB	
[C-]#[N+]CCCCc1ccccc1	95697012	NARXYPSTHKFRDV-UHFFFAOYSA-N	159.232	2.929	50	40	AFGB	
C#CS(F)(F)(F)(F)F	95671275	MTLCYNJLMYQYBE-UHFFFAOYSA-N	152.087	2.876	50	40	AFGB	
Cc1[nH]c(=S)ccc1CCl	72225847	BRIBXBOIGNRKBP-UHFFFAOYSA-N	173.668	2.791	50	40	AFGB	
CCC(I)CC	1995145	VRQDQJYBWZERBW-UHFFFAOYSA-N	198.047	2.610	50	40	AFGB	
O=[N+]([O-])c1ccccc1SCl	85576277	NTNKNFHIAFDCSJ-UHFFFAOYSA-N	189.623	2.841	50	40	AFGB	
Cl[C@@H]1C[C@H]2C[C@H]1[C@H]1C=CC[C@@H]21	100140792	BVIVIHDQFQUFSV-SQQIUAQRSA-N	168.667	2.826	50	40	AFGB	
CC(C)(C)[Si](C)(C)Oc1cn[nH]c1	197091067	XLJVKJZMMAYEKB-UHFFFAOYSA-N	198.342	2.794	50	40	AFGB	
FC1(F)CC[C@H](CBr)C1	300763051	NFEHQXLBRRUJQB-YFKPBYRVSA-N	199.038	2.817	50	40	AFGB	
[C-]#[N+]CCc1cccc(Cl)c1	95698263	YSROKGLXUUNSIS-UHFFFAOYSA-N	165.623	2.802	50	40	AFGB	
COc1cccc2c1[C@H]1C[C@@H]2C=C1C#N	6019176	NMBDJHWLMRYGKJ-KWQFWETISA-N	197.237	2.730	50	40	AFGB	
CCc1cccc(C(=O)Cl)c1	39056302	HWJRNRRLBHDICV-UHFFFAOYSA-N	168.623	2.628	50	40	AFGB	
FC(F)=CC(Cl)Cl	100046514	OBFAQBSZUXJMSP-UHFFFAOYSA-N	146.951	2.571	50	40	AFGB	
CN(O[Si](C)(C)C)[Si](C)(C)C	196085809	LXNSJZVQLMUDMT-UHFFFAOYSA-N	191.423	2.520	50	40	AFGB	in-vitro
CCO[P@@](=O)(F)c1ccccc1	100036481	GERAEOSSWSKBLE-GFCCVEGCSA-N	188.138	2.511	50	40	AFGB	
N#CC1=C[C@@H]2C[C@@H]1c1c(C#N)cccc12	100941091	AUQMKBIJBUGNNK-SKDRFNHKSA-N	192.221	2.593	50	40	AFGB	
N#C/C=C1/c2ccccc2C[C@@H]1Cl	143835319	XXMYJIWLVOGMKK-VQNWOSHQSA-N	189.645	2.757	50	40	AFGB	
N#C/C=C/c1cccc2cnccc12	72206985	ICQNIXZRHGUBLZ-GORDUTHDSA-N	180.210	2.772	50	40	AFGB	
ClCc1ccnc(CCl)c1	100289226	FXHAIUVIYDUVGM-UHFFFAOYSA-N	176.046	2.559	50	40	AFGB	
C[C@H](Cl)C(=O)c1cccs1	19278672	YBJIAOWXOCYNOV-YFKPBYRVSA-N	174.652	2.558	50	40	AFGB	
Cl[C@H]1CCCC[C@H]1[n+]1ccccc1	5583147	INGPXRYDWKQISX-WDEREUQCSA-N	196.701	2.697	50	40	AFGB	
Cc1ccc(F)cc1C#CCCl	57840700	SKHUHKIEOLPVGX-UHFFFAOYSA-N	182.625	2.724	50	40	AFGB	
C[C@H](Br)c1ccncc1	34463161	SHGPTRHMCXOWFV-LURJTMIESA-N	186.052	2.538	50	40	AFGB	in-vitro
C[C@@H](CC(=O)Cl)c1ccccc1	4269770	XCAXRFFRVJOHMX-QMMMGPOBSA-N	182.650	2.946	50	40	AFGB	
COc1ccc([C@H](C)N=C=S)cc1	2548036	HOWJPQXDLZDTBF-QMMMGPOBSA-N	193.271	2.859	50	40	AFGB	
CO[C@H](C)c1nc(CCl)cs1	43519533	VNUDCYYHBDWOCX-RXMQYKEDSA-N	191.683	2.589	50	40	AFGB	in-vitro
N#Cc1ccccc1OCCCCl	19394938	RBIBFYCKNFQEQI-UHFFFAOYSA-N	195.649	2.566	50	40	AFGB	
N#C[C@H](Cl)c1cc(F)ccc1F	45626724	TYYSJLVTRTUSIC-ZETCQYMHSA-N	187.576	2.768	50	40	AFGB	
O=CC1=C(Cl)CCC2(CC2)C1	217436269	ABWNVQMCUPZLME-UHFFFAOYSA-N	170.639	2.642	50	40	AFGB	
CCC[C@H](C)I	1586307	JUPBFIYJUCWJCT-YFKPBYRVSA-N	198.047	2.610	50	40	AFGB	in-vitro
N#CSCc1cccc(F)c1	32138415	SLWRZPKYDHXGFL-UHFFFAOYSA-N	167.208	2.540	50	40	AFGB	
N#C[C@@H](Cl)c1ccc(F)cc1F	45626829	WJVFUIFMIMGJHH-SSDOTTSWSA-N	187.576	2.768	50	40	AFGB	in-vitro
C/C(=C\CBr)CCl	72399501	KVRRYYFABPLXLQ-GORDUTHDSA-N	183.476	2.566	50	40	AFGB	in-vitro
CCCC(C)(C)C(=O)Cl	2584465	NUBKYCCXDNYHLQ-UHFFFAOYSA-N	148.633	2.578	50	40	AFGB	in-vitro
Cl[C@@H]1CCCc2cccnc21	32914921	HGGWYJGOBNJZRY-MRVPVSSYSA-N	167.639	2.698	50	40	AFGB	in-vitro
C[C@H](Cl)c1ccncc1F	91305744	WXFUYRFHCGHEBA-YFKPBYRVSA-N	159.591	2.521	50	40	AFGB	in-vitro
CC[C@H](C)[C@H](C)Br	57940096	XAIYCDIAGUESKG-WDSKDSINSA-N	165.074	2.816	50	40	AFGB	
CC[C@@H](C)[C@H](C)Cl	57940084	JPFZKJQZKBEPGQ-RITPCOANSA-N	120.623	2.660	50	40	AFGB	
C[C@@H](Cl)C(=O)c1ccccc1F	96373346	CESWXWJWPPNAPM-ZCFIWIBFSA-N	186.613	2.636	50	40	AFGB	
Cc1ccccc1CCC(=O)Cl	39375138	HLIIURRHLIYNGV-UHFFFAOYSA-N	182.650	2.693	50	40	AFGB	
FCCOc1ccc(CCl)cc1	59524575	JUYIIXITYWNVEL-UHFFFAOYSA-N	188.629	2.774	50	40	AFGB	
ClCc1noc2ccccc12	82402288	XTPQPGXMMWKUQJ-UHFFFAOYSA-N	167.595	2.567	50	40	AFGB	
FC(F)[C@H](Cl)C(Cl)Cl	627280117	VAUVJYPXWMLEFJ-PVQJCKRUSA-N	183.412	2.663	50	40	AFGB	
CCCCC/C(C)=C(\C#N)C(=O)OC	1600383	FGFQRKNEAMQEIR-MDZDMXLPSA-N	195.262	2.580	50	40	AFGB	
O=C/C=C\c1ccc(Cl)cc1	13542608	HONRSHHPFBMLBT-UPHRSURJSA-N	166.607	2.552	50	40	AFGB	
Cc1cc(C)cc(C(=O)CCl)c1	87224258	GLLFJBRASCARSL-UHFFFAOYSA-N	182.650	2.725	50	40	AFGB	
O=C(Cl)/C=C/c1cccc(F)c1	2574174	LYOVOKZDYQTGTL-SNAWJCMRSA-N	184.597	2.604	50	40	AFGB	
Cc1c[nH]c2nc(CCl)ccc12	238557377	ZSWAJXBIHHFWMM-UHFFFAOYSA-N	180.638	2.610	50	40	AFGB	
C[C@H](Br)c1cccnc1	36894552	AYQGLQWVPNMQEI-LURJTMIESA-N	186.052	2.538	50	40	AFGB	
CCCC(Cl)Cl	2034867	SEQRDAAUNCRFIT-UHFFFAOYSA-N	127.014	2.590	50	40	AFGB	
C[C@H](CCl)CNc1ccccc1	39473397	FDZFBHJOCGOETB-SECBINFHSA-N	183.682	2.973	50	40	AFGB	
CC(C)C[C@@H](C#N)CBr	63064614	IBSQLFGQRHRBBK-SSDOTTSWSA-N	190.084	2.567	50	40	AFGB	in-vitro
Cc1cc(F)cc(C#CCCl)c1	86690570	NQJQCMBZHKKULP-UHFFFAOYSA-N	182.625	2.724	50	40	AFGB	
C[Si](C)(C)/N=C/O[Si](C)(C)C	195755295	OTDRFKGIUXXUNN-BQYQJAHWSA-N	189.407	2.701	50	40	AFGB	
N#CS/C=C/C(=O)c1ccccc1	1882146	JOWGYKSVRDSZSJ-VOTSOKGWSA-N	189.239	2.597	50	40	AFGB	biogenic
CC1(C)[C@H]2CC[C@@]1(CCl)C(=O)C2	100643049	PKTBHNPYHOMBAI-OIBJUYFYSA-N	186.682	2.621	50	40	AFGB	
C/C=C(\C)CC/C(C)=C\C=O	207962696	PEAPMUZNABIRAP-MYAOFTLLSA-N	152.237	2.878	50	40	AFGB	
Cl[C@H]1Cc2ccccc21	68568716	WTWLGTHCUYESQD-QMMMGPOBSA-N	138.597	2.523	50	40	AFGB	
C[Si](C)(C)CCCNCCCl	195784690	IYKRCYLRVZMRAH-UHFFFAOYSA-N	193.794	2.543	50	40	AFGB	
COc1cc2c(cc1C)[C@H](Cl)C2	3848169	IUMJGWDDJBYBSK-SECBINFHSA-N	182.650	2.840	50	40	AFGB	
Cc1c[nH]c2ncc(CCl)cc12	238557648	ZJPSZYNANBBFHM-UHFFFAOYSA-N	180.638	2.610	50	40	AFGB	
OC(CCl)=C1C=C[C](F)C=C1	1560407674	ONMQSRZQXWQCHK-UHFFFAOYSA-N	173.594	2.665	50	40	AFGB	
Fc1cc(Cl)cc(CCl)n1	95764917	INHRCKOAQIMUMQ-UHFFFAOYSA-N	180.009	2.613	50	40	AFGB	
C[C@@H]1CSC[C@H](Br)C1	72220298	DCJXBHFIAGDTJA-NTSWFWBYSA-N	195.125	2.523	50	40	AFGB	
ClCc1cnn(-c2ccccc2)c1	2657413	PRKFRFBAKGZDEX-UHFFFAOYSA-N	192.649	2.611	50	40	AFGB	in-vitro
CCOc1ccc([C@@H](Cl)C#N)cc1	45626902	ZZEUKRUEDDZGLQ-JTQLQIEISA-N	195.649	2.889	50	40	AFGB	
C[C@H](CC(C)(C)C)C(=O)Cl	1587693	HXUYLBGYPUIKOF-ZCFIWIBFSA-N	162.660	2.824	50	40	AFGB	
CC[C@@H](Cl)C(=O)c1ccccc1	1995620	RWAKBGVDMQRDNA-SECBINFHSA-N	182.650	2.887	50	40	AFGB	
CCOc1ccc([C@H](Cl)C#N)cc1	45626901	ZZEUKRUEDDZGLQ-SNVBAGLBSA-N	195.649	2.889	50	40	AFGB	
ClCCO[C@H]1CCCC[C@@H]1Cl	5375913	IBLDSEUVWLIIBF-YUMQZZPRSA-N	197.105	2.792	50	40	AFGB	
CCO[P@](=O)(F)c1ccccc1	100036477	GERAEOSSWSKBLE-LBPRGKRZSA-N	188.138	2.511	50	40	AFGB	
C/C=C(/C)CC/C(C)=C/C=O	207962771	PEAPMUZNABIRAP-SWSBUGGLSA-N	152.237	2.878	50	40	AFGB	
FC(F)(F)CCCCCl	104724989	WSAXYCNNEKYLKB-UHFFFAOYSA-N	160.566	2.958	50	40	AFGB	
COc1ccc(CCl)cc1C	2528047	BHEHNICAPZVKRH-UHFFFAOYSA-N	170.639	2.742	50	40	AFGB	in-vitro
C[N+](C)(CCl)C1CCCCC1	1720068	GYVDXRBIQDFIPX-UHFFFAOYSA-N	176.711	2.592	50	40	AFGB	
CCC[C@@H](Cl)[C@]1(CC)CO1	4429420	BFRSUXMNGMFKCP-SFYZADRCSA-N	162.660	2.573	50	40	AFGB	
N#C/C(=C1/CCCCN1)c1ccccc1	39245052	SYIYQCZOGHHGOE-OUKQBFOZSA-N	198.269	2.695	50	40	AFGB	
N#CC1=C[C@@H]2C[C@@H]1c1cccc(C#N)c12	100941074	FKQQTMCKMQUPSN-SKDRFNHKSA-N	192.221	2.593	50	40	AFGB	
CC(C)(C#N)CCCCl	1653894	AGJFOWMZIAASOW-UHFFFAOYSA-N	145.633	2.555	50	40	AFGB	in-vitro
C[C@@H](Cl)c1cccc([N+](=O)[O-])c1	4218307	QRWUNNJGVSGUAF-ZCFIWIBFSA-N	185.610	2.895	50	40	AFGB	in-vitro
N#CC1=C[C@@H]2C[C@@H]1c1ccccc12	100941109	PPJKYKZPSUOZFT-PELKAZGASA-N	167.211	2.721	50	40	AFGB	
COc1ccc(C(=O)[C@H](C)Cl)cc1	2650223	FTNUZHDTKWNHGN-ZETCQYMHSA-N	198.649	2.505	50	40	AFGB	in-vitro
O=C/C=C(/Cl)c1ccc(F)cc1	31983197	PMRMSGNJEJXYGD-WEVVVXLNSA-N	184.597	2.604	50	40	AFGB	
C=Cc1ccc(C(=O)Cl)cc1	34617989	DGZXVEAMYQEFHB-UHFFFAOYSA-N	166.607	2.709	50	40	AFGB	in-vitro
Cc1cc(F)cc(C)c1C(=O)Cl	2540288	RIJZJWFWYZXZML-UHFFFAOYSA-N	186.613	2.822	50	40	AFGB	
Cc1ccc(C(=O)[C@@H](C)Cl)cc1	3319061	AVMPEHALQVCQQQ-MRVPVSSYSA-N	182.650	2.805	50	40	AFGB	in-vitro
C[C@@H]1CSC[C@@H](Br)C1	72220296	DCJXBHFIAGDTJA-WDSKDSINSA-N	195.125	2.523	50	40	AFGB	
CCCC[C@@H](C)Br	2027029	NEBYCXAKZCQWAW-ZCFIWIBFSA-N	165.074	2.960	50	40	AFGB	
CCOC(=O)CCCCCCCl	2168331	MTVFBQCYLUWYAS-UHFFFAOYSA-N	192.686	2.739	50	40	AFGB	
Cl[C@H]1CCCc2cccnc21	32914923	HGGWYJGOBNJZRY-QMMMGPOBSA-N	167.639	2.698	50	40	AFGB	in-vitro
FC(F)(F)[C@](F)(Cl)CCl	72265594	LOCOMRPWMOCMPV-REOHCLBHSA-N	184.947	2.692	50	40	AFGB	
CC(C)Cc1nnc([C@@H](C)Cl)o1	21950162	JSODMRYPYWHQTC-ZCFIWIBFSA-N	188.658	2.568	50	40	AFGB	in-vitro
O=C(CCl)C1CCCCCC1	39054867	XKUSPIWAGLYBNJ-UHFFFAOYSA-N	174.671	2.765	50	40	AFGB	in-vitro
Cn1cc(C(=O)Cl)c2ccccc21	34476010	MCDFXFLLOVQTLA-UHFFFAOYSA-N	193.633	2.557	50	40	AFGB	in-vitro
N#CC(C#N)=C/C=C/c1ccccc1	1706717	BQOCYDLOAKZPQE-QPJJXVBHSA-N	180.210	2.673	50	40	AFGB	
N#C/C=C\c1c[nH]c2ccccc12	14517561	GQCABHQDRZQIOP-ARJAWSKDSA-N	168.199	2.705	50	40	AFGB	
Cc1ccc(CCCl)cc1	1705424	TWIWWNQQAVOIQJ-UHFFFAOYSA-N	154.640	2.776	50	40	AFGB	in-vitro
N#C/C=C/c1c[nH]c2ccccc12	34588575	GQCABHQDRZQIOP-ONEGZZNKSA-N	168.199	2.705	50	40	AFGB	
ClCc1cc(-c2ccccc2)n[nH]1	83822213	NFYSNSPOTLSWLF-UHFFFAOYSA-N	192.649	2.816	50	40	AFGB	
C=C[C@H]1[C@@H](Cl)[C@H]2CC[C@@H]1C2	104187107	YSVJVNHNYSSNHQ-XAVMHZPKSA-N	156.656	2.826	50	40	AFGB	
O=C/C=C/C=C/c1ccccc1F	72226048	OOPGVLYZJFWTBK-IJIVKGSJSA-N	176.190	2.594	50	40	AFGB	
FC(F)(Cl)[C@H](Cl)CCl	79127202	JAQKPYNFGZPKTM-UWTATZPHSA-N	183.412	2.664	50	40	AFGB	
CC(C)[C@H](N=C=O)c1ccc(F)cc1	41206159	FLCHLTQXNFKEPI-NSHDSACASA-N	193.221	2.859	50	40	AFGB	
O=C(Cl)/C=C\c1ccsc1	83295890	RBAJKSGPATVNEF-UPHRSURJSA-N	172.636	2.527	50	40	AFGB	
C[C@H](Cl)CNC1CCCCC1	1748015	OXNILSNOOGYJDB-QMMMGPOBSA-N	175.703	2.536	50	40	AFGB	
FC(F)(Cl)[C@@H](Cl)CCl	79127200	JAQKPYNFGZPKTM-REOHCLBHSA-N	183.412	2.664	50	40	AFGB	
ClCC=C(Cl)Cl	2036048	JFEVIPGMXQNRRF-UHFFFAOYSA-N	145.416	2.544	50	40	AFGB	in-vitro
O=C(Cl)c1cccc2c1CCCC2	3848411	WXIAUXKXOZCTGZ-UHFFFAOYSA-N	194.661	2.944	50	40	AFGB	in-vitro
CCCNc1ccc(CCl)cn1	72225212	QERSXJPZCJBCEI-UHFFFAOYSA-N	184.670	2.642	50	40	AFGB	
C=CCC[C@@H](C)Br	2564184	AIAXFFLNNULCFG-ZCFIWIBFSA-N	163.058	2.736	50	40	AFGB