smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCCCc1cc(CCl)on1	39214380	MRSPNNOEVHXZNB-UHFFFAOYSA-N	173.643	2.756	50	30	AFGC	
C[C@@H](CN(C)C(=O)Cl)C1CCC1	885556981	CZRQCCBLWZMEMI-ZETCQYMHSA-N	189.686	2.713	50	30	AFGC	
Cc1ccsc1CCl	20077986	PMNASCXFSVTLTC-UHFFFAOYSA-N	146.642	2.795	50	30	AFGC	in-vitro
ClCc1c[nH]c(-c2cccs2)n1	62820700	JSDBHFNYPDDZCQ-UHFFFAOYSA-N	198.678	2.877	50	30	AFGC	in-vitro
ClC[C@@H]1C[C@H]2CC[C@H]1C2	250899440	AJUNCBWYYOFIGU-FXQIFTODSA-N	144.645	2.661	50	30	AFGC	
CP(F)(F)(F)F	100072000	QFEGXYDPCOLLIJ-UHFFFAOYSA-N	122.001	2.708	50	30	AFGC	
O=C=Nc1ccc(C(F)F)cc1	59071436	DKWICSHYDXWLBK-UHFFFAOYSA-N	169.130	2.592	50	30	AFGC	
C[C@@H](CBr)CC(F)F	213271667	YTECMPOOTPVUPA-SCSAIBSYSA-N	187.027	2.673	50	30	AFGC	
CCCCC[C@@H](C)C(=O)Cl	34255161	YKPOJBPJGIYSCL-SSDOTTSWSA-N	162.660	2.968	50	30	AFGC	
ClC[C@H]1C[C@H]2CC[C@H]1C2	104569250	AJUNCBWYYOFIGU-BIIVOSGPSA-N	144.645	2.661	50	30	AFGC	
C=C(C=O)[C@@H](C)Cc1ccccc1	141844662	PRDOJPUIJUBMLH-JTQLQIEISA-N	174.243	2.620	50	30	AFGC	
CC[C@@](C)(Cl)CCl	104716106	KVPMOKIQASUYOV-RXMQYKEDSA-N	141.041	2.633	50	30	AFGC	
CCN(C)c1ccc(CCl)cc1	37079098	SLQMXTWKDUNCOM-UHFFFAOYSA-N	183.682	2.882	50	30	AFGC	in-vitro
Fc1c(Cl)ccnc1CCl	95761855	KCUIPUHFEXEEMO-UHFFFAOYSA-N	180.009	2.613	50	30	AFGC	
CC(C)[C@H]1CC[C@@H](C)C[C@@H]1OO	113035168	OZTWDFWAMMUDHQ-BBBLOLIVSA-N	172.268	2.937	50	30	AFGC	
CC[P@@](=O)(Cl)c1ccccc1	100041999	IHJRCKILKAJAQT-NSHDSACASA-N	188.594	2.849	50	30	AFGC	
O=C(Cl)Cc1cc2ccccc2o1	38847170	ZKVGHBXQEGVOFH-UHFFFAOYSA-N	194.617	2.741	50	30	AFGC	
FC(F)c1cnccc1CCl	238560626	UVRDPEQHXGPAQK-UHFFFAOYSA-N	177.581	2.758	50	30	AFGC	
C[C@H](Cl)C(C)(C)Cl	2040412	TXTORVZCRUFBBO-BYPYZUCNSA-N	141.041	2.631	50	30	AFGC	
CC(C)[C@H]1C[C@@H]1O[Si](C)(C)C	196586858	YPKWATSZWICCNV-BDAKNGLRSA-N	172.344	2.882	50	30	AFGC	
C=C[C@H](Cl)C(Cl)Cl	196625974	VBNWUUIAAZFRAO-VKHMYHEASA-N	159.443	2.584	50	30	AFGC	
ClCCCCCCn1ccnc1	51018896	PSDPRPAUXHIXEJ-UHFFFAOYSA-N	186.686	2.682	50	30	AFGC	
COc1cccc([C@H](C)Cl)c1	20377744	YOANFEVQVLUDDA-ZETCQYMHSA-N	170.639	2.995	50	30	AFGC	in-vitro
CCC(Cl)(Cl)CCl	104722025	ORIUHEBKTCFXAP-UHFFFAOYSA-N	161.459	2.809	50	30	AFGC	
Cc1cc(C)c(C)c(N=C=O)c1C	6069748	QSABNASXRYPSQC-UHFFFAOYSA-N	175.231	2.888	50	30	AFGC	
C[C@@H](Cl)c1ccccc1[N+](=O)[O-]	20526334	BQXWCTXAXOSVLK-ZCFIWIBFSA-N	185.610	2.895	50	30	AFGC	
O=C(Cl)OCC1CCCCC1	31308401	AOQONNCNKUWWRI-UHFFFAOYSA-N	176.643	2.942	50	30	AFGC	in-vitro
CO[C@H](/C=C/C#N)c1ccc(C)cc1	38632762	XMFBINCYCMPLAO-AAOUONPWSA-N	187.242	2.762	50	30	AFGC	
C=C(CCl)COCc1ccccc1	38325236	CRKVLHUIFBDOSX-UHFFFAOYSA-N	196.677	2.998	50	30	AFGC	
O=C(Cl)N1CCCCCCC1	86889730	VREQKLXCRIQJRB-UHFFFAOYSA-N	175.659	2.611	50	30	AFGC	
Cc1cc(CCl)cs1	19754921	PKIGRYNBOCVOIW-UHFFFAOYSA-N	146.642	2.795	50	30	AFGC	in-vitro
O=C=Nc1cc2ccccc2s1	34622861	OLFUDAIDLACCQJ-UHFFFAOYSA-N	175.212	2.869	50	30	AFGC	in-vitro
C=C(C=O)[C@@H](C)c1ccccc1	21998741	XGDRYBAMXVBPEY-SNVBAGLBSA-N	160.216	2.545	50	30	AFGC	
COc1ccccc1CCCCl	19785259	IPJLXAZYIJLXHL-UHFFFAOYSA-N	184.666	2.867	50	30	AFGC	in-vitro
ClCC#Cc1ccccc1Cl	58076315	VYOPEAVPTIVEDT-UHFFFAOYSA-N	185.053	2.930	50	30	AFGC	
[C-]#[N+]CCc1ccc([N+]#[C-])cc1	95697980	CJFNRXVFUYUVSP-UHFFFAOYSA-N	156.188	2.699	50	30	AFGC	
CS[C@@H]1CCC[C@@H]1Cl	1661434	LVWFVSPXSSUHEE-NTSWFWBYSA-N	150.674	2.509	50	30	AFGC	
C=CC(C)(C)CCBr	196299305	YTLHGTZXTYNOKT-UHFFFAOYSA-N	177.085	2.984	50	30	AFGC	
CC1=C(c2ccccc2)[C@H]1C(=O)Cl	39056979	AMRHHKUSKGEMGM-JTQLQIEISA-N	192.645	2.855	50	30	AFGC	
CC/C=C\CC/C=C/C#N	33953674	DSOXXQLCMAEPEZ-ODYTWBPASA-N	135.210	2.813	50	30	AFGC	
Cc1cc(CCl)nc(C2CCC2)n1	83136579	RNIHXWSGVOBNKZ-UHFFFAOYSA-N	196.681	2.791	50	30	AFGC	
CCCCOOCCCC	59177520	PAOHAQSLJSMLAT-UHFFFAOYSA-N	146.230	2.535	50	30	AFGC	
FC(F)(CCCl)CCCl	238547260	NTYQPHZKBXMUAR-UHFFFAOYSA-N	177.021	2.880	50	30	AFGC	
F[C@H](CBr)C1CCCC1	257815598	DAFVISKPUVFIIE-SSDOTTSWSA-N	195.075	2.910	50	30	AFGC	
O=C=Nc1cc(F)ccc1CCl	33605512	CWTOOULKXVNDCB-UHFFFAOYSA-N	185.585	2.532	50	30	AFGC	
CC1(C)[C@@H](/C=C\Cl)[C@@H]1C(=O)Cl	39057003	CCUFFWLWKKMZKO-MDQSYURESA-N	193.073	2.777	50	30	AFGC	
BrC[C@@H]1CCC[C@H]2C[C@H]21	306173747	FTTUONRISBUUCU-BIIVOSGPSA-N	189.096	2.818	50	30	AFGC	
CC1(CBr)CC=CC1	575469035	UFRNDSJKAPYPFZ-UHFFFAOYSA-N	175.069	2.738	50	30	AFGC	
CC1(C)CC[C@@H]1Br	306364699	APADGWMBCYQUIY-YFKPBYRVSA-N	163.058	2.570	50	30	AFGC	
BrC[C@@H]1C[C@@H]2CCC[C@@H]21	667356375	XWWPXHZSDSNMSR-FXQIFTODSA-N	189.096	2.818	50	30	AFGC	
CC1(C)CC[C@H](Br)C1	87772830	DZLKAPWWSRNTTL-LURJTMIESA-N	177.085	2.960	50	30	AFGC	
CC(C)C[C@@H](C)OC(=O)Cl	33607525	DFDVWGPSPQCTBJ-ZCFIWIBFSA-N	164.632	2.796	50	30	AFGC	in-vitro
F[C@H]1CCC[C@H](CBr)C1	221415256	YBOJATNYGODPGI-BQBZGAKWSA-N	195.075	2.910	50	30	AFGC	
C[C@]12CC=C(C#N)[C@@]1(C)CC=C2C#N	4321551	DZZXUSSBCUOLDX-VXGBXAGGSA-N	184.242	2.706	50	30	AFGC	
F[C@@H]1CCCC[C@@H]1CBr	221415070	ZEQOHGNOGNSHGT-RNFRBKRXSA-N	195.075	2.910	50	30	AFGC	
Cl[C@H]1C=CCCCC1	137560608	QHHAXVILSBDMTD-ZETCQYMHSA-N	130.618	2.724	50	30	AFGC	
CCC(CC)(CCCl)C(=O)OC	238856814	XCSFWIFBUBZNMO-UHFFFAOYSA-N	192.686	2.595	50	30	AFGC	
C/C(C=O)=C(/Cl)c1ccccc1	32302981	KEAJNYRGWHUHDL-NTMALXAHSA-N	180.634	2.855	50	30	AFGC	
FC(F)(F)C1CC(Cl)C1	238555657	RRKYWVOSPNRELB-UHFFFAOYSA-N	158.550	2.566	50	30	AFGC	
Cc1ccc(CCl)cc1C#N	71624192	JNWIAEOOGOGDSU-UHFFFAOYSA-N	165.623	2.606	50	30	AFGC	in-vitro
CC[C@H](C)OC(=O)OO[C@H](C)CC	103840279	IKBVWGOHCLVYTA-JGVFFNPUSA-N	190.239	2.668	50	30	AFGC	
CC(=O)CCCCC(Cl)Cl	139139502	KYPFSKWQRLHXJQ-UHFFFAOYSA-N	183.078	2.940	50	30	AFGC	
Cl[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@H]21	257084801	NYPOWANMYCBCFP-GRDBIXFFSA-N	168.667	2.826	50	30	AFGC	
C[C@@H](CCl)C(C)(C)C	67739283	ZUIGQNGRMZCADY-LURJTMIESA-N	134.650	2.907	50	30	AFGC	in-vitro
C[C@H]1CCC[C@H](C(=O)Cl)C1	60283927	QTFYECBIEPDEDY-BQBZGAKWSA-N	160.644	2.578	50	30	AFGC	in-vitro
Cc1nccc(CCl)c1Cl	95761955	JNHHEBDWVDRIEF-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	in-vitro
F[C@H]1CCC[C@@H](CBr)C1	221415304	YBOJATNYGODPGI-RQJHMYQMSA-N	195.075	2.910	50	30	AFGC	
ClCC1=NO[C@@H](c2ccccc2)C1	34565997	NFPOZCYAWVJLAF-SNVBAGLBSA-N	195.649	2.743	50	30	AFGC	
CCC(C)(C)CBr	54711049	YEAAJBCWOAEKNF-UHFFFAOYSA-N	165.074	2.818	50	30	AFGC	in-vitro
CC(C)(C)CCC(=O)Cl	22114216	JJWZQJJEKFKGNZ-UHFFFAOYSA-N	148.633	2.578	50	30	AFGC	
Cc1cccc(F)c1CCl	88189746	GGJVGJOFFKFBTQ-UHFFFAOYSA-N	158.603	2.873	50	30	AFGC	
CC(C)[C@H]1CC[C@@H](C)/C1=C\C=O	100052450	PFIRWKIUFQHTJL-ZDQCJSPPSA-N	166.264	2.814	50	30	AFGC	
CC1(C)[C@@H](C(=O)Cl)[C@H]1/C=C\Cl	39057006	CCUFFWLWKKMZKO-BIVJQQCZSA-N	193.073	2.777	50	30	AFGC	
CN(CC1CCCCC1)C(=O)Cl	86894065	GZFSOAYFGZHYSW-UHFFFAOYSA-N	189.686	2.857	50	30	AFGC	
C[C@H]1CC[C@@H](CBr)C1	83822068	JCORFEUVKWJDFB-NKWVEPMBSA-N	177.085	2.818	50	30	AFGC	
Cc1cc(N=C=O)cc(C)c1C	141231277	QQNKCMRHDVWUIN-UHFFFAOYSA-N	161.204	2.579	50	30	AFGC	
C=C(Cl)CCCCl	104722068	USNTWHNVOCFREU-UHFFFAOYSA-N	139.025	2.758	50	30	AFGC	
FC(F)CCCCBr	137897989	PRJYYKITZGKQDH-UHFFFAOYSA-N	187.027	2.817	50	30	AFGC	
S=C=N[C@H]1CCOc2ccccc21	51987374	OQCVIJFYYMRDPP-VIFPVBQESA-N	191.255	2.613	50	30	AFGC	in-vitro
F[C@@H]1CCCC[C@H]1CBr	221414960	ZEQOHGNOGNSHGT-NKWVEPMBSA-N	195.075	2.910	50	30	AFGC	
BrC[C@@H]1CCC[C@@H]2C[C@@H]12	306173752	FTTUONRISBUUCU-GJMOJQLCSA-N	189.096	2.818	50	30	AFGC	
C=Cc1cccc(CBr)n1	1435934	DHBBDAPZQVATGR-UHFFFAOYSA-N	198.063	2.620	50	30	AFGC	
CC1(C)CC[C@@H](Br)C1	87772831	DZLKAPWWSRNTTL-ZCFIWIBFSA-N	177.085	2.960	50	30	AFGC	
COc1ccc(SCCl)cc1	39168779	GEOWMGXEZOADNA-UHFFFAOYSA-N	188.679	2.984	50	30	AFGC	in-vitro
CC(C)(C)c1cc(CCl)on1	34344030	LINYIIJIYSUIET-UHFFFAOYSA-N	173.643	2.711	50	30	AFGC	
S=C=N[C@@H]1CCOc2ccccc21	51987372	OQCVIJFYYMRDPP-SECBINFHSA-N	191.255	2.613	50	30	AFGC	in-vitro
CC(C)(CC(=O)Cl)C1CC1	238856863	XKTIYNREYBUBSW-UHFFFAOYSA-N	160.644	2.578	50	30	AFGC	
C=C[C@@H](Cl)C(Cl)Cl	196625985	VBNWUUIAAZFRAO-GSVOUGTGSA-N	159.443	2.584	50	30	AFGC	
C[C@@]1(Cl)CCC[C@H](C(=O)Cl)C1	39057095	CLFUOBIOGLHJPJ-POYBYMJQSA-N	195.089	2.940	50	30	AFGC	
C/C(=C\c1coc(C)n1)CCl	2507137	PFUSHYQBBWBEBF-ZZXKWVIFSA-N	171.627	2.625	50	30	AFGC	
C[C@@H](CCBr)C(F)F	213271753	AIWDMDQXJKVBDF-BYPYZUCNSA-N	187.027	2.673	50	30	AFGC	
O=C(CCl)C1(c2ccccc2)CC1	39055203	MVQXMDDZAGDRKI-UHFFFAOYSA-N	194.661	2.526	50	30	AFGC	
C[C@H]1C[C@H]1CCCBr	225652504	BWVKKNIRPUKSHD-NKWVEPMBSA-N	177.085	2.818	50	30	AFGC	
CCCCSCCl	39299291	VBAMXJBAGCVBGG-UHFFFAOYSA-N	138.663	2.716	50	30	AFGC	
COC(=O)c1ccc(CCl)cc1C	140717639	GYNLGFRPRGXSQD-UHFFFAOYSA-N	198.649	2.520	50	30	AFGC	
O=C=Nc1csc2c1CCCC2	307227960	GJYVUJLLUPXCFC-UHFFFAOYSA-N	179.244	2.594	50	30	AFGC	
O=C(F)C1(C(F)(F)F)CCCCC1	45792676	HGKXDBSOLOUSOM-UHFFFAOYSA-N	198.159	2.995	50	30	AFGC	
CC[P@](=O)(Cl)c1ccccc1	100041996	IHJRCKILKAJAQT-LLVKDONJSA-N	188.594	2.849	50	30	AFGC	
Fc1cscc1CBr	306608691	WSOQPYNGILVCJF-UHFFFAOYSA-N	195.056	2.782	50	30	AFGC	
O=C(CCCl)C1CCCCC1	31308894	XMGIRPAJBZYJDE-UHFFFAOYSA-N	174.671	2.765	50	30	AFGC	
C[C@H]1CCC[C@@H](C)N1CCCCl	39341550	VOGQZKPKCZDFBF-AOOOYVTPSA-N	189.730	2.878	50	30	AFGC	
COc1c(F)cc(CCl)cc1F	86895016	SFEWUKVNAMJIMW-UHFFFAOYSA-N	192.592	2.712	50	30	AFGC	in-vitro
Cl[C@@H]1C[C@H]2CC[C@@]1(Cl)C2	238563781	LLPWSPJWQKOHBM-FSDSQADBSA-N	165.063	2.775	50	30	AFGC	
F[C@H]1CC[C@@H](CBr)C1	950757502	LDZGRVGOHNAIGD-RITPCOANSA-N	181.048	2.520	50	30	AFGC	
CCCCSSc1ncc[nH]1	5114668	SBXVGBRRYUGRRZ-UHFFFAOYSA-N	188.321	2.950	50	30	AFGC	
CC(C)(C)OO[Si](C)(C)C	195764480	XTXFUQOLBKQKJU-UHFFFAOYSA-N	162.305	2.568	50	30	AFGC	
C=C(C)[C@@H](C)CBr	143133376	KHEGBTSWRVDATP-LURJTMIESA-N	163.058	2.594	50	30	AFGC	
CCC(=O)c1cccc(C(=O)Cl)c1	39057103	LRKNHTBZTCHJQJ-UHFFFAOYSA-N	196.633	2.658	50	30	AFGC	
FC(F)c1cc(CCl)ccn1	95763678	XXGUQFMOHMMJEK-UHFFFAOYSA-N	177.581	2.758	50	30	AFGC	
O=C=Nc1csc2ccccc12	38804461	YGEINYXQDXAXPD-UHFFFAOYSA-N	175.212	2.869	50	30	AFGC	
CC[C@@H](C)OOC(=O)O[C@H](C)CC	103840275	IKBVWGOHCLVYTA-HTQZYQBOSA-N	190.239	2.668	50	30	AFGC	
CCC[C@H](C)/C=C(\C)C=O	115446742	OHHBZXXERXNTNR-CYXIBPNKSA-N	140.226	2.568	50	30	AFGC	
F[C@@H](CBr)C1CCC1	257934649	UDFXKDIUSIJDSS-LURJTMIESA-N	181.048	2.520	50	30	AFGC	
C[C@@H]1CCC[C@@H](C(=O)Cl)C1	60283928	QTFYECBIEPDEDY-RNFRBKRXSA-N	160.644	2.578	50	30	AFGC	in-vitro
C[C@@H](CBr)C(C)(F)F	306709443	QZXGVAVCQATNEV-BYPYZUCNSA-N	187.027	2.673	50	30	AFGC	
CC1(C)C[C@H]1CCBr	575587311	LXAZXHGXMGGAAA-ZCFIWIBFSA-N	177.085	2.818	50	30	AFGC	
N#C/C(=C\c1ccccc1)C(=O)C1CC1	165468	FRCBMVSPGFJJAT-XYOKQWHBSA-N	197.237	2.573	50	30	AFGC	
ClC/C=C(\Cl)CCl	95831508	SXCATGXBSQWDDJ-RJRFIUFISA-N	159.443	2.587	50	30	AFGC	
Cc1cc(CCl)nc([C@H]2C[C@H]2C)n1	83810571	ZAKPQBWENXTQDN-MUWHJKNJSA-N	196.681	2.647	50	30	AFGC	
Cl[C@H]1C=CCC[C@@H]1Cl	100099473	XMRSWQWOEAGAPO-WDSKDSINSA-N	151.036	2.551	50	30	AFGC	
C[C@@H](Cc1ccccc1)N=C=S	5735314	AFKRLUUCCIMVQP-VIFPVBQESA-N	177.272	2.720	50	30	AFGC	
ClCCOC1CCCCC1	36883147	VYZWMCQGQWBCHS-UHFFFAOYSA-N	162.660	2.575	50	30	AFGC	
Oc1ncc(CCl)c2ccccc12	616582082	APHVZTLNMHVBKB-UHFFFAOYSA-N	193.633	2.679	50	30	AFGC	
C[C@H](CBr)CC(F)F	213271606	YTECMPOOTPVUPA-BYPYZUCNSA-N	187.027	2.673	50	30	AFGC	
C[C@H]1CC[C@H](Br)C1	70764235	RWMACSHFTGJPQM-WDSKDSINSA-N	163.058	2.570	50	30	AFGC	
C=C(C=O)[C@H](C)Cc1ccccc1	141844879	PRDOJPUIJUBMLH-SNVBAGLBSA-N	174.243	2.620	50	30	AFGC	
ClCOc1ccccc1Cl	3861214	OZSYCBNWWCXXJO-UHFFFAOYSA-N	177.030	2.915	50	30	AFGC	
N#CSc1ccc(Cl)cc1	5841858	AUQXBIOKBXZSPG-UHFFFAOYSA-N	169.636	2.913	50	30	AFGC	
CC1(C)[C@H]2CC[C@@H](C2)[C@H]1C(=O)Cl	256081419	MMJZYLSOVDKRTC-FXQIFTODSA-N	186.682	2.824	50	30	AFGC	
BrC[C@@H]1C=CCCC1	85856478	NRDIHSPUUCHBQG-SSDOTTSWSA-N	175.069	2.738	50	30	AFGC	
ClCc1noc2c1CCCCC2	87547784	VLFUDBLNXYNUBN-UHFFFAOYSA-N	185.654	2.682	50	30	AFGC	
CCCC[C@H](Cl)CCCO	5821878	MMVJPTKAKBJYGU-QMMMGPOBSA-N	164.676	2.557	50	30	AFGC	
O=C(Cl)C1C[C@@H]2CCC[C@H]2C1	39056358	RLEYOIPWSIZBKJ-BQBZGAKWSA-N	172.655	2.578	50	30	AFGC	
C=CC(Cl)(Cl)CCl	104737190	IRFIKENZBOBPCV-UHFFFAOYSA-N	159.443	2.585	50	30	AFGC	
CC(C)(C)C12CC(C(=O)Cl)(C1)C2	2265385203	PSXZSKXBOIEOTK-UHFFFAOYSA-N	186.682	2.968	50	30	AFGC	
CC(C)c1nocc1CCl	725241976	YPZDPWMGRJQPTH-UHFFFAOYSA-N	159.616	2.537	50	30	AFGC	
BrCC[C@@H]1C=CCC1	139512535	KFWJYXNSDXNDIQ-SSDOTTSWSA-N	175.069	2.738	50	30	AFGC	
C[C@H](c1ccccc1)[C@H](Cl)C#N	45626972	UCBPWBSLULXDQG-PSASIEDQSA-N	179.650	2.921	50	30	AFGC	
BrC[C@@H]1C[C@@H]2CCC[C@H]21	667356371	XWWPXHZSDSNMSR-BIIVOSGPSA-N	189.096	2.818	50	30	AFGC	
CC(C)OC(C)(C)CBr	149200376	PGUAOIBZVKHHJW-UHFFFAOYSA-N	195.100	2.585	50	30	AFGC	
CCCCOC(=O)O[C@@H](C)Cl	34077141	WQRYMQHLFDVPFS-LURJTMIESA-N	180.631	2.525	50	30	AFGC	in-vitro
C[C@@H](Cl)OC(=O)C1CCCCC1	34101489	HDROJQNEUPUFCP-ZETCQYMHSA-N	190.670	2.695	50	30	AFGC	
CCc1cc([C@@H](C)Cl)on1	39113048	HYBITPOIYITAHY-RXMQYKEDSA-N	159.616	2.537	50	30	AFGC	
CC/C=C/CCBr	62498503	HSNATJOWAYTBGM-ONEGZZNKSA-N	163.058	2.738	50	30	AFGC	in-vitro
CC(C)CCCC(=O)Cl	2578921	HLDHFOCXVJJMBT-UHFFFAOYSA-N	148.633	2.578	50	30	AFGC	
Cc1cc(Cl)cnc1CCl	95763795	ZCZWXCGYVMGMJU-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	
O=C=NCCc1cccc2ccccc12	33610966	PUZZJOQLEUZSGS-UHFFFAOYSA-N	197.237	2.718	50	30	AFGC	
O=[S@](Cl)c1ccccc1Cl	307130261	FPXJKFXNIRSFST-JTQLQIEISA-N	195.070	2.601	50	30	AFGC	
Cc1nc2ccc(CCl)cc2o1	238500218	CBYAUWHPOKFATJ-UHFFFAOYSA-N	181.622	2.875	50	30	AFGC	
CC(C)CO[P@@](C)(=O)Cl	135887718	UXUIKCHOYNLUID-SECBINFHSA-N	170.576	2.721	50	30	AFGC	
Cc1cc(C)c(CCl)c(C)n1	104688447	PJDSUUZCWBPRBX-UHFFFAOYSA-N	169.655	2.746	50	30	AFGC	in-vitro
ClC(Cl)c1ccccn1	59173591	FOXDMOFYUBDIFD-UHFFFAOYSA-N	162.019	2.558	50	30	AFGC	
CCC1(CBr)CCC1	85050792	DRMKRUZYXMRQRA-UHFFFAOYSA-N	177.085	2.962	50	30	AFGC	
ClC[C@@H]1[C@H]2CCCC[C@H]21	104720887	CQVNYAMKXRLNFC-JIGDXULJSA-N	144.645	2.661	50	30	AFGC	
CCC(C)(C)C(=O)OOC(C)(C)C	111406190	HFBIJLUEBFHPTH-UHFFFAOYSA-N	188.267	2.696	50	30	AFGC	
S=C=N[C@@H]1CCc2ccccc2C1	51632184	CPDCVJRPTNSVTC-LLVKDONJSA-N	189.283	2.647	50	30	AFGC	in-vitro
CCCC1CC(Br)C1	205827866	QFSZXDOMMYPRKG-UHFFFAOYSA-N	177.085	2.960	50	30	AFGC	
CC(C)(CCCCl)C(=O)Cl	149609428	XTABSUTXPAVCEE-UHFFFAOYSA-N	183.078	2.797	50	30	AFGC	
O=C(Cl)N1CCC2(CCC2)CC1	307226828	GDPNSBOPZVTDNH-UHFFFAOYSA-N	187.670	2.611	50	30	AFGC	
CC[C@H](C)OO[C@@H](C)CC	100274021	QAPLQMROVGLYLM-YUMQZZPRSA-N	146.230	2.532	50	30	AFGC	
CCSCCCBr	35321651	DIJPDNNMOKTSII-UHFFFAOYSA-N	183.114	2.525	50	30	AFGC	in-vitro
C=C(C)[C@H](C)CBr	196440295	KHEGBTSWRVDATP-ZCFIWIBFSA-N	163.058	2.594	50	30	AFGC	
C=C[C@@H](Cl)C(=O)c1ccc(C)cc1	39055200	BETZWSXQBLDBRK-SNVBAGLBSA-N	194.661	2.971	50	30	AFGC	
CC(C)(C)C[C@](O)(C#N)C(C)(C)C	95722733	SHIPOKUMIZNEHZ-NSHDSACASA-N	183.295	2.723	50	30	AFGC	
C[C@@H](CBr)C(F)(F)F	88189974	AANLYORBFNBDGG-VKHMYHEASA-N	190.990	2.580	50	30	AFGC	
CC1(C)[C@@H](/C=C\Cl)[C@H]1C(=O)Cl	39057008	CCUFFWLWKKMZKO-CREQNIJZSA-N	193.073	2.777	50	30	AFGC	
CC(C)(C)CCOCCl	86491246	UCENPNKAXBHGRR-UHFFFAOYSA-N	150.649	2.636	50	30	AFGC	
CCCC[C@H](CC)COC(=O)N=C=O	34185278	ROQZWKWJNFDKFL-VIFPVBQESA-N	199.250	2.675	50	30	AFGC	
CC[C@H](C)CCCl	78749906	NRLWLQUJUTWEJD-LURJTMIESA-N	120.623	2.661	50	30	AFGC	
Cc1cc(C)c(N=C=O)cc1C	2384711	MAIFYUSBGLFXDA-UHFFFAOYSA-N	161.204	2.579	50	30	AFGC	
FC1=CCCC[C@H]1Br	205051952	IBUGLMVSYPTGFM-RXMQYKEDSA-N	179.032	2.787	50	30	AFGC	
C[C@@H]1CC[C@@H](Br)C1	70764236	RWMACSHFTGJPQM-PHDIDXHHSA-N	163.058	2.570	50	30	AFGC	
Cc1nc2c(CCl)cccc2o1	306774282	JWWCWCYLRXAOEE-UHFFFAOYSA-N	181.622	2.875	50	30	AFGC	
O=C(Cl)c1ccsc1Cl	39056591	LRDQHLOUSVAHKR-UHFFFAOYSA-N	181.043	2.781	50	30	AFGC	
Cl[C@@H]1C=CCCCC1	137560550	QHHAXVILSBDMTD-SSDOTTSWSA-N	130.618	2.724	50	30	AFGC	
CCC(F)(F)CCCl	104723854	RZFJAIZLNWOQLI-UHFFFAOYSA-N	142.576	2.661	50	30	AFGC	
C[Si](C)(C)OCc1ccco1	195757826	XMYNYTWIFJIYBS-UHFFFAOYSA-N	170.284	2.631	50	30	AFGC	
ClCc1nc2c(s1)CCCC2	45205917	YBUKPTGFOMUVPX-UHFFFAOYSA-N	187.695	2.761	50	30	AFGC	
O=C=Nc1cccc2sccc12	107458702	MICYTEVCYSNGJQ-UHFFFAOYSA-N	175.212	2.869	50	30	AFGC	
CC(C)(C#N)CCCCCl	1654076	AZTKIEYLAXVQDQ-UHFFFAOYSA-N	159.660	2.945	50	30	AFGC	in-vitro
CCOc1ccc(N=C=O)cc1Cl	33506387	ZLCLNXPSGUUSBQ-UHFFFAOYSA-N	197.621	2.706	50	30	AFGC	
C[C@H](CCBr)C(F)F	213271807	AIWDMDQXJKVBDF-SCSAIBSYSA-N	187.027	2.673	50	30	AFGC	
CC[C@H](Cl)c1nc(C)c(C)o1	30678485	DOINISDXUBCXEV-ZETCQYMHSA-N	173.643	2.981	50	30	AFGC	
C[C@]1(Cl)CCC[C@H](C(=O)Cl)C1	39057094	CLFUOBIOGLHJPJ-XPUUQOCRSA-N	195.089	2.940	50	30	AFGC	
CC(C)CN(CC(C)C)C(=O)Cl	33506429	FPXIFEJHRVQGOJ-UHFFFAOYSA-N	191.702	2.959	50	30	AFGC	
F[C@@H](CBr)C1CCCC1	257815599	DAFVISKPUVFIIE-ZETCQYMHSA-N	195.075	2.910	50	30	AFGC	
ClCCCSCCCl	95679230	NXRPRUPNFDEDSY-UHFFFAOYSA-N	173.108	2.587	50	30	AFGC	
FC(F)c1ncc(CCl)s1	138273465	LEXQNQJPYQYNBG-UHFFFAOYSA-N	183.610	2.820	50	30	AFGC	
C/C(C=O)=C(/Cl)c1ccc(F)cc1	38635457	HMNBSALOXVFVGK-YFHOEESVSA-N	198.624	2.994	50	30	AFGC	
C/C(=C\C=O)CC[C@@H]1CC1(C)C	137383275	XDJUSHOTGROPMD-OLKPEBQYSA-N	166.264	2.958	50	30	AFGC	
O=C(Cl)[C@@]12CC[C@@H](C[C@H]1Cl)C2	32182595	FXNIVSHSURWTPM-SHYZEUOFSA-N	193.073	2.549	50	30	AFGC	
CC1(C)C(Br)C1(C)C	137790825	MVAYPRUMDAKCHH-UHFFFAOYSA-N	177.085	2.816	50	30	AFGC	
CCC/C=C/CBr	115008514	SGEUYXUPUOLFHQ-SNAWJCMRSA-N	163.058	2.738	50	30	AFGC	
C[C@H]1CCC[C@@H]1Br	49852936	PBTRPYSJSYFLRJ-WDSKDSINSA-N	163.058	2.570	50	30	AFGC	in-vitro
S=C=NP(Cl)Cl	111855914	LBDNLKMQPCCCPL-UHFFFAOYSA-N	159.965	2.794	50	30	AFGC	
F[C@@H]1CCC[C@@H](CBr)C1	221415195	YBOJATNYGODPGI-RNFRBKRXSA-N	195.075	2.910	50	30	AFGC	
Cc1cc(CCl)nc([C@@H]2C[C@@H]2C)n1	83810568	ZAKPQBWENXTQDN-IMTBSYHQSA-N	196.681	2.647	50	30	AFGC	
CC(C)(F)CCBr	212367509	JSWSQYDSEJVBBZ-UHFFFAOYSA-N	169.037	2.520	50	30	AFGC	
CCc1cc([C@H](C)Cl)on1	39113049	HYBITPOIYITAHY-YFKPBYRVSA-N	159.616	2.537	50	30	AFGC	
O=C(Cl)N1CCCC2(CC1)CC2	885516041	MHRFMCGMOIVWDX-UHFFFAOYSA-N	187.670	2.611	50	30	AFGC	
COc1cccc(O[Si](C)(C)C)c1	195781649	NYDBBTZNZLWXEP-UHFFFAOYSA-N	196.322	2.909	50	30	AFGC	
BrCC/C=C/C1CC1	2003975	KFBVGNXBGNALRF-HNQUOIGGSA-N	175.069	2.738	50	30	AFGC	
O=C(Cl)C12CC(C34CC(C3)C4)(C1)C2	39057046	WWCMYKNTMNWNPF-UHFFFAOYSA-N	196.677	2.722	50	30	AFGC	
ClCc1nccn1-c1ccccc1	11730749	HRIURVRHBIKWAK-UHFFFAOYSA-N	192.649	2.611	50	30	AFGC	in-vitro
Br[C@H]1C=CC=CC=CC1	96332333	CJZXWYXQEJTDRN-QMMMGPOBSA-N	185.064	2.822	50	30	AFGC	
COc1cccc([C@@H](C)Cl)c1	20377740	YOANFEVQVLUDDA-SSDOTTSWSA-N	170.639	2.995	50	30	AFGC	in-vitro
BrC[C@@H]1CCC[C@H]2C[C@@H]21	306173751	FTTUONRISBUUCU-FXQIFTODSA-N	189.096	2.818	50	30	AFGC	
C=C(C=O)[C@H](C)CC(C)(C)C	6036129	WKYDOWGZVLXESO-MRVPVSSYSA-N	154.253	2.814	50	30	AFGC	
Cc1cc([N+](=O)[O-])ccc1CCl	117237086	QFPLKRIDNNZNIA-UHFFFAOYSA-N	185.610	2.642	50	30	AFGC	
C=C(C=O)[C@H](C)c1ccccc1	21998738	XGDRYBAMXVBPEY-JTQLQIEISA-N	160.216	2.545	50	30	AFGC	
Cc1c(C(=O)Cl)[nH]c2ccccc12	45792642	AAAGLYCYJAGXCF-UHFFFAOYSA-N	193.633	2.855	50	30	AFGC	
ClCCCC(Cl)Cl	104732400	RDCXWDUHESIPFX-UHFFFAOYSA-N	161.459	2.809	50	30	AFGC	
CC(F)(F)CCCBr	213271898	SZVUEQGTCRCKPV-UHFFFAOYSA-N	187.027	2.817	50	30	AFGC	
CC1(CCBr)CC1	307178125	IWXAQJREQAMFSH-UHFFFAOYSA-N	163.058	2.572	50	30	AFGC	
C[C@]1(Cl)CCC[C@@H](C(=O)Cl)C1	39057096	CLFUOBIOGLHJPJ-SVRRBLITSA-N	195.089	2.940	50	30	AFGC	
C=C(O[Si](C)(C)C)C1CC1	195806416	RNUBNNOJHWDSIX-UHFFFAOYSA-N	156.301	2.762	50	30	AFGC	
F[C@@H]1CC[C@@H](CBr)C1	950757501	LDZGRVGOHNAIGD-PHDIDXHHSA-N	181.048	2.520	50	30	AFGC	
C[C@H]1CCCC[C@H]1Br	1699954	KWQRRNDZNAXRGO-NKWVEPMBSA-N	177.085	2.960	50	30	AFGC	
Cc1ccc(SC#N)cc1	1095293	VDURJIGQVKMELT-UHFFFAOYSA-N	149.218	2.568	50	30	AFGC	
CCCC[C@@H](CC)COC(=O)N=C=O	34185276	ROQZWKWJNFDKFL-SECBINFHSA-N	199.250	2.675	50	30	AFGC	
CC1(C)CCC(C(=O)Cl)CC1	39056428	ZZZNOUIVXGCQBY-UHFFFAOYSA-N	174.671	2.968	50	30	AFGC	
COc1ccc(CCl)cc1C(C)=O	238388395	OYMXYNZVCZHJIA-UHFFFAOYSA-N	198.649	2.637	50	30	AFGC	
O=C(Cl)n1ccc2ccccc21	39056550	XWTPYIJTWSSVOY-UHFFFAOYSA-N	179.606	2.848	50	30	AFGC	
CSC1=C(C(=O)Cl)CCC1	39056578	WCZNENQRKGMKRB-UHFFFAOYSA-N	176.668	2.553	50	30	AFGC	
C[Si](C)(C)OC1=CC[C@@H](C=O)CC1	196058908	WVNCNMOJNGBSOP-SECBINFHSA-N	198.338	2.721	50	30	AFGC	
CC(C)[C@@H]1C[C@H]1O[Si](C)(C)C	196586869	YPKWATSZWICCNV-DTWKUNHWSA-N	172.344	2.882	50	30	AFGC	
C[C@@H]1CCC[C@@H]1Br	49852935	PBTRPYSJSYFLRJ-RITPCOANSA-N	163.058	2.570	50	30	AFGC	in-vitro
CCOC(=O)CC(C)(C)CCCl	37594004	ZDPWQLGEPYDHGV-UHFFFAOYSA-N	192.686	2.595	50	30	AFGC	
CCc1ccc([N+](=O)[O-])cc1CCl	39216057	WZDFOTBBBHGNCZ-UHFFFAOYSA-N	199.637	2.896	50	30	AFGC	
CCCCCn1ccnc1CCl	45205639	NGCOIAHUCRFRMU-UHFFFAOYSA-N	186.686	2.812	50	30	AFGC	
C[C@H]1CCCC[C@@H]1Br	1699956	KWQRRNDZNAXRGO-BQBZGAKWSA-N	177.085	2.960	50	30	AFGC	
CC/C=C\CCBr	95919506	HSNATJOWAYTBGM-ARJAWSKDSA-N	163.058	2.738	50	30	AFGC	
Cl[C@@H]1C[C@H]2C[C@H]1[C@@H]1CC=C[C@@H]21	257084802	NYPOWANMYCBCFP-MQIGXGKASA-N	168.667	2.826	50	30	AFGC	
CC1(C(=O)CCl)CCCCC1	39054871	DXFMUUUUBKYIFE-UHFFFAOYSA-N	174.671	2.765	50	30	AFGC	
Cn1ccc2ccc(CCl)cc21	299889683	NAMHWXLWRTZUAR-UHFFFAOYSA-N	179.650	2.917	50	30	AFGC	
BrC[C@@H]1C[C@H]2CCC[C@@H]12	667356377	XWWPXHZSDSNMSR-GJMOJQLCSA-N	189.096	2.818	50	30	AFGC	
C=C(C)[C@@H]1C=C[C@@](C)(OO)CC1	44416749	LCOVCELWSKTKHX-NXEZZACHSA-N	168.236	2.777	50	30	AFGC	biogenic,in-vitro
F[C@H]1CCCC[C@H]1CBr	221414904	ZEQOHGNOGNSHGT-BQBZGAKWSA-N	195.075	2.910	50	30	AFGC	
BrC[C@@H]1CC[C@@H]2C[C@@H]2C1	307526683	FIQSEPYBWIUITF-PRJMDXOYSA-N	189.096	2.818	50	30	AFGC	
CCCCO[Si](C)(C)C	195781330	YTJUXOIAXOQWBV-UHFFFAOYSA-N	146.306	2.638	50	30	AFGC	
OCCC#CCCCCCCCl	5113126	LWJWRDWOFZCMDJ-UHFFFAOYSA-N	188.698	2.562	50	30	AFGC	
FC(F)C1(CBr)CCC1	584879998	KPSVVNHTVFNYMB-UHFFFAOYSA-N	199.038	2.817	50	30	AFGC	
SSCc1ccccc1	6096484	NSBVMRLTDBAOBT-UHFFFAOYSA-N	156.275	2.765	50	30	AFGC	
C[Si](C)(C)OC1=CC[C@H](C=O)CC1	196058897	WVNCNMOJNGBSOP-VIFPVBQESA-N	198.338	2.721	50	30	AFGC	
C[C@H]1CCC[C@H](C)N1CCCCl	39341551	VOGQZKPKCZDFBF-UWVGGRQHSA-N	189.730	2.878	50	30	AFGC	
C[C@@H](c1ccccc1)[C@@H](Cl)C#N	45626973	UCBPWBSLULXDQG-WPRPVWTQSA-N	179.650	2.921	50	30	AFGC	
CC(C)[C@@H](C)CBr	69688153	CNNUHHAUPSXEKI-LURJTMIESA-N	165.074	2.673	50	30	AFGC	
O=C(Cl)C12CCC(F)(CC1)CC2	39056894	FIOXEBNOHRTYTC-UHFFFAOYSA-N	190.645	2.814	50	30	AFGC	
O=C=Nc1c(F)cc(Cl)cc1F	142867737	OFUWAMVXZFVMCG-UHFFFAOYSA-N	189.548	2.586	50	30	AFGC	
FC1=CCCC[C@@H]1Br	205051962	IBUGLMVSYPTGFM-YFKPBYRVSA-N	179.032	2.787	50	30	AFGC	
Oc1ccc2nc(CCl)sc2c1	238673396	IBUIDRFLSZVOQB-UHFFFAOYSA-N	199.662	2.741	50	30	AFGC	
C=CCNc1cccc(C(=O)Cl)c1	39057028	ZMBAUJAZVVCEDX-UHFFFAOYSA-N	195.649	2.664	50	30	AFGC	
CC(C)CO[P@](C)(=O)Cl	135887681	UXUIKCHOYNLUID-VIFPVBQESA-N	170.576	2.721	50	30	AFGC	
Cc1ccccc1CCCl	1705423	IPQIQERVBHGGCH-UHFFFAOYSA-N	154.640	2.776	50	30	AFGC	
C[C@H]1CCC[C@H]1Br	49852938	PBTRPYSJSYFLRJ-NTSWFWBYSA-N	163.058	2.570	50	30	AFGC	in-vitro
CC(C)(C)c1nc(CCl)co1	58518593	JMIGYIRQBGPJLG-UHFFFAOYSA-N	173.643	2.711	50	30	AFGC	
C[C@@H]1CCCC[C@@H]1Br	1699957	KWQRRNDZNAXRGO-RQJHMYQMSA-N	177.085	2.960	50	30	AFGC	
O=C(Cl)[C@H]1C=Cc2ccccc2C1	39057019	XHGYRZPAIAJUIP-JTQLQIEISA-N	192.645	2.638	50	30	AFGC	
CCCCC[C@H](C)C(=O)Cl	2578916	YKPOJBPJGIYSCL-ZETCQYMHSA-N	162.660	2.968	50	30	AFGC	
BrCCC1CCC1	83822332	LGUPKKDAPJQUOD-UHFFFAOYSA-N	163.058	2.572	50	30	AFGC	in-vitro
O=C(Cl)[C@@]12CC[C@@H](C[C@@H]1Cl)C2	32182597	FXNIVSHSURWTPM-VMHSAVOQSA-N	193.073	2.549	50	30	AFGC	
Cc1cnc(Cl)cc1CCl	95761954	HHXTWNYOJVJJMI-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	
Cc1cc(F)cc(CCl)c1	95761189	GZLORWOPTSRAHM-UHFFFAOYSA-N	158.603	2.873	50	30	AFGC	
CC1=CC[C@H](/C(C)=C/C=O)CC1	34479042	BTXNXZUCBAQIAS-HUYFXPKMSA-N	164.248	2.878	50	30	AFGC	
Fc1nc(Cl)ccc1CCl	149041904	YOXQOPVYWNILET-UHFFFAOYSA-N	180.009	2.613	50	30	AFGC	
C[C@@H]1CCC[C@H]1Br	49852937	PBTRPYSJSYFLRJ-PHDIDXHHSA-N	163.058	2.570	50	30	AFGC	in-vitro
CC[C@H]1CC[C@H](Br)C1	80469450	PYOOXGSOOVLRFO-BQBZGAKWSA-N	177.085	2.960	50	30	AFGC	
Cc1cc(CCl)nc([C@H]2C[C@@H]2C)n1	83810569	ZAKPQBWENXTQDN-RCOVLWMOSA-N	196.681	2.647	50	30	AFGC	
Cc1cccc(N=C=O)c1Cl	39407447	DXYBXUDLZCMXCD-UHFFFAOYSA-N	167.595	2.616	50	30	AFGC	in-vitro
FC1(F)CCC[C@H]1CBr	307571851	FFWXCJWERGLFME-YFKPBYRVSA-N	199.038	2.817	50	30	AFGC	
C=CCC(C)(C)CBr	139984861	NZQONOFBCJGOEI-UHFFFAOYSA-N	177.085	2.984	50	30	AFGC	
COC(C)(C)CCCBr	306175191	MKHZXXCTUDSWGH-UHFFFAOYSA-N	195.100	2.587	50	30	AFGC	
O=C(CCl)CCCCCCl	206213202	FOUXBRHSPNDRKS-UHFFFAOYSA-N	183.078	2.594	50	30	AFGC	
COc1ccccc1[C@@H](C)Cl	20377764	UIXXSMPGNUPHSA-SSDOTTSWSA-N	170.639	2.995	50	30	AFGC	
CC1(CCCBr)CC1	685945745	LVLNWGPSBXDEFW-UHFFFAOYSA-N	177.085	2.962	50	30	AFGC	
C=C[C@@H](C)[C@H](C)/C=C(\C)C=O	135976899	JPZHEFRWMYVYQE-IZRRHEBBSA-N	152.237	2.590	50	30	AFGC	
Cc1csc(CCl)c1	95762217	XKMDFUUIIQBBAH-UHFFFAOYSA-N	146.642	2.795	50	30	AFGC	
CC[C@@H](Cl)c1nc(C)c(C)o1	30678483	DOINISDXUBCXEV-SSDOTTSWSA-N	173.643	2.981	50	30	AFGC	
N#Cc1cc(Cl)cc(CCl)c1	95763914	LDWHVGFJIZPZDC-UHFFFAOYSA-N	186.041	2.950	50	30	AFGC	
CC/C=C/CC/C=C/C#N	5761868	DSOXXQLCMAEPEZ-DYWGDJMRSA-N	135.210	2.813	50	30	AFGC	
F[C@H](CBr)C1CCC1	257934651	UDFXKDIUSIJDSS-ZCFIWIBFSA-N	181.048	2.520	50	30	AFGC	
CC(C)[C@H]1C[C@H]1O[Si](C)(C)C	196586881	YPKWATSZWICCNV-RKDXNWHRSA-N	172.344	2.882	50	30	AFGC	
Fc1cscc1CCl	307438419	TZEKRBAGZVHEEI-UHFFFAOYSA-N	150.605	2.626	50	30	AFGC	
COc1ccc(F)c(CCl)c1F	75925857	KQMSIURJCCAQDL-UHFFFAOYSA-N	192.592	2.712	50	30	AFGC	
C[C@H](c1ccccc1)[C@@H](Cl)C#N	45626974	UCBPWBSLULXDQG-SCZZXKLOSA-N	179.650	2.921	50	30	AFGC	
CCC(CC)n1ccc(CCl)n1	82159750	KCHJDAKWYFDXAS-UHFFFAOYSA-N	186.686	2.983	50	30	AFGC	in-vitro
C/C(C=O)=C\c1ccc(F)cc1F	86208099	IZGWEPLFVQTAJT-QPJJXVBHSA-N	182.169	2.567	50	30	AFGC	
CC1=C/C(=C/C=O)CC(C)(C)C1	45202064	ZZKQGFSKJRUVOL-WMZJFQQLSA-N	164.248	2.878	50	30	AFGC	
Cc1nc2cccc(CCl)c2o1	307119546	ZRXMMIZJXQCTQL-UHFFFAOYSA-N	181.622	2.875	50	30	AFGC	
CC[C@H](C)OOC(=O)O[C@@H](C)CC	103840271	IKBVWGOHCLVYTA-YUMQZZPRSA-N	190.239	2.668	50	30	AFGC	
Cc1ccc2nc(CCl)[nH]c2c1F	238534793	IMHWBBVYADKSEF-UHFFFAOYSA-N	198.628	2.749	50	30	AFGC	
Cc1cc(C(Cl)Cl)ccn1	100289233	XUXUDBIYVFLVCC-UHFFFAOYSA-N	176.046	2.866	50	30	AFGC	
O=C/C=C/S(F)(F)(F)(F)F	307315219	WYTSPUWKYKISPF-HNQUOIGGSA-N	182.113	2.998	50	30	AFGC	
C=C(C=O)[C@@H](C)CC(C)(C)C	6020389	WKYDOWGZVLXESO-QMMMGPOBSA-N	154.253	2.814	50	30	AFGC	
C=CC[C@H](Br)CC	114052936	GNQKXXPCKOEGKS-ZCFIWIBFSA-N	163.058	2.736	50	30	AFGC	
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1OO	60301002	OZTWDFWAMMUDHQ-KXUCPTDWSA-N	172.268	2.937	50	30	AFGC	
C=C(C)[C@@H]1C=C[C@](C)(OO)CC1	44387979	LCOVCELWSKTKHX-ZJUUUORDSA-N	168.236	2.777	50	30	AFGC	biogenic,in-vitro
CCCCCC(C)(C)OO	100058705	UVALTZBZKMZQMM-UHFFFAOYSA-N	146.230	2.835	50	30	AFGC	
Cl[C@@H]1C=CCC[C@H]1Cl	100099471	XMRSWQWOEAGAPO-PHDIDXHHSA-N	151.036	2.551	50	30	AFGC	
CC(C)(C)[C@@H]1C[C@H]1Br	138154618	TZLAVHKVJGZQJP-PHDIDXHHSA-N	177.085	2.816	50	30	AFGC	
S=C(Cl)c1ccccc1	34278574	MNUYNGXMQRGJSJ-UHFFFAOYSA-N	156.637	2.601	50	30	AFGC	
CC(C)(C)OCCCBr	36723993	ZEABOJSSUMGQAH-UHFFFAOYSA-N	195.100	2.587	50	30	AFGC	in-vitro
F[C@@H]1CCC[C@H](CBr)C1	221415142	YBOJATNYGODPGI-NKWVEPMBSA-N	195.075	2.910	50	30	AFGC	
CCCc1nc(C)c(CCl)o1	238225920	IECCZCMVYLINDR-UHFFFAOYSA-N	173.643	2.674	50	30	AFGC	in-vitro
Cl[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@@H]12	257084800	NYPOWANMYCBCFP-FHNUBNKASA-N	168.667	2.826	50	30	AFGC	
ClCc1cccc2ncccc12	34342593	JTKZZLUDODJKRF-UHFFFAOYSA-N	177.634	2.974	50	30	AFGC	in-vitro
[N-]=[N+]=Nc1cncc(CCl)c1	95757515	DKYGGGBESFUQAA-UHFFFAOYSA-N	168.587	2.762	50	30	AFGC	
C=CCC(Br)CC=C	118127902	DATMXJZVRMAEML-UHFFFAOYSA-N	175.069	2.902	50	30	AFGC	
CC[C@](C)(Cl)CCl	104716100	KVPMOKIQASUYOV-YFKPBYRVSA-N	141.041	2.633	50	30	AFGC	
FC1(F)CCC[C@@H]1CBr	307571850	FFWXCJWERGLFME-RXMQYKEDSA-N	199.038	2.817	50	30	AFGC	
C[C@H](Cc1ccccc1)C(=O)Cl	11977368	OWAWAFKVPTWIBP-MRVPVSSYSA-N	182.650	2.631	50	30	AFGC	in-vitro
ClCc1cnoc1-c1ccco1	83255202	VTGAINCDPMLXTM-UHFFFAOYSA-N	183.594	2.673	50	30	AFGC	
O=C(Cl)C1CC(C2CCC2)C1	39056391	MIMKAPUGSLTZFR-UHFFFAOYSA-N	172.655	2.578	50	30	AFGC	
BrCC[C@@H]1C[C@H]1C1CC1	237982092	RBLRGZIBVFJYMW-SFYZADRCSA-N	189.096	2.818	50	30	AFGC	
C[C@H]1C[C@@H]1CCCBr	225652448	BWVKKNIRPUKSHD-BQBZGAKWSA-N	177.085	2.818	50	30	AFGC	
CC(C)(C)[Si](C)(C)OCCS	196837100	PZBCENUAPNTHEM-UHFFFAOYSA-N	192.400	2.938	50	30	AFGC	
CCC(CC)(CC)C(=O)Cl	22112705	MUXPPYATEKVUBJ-UHFFFAOYSA-N	162.660	2.968	50	30	AFGC	
O=C(Cl)c1cc(Cl)c(Cl)[nH]1	45792761	PPSWZJHCQVLQPQ-UHFFFAOYSA-N	198.436	2.701	50	30	AFGC	
C[C@H](CBr)C(C)(F)F	306709445	QZXGVAVCQATNEV-SCSAIBSYSA-N	187.027	2.673	50	30	AFGC	
BrCC[C@H]1C=CCC1	142410405	KFWJYXNSDXNDIQ-ZETCQYMHSA-N	175.069	2.738	50	30	AFGC	
BrCC1CC2(CC2)C1	409429715	DJGXLDULLPOTAL-UHFFFAOYSA-N	175.069	2.572	50	30	AFGC	
C[C@H]1CC[C@H](CBr)C1	83822065	JCORFEUVKWJDFB-BQBZGAKWSA-N	177.085	2.818	50	30	AFGC	
F[C@H]1CC[C@H](CBr)C1	950757503	LDZGRVGOHNAIGD-WDSKDSINSA-N	181.048	2.520	50	30	AFGC	
C=CC[C@@H](Br)CC	114052938	GNQKXXPCKOEGKS-LURJTMIESA-N	163.058	2.736	50	30	AFGC	
O=C(Cl)[C@@H]1C[C@H]1c1ccc(F)cc1	34480765	QLMYVJCJGFUQIQ-DTWKUNHWSA-N	198.624	2.695	50	30	AFGC	
BrC[C@@H]1CC[C@H]2C[C@H]2C1	307526673	FIQSEPYBWIUITF-GJMOJQLCSA-N	189.096	2.818	50	30	AFGC	
ClCc1ncccc1C1CC1	238525194	DGSRZDIQYMJXFR-UHFFFAOYSA-N	167.639	2.698	50	30	AFGC	
CP(Cl)c1ccccc1	100064170	JEPQKKGNKYPFIZ-UHFFFAOYSA-N	158.568	2.577	50	30	AFGC	
FC(F)c1ccc(CCl)cn1	95763677	JBPXSGWUPDDVKC-UHFFFAOYSA-N	177.581	2.758	50	30	AFGC	
C[C@@H]1CCCC[C@H]1Br	1699955	KWQRRNDZNAXRGO-RNFRBKRXSA-N	177.085	2.960	50	30	AFGC	
Cc1ncsc1CCCCl	1999297	HMKQACOWZYBTIW-UHFFFAOYSA-N	175.684	2.623	50	30	AFGC	in-man
CC(C)SCCCBr	37684831	MWWYDQYYQZRMMF-UHFFFAOYSA-N	197.141	2.913	50	30	AFGC	
Fc1ccc2c(CCCl)noc2c1	238620354	IUIMCOKHDFNCIY-UHFFFAOYSA-N	199.612	2.748	50	30	AFGC	
Cc1nn(C(C)C)cc1CCl	85018098	RSHIUWWVGPKKAX-UHFFFAOYSA-N	172.659	2.511	50	30	AFGC	
CCP(=O)(CC)CCl	95348283	GETIAASJCRSGDZ-UHFFFAOYSA-N	154.577	2.586	50	30	AFGC	in-vitro
Br[C@@H]1C=CC=CC=CC1	100065251	CJZXWYXQEJTDRN-MRVPVSSYSA-N	185.064	2.822	50	30	AFGC	
CC(C)(C)Oc1cccc(CCl)n1	51042890	RZTDOXMYXZBOJT-UHFFFAOYSA-N	199.681	2.998	50	30	AFGC	in-vitro
FP(F)n1cccc1	111350162	NJQZVNMKZXPLEC-UHFFFAOYSA-N	135.053	2.502	50	30	AFGC	
O=C1CC(c2ccc(CCl)cc2)C1	238529270	RXJWLPLPYBBPQG-UHFFFAOYSA-N	194.661	2.872	50	30	AFGC	
C/C(C=O)=C(\Cl)c1cccs1	96308261	DEJITVOMCFNCDM-SOFGYWHQSA-N	186.663	2.917	50	30	AFGC	
S=C=NCC1(c2ccccc2)CC1	33606553	LOQAGKKIXWJZSJ-UHFFFAOYSA-N	189.283	2.821	50	30	AFGC	
CC[C@H](C)OO[C@H](C)CC	100274018	QAPLQMROVGLYLM-OCAPTIKFSA-N	146.230	2.532	50	30	AFGC	
C=C(O[Si](C)(C)C)c1cccnc1	196814015	SOEPFBVJGNYWJD-UHFFFAOYSA-N	193.322	2.904	50	30	AFGC	
COCc1ccc(CCl)cc1	82152079	WUJBAZISHDJJRL-UHFFFAOYSA-N	170.639	2.572	50	30	AFGC	in-vitro
C[C@@H]1SS[C@@H](C)S1	2015032	HFRUNLRFNNTTPQ-IMJSIDKUSA-N	152.309	2.807	50	30	AFGC	endogenous,in-man
O=C(Cl)OCCc1ccccc1	34767816	DKULSTMKCYRQCP-UHFFFAOYSA-N	184.622	2.605	50	30	AFGC	in-vitro
O=C(CC1CCCCC1)OCCl	36475124	AKJJZVNFZRSROB-UHFFFAOYSA-N	190.670	2.696	50	30	AFGC	in-vitro
F[C@H]1CCCC[C@@H]1CBr	221415019	ZEQOHGNOGNSHGT-RQJHMYQMSA-N	195.075	2.910	50	30	AFGC	
Cc1ccc(F)c(CCl)c1	52998389	NRDFOZDHNQKLOO-UHFFFAOYSA-N	158.603	2.873	50	30	AFGC	in-vitro
C1SSCC12CSSC2	1674075	FVXQRBBSEYXNFI-UHFFFAOYSA-N	196.387	2.763	50	30	AFGC	
CC[C@@H](C)OO[C@H](C)CC	100274023	QAPLQMROVGLYLM-HTQZYQBOSA-N	146.230	2.532	50	30	AFGC	
CC1(C)[C@H](/C=C\Cl)[C@H]1C(=O)Cl	39057007	CCUFFWLWKKMZKO-KJGOGWGYSA-N	193.073	2.777	50	30	AFGC	
ClCc1cnc(-c2ccccc2)[nH]1	34115991	OFAQOQOKFYLZIS-UHFFFAOYSA-N	192.649	2.816	50	30	AFGC	
CN(C(=O)Cl)c1ccc(F)cc1	86894199	FHBDZQWYXALRHT-UHFFFAOYSA-N	187.601	2.621	50	30	AFGC	in-vitro
CC[C@H]1CCCCN1C(=O)Cl	62466302	RDCXIJZCLMDYLF-ZETCQYMHSA-N	175.659	2.610	50	30	AFGC	
ClC(Cl)Oc1ccccc1	1559022	JFCMAIACBGBZRX-UHFFFAOYSA-N	177.030	2.827	50	30	AFGC	
CC1=C[C@@H]2[C@H](C(=O)Cl)[C@]2(C)CC1	5767416	FIGFUHYDKWUBQU-NQMVMOMDSA-N	184.666	2.744	50	30	AFGC	
C[C@@H](Cl)C(C)(C)Cl	2040413	TXTORVZCRUFBBO-SCSAIBSYSA-N	141.041	2.631	50	30	AFGC	
COc1ccccc1[C@H](C)Cl	20377768	UIXXSMPGNUPHSA-ZETCQYMHSA-N	170.639	2.995	50	30	AFGC	
C[C@@H](C#N)c1cccc(C(=O)Cl)c1	33506677	XXQNFMGCPMJJSJ-ZETCQYMHSA-N	193.633	2.693	50	30	AFGC	
Br[C@H]1C=CCCCC1	81948552	ZKGXAEJNBLJUQF-ZETCQYMHSA-N	175.069	2.880	50	30	AFGC	
CC(C)(CCl)CCCl	104724072	KMPYOUUNAVKBPY-UHFFFAOYSA-N	155.068	2.880	50	30	AFGC	
Cc1ccc(CCl)c(Cl)n1	140928822	RAUCGVCCODJPPW-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	in-vitro
O=C(Cl)OCCCc1ccccc1	144266625	ZKXHIDNLCFLSRP-UHFFFAOYSA-N	198.649	2.995	50	30	AFGC	
C[C@@H]1CCC[C@H](C(=O)Cl)C1	60283926	QTFYECBIEPDEDY-RQJHMYQMSA-N	160.644	2.578	50	30	AFGC	in-vitro
C=C[C@H](Cl)C(=O)c1ccc(C)cc1	39055201	BETZWSXQBLDBRK-JTQLQIEISA-N	194.661	2.971	50	30	AFGC	
Cc1c(CCl)noc1C1CC1	87547793	OHYQKCPQXQADNY-UHFFFAOYSA-N	171.627	2.599	50	30	AFGC	
CN(CCc1ccccc1)C(=O)Cl	39618985	AXBNTEGGAZAVNJ-UHFFFAOYSA-N	197.665	2.520	50	30	AFGC	
CC[C@H]1CC[C@@H](Br)C1	80469459	PYOOXGSOOVLRFO-NKWVEPMBSA-N	177.085	2.960	50	30	AFGC	
C=C(C)[C@H]1C=C[C@@](C)(OO)CC1	86034290	LCOVCELWSKTKHX-VHSXEESVSA-N	168.236	2.777	50	30	AFGC	in-vitro
CC(=O)c1ccc(CCl)cc1	82159278	GAECNRSTNDHUBE-UHFFFAOYSA-N	168.623	2.628	50	30	AFGC	
O=C(Cl)N1CCCc2ccccc21	34100969	KRGMMKVSHXVQCM-UHFFFAOYSA-N	195.649	2.798	50	30	AFGC	
CC1=C(C)CP(=O)(Cl)C1	136944612	HKIAGGYDFDNENV-UHFFFAOYSA-N	164.572	2.853	50	30	AFGC	
CC(F)(F)c1cc(CCl)no1	144984090	ZQDLNJRVGKXAES-UHFFFAOYSA-N	181.569	2.525	50	30	AFGC	
O=C=NC1(c2ccc(Cl)cc2)CC1	39241683	MICJRBRRXHOBFQ-UHFFFAOYSA-N	193.633	2.665	50	30	AFGC	
FC(F)(F)/C(Cl)=C/CCl	83309377	RVSSLUWZDPLQCP-IWQZZHSRSA-N	178.968	2.910	50	30	AFGC	
COCc1ccccc1CCl	83821950	SOIOGAVOOYZHRH-UHFFFAOYSA-N	170.639	2.572	50	30	AFGC	
C#Cc1ccccc1CBr	59306043	VQYHSHIINCLCJO-UHFFFAOYSA-N	195.059	2.563	50	30	AFGC	
CC(C)(N=C=O)c1ccc(Cl)cc1	39399626	NMBDVZRQVRHVDR-UHFFFAOYSA-N	195.649	2.911	50	30	AFGC	
CCOC(=O)P(=O)(Cl)Cl	136464709	MPTKFBJYKPUIGE-UHFFFAOYSA-N	190.950	2.814	50	30	AFGC	
FC(F)(F)CCCCN=C=S	124403778	CXSRZQIDYUCPTQ-UHFFFAOYSA-N	183.198	2.822	50	30	AFGC	in-vitro
O=C(Cl)C(F)(F)C1CCCCC1	107271567	IEHZGTMESCPWFV-UHFFFAOYSA-N	196.624	2.967	50	30	AFGC	
COc1cc(Cl)c(C)cc1N=C=O	11802405	KZOBNHJOVQNKNI-UHFFFAOYSA-N	197.621	2.624	50	30	AFGC	
Cc1cc(Cl)ccc1C(=O)F	39056392	DMXBEFDSKNZEFB-UHFFFAOYSA-N	172.586	2.758	50	30	AFGC	
ClCC#CC1CCCCC1	2002629	XDPVEYOYMRUDJB-UHFFFAOYSA-N	156.656	2.809	50	30	AFGC	
C[C@@H]1CCC[C@@H](C)N1CCCCl	39341552	VOGQZKPKCZDFBF-NXEZZACHSA-N	189.730	2.878	50	30	AFGC	
ClCc1cnc(C2CC2)s1	83943625	SGXLKUKIHADOHF-UHFFFAOYSA-N	173.668	2.759	50	30	AFGC	
N#CC1=Cc2cccc(Cl)c2OC1	104393007	KNUGPJWKRXBNEH-UHFFFAOYSA-N	191.617	2.639	50	30	AFGC	
ClC(Cl)=CCBr	113345437	JMURNZDCVGWDRG-UHFFFAOYSA-N	189.867	2.700	50	30	AFGC	in-vitro
Cc1cc(C(=O)Cl)n2ccccc12	39056967	OGLDTKSWOQNDFE-UHFFFAOYSA-N	193.633	2.627	50	30	AFGC	
CCCCC(Cl)Cl	111350518	PGEVTVXEERFABN-UHFFFAOYSA-N	141.041	2.980	50	30	AFGC	
O=C(Cl)[C@H]1C[C@@H]2CCC[C@@H]2C1	256116977	RLEYOIPWSIZBKJ-RNLVFQAGSA-N	172.655	2.578	50	30	AFGC	
FCc1ccc(CCl)cc1	95218253	CEOBSAZJYDIEMT-UHFFFAOYSA-N	158.603	2.895	50	30	AFGC	
C[C@@]1(Cl)CCC[C@@H](C(=O)Cl)C1	39057097	CLFUOBIOGLHJPJ-HTRCEHHLSA-N	195.089	2.940	50	30	AFGC	
CC[C@H](Cl)CCCl	104717862	QMLLRWZQACTYAX-YFKPBYRVSA-N	141.041	2.633	50	30	AFGC	in-vitro
CC(C)[C@@H]1CC[C@@H](C)C[C@@H]1OO	113035166	OZTWDFWAMMUDHQ-UTLUCORTSA-N	172.268	2.937	50	30	AFGC	
CC(C)(C)c1ncc(CCl)cn1	54857179	ZIUSZXUCRLOKNP-UHFFFAOYSA-N	184.670	2.513	50	30	AFGC	
CC(C)c1ccc(CN=C=O)cc1	19730709	JORFYLXBXNIBBT-UHFFFAOYSA-N	175.231	2.646	50	30	AFGC	
C=C[C@H](C)[C@H](C)/C=C(\C)C=O	135976873	JPZHEFRWMYVYQE-JSJQHLISSA-N	152.237	2.590	50	30	AFGC	
Cc1cccc(N(C)C(=O)Cl)c1	78675736	DNTPOBUQPMRENX-UHFFFAOYSA-N	183.638	2.790	50	30	AFGC	
[C-]#[N+]CSc1ccccc1OC	2265384687	JNVYKHCAQCKTBG-UHFFFAOYSA-N	179.244	2.664	50	30	AFGC	
ClCOc1cccc(Cl)c1	83821976	MCVOYWAEAFPEHY-UHFFFAOYSA-N	177.030	2.915	50	30	AFGC	
C[C@@H](c1ccccc1)[C@H](Cl)C#N	45626971	UCBPWBSLULXDQG-WCBMZHEXSA-N	179.650	2.921	50	30	AFGC	
BrC[C@H]1C=CCCC1	85856476	NRDIHSPUUCHBQG-ZETCQYMHSA-N	175.069	2.738	50	30	AFGC	
C[C@@H]1CCC[C@H]1CBr	83822159	RHXFJRZFHSNFKV-RQJHMYQMSA-N	177.085	2.818	50	30	AFGC	
FC1(F)CCCC[C@H]1Br	196269395	FNFOFSWFCCNVFZ-RXMQYKEDSA-N	199.038	2.959	50	30	AFGC	
O=C(Cl)[C@@H]1C=Cc2ccccc2C1	39057018	XHGYRZPAIAJUIP-SNVBAGLBSA-N	192.645	2.638	50	30	AFGC	
C#CCC1(C(=O)Cl)CCCCC1	39056707	YEKGYGDBJDRKBH-UHFFFAOYSA-N	184.666	2.726	50	30	AFGC	in-vitro
C[C@@H](C#N)c1ccc(C(=O)Cl)cc1	39056957	KEMXVDYLCZGOON-ZETCQYMHSA-N	193.633	2.693	50	30	AFGC	
C[C@@H]1C[C@H]1CCCBr	225652479	BWVKKNIRPUKSHD-RNFRBKRXSA-N	177.085	2.818	50	30	AFGC	
C[C@H](CN(C)C(=O)Cl)C1CCC1	885556979	CZRQCCBLWZMEMI-SSDOTTSWSA-N	189.686	2.713	50	30	AFGC	
FC1CCC(CBr)CC1	200672504	AEDCPJATJOCVQP-UHFFFAOYSA-N	195.075	2.910	50	30	AFGC	
COc1cc(F)cc(N=C=S)c1	238352241	LVZYRJOHUMZCQJ-UHFFFAOYSA-N	183.207	2.569	50	30	AFGC	
Cc1cc(C(=O)Cl)sc1C	74942563	SWGONTQHQACHEN-UHFFFAOYSA-N	174.652	2.744	50	30	AFGC	
Cl[C@H]1C=CCC[C@H]1Cl	100099476	XMRSWQWOEAGAPO-NTSWFWBYSA-N	151.036	2.551	50	30	AFGC	
C[C@H]1CCC[C@@H](C(=O)Cl)C1	60283929	QTFYECBIEPDEDY-NKWVEPMBSA-N	160.644	2.578	50	30	AFGC	in-vitro
CC(=O)c1ccc(COCCl)cc1	98181501	KSTFLOIQYCLOAU-UHFFFAOYSA-N	198.649	2.602	50	30	AFGC	
CCCCC1CC(C(=O)Cl)C1	34303487	AWONPYYXRLBSEF-UHFFFAOYSA-N	174.671	2.968	50	30	AFGC	
O=C=Nc1cccc(C(F)F)c1	107267610	YPDMVXLKBSSSMV-UHFFFAOYSA-N	169.130	2.592	50	30	AFGC	
CC(C)(C)OC(=O)CCCCCl	83119345	YCUQZCRPSSEQGE-UHFFFAOYSA-N	192.686	2.737	50	30	AFGC	in-vitro
CC[C@H](C)OOC(=O)O[C@H](C)CC	103840268	IKBVWGOHCLVYTA-SFYZADRCSA-N	190.239	2.668	50	30	AFGC	
CC(C)[C@@H]1C[C@@H]1O[Si](C)(C)C	196586851	YPKWATSZWICCNV-IUCAKERBSA-N	172.344	2.882	50	30	AFGC	
CC1=C[C@@]1(C(=O)Cl)c1ccccc1	39056977	DWOXVFAJIOLRLU-NSHDSACASA-N	192.645	2.650	50	30	AFGC	
C[C@H](CCl)C(C)(C)C	67739284	ZUIGQNGRMZCADY-ZCFIWIBFSA-N	134.650	2.907	50	30	AFGC	in-vitro
O=C=Nc1ccc(C2CC2)cc1	575584644	VWOOCUCYLRCKDX-UHFFFAOYSA-N	159.188	2.531	50	30	AFGC	
Fc1cccc(F)c1CCCl	78522995	HTVLRLFZFIKIPU-UHFFFAOYSA-N	176.593	2.746	50	30	AFGC	in-vitro
O=C(Cl)C1C[C@H]2CCC[C@@H]2C1	39056359	RLEYOIPWSIZBKJ-RNFRBKRXSA-N	172.655	2.578	50	30	AFGC	
Cc1cc(CCl)nc([C@@H]2C[C@H]2C)n1	83810570	ZAKPQBWENXTQDN-HZGVNTEJSA-N	196.681	2.647	50	30	AFGC	
CC(C)c1ccc(C(=O)F)cc1	39056296	UCXAAJMNFNFXED-UHFFFAOYSA-N	166.195	2.920	50	30	AFGC	
COCc1ccccc1N=C=S	49509066	SGOWIKKHPULNRA-UHFFFAOYSA-N	179.244	2.567	50	30	AFGC	
C[C@@H]1CCc2onc(CCl)c2C1	87547765	MPKJRPWWEOEPMZ-ZCFIWIBFSA-N	185.654	2.538	50	30	AFGC	
Clc1ccc(C(Cl)Cl)nn1	956384765	XDWXJXIYYBLRPI-UHFFFAOYSA-N	197.452	2.606	50	30	AFGC	
CO[C@H](CCl)c1ccccc1	5998258	CMBMUYICTPOEOA-SECBINFHSA-N	170.639	2.613	50	30	AFGC	
C/C(C=O)=C(/Cl)c1cccs1	38635876	DEJITVOMCFNCDM-VURMDHGXSA-N	186.663	2.917	50	30	AFGC	
CC(C)(C)c1ocnc1CCl	85942910	DAENJSGPEBONHZ-UHFFFAOYSA-N	173.643	2.711	50	30	AFGC	
C=Cc1ccc(/C=C/C#N)cc1	38635100	FNWLIFTZDCZCIR-ONEGZZNKSA-N	155.200	2.866	50	30	AFGC	
BrC[C@@H]1C[C@@H]2C=C[C@H]1C2	115016530	XCDJEPZLSGMJSM-CSMHCCOUSA-N	187.080	2.594	50	30	AFGC	
Fc1ncc(CCl)cc1Cl	95761897	ABCMIRBBPYDCPK-UHFFFAOYSA-N	180.009	2.613	50	30	AFGC	
COC(=O)c1cc(CCl)ccc1C	140728213	VSLUQEKQXUAQCI-UHFFFAOYSA-N	198.649	2.520	50	30	AFGC	
Br[C@@H]1[C@H]2CCCC[C@H]21	242548499	LOOMTCQZRVQSSA-ZMONIFLSSA-N	175.069	2.570	50	30	AFGC	
CC[C@@H]1CCCCN1C(=O)Cl	62466298	RDCXIJZCLMDYLF-SSDOTTSWSA-N	175.659	2.610	50	30	AFGC	
Cc1cc(F)ccc1OC(=O)Cl	129356906	XBUKKOIBVLTCOW-UHFFFAOYSA-N	188.585	2.872	50	30	AFGC	in-vitro
C#CO[Si](C)(C)C(C)(C)C	196164978	BWYSMZUAVNWHGH-UHFFFAOYSA-N	156.301	2.599	50	30	AFGC	
CC[C@@H](C)CCCl	78749902	NRLWLQUJUTWEJD-ZCFIWIBFSA-N	120.623	2.661	50	30	AFGC	
C=C(C#N)C(=O)OCCCCCCC	2033811	WVXQYJXDTJWWEA-UHFFFAOYSA-N	195.262	2.580	50	30	AFGC	
BrC[C@@H]1C[C@H]2CCC[C@H]12	667356372	XWWPXHZSDSNMSR-CSMHCCOUSA-N	189.096	2.818	50	30	AFGC	
O=C(Cl)OCc1ccc(F)cc1	39475310	CNDKJCOMEMJVKI-UHFFFAOYSA-N	188.585	2.701	50	30	AFGC	
CC(C)Oc1ccc(CCl)nc1	68575314	LLYFQFDGGXXMEG-UHFFFAOYSA-N	185.654	2.608	50	30	AFGC	
CCCCC/C=C(\C)C=O	33839272	IHZRGRBFNMNNFV-VQHVLOKHSA-N	140.226	2.712	50	30	AFGC	
O=C(OCCl)OC1CCCCC1	34102439	DKXDLGITOKUSLC-UHFFFAOYSA-N	192.642	2.669	50	30	AFGC	in-vitro
CC1(CBr)CC(F)(F)C1	667355192	XDDBGFAOHXMLFG-UHFFFAOYSA-N	199.038	2.817	50	30	AFGC	
ClCc1ccc2cnccc2c1	147529295	WNWFNMSGLLRHHC-UHFFFAOYSA-N	177.634	2.974	50	30	AFGC	
CCC(F)(F)CCBr	219829971	WWMZMYXHCJCPOX-UHFFFAOYSA-N	187.027	2.817	50	30	AFGC	
CSC(F)(F)C(Cl)Cl	6019660	BJMNUMOCQIVWFA-UHFFFAOYSA-N	181.034	2.746	50	30	AFGC	
O=C=Nc1cccc2ccsc12	107458698	DNOOLWPEKDSYNT-UHFFFAOYSA-N	175.212	2.869	50	30	AFGC	
C[C@H]1CCc2onc(CCl)c2C1	87547766	MPKJRPWWEOEPMZ-LURJTMIESA-N	185.654	2.538	50	30	AFGC	
CCc1c(OC)cccc1C(=O)Cl	45792649	LLPAULVDRSLFBZ-UHFFFAOYSA-N	198.649	2.637	50	30	AFGC	
Cc1cc(C#N)cc(C)c1CCl	675049957	CDMBTBOBNPLDCE-UHFFFAOYSA-N	179.650	2.914	50	30	AFGC	
C[C@@H]1CC[C@H](Br)C1	70764234	RWMACSHFTGJPQM-RITPCOANSA-N	163.058	2.570	50	30	AFGC	
CCCCCCOC(=O)OCCl	90440636	MOFUYYHJHUGEFH-UHFFFAOYSA-N	194.658	2.916	50	30	AFGC	
ClCc1nnc(C2CCC2)s1	84096212	ROPRUWGWXWXYJN-UHFFFAOYSA-N	188.683	2.544	50	30	AFGC	in-vitro
BrCCCC1CC1	70791548	BMONZYQFNWMIRK-UHFFFAOYSA-N	163.058	2.572	50	30	AFGC	
C[C@@H]1[C@H]2C=C[C@H](CC2)[C@H]1C(=O)Cl	39056706	ZZTYIIXNFXFZFP-XAVMHZPKSA-N	184.666	2.600	50	30	AFGC	
Cl[C@H]1C=Nc2ccccc21	100248644	HGYXKAVVJGMLEA-ZETCQYMHSA-N	151.596	2.682	50	30	AFGC	
BrC[C@@H]1CCC[C@@H]2C[C@H]12	306173749	FTTUONRISBUUCU-CSMHCCOUSA-N	189.096	2.818	50	30	AFGC	
CC1(C)CCc2onc(CCl)c2C1	87547885	AZTXCPSMLRXSMY-UHFFFAOYSA-N	199.681	2.928	50	30	AFGC	
Cc1cc(N=C=O)c(Cl)cc1F	238459193	HCZAWMRRIIBLRC-UHFFFAOYSA-N	185.585	2.755	50	30	AFGC	
Cl[C@@H]1C[C@H]2C[C@H]1[C@H]1CC=C[C@H]12	257084803	NYPOWANMYCBCFP-SQQIUAQRSA-N	168.667	2.826	50	30	AFGC	
CO[C@@H](CCl)c1ccccc1	5998134	CMBMUYICTPOEOA-VIFPVBQESA-N	170.639	2.613	50	30	AFGC	
C[C@@H](Cc1ccccc1)C(=O)Cl	11977364	OWAWAFKVPTWIBP-QMMMGPOBSA-N	182.650	2.631	50	30	AFGC	in-vitro
CC1(C)CC[C@H]1Br	306364687	APADGWMBCYQUIY-RXMQYKEDSA-N	163.058	2.570	50	30	AFGC	
CC(C)/C=C(\C#N)c1ccccn1	31331779	CACVYMFWMKRDPI-JXMROGBWSA-N	172.231	2.645	50	30	AFGC	in-vitro
CC#CCCCCBr	70791421	HBCUNRJLNZJDFT-UHFFFAOYSA-N	175.069	2.575	50	30	AFGC	
Cl[C@H]1CCC=C[C@H]1Cl	100099469	XMRSWQWOEAGAPO-RITPCOANSA-N	151.036	2.551	50	30	AFGC	
COc1ccc2ccccc2c1N=C=O	34252905	PUTXCPSKYNMRJK-UHFFFAOYSA-N	199.209	2.816	50	30	AFGC	
Fc1cc(F)c(F)c(N=C=S)c1	2506744	UCYBFTISLFMERT-UHFFFAOYSA-N	189.161	2.838	50	30	AFGC	
O=C(Cl)OCc1ccccc1F	39475309	OGXKEDVRAWFRHJ-UHFFFAOYSA-N	188.585	2.701	50	30	AFGC	
N#Cc1cc(F)c(CCl)c(F)c1	227104164	VQFOCDNQUGLDLU-UHFFFAOYSA-N	187.576	2.575	50	30	AFGC	
Br[C@@H]1C=CCCCC1	81948550	ZKGXAEJNBLJUQF-SSDOTTSWSA-N	175.069	2.880	50	30	AFGC	
C=C(CBr)C(C)(C)C	136113399	GFKPUBMTEHCQIW-UHFFFAOYSA-N	177.085	2.984	50	30	AFGC	
CC1(C)CCC/C(=C\C=O)C1	14616190	TYHKWUGMKWVPDI-WEVVVXLNSA-N	152.237	2.712	50	30	AFGC	
O=C(Cl)Oc1ccccc1F	34767834	ZZKQWVWEGLMHGN-UHFFFAOYSA-N	174.558	2.563	50	30	AFGC	in-vitro
CC(C)CSCCl	104721837	JGQIYFQNVBEYPF-UHFFFAOYSA-N	138.663	2.572	50	30	AFGC	
C[C@@H]1SS[C@H](C)S1	15121218	HFRUNLRFNNTTPQ-ZXZARUISSA-N	152.309	2.807	50	30	AFGC	endogenous,in-man
BrC[C@@H]1CC[C@H]2C[C@@H]2C1	307526663	FIQSEPYBWIUITF-CSMHCCOUSA-N	189.096	2.818	50	30	AFGC	
C[C@H](Cl)OC(=O)C1CCCCC1	34101488	HDROJQNEUPUFCP-SSDOTTSWSA-N	190.670	2.695	50	30	AFGC	
Cc1cc(CCl)ncc1Cl	95763792	NAFAJVFOCHXNMP-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	
ClCC1=NO[C@H](c2ccccc2)C1	34565996	NFPOZCYAWVJLAF-JTQLQIEISA-N	195.649	2.743	50	30	AFGC	
C=CCOP(Cl)OCC=C	104377031	MOXNIPULJGZEIO-UHFFFAOYSA-N	180.571	2.857	50	30	AFGC	
C=C(C)O[Si](C)(C)OC(=C)C	195939950	JOJYIOOVPHLXBQ-UHFFFAOYSA-N	172.300	2.789	50	30	AFGC	
C/C(=C\C#N)CCC(C)C	38632725	BCUSWIAEJDAZAX-RMKNXTFCSA-N	137.226	2.892	50	30	AFGC	
CCN(C(=O)Cl)C1CCCCC1	34484645	ONKIPJDBUYZQMP-UHFFFAOYSA-N	189.686	3.000	50	30	AFGC	
C[C@@H]1C[C@@H]1CCCBr	225652428	BWVKKNIRPUKSHD-RQJHMYQMSA-N	177.085	2.818	50	30	AFGC	
C[C@H](Cl)c1ccccc1[N+](=O)[O-]	20526335	BQXWCTXAXOSVLK-LURJTMIESA-N	185.610	2.895	50	30	AFGC	
Cc1cnn(CCCCCCl)c1	37677058	ZFZMLTYTVSWDFQ-UHFFFAOYSA-N	186.686	2.601	50	30	AFGC	in-vitro
CC1=C(C#N)C(C)(C)CC=C1	22067359	MDBKXUUTSLSJDH-UHFFFAOYSA-N	147.221	2.813	50	30	AFGC	in-vitro
Cc1cncc(Cl)c1CCl	95768823	LBGDFDRVEFXCJJ-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	
O=C(F)c1ccc(C(F)F)cc1	39056496	ISDFBLRZMRLNPM-UHFFFAOYSA-N	174.121	2.734	50	30	AFGC	
CC(C)(C)C[C@@](O)(C#N)C(C)(C)C	95722731	SHIPOKUMIZNEHZ-LLVKDONJSA-N	183.295	2.723	50	30	AFGC	
C=CP(=O)(Cl)Cl	100072079	MLSZIADXWDYFKM-UHFFFAOYSA-N	144.925	2.801	50	30	AFGC	
CCC[C@@H](C)/C=C(\C)C=O	115446741	OHHBZXXERXNTNR-GTUWVTDSSA-N	140.226	2.568	50	30	AFGC	
C[C@H]1SS[C@H](C)S1	2015031	HFRUNLRFNNTTPQ-QWWZWVQMSA-N	152.309	2.807	50	30	AFGC	endogenous,in-man
CCCCOC(=O)O[C@H](C)Cl	34077142	WQRYMQHLFDVPFS-ZCFIWIBFSA-N	180.631	2.525	50	30	AFGC	in-vitro
CCCC[C@@H](Cl)CCCO	5822194	MMVJPTKAKBJYGU-MRVPVSSYSA-N	164.676	2.557	50	30	AFGC	
Br[C@@H]1C[C@H]2CC[C@@H]1C2	1592392	QXYOAWHKJRWNID-RRKCRQDMSA-N	175.069	2.570	50	30	AFGC	
C[C@H]1CC[C@@H](Br)C1	70764237	RWMACSHFTGJPQM-NTSWFWBYSA-N	163.058	2.570	50	30	AFGC	
Cc1ccc(CCl)nc1Cl	95763788	KVMKRTQRTWFCCN-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	
CC(C)C[C@H](C)OC(=O)Cl	33607527	DFDVWGPSPQCTBJ-LURJTMIESA-N	164.632	2.796	50	30	AFGC	in-vitro
O=C(Cl)c1occ(Cl)c1Cl	45792767	LDHRXRONPLXAHS-UHFFFAOYSA-N	199.420	2.965	50	30	AFGC	
Cc1nc2cc(CCl)ccc2[nH]1	34308731	RFDJVOPPFGOKCM-UHFFFAOYSA-N	180.638	2.610	50	30	AFGC	in-vitro
O=C(F)c1cc(F)c(Cl)cc1F	95932719	FECDFWHSCBRZQR-UHFFFAOYSA-N	194.539	2.728	50	30	AFGC	
Cl[C@H]1C[C@H]2CC[C@@]1(Cl)C2	100062397	LLPWSPJWQKOHBM-DSYKOEDSSA-N	165.063	2.775	50	30	AFGC	
CCC(C)(C)CC(=O)Cl	116099427	FAQFLNQHPAJHHC-UHFFFAOYSA-N	148.633	2.578	50	30	AFGC	
CC(C)(C)O[C@H]1C[C@H](Cl)C1	299805359	KAQAJHBYLUNSME-LJGSYFOKSA-N	162.660	2.571	50	30	AFGC	
CC1(C)C[C@@H]1CCBr	575587308	LXAZXHGXMGGAAA-LURJTMIESA-N	177.085	2.818	50	30	AFGC	
S=C=N[C@H]1CCc2ccccc2C1	51632182	CPDCVJRPTNSVTC-NSHDSACASA-N	189.283	2.647	50	30	AFGC	in-vitro
CC(C)(C)c1ccc(C(=O)OO)cc1	111391290	TZAJCDOWOPBMKD-UHFFFAOYSA-N	194.230	2.614	50	30	AFGC	
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OO	60300997	OZTWDFWAMMUDHQ-OPRDCNLKSA-N	172.268	2.937	50	30	AFGC	
Cc1ccccc1COC(=O)Cl	39475313	ZONRLWCQDWMCAR-UHFFFAOYSA-N	184.622	2.870	50	30	AFGC	in-vitro
CC/C=C/CCCl	78749716	ODDBBUZTMLEZBW-ONEGZZNKSA-N	118.607	2.582	50	30	AFGC	
CC1=C(C)[C@H]2CC[C@H]1C(C#N)=C2C#N	100082197	VULNZCUIMNOQQZ-NXEZZACHSA-N	184.242	2.706	50	30	AFGC	
C=C(C)[C@H]1C=C[C@](C)(OO)CC1	86034285	LCOVCELWSKTKHX-UWVGGRQHSA-N	168.236	2.777	50	30	AFGC	in-vitro
CC(C)C=C(C=O)c1ccccc1	2265289694	ULRYRAHIBWLZKC-UHFFFAOYSA-N	174.243	2.925	50	30	AFGC	
N#Cc1ccc(CCl)c(Cl)c1	75577039	WVZDCUOCGWRHML-UHFFFAOYSA-N	186.041	2.950	50	30	AFGC	in-vitro
C[C@@H]1CC[C@@H](CBr)C1	83822066	JCORFEUVKWJDFB-RNFRBKRXSA-N	177.085	2.818	50	30	AFGC	
CCCCN(/C=C/C=O)CCCC	2524729	IDHUWHYABNVTKT-JXMROGBWSA-N	183.295	2.601	50	30	AFGC	
BrC[C@@H]1CC[C@@H]2C[C@H]2C1	307526653	FIQSEPYBWIUITF-BWZBUEFSSA-N	189.096	2.818	50	30	AFGC	
FCCCCCCCl	2039467	NASMVDMHYMZBIM-UHFFFAOYSA-N	138.613	2.755	50	30	AFGC	
C[C@H](C#N)c1cccc(C(=O)Cl)c1	33506678	XXQNFMGCPMJJSJ-SSDOTTSWSA-N	193.633	2.693	50	30	AFGC	
COc1nc(Cl)c(CCl)s1	306209698	NPMBYIMDAAATIY-UHFFFAOYSA-N	198.074	2.544	50	30	AFGC	
ClCc1ncoc1C1CCC1	85942917	KFBGTKDDWAKEAW-UHFFFAOYSA-N	171.627	2.681	50	30	AFGC	
Cc1cnc(CCl)c(Cl)c1	95763784	JBPMYLDUMFCYKK-UHFFFAOYSA-N	176.046	2.782	50	30	AFGC	
N#CSCCCCCCF	1847443	IQVNZWORTXPRJG-UHFFFAOYSA-N	161.245	2.731	50	30	AFGC	
CCC(C)(CC)C(=O)Cl	38265388	XNAQEDQKXCHDIW-UHFFFAOYSA-N	148.633	2.578	50	30	AFGC	
C[C@H](C#N)c1ccc(C(=O)Cl)cc1	39056958	KEMXVDYLCZGOON-SSDOTTSWSA-N	193.633	2.693	50	30	AFGC	
CC[C@@H]1CC[C@H](Br)C1	80469447	PYOOXGSOOVLRFO-RQJHMYQMSA-N	177.085	2.960	50	30	AFGC	
CC(C)c1ccc(CCN=C=O)cc1	19729090	PECMMGXRMUTJQH-UHFFFAOYSA-N	189.258	2.688	50	30	AFGC	
CC1CC(C)(CBr)C1	575468238	DGGSHTKLHFDASK-UHFFFAOYSA-N	177.085	2.818	50	30	AFGC	
CO[C@@H](/C=C/C#N)c1ccc(C)cc1	38632767	XMFBINCYCMPLAO-PCAWENJQSA-N	187.242	2.762	50	30	AFGC	
C/C(=C\C=O)CC[C@H]1CC1(C)C	137383343	XDJUSHOTGROPMD-ZKXNXJMVSA-N	166.264	2.958	50	30	AFGC	
CC[C@@H]1CC[C@@H](Br)C1	80469455	PYOOXGSOOVLRFO-RNFRBKRXSA-N	177.085	2.960	50	30	AFGC	
CC1CCC(C)(C(=O)Cl)CC1	39056487	BBEICHXABALGRY-UHFFFAOYSA-N	174.671	2.968	50	30	AFGC	
C=C(C)N(C(=O)Cl)C(C)C	144951789	AYMCRYGRXPAELG-UHFFFAOYSA-N	161.632	2.589	50	30	AFGC	
BrCCCC1CCC1	126126442	MYWUIQVJDNMTAC-UHFFFAOYSA-N	177.085	2.962	50	30	AFGC	in-vitro
C[C@H](Cc1ccccc1)N=C=S	5751594	AFKRLUUCCIMVQP-SECBINFHSA-N	177.272	2.720	50	30	AFGC	
O=C(Cl)[C@@H]1CC[C@@H]2CCC[C@@H]21	39056398	OQILNGGRRHAVQS-BIIVOSGPSA-N	172.655	2.578	50	30	AFGC	
C[C@H](CBr)C(F)(F)F	88189975	AANLYORBFNBDGG-GSVOUGTGSA-N	190.990	2.580	50	30	AFGC	
O=[S@@](Cl)c1ccccc1Cl	307130270	FPXJKFXNIRSFST-SNVBAGLBSA-N	195.070	2.601	50	30	AFGC	
ClCc1cccc2c1CCC2	59200576	BZLIAEVSPAPOPT-UHFFFAOYSA-N	166.651	2.914	50	30	AFGC	
CC1(C)[C@H]2CC[C@@H](C2)[C@@H]1C(=O)Cl	100199964	MMJZYLSOVDKRTC-BIIVOSGPSA-N	186.682	2.824	50	30	AFGC	
CC[C@@H](Cl)CCCl	104717866	QMLLRWZQACTYAX-RXMQYKEDSA-N	141.041	2.633	50	30	AFGC	in-vitro
C=C(C=O)CCCCCC	21998727	KWUBTLAZZWBMRT-UHFFFAOYSA-N	140.226	2.712	50	30	AFGC	
C[C@H](Br)C1CCCC1	54081978	AVDASXICTKXEII-LURJTMIESA-N	177.085	2.960	50	30	AFGC	in-vitro
CCCCSCCCl	2560400	FVONCKXELOJWPR-UHFFFAOYSA-N	152.690	2.759	50	30	AFGC	
FC1(F)CCCC[C@@H]1Br	196269402	FNFOFSWFCCNVFZ-YFKPBYRVSA-N	199.038	2.959	50	30	AFGC	
F[C@@H]1CC[C@H](CBr)C1	950757500	LDZGRVGOHNAIGD-NTSWFWBYSA-N	181.048	2.520	50	30	AFGC	
C[C@@H](Br)C1CCCC1	54081979	AVDASXICTKXEII-ZCFIWIBFSA-N	177.085	2.960	50	30	AFGC	in-vitro
C[C@@H]1CC[C@H](CBr)C1	83822062	JCORFEUVKWJDFB-RQJHMYQMSA-N	177.085	2.818	50	30	AFGC	
Cl[C@@H]1C=Nc2ccccc21	100248639	HGYXKAVVJGMLEA-SSDOTTSWSA-N	151.596	2.682	50	30	AFGC