smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCC(CC)CCl	2379629	PQHNRODYYLFLRE-UHFFFAOYSA-N	120.623	2.661	50	50	AFGA	
Fc1cccc(N=C=S)c1	167163	HDBACITVPQEAGG-UHFFFAOYSA-N	153.181	2.560	50	50	AFGA	
ClCc1cncc(CCl)c1	59796815	FOACBKSGGBYXOG-UHFFFAOYSA-N	176.046	2.559	50	50	AFGA	in-vitro
CCO[Si](CC)(CC)OCC	195764736	ZMAPKOCENOWQRE-UHFFFAOYSA-N	176.332	2.541	50	50	AFGA	
F[C@H](Cl)[C@@H](Cl)C(F)(F)F	2525268	IRCLJRMKYIULFK-NCGGTJAESA-N	184.947	2.691	50	50	AFGA	
O=C1CCCCCC[C@@H]1Cl	5133717	ZUHGCXDUBLZMAG-ZETCQYMHSA-N	160.644	2.517	50	50	AFGA	
CCCCC/C=C/C=C\C=O	13551427	JZQKTMZYLHNFPL-MUIOLIGRSA-N	152.237	2.878	50	50	AFGA	in-vitro
O=C(Cl)N1CCCC=C1Cl	34540700	VVOVQRRLTYPIST-UHFFFAOYSA-N	180.034	2.521	50	50	AFGA	
N#CSc1nc2ccccc2s1	1631036	XTRNTWFPJIZGBG-UHFFFAOYSA-N	192.268	2.869	50	50	AFGA	
CSSCc1ccco1	1850325	CLSLQQCDHOZMDT-UHFFFAOYSA-N	160.263	2.791	50	50	AFGA	endogenous,in-man
O=C(CCCCl)c1ccc(O)cc1	1697305	HZCPODPQEZHXHM-UHFFFAOYSA-N	198.649	2.594	50	50	AFGA	
O=[N+]([O-])c1cccc(/C=C\CCl)c1	4530133	VYHWMGGPQOROGN-RQOWECAXSA-N	197.621	2.847	50	50	AFGA	
BrCC12CCC(CC1)C2	168912789	AWCGALZJVRGRBZ-UHFFFAOYSA-N	189.096	2.962	50	50	AFGA	in-vitro
N#C/C=C\c1c[nH]c2cc(F)ccc12	199388495	PXZIHGFKKGMRNQ-UPHRSURJSA-N	186.189	2.844	50	50	AFGA	
CC(C)CCCBr	1610369	XZKFBZOAIGFZSU-UHFFFAOYSA-N	165.074	2.818	50	50	AFGA	in-vitro
O=C(Cl)C12CC3CC(CC(C3)C1)C2	1730095	MIBQYWIOHFTKHD-UHFFFAOYSA-N	198.693	2.968	50	50	AFGA	in-vitro
O=C(Cl)c1ccc2ncccc2c1	35287646	SEKHCAFZRYHQMP-UHFFFAOYSA-N	191.617	2.614	50	50	AFGA	in-vitro
C=C/C=C/O[Si](C)(C)C	170159784	UQGOYQLRRBTVFM-VOTSOKGWSA-N	142.274	2.538	50	50	AFGA	
O=P(Cl)(Cl)Cl	245224492	XHXFXVLFKHQFAL-UHFFFAOYSA-N	153.332	2.811	50	50	AFGA	endogenous,in-man
Cc1cccc(CCBr)c1	2529025	STQJFINZGUXVEX-UHFFFAOYSA-N	199.091	2.932	50	50	AFGA	
N#CCCCCCCBr	1690012	HVVQSKCGHAPHMV-UHFFFAOYSA-N	190.084	2.855	50	50	AFGA	in-vitro
N#C/C=C\c1ccccc1Cl	4782856	PWWUUGALKZGDSD-HYXAFXHYSA-N	163.607	2.877	50	50	AFGA	
CCC[C@H](CC)OC(=O)Cl	148158993	ZMSXSTNHWZHSLE-LURJTMIESA-N	164.632	2.941	50	50	AFGA	in-vitro
ClCc1ccc(-n2ccnc2)cc1	3888542	DJAJKNDOAPELFN-UHFFFAOYSA-N	192.649	2.611	50	50	AFGA	in-vitro
ClCc1cnc2ccccc2c1	34540632	DSOGFOBIDOVCHN-UHFFFAOYSA-N	177.634	2.974	50	50	AFGA	in-vitro
ClP1Oc2ccccc2O1	8100880	YUJYEGDMJZHLMY-UHFFFAOYSA-N	174.523	2.924	50	50	AFGA	in-vitro
Cc1cc(CCl)ccc1[N+](=O)[O-]	2170006	DLYHOEXVOPOBAJ-UHFFFAOYSA-N	185.610	2.642	50	50	AFGA	
Cc1cccc(C)c1C(=O)Cl	2510259	CFLAYISSADVCJH-UHFFFAOYSA-N	168.623	2.682	50	50	AFGA	
FC(F)=CCCBr	2525247	WSIDFIREQDHYPW-UHFFFAOYSA-N	170.984	2.552	50	50	AFGA	in-vitro
CCCCCC[C@@H](C)N=C=O	2529045	FTWPDIQXUDUDPL-SECBINFHSA-N	155.241	2.681	50	50	AFGA	
CC(C)(C)CCCl	1707952	XGCKOSFYXBAPQM-UHFFFAOYSA-N	120.623	2.661	50	50	AFGA	
Cc1ccc(N=C=S)c(F)c1	2541386	YIAWVEYKLJFZBS-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	
O[C@H](CCl)c1ccc(Cl)cc1	6093181	FMVSIWSINRIEKZ-MRVPVSSYSA-N	191.057	2.612	50	50	AFGA	in-vitro
Fc1cc(N=C=S)cc(F)c1F	2506741	KFBSFEHVBOTTSM-UHFFFAOYSA-N	189.161	2.838	50	50	AFGA	
Cc1c(CCl)cccc1[N+](=O)[O-]	2567946	XZNDXQGZPOZITR-UHFFFAOYSA-N	185.610	2.642	50	50	AFGA	in-vitro
CC/C(C=O)=C/c1ccccc1	1240507	BOCRJYUZWIOMOJ-NTMALXAHSA-N	160.216	2.679	50	50	AFGA	
FCCCCCBr	2383170	GMYIZICPHREVDH-UHFFFAOYSA-N	169.037	2.521	50	50	AFGA	
C/C(C#N)=C\c1ccc(F)cc1	4787166	NVBXEZSKVAJCNL-SOFGYWHQSA-N	161.179	2.753	50	50	AFGA	
Cc1cc(F)cc(C(=O)Cl)c1	2527807	IWZPKRATPLHNAH-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	in-vitro
CCCC[C@H](CC)C(=O)Cl	2242605	WFSGQBNCVASPMW-ZETCQYMHSA-N	162.660	2.968	50	50	AFGA	
CC(C)C(=C(C#N)C#N)C(C)C	390994	JNGJEFZLHXJZDG-UHFFFAOYSA-N	162.236	2.642	50	50	AFGA	
OC[C@H](Cl)c1ccc(Cl)cc1	12649346	MJAKZPPVNDXPPI-QMMMGPOBSA-N	191.057	2.612	50	50	AFGA	in-vitro
BrCc1ccsc1	2513314	KBWHYRUAHXHHFO-UHFFFAOYSA-N	177.066	2.643	50	50	AFGA	in-vitro
Cc1ccccc1CN=C=S	2528110	DOOUOZZRRNTUCQ-UHFFFAOYSA-N	163.245	2.598	50	50	AFGA	in-vitro
CCc1nc(C)sc1CCl	29866019	OIUCVKUDCWVUDK-UHFFFAOYSA-N	175.684	2.753	50	50	AFGA	in-vitro
BrC[C@@H]1C[C@H]2C=C[C@H]1C2	115016525	XCDJEPZLSGMJSM-FXQIFTODSA-N	187.080	2.594	50	50	AFGA	
CC(=C(C#N)C#N)c1ccccc1	134383	ZVOMMPYHGITOEF-UHFFFAOYSA-N	168.199	2.507	50	50	AFGA	in-vitro
CC(C)=C(C#N)c1nc2ccccc2[nH]1	40610	YDQBOJSTBJSEFL-UHFFFAOYSA-N	197.241	2.880	50	50	AFGA	
CC(C)(C)OOC(=O)c1ccccc1	1596408	GJBRNHKUVLOCEB-UHFFFAOYSA-N	194.230	2.574	50	50	AFGA	
Fc1ccc(CBr)cc1	164900	NVNPLEPBDPJYRZ-UHFFFAOYSA-N	189.027	2.721	50	50	AFGA	in-vitro
C[C@@H](Cl)COc1ccccc1	2522850	LTRAIWUUCBYXHZ-MRVPVSSYSA-N	170.639	2.693	50	50	AFGA	in-vitro
N#CC1=C[C@H]2C[C@H]1c1cc(C#N)ccc12	100941066	TXACHUFKFIKJLH-JOYOIKCWSA-N	192.221	2.593	50	50	AFGA	
Cc1ccccc1CBr	1690020	WGVYCXYGPNNUQA-UHFFFAOYSA-N	185.064	2.890	50	50	AFGA	
S=C(Cl)Oc1ccccc1	3861662	KOSYAAIZOGNATQ-UHFFFAOYSA-N	172.636	2.589	50	50	AFGA	in-vitro
C[C@@H](Cl)c1nc2ccccc2[nH]1	484734	FJBWNZYXAJCPKV-ZCFIWIBFSA-N	180.638	2.863	50	50	AFGA	in-vitro
OC[C@@H](Cl)c1ccc(Cl)cc1	12649340	MJAKZPPVNDXPPI-MRVPVSSYSA-N	191.057	2.612	50	50	AFGA	in-vitro
CCCCCC#CCCl	2564782	OUMUOQQKEAGFCJ-UHFFFAOYSA-N	144.645	2.809	50	50	AFGA	in-vitro
O=C/C=C/c1ccc(Cl)cc1	3080768	HONRSHHPFBMLBT-OWOJBTEDSA-N	166.607	2.552	50	50	AFGA	in-vitro
OC[C@H](Cl)c1cccc(Cl)c1	12649356	KOUAUXUHMNXWOY-QMMMGPOBSA-N	191.057	2.612	50	50	AFGA	in-vitro
Cc1ccc(C)c(C(=O)Cl)c1	15119460	MGBRPGMQNVRQCG-UHFFFAOYSA-N	168.623	2.682	50	50	AFGA	in-vitro
CO[Si](C)(OC)C1CCCCC1	169744937	SJJCABYOVIHNPZ-UHFFFAOYSA-N	188.343	2.686	50	50	AFGA	in-vitro
O=C(Cl)c1cc(F)cc(Cl)c1	2527758	CQQPZYVMGWYJOO-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
O[C@H](CCl)c1cccc(Cl)c1	12649365	LBSKQOSGSUKVDG-MRVPVSSYSA-N	191.057	2.612	50	50	AFGA	
C[C@](O)(CCCCl)c1ccccc1	1627188	SXPWSYFGPRVEQY-NSHDSACASA-N	198.693	2.913	50	50	AFGA	
Fc1ccccc1N=C=S	164776	OAGDRIUTLPDSMJ-UHFFFAOYSA-N	153.181	2.560	50	50	AFGA	
O=C(Cl)c1ccc(F)c(Cl)c1	2560120	DLZUHSFUBZTBQZ-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
O=C(Cl)CSc1ccccc1	2515991	TWOLQIUHVMTAAE-UHFFFAOYSA-N	186.663	2.544	50	50	AFGA	in-vitro
CC(C)Oc1cc(CCl)ccn1	40886343	RZMZMBVMVDAXEY-UHFFFAOYSA-N	185.654	2.608	50	50	AFGA	
CC1(C)[C@H]2CC[C@@]1(C)[C@@H](N=C=O)C2	101093444	FBAAWFXZNSCIGK-QXEWZRGKSA-N	179.263	2.537	50	50	AFGA	
CO[Si](C)(C)C(C)(C)C	195940425	SYFYMKQYUPMRFA-UHFFFAOYSA-N	146.306	2.638	50	50	AFGA	in-vitro
CC[C@H](Br)C(F)(F)F	71791920	GGEHBGVYKIYHOT-VKHMYHEASA-N	190.990	2.722	50	50	AFGA	
C[C@H](Cl)c1ccc([N+](=O)[O-])cc1	2172952	LATFGMPDXQAUFT-LURJTMIESA-N	185.610	2.895	50	50	AFGA	in-vitro
O=C(Cl)c1cccc(F)c1Cl	36533202	DIUKLCJZYOPHGW-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
O=C(CCCCl)Oc1ccccc1	1635636	PGNJLBWZQUKEHW-UHFFFAOYSA-N	198.649	2.611	50	50	AFGA	in-vitro
Fc1cccc(F)c1N=C=S	4255362	DBSXNGIBAKYMSS-UHFFFAOYSA-N	171.171	2.699	50	50	AFGA	in-vitro
Cc1cc([N+](=O)[O-])ccc1N=C=S	4269003	JEWJPETZSUMXII-UHFFFAOYSA-N	194.215	2.638	50	50	AFGA	in-vitro
C[C@@H](Br)c1nccs1	79438313	YGEBLAJDJLNGHM-SCSAIBSYSA-N	192.081	2.599	50	50	AFGA	in-vitro
C#CCO[Si](C)(C)C(C)(C)C	169876753	ZYDKYFIXEYSNPO-UHFFFAOYSA-N	170.328	2.641	50	50	AFGA	in-vitro
C[Si](C)(C)C#CCCCCl	169744009	UPVHIBLXQNNITH-UHFFFAOYSA-N	174.747	2.886	50	50	AFGA	
C[Si](C)(C)CCCCl	169746868	QXDDDCNYAAJLBT-UHFFFAOYSA-N	150.725	2.954	50	50	AFGA	
CC[C@@H](C)SSc1ncc[nH]1	8687	BPBPYQWMFCTCNG-ZCFIWIBFSA-N	188.321	2.949	50	50	AFGA	investigational
Fc1ccc(N=C=S)cc1	167224	NFIUJHJMCQQYDL-UHFFFAOYSA-N	153.181	2.560	50	50	AFGA	in-vitro
S=C=NC1C2CC3CC(C2)CC1C3	2518755	OVZVJRMIRGTHAP-UHFFFAOYSA-N	193.315	2.914	50	50	AFGA	
Cc1ccc(C(=O)Cl)c(F)c1	2527802	SVSVOPWCUHQFAM-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	
O=P(Cl)(Cl)CCl	100072815	FZXSSJIKXCFPDP-UHFFFAOYSA-N	167.359	2.853	50	50	AFGA	in-vitro
Cl/C=C(/Cl)CCl	71774050	HIILBTHBHCLUER-HNQUOIGGSA-N	145.416	2.544	50	50	AFGA	
Cl/C=C(\Cl)CCl	1640049	HIILBTHBHCLUER-IWQZZHSRSA-N	145.416	2.544	50	50	AFGA	
CCC[C@@H](CC)OC(=O)Cl	148158872	ZMSXSTNHWZHSLE-ZCFIWIBFSA-N	164.632	2.941	50	50	AFGA	in-vitro
C/C(C=O)=C\c1cc(Cl)ccc1O	5516751	BHOJOPIJARRCBE-QPJJXVBHSA-N	196.633	2.648	50	50	AFGA	in-vitro
CC(C)(C(=O)Cl)c1ccccc1	11833287	XSKYEGXKYATCRE-UHFFFAOYSA-N	182.650	2.730	50	50	AFGA	in-vitro
CC(C)Oc1ccc(CCl)cn1	34343577	GVHKMZYULLYZAS-UHFFFAOYSA-N	185.654	2.608	50	50	AFGA	in-vitro
O=C(Cl)c1cc(Cl)ccc1F	2382083	VWGAATKTEAKOCO-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
C[C@H](N=C=S)c1ccccc1	164719	QQCJPTVZIZVKEZ-QMMMGPOBSA-N	163.245	2.850	50	50	AFGA	biogenic,in-vitro
O=C(Cl)Cc1cccc(Cl)c1	39148246	PYPMKORNJLTHGP-UHFFFAOYSA-N	189.041	2.648	50	50	AFGA	in-vitro
CCOC(=O)[C@H](Cl)c1ccccc1	1666178	XXRLJXZVZZXDPP-SECBINFHSA-N	198.649	2.530	50	50	AFGA	
O=C(CCl)[C@@H]1CCCC2(CC2)C1	575512863	URVHIJJDOJVADX-MRVPVSSYSA-N	186.682	2.765	50	50	AFGA	
COc1ccc(C)cc1N=C=S	4262511	CYKFAZDMLSXWKZ-UHFFFAOYSA-N	179.244	2.738	50	50	AFGA	in-vitro
CCOc1ccccc1N=C=S	153362	MAHMRCJOZYLGOW-UHFFFAOYSA-N	179.244	2.820	50	50	AFGA	in-vitro
C=CCCCCCl	1845545	BLMIXWDJHNJWDT-UHFFFAOYSA-N	118.607	2.582	50	50	AFGA	
CCOC(=N)[C@H](Cl)c1ccccc1	101018929	XDZQJMYSJJLLAT-SECBINFHSA-N	197.665	2.980	50	50	AFGA	
ClCCCCO[C@H]1CCCCO1	1613286	SZZINZURZKQZLG-VIFPVBQESA-N	192.686	2.549	50	50	AFGA	in-vitro
[C-]#[N+]Cc1cccc(Cl)c1	95698305	DCNIQWCLKSMOFS-UHFFFAOYSA-N	151.596	2.759	50	50	AFGA	
Fc1cccc(CBr)c1	1592391	SCBZBMXPJYMXRC-UHFFFAOYSA-N	189.027	2.721	50	50	AFGA	in-vitro
BrC1C2CCC1CC2	2568339	WHGPQZJYJWIBGZ-UHFFFAOYSA-N	175.069	2.570	50	50	AFGA	
O=C(Cl)OCc1ccccc1	388130	HSDAJNMJOMSNEV-UHFFFAOYSA-N	170.595	2.562	50	50	AFGA	in-vitro
COc1ccc(F)cc1CCl	1732076	FOTSHPRQKUKARE-UHFFFAOYSA-N	174.602	2.573	50	50	AFGA	in-vitro
O=C(Cl)c1cc(F)ccc1Cl	2382063	SGZSJPBASHYOHQ-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
Cc1cccc(C(=O)Cl)c1F	16159555	NSTPTACIJICVFN-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	
ClCOCC(Cl)(Cl)Cl	71791827	GXHPCVJGAHVTGO-UHFFFAOYSA-N	197.876	2.570	50	50	AFGA	in-vitro
CCCC(=O)[C@@H](Br)CC	44960036	SFKVBRLKXVRUQW-LURJTMIESA-N	193.084	2.529	50	50	AFGA	
COc1cccc2c1[C@H]1C[C@H]2C=C1C#N	100941011	NMBDJHWLMRYGKJ-KCJUWKMLSA-N	197.237	2.730	50	50	AFGA	
O=C(Cl)c1ccc2ccccc2n1	2583623	WFVMVMAUXYOQSW-UHFFFAOYSA-N	191.617	2.614	50	50	AFGA	
Cc1ccccc1NC(=O)CCCl	6218256	GOWBOXSTKDXKSK-UHFFFAOYSA-N	197.665	2.562	50	50	AFGA	in-vitro
Fc1ccc(CCl)c(F)c1	2572862	XPGHWBDZNQUUQD-UHFFFAOYSA-N	162.566	2.704	50	50	AFGA	in-vitro
F[PH-](F)(F)(F)F	1857790621	RRMQJRTXKIOWGL-UHFFFAOYSA-N	126.972	2.695	50	50	AFGA	
CCCCCC/C=C/C=O	1571215	BSAIUMLZVGUGKX-BQYQJAHWSA-N	140.226	2.712	50	50	AFGA	in-vitro,metabolite
O[C@@H](CCl)c1ccc(Cl)cc1	6093250	FMVSIWSINRIEKZ-QMMMGPOBSA-N	191.057	2.612	50	50	AFGA	in-vitro
S=C=NCC1CCCCC1	1593014	RYBJNWIQNLZNPE-UHFFFAOYSA-N	155.266	2.670	50	50	AFGA	in-vitro
Cc1ccccc1/C=C/C(=O)Cl	2574171	ISMYAVWQKWXKOM-VOTSOKGWSA-N	180.634	2.774	50	50	AFGA	in-vitro
O=C(Cl)c1ccc(F)cc1Cl	2159625	POIAZJJVWRVLBO-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
CCc1ccccc1C(=O)Cl	39056301	PJGFNNXYKMSCCU-UHFFFAOYSA-N	168.623	2.628	50	50	AFGA	
CCCCCCNCCCCl	5418445	YPWXGVGZOWKQPY-UHFFFAOYSA-N	177.719	2.785	50	50	AFGA	
C[C@@H](C=O)O[Si](C)(C)C(C)(C)C	195917415	YMIIHJBTQLZXBV-QMMMGPOBSA-N	188.343	2.596	50	50	AFGA	
Cc1ccc2nc(CCl)oc2c1	3883643	XHGXJTDZCATPBF-UHFFFAOYSA-N	181.622	2.875	50	50	AFGA	in-vitro
Sc1cccc(CCl)c1	166048494	BYZHVVPVIIFYIR-UHFFFAOYSA-N	158.653	2.714	50	50	AFGA	
O=Cc1ccc(C(Cl)Cl)cc1	164564107	UMFGCTFGHULLPN-UHFFFAOYSA-N	189.041	2.975	50	50	AFGA	
Cc1cccc(CN=C=S)c1	2528115	NUXFAFWRXGFTQJ-UHFFFAOYSA-N	163.245	2.598	50	50	AFGA	in-vitro
CCCCCC#CCBr	2556434	QKPBYOBXEXNWOA-UHFFFAOYSA-N	189.096	2.965	50	50	AFGA	
C[C@@]12CCC=C3CCC=C(C=O)[C@@H]1[C@H]32	71786374	MGQZRJZUHXMPRO-XQQFMLRXSA-N	188.270	2.878	50	50	AFGA	
Cc1ccc(C(=O)CCl)cc1C	3276782	DFSBSZYRJJTTDU-UHFFFAOYSA-N	182.650	2.725	50	50	AFGA	in-vitro
Cc1cccc(CCl)c1	1707966	LZBOHNCMCCSTJX-UHFFFAOYSA-N	140.613	2.734	50	50	AFGA	
CCCC(CCC)C(=O)Cl	2510097	PITHYUDHKJKJNQ-UHFFFAOYSA-N	162.660	2.968	50	50	AFGA	
ClCc1cnc(Cl)s1	2572329	VRMUIVKEHJSADG-UHFFFAOYSA-N	168.048	2.535	50	50	AFGA	
Cc1ccc(N=C=S)cc1[N+](=O)[O-]	40571736	USIRHWNHZJWHQH-UHFFFAOYSA-N	194.215	2.638	50	50	AFGA	
O=C1CCCCCC[C@H]1Cl	5133715	ZUHGCXDUBLZMAG-SSDOTTSWSA-N	160.644	2.517	50	50	AFGA	
F[C@H](Cl)C(F)(Cl)Cl	63148429	BQNSLJQRJAJITR-SFOWXEAESA-N	169.385	2.622	50	50	AFGA	
O=C(Cl)c1cc2sccc2[nH]1	4277368	VNQRJHHQMJRWME-UHFFFAOYSA-N	185.635	2.608	50	50	AFGA	
Cc1cc(N=C=O)ccc1Cl	36533228	CXYBLHZWJJNVQE-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	in-vitro
Cc1nc2ccccc2nc1CCl	1440102	MXANKYKNKHBMTR-UHFFFAOYSA-N	192.649	2.677	50	50	AFGA	in-vitro
O=C(Cl)c1ccc(Cl)cc1F	2506767	PWHFJLCMUCFYRQ-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	
Fc1ccc(F)c(N=C=S)c1F	2506743	KQHIVGMNRITYBE-UHFFFAOYSA-N	189.161	2.838	50	50	AFGA	
ClC1CCCCCC1	55345785	KMJSGLZXFNSANB-UHFFFAOYSA-N	132.634	2.948	50	50	AFGA	in-vitro
CC1(C(=O)Cl)CCCCC1	2162290	STPXIOFWKOIYHX-UHFFFAOYSA-N	160.644	2.722	50	50	AFGA	in-vitro
Cc1ccc(F)c(C(=O)Cl)c1F	2574949	LXCIIPPXRHOCQN-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	in-vitro
CSSc1ccoc1C	1845140	SRUTWBWLFKSTIS-UHFFFAOYSA-N	160.263	2.958	50	50	AFGA	endogenous,in-man
ClCOc1ccc(Cl)cc1	2242619	PJLGIZXAYTZSIZ-UHFFFAOYSA-N	177.030	2.915	50	50	AFGA	
Fc1ccc(N=C=S)c(F)c1	164717	ABGGPKIFVAIRGU-UHFFFAOYSA-N	171.171	2.699	50	50	AFGA	in-vitro
C[C@@H](Cl)c1ccc([N+](=O)[O-])cc1	2172954	LATFGMPDXQAUFT-ZCFIWIBFSA-N	185.610	2.895	50	50	AFGA	in-vitro
O=C(Cl)/C=C\c1ccc(F)cc1	33369409	GLBIKPKWQDIQCJ-UTCJRWHESA-N	184.597	2.604	50	50	AFGA	
C[C@@H](CCl)C(=O)c1ccccc1	2141662	VAMAAKQTBVOJPR-QMMMGPOBSA-N	182.650	2.744	50	50	AFGA	
FC1(F)CCCC[C@H]1Cl	66324271	NBLOIUSLEWOOKM-RXMQYKEDSA-N	154.587	2.803	50	50	AFGA	
CCOC(=O)c1ccccc1CCl	2515968	QQOVRPBUAUNBAV-UHFFFAOYSA-N	198.649	2.602	50	50	AFGA	in-vitro
O=C(CCl)c1ccc(C2CC2)cc1	1857786224	CZLIYBUMKUKKOQ-UHFFFAOYSA-N	194.661	2.986	50	50	AFGA	
O=C(CCCl)c1ccc(F)cc1	1668580	AAHQPLJUSLMHHR-UHFFFAOYSA-N	186.613	2.637	50	50	AFGA	in-vitro
C=C(C)CCCBr	78675989	MNDPGMGRNPDFCC-UHFFFAOYSA-N	163.058	2.738	50	50	AFGA	in-vitro
ClC[C@H](Cl)C(Cl)Cl	2017293	BUQMVYQMVLAYRU-REOHCLBHSA-N	181.877	2.636	50	50	AFGA	
ClCc1ccc2c(c1)OCCCO2	4277276	PXZCFOABYOEFPQ-UHFFFAOYSA-N	198.649	2.587	50	50	AFGA	in-vitro
Fc1ccccc1CBr	1847409	FFWQLZFIMNTUCZ-UHFFFAOYSA-N	189.027	2.721	50	50	AFGA	in-vitro
Cc1ccc(CCBr)cc1	2510009	IAZCKSJRRRXZEY-UHFFFAOYSA-N	199.091	2.932	50	50	AFGA	
CC(CCl)(CCl)CCl	1761876	BYXOMFFBGDPXHB-UHFFFAOYSA-N	175.486	2.709	50	50	AFGA	
CCCC[C@H](C)N=C=S	2528213	GCZWLZBNDSJSQF-ZETCQYMHSA-N	143.255	2.668	50	50	AFGA	
FC(F)(F)c1cccc(CCl)n1	95616316	IZCYKFUHFBLPJN-UHFFFAOYSA-N	195.571	2.839	50	50	AFGA	in-vitro
ClCc1ccccc1-n1cccn1	19090354	YCNALCGXMSNGPT-UHFFFAOYSA-N	192.649	2.611	50	50	AFGA	in-vitro
O=Cc1cccc(OCCCCl)c1	9261521	IXNHDPVJSRAWGR-UHFFFAOYSA-N	198.649	2.507	50	50	AFGA	
O=C=Nc1ccc(Cl)c(Cl)c1	1707972	MFUVCHZWGSJKEQ-UHFFFAOYSA-N	188.013	2.961	50	50	AFGA	aggregator
Fc1ccc(CCCl)cc1	1847568	LPUURRVXQCVXCX-UHFFFAOYSA-N	158.603	2.607	50	50	AFGA	in-vitro
CC(C)C/C=C(/C=O)C(C)C	2009356	IOLQAHFPDADCHJ-POHAHGRESA-N	154.253	2.814	50	50	AFGA	
O=C(Cl)c1cccc(CCl)c1	2242597	YCAIYRWHKSJKEB-UHFFFAOYSA-N	189.041	2.804	50	50	AFGA	in-vitro
CC(C)CSC(=O)Cl	39475969	COAWFKOHQQDMBK-UHFFFAOYSA-N	152.646	2.734	50	50	AFGA	
Fc1cc(Cl)cnc1CCl	91692945	BUFISNWLULQMCP-UHFFFAOYSA-N	180.009	2.613	50	50	AFGA	in-vitro
O[C@@H](CCl)c1cccc(Cl)c1	12649360	LBSKQOSGSUKVDG-QMMMGPOBSA-N	191.057	2.612	50	50	AFGA	
O=C(CCl)[C@@H]1CC12CCCCC2	1857781292	FYOUFYRZBIFJRK-QMMMGPOBSA-N	186.682	2.765	50	50	AFGA	
CCCC[C@@H](C)Cl	2013437	GLCIPJOIEVLTPR-ZCFIWIBFSA-N	120.623	2.804	50	50	AFGA	
C=CCSSCCC	2038819	FCSSPCOFDUKHPV-UHFFFAOYSA-N	148.296	2.964	50	50	AFGA	endogenous,in-man
O=C(Cl)CCCCCCl	2390198	WZILXAPNPKMOSA-UHFFFAOYSA-N	169.051	2.551	50	50	AFGA	
Cc1cc(C(=O)Cl)c(C)s1	16124677	QWQVQKIVNYYIFN-UHFFFAOYSA-N	174.652	2.744	50	50	AFGA	in-vitro
O=C(Cl)c1ccc(C2CC2)cc1	95917667	PFLSDXYKTMMDEA-UHFFFAOYSA-N	180.634	2.943	50	50	AFGA	in-vitro
N#CC(C#N)=C1CCc2cc(F)ccc21	4541989	WTHRDUBAHUTTDW-UHFFFAOYSA-N	198.200	2.573	50	50	AFGA	
CC[C@H](C(=O)Cl)c1ccccc1	2035247	QGXMHCMPIAYMGT-VIFPVBQESA-N	182.650	2.946	50	50	AFGA	
Cc1cccc(N=C=S)c1	164656	BDPQUWSFKCFOST-UHFFFAOYSA-N	149.218	2.729	50	50	AFGA	
COc1ccc2c(c1)/C(=C/C#N)CC2	36466710	JGYYQCFIZIIWLL-UXBLZVDNSA-N	185.226	2.548	50	50	AFGA	in-vitro
ClC1CCCCC1	1586739	UNFUYWDGSFDHCW-UHFFFAOYSA-N	118.607	2.558	50	50	AFGA	in-vitro
CC(C)Cc1cc(CCl)no1	34928916	BGVAJYBLQVTTGU-UHFFFAOYSA-N	173.643	2.612	50	50	AFGA	in-vitro
ClCc1ccc2ncccc2c1	14001307	OBNGWZDUQKEARE-UHFFFAOYSA-N	177.634	2.974	50	50	AFGA	in-vitro
CCCC[C@H](CC)CN=C=O	39254645	BHDCTKUOBUNTTP-VIFPVBQESA-N	155.241	2.539	50	50	AFGA	
CC(C)(C)c1ncc(CCl)o1	575471094	AMANSOARWLEEFM-UHFFFAOYSA-N	173.643	2.711	50	50	AFGA	
FC(F)c1cccc(CCl)n1	98181472	FYEGRVPMZGRRAQ-UHFFFAOYSA-N	177.581	2.758	50	50	AFGA	in-vitro
N#Cc1c(CCl)cn2ccccc12	3294783	QJEGZGGXGQIJLS-UHFFFAOYSA-N	190.633	2.550	50	50	AFGA	in-vitro
N#CC(C#N)=C1CCCc2ccccc21	2171812	ZEJZIWLBVDFZEK-UHFFFAOYSA-N	194.237	2.824	50	50	AFGA	
Cc1cccc(NC(=O)CCCl)c1	6217039	XZPLSUAKDONHQY-UHFFFAOYSA-N	197.665	2.562	50	50	AFGA	in-vitro
C=C[Si](C)(C)O[Si](C)(C)C=C	169743127	BITPLIXHRASDQB-UHFFFAOYSA-N	186.403	2.864	50	50	AFGA	in-vitro
C[C@@](O)(CCCCl)c1ccccc1	3121830	SXPWSYFGPRVEQY-LLVKDONJSA-N	198.693	2.913	50	50	AFGA	
O=C(Cl)[C@H](Cl)c1ccccc1	2140828	FGEAOSXMQZWHIQ-SSDOTTSWSA-N	189.041	2.732	50	50	AFGA	
CCN(C(=O)Cl)c1ccccc1	1696712	CDGCUPPKLDOYGV-UHFFFAOYSA-N	183.638	2.872	50	50	AFGA	
OC/C=C/S(F)(F)(F)(F)F	100525428	MGHHQQCFLJIKOP-HNQUOIGGSA-N	184.129	2.791	50	50	AFGA	in-vitro
C[C@H](C=O)O[Si](C)(C)C(C)(C)C	195835888	YMIIHJBTQLZXBV-MRVPVSSYSA-N	188.343	2.596	50	50	AFGA	in-vitro
C/C(C=O)=C(/Cl)c1ccccc1F	160416248	CRDZLARZUZLUGZ-YFHOEESVSA-N	198.624	2.994	50	50	AFGA	in-vitro
Cc1ccc([N+](=O)[O-])cc1N=C=S	335470	IQINAWYOKXCYQO-UHFFFAOYSA-N	194.215	2.638	50	50	AFGA	in-vitro
C[C@@H](Br)CC(F)(F)F	63148386	ITNPTWVMDAVXRW-GSVOUGTGSA-N	190.990	2.722	50	50	AFGA	in-vitro
CCCC[C@@H](C)C(=O)Cl	2244282	WKEBLSOTVYFYKY-ZCFIWIBFSA-N	148.633	2.578	50	50	AFGA	in-vitro
CC[Si](CC)(CC)OC	195784661	HUZZQXYTKNNCOU-UHFFFAOYSA-N	146.306	2.638	50	50	AFGA	
Fc1ccccc1CCl	164432	MOBRMRJUKNQBMY-UHFFFAOYSA-N	144.576	2.565	50	50	AFGA	in-vitro
O=C(Cl)c1ccccc1CCl	21989021	TXZFBHYDQGYOIT-UHFFFAOYSA-N	189.041	2.804	50	50	AFGA	in-vitro
C[C@H]1CCCC/C1=C\C#N	101139359	CKXFDXISILXMDA-CYXIBPNKSA-N	135.210	2.646	50	50	AFGA	
N#CC=C1C2CC3CC(C2)CC1C3	4782638	NHZXMVAENZWIOM-UHFFFAOYSA-N	173.259	2.892	50	50	AFGA	
Cc1ccccc1N=C=S	164658	JYKYYPPZLPVIBY-UHFFFAOYSA-N	149.218	2.729	50	50	AFGA	in-vitro
O=C(Cl)c1ccc(Cl)s1	2168777	BMPDCQVRKDNUAP-UHFFFAOYSA-N	181.043	2.781	50	50	AFGA	
COc1ccc(C(C)=O)cc1CCl	159193	BNLRVFJSVGTTGG-UHFFFAOYSA-N	198.649	2.637	50	50	AFGA	in-vitro
COc1cccc(F)c1CCl	39365088	JJCHKLPYNULYDQ-UHFFFAOYSA-N	174.602	2.573	50	50	AFGA	in-vitro
Cc1ccc(N=C=S)c([N+](=O)[O-])c1	4269006	CUQUTWSUXWDJKF-UHFFFAOYSA-N	194.215	2.638	50	50	AFGA	in-vitro
N#CC(C#N)=Cc1ccc2c(c1)CCC2	409817	BGVHORYYFCTZGB-UHFFFAOYSA-N	194.237	2.606	50	50	AFGA	
CC(C)(C)/C(Cl)=C/C#N	159941	KCVZJFYFJKNOFD-XQRVVYSFSA-N	143.617	2.679	50	50	AFGA	in-vitro
O=C(Cl)c1ccc(Cl)cc1	2041018	RKIDDEGICSMIJA-UHFFFAOYSA-N	175.014	2.719	50	50	AFGA	in-vitro
CCOP(Cl)Cl	95731772	PVCINRPAXRJLEP-UHFFFAOYSA-N	146.941	2.727	50	50	AFGA	
ClCSc1ccccc1	1737427	LLSMWLJPWFSMCP-UHFFFAOYSA-N	158.653	2.975	50	50	AFGA	in-vitro
CCCCCCCC[C@@H](O)C#N	101365679	PEZRXEBWVUSWAE-SNVBAGLBSA-N	169.268	2.621	50	50	AFGA	
CO[Si](C)(C)CCC(F)(F)F	169746965	QRLCLBZGWYJTHP-UHFFFAOYSA-N	186.249	2.790	50	50	AFGA	
CCCC(=O)[C@H](Br)CC	44960035	SFKVBRLKXVRUQW-ZCFIWIBFSA-N	193.084	2.529	50	50	AFGA	
CC(C)NC[C@H](Cl)c1ccccc1	71773340	IYQQOTVRGZODFO-NSHDSACASA-N	197.709	2.965	50	50	AFGA	
O[C@H](CCl)c1cc2ccccc2o1	166883507	CDHCVIVEPPHYOH-MRVPVSSYSA-N	196.633	2.705	50	50	AFGA	
CCCCCOC(=O)Cl	1586311	XHRRYUDVWPPWIP-UHFFFAOYSA-N	150.605	2.552	50	50	AFGA	
CCC(Br)CC	2039232	VTOQFOCYBTVOJZ-UHFFFAOYSA-N	151.047	2.570	50	50	AFGA	
Cc1ccc(F)cc1C(=O)Cl	2560325	HBAQRSDZSVESSF-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	in-vitro
C[Si](C)(C)CSCCl	170018560	IKWIERSJEROYFH-UHFFFAOYSA-N	168.765	2.793	50	50	AFGA	
ClCc1nc(C2CC2)cs1	68911515	TUDSCPGFWNTXOB-UHFFFAOYSA-N	173.668	2.759	50	50	AFGA	in-vitro
Cc1cc(F)cc(N=C=S)c1	85731478	KSMUHIIOUDVJKE-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	in-vitro
CCOC(=O)/C=C/CCCCCl	2559482	QRJDSTPXJIADET-FNORWQNLSA-N	190.670	2.515	50	50	AFGA	in-vitro
BrCC1CCCC1	32098865	XYZUWOHEILWUID-UHFFFAOYSA-N	163.058	2.572	50	50	AFGA	in-vitro
Cc1cccc([N+](=O)[O-])c1N=C=S	66318977	CBRHDOQUEZAOTB-UHFFFAOYSA-N	194.215	2.638	50	50	AFGA	
BrC[C@H]1C[C@H]2CC[C@H]1C2	100116951	CKZCOAFUOGZKIA-BIIVOSGPSA-N	189.096	2.818	50	50	AFGA	in-vitro
Cc1ccc(C(=O)Cl)c(F)c1F	2382365	IHRMSSGDXMQPBA-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	in-vitro
Fc1ccc(CN=C=S)c(F)c1	31829483	XQZMDAOAFSOBHF-UHFFFAOYSA-N	185.198	2.568	50	50	AFGA	
CCOP(=O)(Cl)Cl	8585873	YZBOZNXACBQJHI-UHFFFAOYSA-N	162.940	2.609	50	50	AFGA	
S=C=NCc1ccc(Cl)cc1	1755942	DEHXIHUIYSXZNH-UHFFFAOYSA-N	183.663	2.943	50	50	AFGA	in-vitro
F[C@H]1CCCC[C@H]1Br	63148569	AZQRVGXSORXOCR-RITPCOANSA-N	181.048	2.662	50	50	AFGA	in-vitro
O=[N+]([O-])c1cccc(/C=C/CCl)c1	3121793	VYHWMGGPQOROGN-DUXPYHPUSA-N	197.621	2.847	50	50	AFGA	
ClCCc1cccnc1Cl	1535641618	JEFPWHDFVYWVPI-UHFFFAOYSA-N	176.046	2.516	50	50	AFGA	
Fc1cc(F)c(N=C=S)c(F)c1	4290235	JPISVBDECFJHDB-UHFFFAOYSA-N	189.161	2.838	50	50	AFGA	in-vitro
F[C@@H]1CCCC[C@H]1Br	63148565	AZQRVGXSORXOCR-PHDIDXHHSA-N	181.048	2.662	50	50	AFGA	in-vitro
ClCCCCc1ccncc1	66327910	OMVNWHFRVCCONY-UHFFFAOYSA-N	169.655	2.643	50	50	AFGA	
F[C@H]1CCCC[C@@H]1Br	63148567	AZQRVGXSORXOCR-WDSKDSINSA-N	181.048	2.662	50	50	AFGA	in-vitro
ClCc1ccc2ccccc2n1	11535828	DDEAEWMDOSXKBX-UHFFFAOYSA-N	177.634	2.974	50	50	AFGA	in-vitro
Oc1ccc(Cl)c(CCl)c1	140245411	DRPYCBAFKIXBJX-UHFFFAOYSA-N	177.030	2.784	50	50	AFGA	
COc1cc(N=C=S)ccc1F	15443743	IRNGZDKFWJIFLU-UHFFFAOYSA-N	183.207	2.569	50	50	AFGA	
COc1ccc(CCl)cc1F	2541344	DDAXEANMRGIVDY-UHFFFAOYSA-N	174.602	2.573	50	50	AFGA	in-vitro
CCC[C@H](Cl)CC	2013439	BXSMMAVTEURRGG-ZCFIWIBFSA-N	120.623	2.804	50	50	AFGA	
CC(C)(Cl)CCCl	1845926	QGCOTJZDMVMLRQ-UHFFFAOYSA-N	141.041	2.633	50	50	AFGA	in-vitro
CCCCC/C=C/C=C/C=O	2014252	JZQKTMZYLHNFPL-BLHCBFLLSA-N	152.237	2.878	50	50	AFGA	in-vitro,metabolite
CC(C)c1cccc(N=C=O)c1	39103788	IVLLJZFRQMSRRX-UHFFFAOYSA-N	161.204	2.777	50	50	AFGA	in-vitro
CC(C)CCC(=O)C(Cl)Cl	5497661	VGLTVQLFDYVIRP-UHFFFAOYSA-N	183.078	2.795	50	50	AFGA	
Fc1cccc(CCl)c1	164512	XBDXMDVEZLOGMC-UHFFFAOYSA-N	144.576	2.565	50	50	AFGA	in-vitro
O=C(c1ccccc1)C(Cl)Cl	1684586	CERJZAHSUZVMCH-UHFFFAOYSA-N	189.041	2.673	50	50	AFGA	in-vitro
CN(C)CC[C@@H](Cl)c1ccccc1	21948752	YJWZCUHMWDKUES-LLVKDONJSA-N	197.709	2.918	50	50	AFGA	
O=C=Nc1ccc(C(F)(F)F)cc1	164849	QZTWVDCKDWZCLV-UHFFFAOYSA-N	187.120	2.673	50	50	AFGA	
ClCCCCCBr	1681995	PHHNNDKXQVKJEP-UHFFFAOYSA-N	185.492	2.790	50	50	AFGA	in-vitro
FP(F)(F)(F)F	242581669	OBCUTHMOOONNBS-UHFFFAOYSA-N	125.964	2.962	50	50	AFGA	in-vitro
Cc1ccc(CN=C=S)cc1	1755938	OAXIUBJXQISJEV-UHFFFAOYSA-N	163.245	2.598	50	50	AFGA	in-vitro
Cl[C@H]1CCCC[C@@H]1Cl	1627223	GZEZIBFVJYNETN-WDSKDSINSA-N	153.052	2.775	50	50	AFGA	in-vitro
N#CC1=Cc2cc(Cl)ccc2OC1	1388103	KHQQZPGTELLAOG-UHFFFAOYSA-N	191.617	2.639	50	50	AFGA	in-vitro
C[Si](C)(C)Oc1ccc(C=O)cc1	169746993	FLVQNLXVIRUAPB-UHFFFAOYSA-N	194.306	2.713	50	50	AFGA	
ClCc1ccc(-n2cccn2)cc1	4218391	PAINSRDHMRYAGK-UHFFFAOYSA-N	192.649	2.611	50	50	AFGA	in-vitro
CC(C)(C)[C@H](C#N)O[Si](C)(C)C	169925885	TYIFFJGNUDQZQG-QMMMGPOBSA-N	185.343	2.776	50	50	AFGA	in-vitro
N#CC1=C(Cl)CCCC1	43214880	AFMPUGDGNQTHOQ-UHFFFAOYSA-N	141.601	2.577	50	50	AFGA	in-vitro
ClP(Cl)Cl	245204610	FAIAAWCVCHQXDN-UHFFFAOYSA-N	137.333	2.930	50	50	AFGA	in-vitro
Cc1ccc(/C=C/C#N)cc1	2011992	WHECQDVQLPVCRX-NSCUHMNNSA-N	143.189	2.532	50	50	AFGA	in-vitro
CCC(=C(C#N)C#N)c1ccccc1	396743	KCJFQVHZCRRSIG-UHFFFAOYSA-N	182.226	2.897	50	50	AFGA	
F[C@@H](Cl)C(F)(F)Br	63148618	KFTODZKBBUMDQB-PVQJCKRUSA-N	197.381	2.509	50	50	AFGA	
Cc1ccc(F)cc1N=C=S	164807	QVCYTKXGZLOVFA-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	in-vitro
O=C(CCCCl)c1ccccc1	1707951	GHEFQKHLHFXSBR-UHFFFAOYSA-N	182.650	2.888	50	50	AFGA	in-vitro
C[Si](C)(C)O[Si](C)(C)C	169743072	UQEAIHBTYFGYIE-UHFFFAOYSA-N	162.381	2.673	50	50	AFGA	endogenous,world
ClCC(Cl)(Cl)Cl	8437800	QVLAWKAXOMEXPM-UHFFFAOYSA-N	167.850	2.595	50	50	AFGA	in-vitro
Fc1ccc(N=C=S)c(F)c1F	2389342	KTNHZGZWGZUKGE-UHFFFAOYSA-N	189.161	2.838	50	50	AFGA	
N#CSc1ccc2c(c1)CCCN2	238856504	WBNSNIRGCHXGBI-UHFFFAOYSA-N	190.271	2.618	50	50	AFGA	
Cc1ccc(C=C(C#N)C#N)c(C)c1	42428	OCKQQTWVONOSPQ-UHFFFAOYSA-N	182.226	2.734	50	50	AFGA	in-vitro
Cc1cc(F)c(F)cc1C(=O)Cl	67800081	FKPUDOJHYUYOHB-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
CO[Si](C)(C)Cc1ccccc1	169744953	FIQWLKKNIDPHPE-UHFFFAOYSA-N	180.323	2.620	50	50	AFGA	
Fc1cc(CCl)c(F)c(F)c1F	2585558	PVSKKLFYHHQKFR-UHFFFAOYSA-N	198.546	2.982	50	50	AFGA	in-vitro
N#CC(C#N)=Cc1c[nH]c2ccccc12	97348	KCGMQWDGOQQAGN-UHFFFAOYSA-N	193.209	2.598	50	50	AFGA	in-vitro
Cc1ccc(C)c(C(=O)CCl)c1	3246445	JVDITFWYVNXMQP-UHFFFAOYSA-N	182.650	2.725	50	50	AFGA	in-vitro
Cc1ccc(OC(=O)Cl)cc1	389522	XOFZPIYYMJUNRG-UHFFFAOYSA-N	170.595	2.733	50	50	AFGA	in-vitro
O=C(CCCCl)CCCCl	1690071	SCKUIKDAPAUGBE-UHFFFAOYSA-N	183.078	2.594	50	50	AFGA	in-vitro
CO[Si](OC)(C(C)C)C(C)C	169747569	VHPUZTHRFWIGAW-UHFFFAOYSA-N	176.332	2.541	50	50	AFGA	
F[C@@H]1CCCC[C@@H]1Br	63148563	AZQRVGXSORXOCR-NTSWFWBYSA-N	181.048	2.662	50	50	AFGA	in-vitro
BrC[C@@H]1C[C@H]2CC[C@H]1C2	101624805	CKZCOAFUOGZKIA-FXQIFTODSA-N	189.096	2.818	50	50	AFGA	in-vitro
CC[Si](O)(CC)Cc1ccccc1	169817213	ITHJHEWJBNKIAR-UHFFFAOYSA-N	194.350	2.746	50	50	AFGA	
FC(F)(F)c1ccc(CCl)cn1	154412	PRPAYPBERKUDKO-UHFFFAOYSA-N	195.571	2.839	50	50	AFGA	in-vitro
O=C(Cl)Oc1ccc(F)cc1	389521	MSBGPEACXKBQSX-UHFFFAOYSA-N	174.558	2.563	50	50	AFGA	in-vitro
F[C@@H](Cl)C(F)(Cl)Cl	63148427	BQNSLJQRJAJITR-PVQJCKRUSA-N	169.385	2.622	50	50	AFGA	
C[Si](C)(C)CCBr	196194582	HYRIFSNOTHOUQJ-UHFFFAOYSA-N	181.149	2.720	50	50	AFGA	in-vitro
Cl[C@H]1[C@H]2CC[C@@H](C2)[C@@H]1Cl	216198878	FRNCOQMOHQNWML-AXMZGBSTSA-N	165.063	2.631	50	50	AFGA	
Cc1cc(C)c(N=C=O)c(C)c1	2566253	HJHZRZFONUPQAA-UHFFFAOYSA-N	161.204	2.579	50	50	AFGA	in-vitro
BrCCc1ccsc1	54711038	XQZUHTDYDIRXPP-UHFFFAOYSA-N	191.093	2.686	50	50	AFGA	
S=C=NCCc1ccc(Cl)cc1	2390111	MRJJYUJULSZFDV-UHFFFAOYSA-N	197.690	2.985	50	50	AFGA	in-vitro
FC(F)(F)CCCCl	2576914	OUFCPOCAIPBDNE-UHFFFAOYSA-N	146.539	2.568	50	50	AFGA	in-vitro
BrCCc1cccs1	54967601	JSELWWIIPRBECO-UHFFFAOYSA-N	191.093	2.686	50	50	AFGA	
CCOc1ccc(CCl)cc1	2577828	DCLMJYZEOSDVCL-UHFFFAOYSA-N	170.639	2.824	50	50	AFGA	in-vitro
CC(=O)CO[Si](C)(C)C(C)(C)C	169743482	LHYDYTSJUGPFLA-UHFFFAOYSA-N	188.343	2.597	50	50	AFGA	in-vitro
Fc1cc(F)cc(CCl)c1	2572864	VNGSMSFVLAAOGK-UHFFFAOYSA-N	162.566	2.704	50	50	AFGA	in-vitro
Fc1ncc(Cl)cc1CCl	95616340	NVYINFAIMWUWER-UHFFFAOYSA-N	180.009	2.613	50	50	AFGA	in-vitro
C#CCCCCCCCl	59228957	HQHUHJPIECZMCX-UHFFFAOYSA-N	144.645	2.809	50	50	AFGA	
C[C@H](Br)CC(F)(F)F	63148385	ITNPTWVMDAVXRW-VKHMYHEASA-N	190.990	2.722	50	50	AFGA	in-vitro
Cc1nc(CCl)nc2ccccc12	1681137	UHCUBOJGMLASBY-UHFFFAOYSA-N	192.649	2.677	50	50	AFGA	in-vitro
C[C@H]1CCCC[C@H]1C(=O)Cl	4268756	KGMWXVAUXAJKIV-NKWVEPMBSA-N	160.644	2.578	50	50	AFGA	
Fc1ccc(CCl)cc1	559398	IZXWCDITFDNEBY-UHFFFAOYSA-N	144.576	2.565	50	50	AFGA	in-vitro
CC(=O)c1cc(CCl)cs1	1296250	NCDGDGCGEPGKBS-UHFFFAOYSA-N	174.652	2.690	50	50	AFGA	in-vitro
CC(C)[C@@](C)(C#N)O[Si](C)(C)C	169925851	SFFRRJOBHYONKP-SECBINFHSA-N	185.343	2.776	50	50	AFGA	
S=C=NC1CCCCCC1	4254038	ZGNJAJWMDQTLQC-UHFFFAOYSA-N	155.266	2.812	50	50	AFGA	in-vitro
CCc1cccc(N=C=S)c1	2390092	FRMFJQIVPNSSPX-UHFFFAOYSA-N	163.245	2.983	50	50	AFGA	in-vitro
O=C(F)c1cccc(Cl)c1F	2540180	OXAUIKNREWJQFP-UHFFFAOYSA-N	176.549	2.589	50	50	AFGA	in-vitro
Fc1cc(F)c(CCl)cc1F	2560213	JMXPOOVDUVHJRO-UHFFFAOYSA-N	180.556	2.843	50	50	AFGA	in-vitro
N#CC(C#N)=Cc1ccccc1Cl	160747	JJNZXLAFIPKXIG-UHFFFAOYSA-N	188.617	2.771	50	50	AFGA	in-vitro
S=C=Nc1ccc2c(c1)CCC2	2528076	DRZNKOAIZHUADV-UHFFFAOYSA-N	175.256	2.910	50	50	AFGA	in-vitro
Fc1ccc(OCCCCl)cc1	1995200	DFFWYMMOMUTKOI-UHFFFAOYSA-N	188.629	2.833	50	50	AFGA	in-vitro
Cc1ccc(NC(=O)[C@H](C)Cl)cc1	1657273	FTKDWGYLOVAMPG-QMMMGPOBSA-N	197.665	2.561	50	50	AFGA	in-vitro
O=C(Cl)c1c(F)cccc1Cl	2556064	GFNAJZAKJGKJCS-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
CCc1cccc(C)c1C(=O)Cl	39056585	KLBUZXYRJZWDTK-UHFFFAOYSA-N	182.650	2.936	50	50	AFGA	
Cc1ccc(C(=O)Cl)cc1F	2567367	DPWCZSXNEGNALT-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	in-vitro
CC(C)Oc1ncccc1CCl	40886337	JMFOYBFHPLLXLF-UHFFFAOYSA-N	185.654	2.608	50	50	AFGA	in-vitro
CC(C)(C)OOC(C)(C)C	1596407	LSXWFXONGKSEMY-UHFFFAOYSA-N	146.230	2.532	50	50	AFGA	in-vitro
CCOc1ccc(C=C(C#N)C#N)cc1	43559	KJYWHLYEROGTCD-UHFFFAOYSA-N	198.225	2.516	50	50	AFGA	biogenic,in-vitro
CCCCSC(=O)Cl	39475963	YGLZPZAKCIKQKR-UHFFFAOYSA-N	152.646	2.879	50	50	AFGA	
CCN(CCCl)Cc1ccccc1	1718314	PEDYEFUCMXSQJM-UHFFFAOYSA-N	197.709	2.747	50	50	AFGA	
O=C(Cl)C1(c2ccc(F)cc2)CC1	32267618	WIRGIPDZVAHMGC-UHFFFAOYSA-N	198.624	2.623	50	50	AFGA	in-vitro
COc1ccc(/C(Cl)=C\C#N)cc1	33374141	PRZFNAAMKVRGRG-UXBLZVDNSA-N	193.633	2.798	50	50	AFGA	in-vitro
BrC1Cc2ccccc2C1	57809273	APYDCTAPNKFTRB-UHFFFAOYSA-N	197.075	2.549	50	50	AFGA	in-vitro
Cc1ccc(F)c(F)c1C(=O)Cl	263624547	RKWCUGWVUPUETC-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
O=C(CCl)C[C@H]1CCCC12CC2	1857786663	RETPPNQNJPYJRL-MRVPVSSYSA-N	186.682	2.765	50	50	AFGA	
FC(Cl)(Cl)CCCl	2572171	UQIKKIADJVUSNI-UHFFFAOYSA-N	165.422	2.716	50	50	AFGA	
Cl[C@H]1[C@H]2CC[C@@H](C2)[C@H]1Cl	100275537	FRNCOQMOHQNWML-ZTYPAOSTSA-N	165.063	2.631	50	50	AFGA	
Fc1cccc(CCl)c1F	2384123	OVUKQQRPTLPXTD-UHFFFAOYSA-N	162.566	2.704	50	50	AFGA	in-vitro
O=C=Nc1cccc(C(F)(F)F)c1	2040817	SXJYSIBLFGQAND-UHFFFAOYSA-N	187.120	2.673	50	50	AFGA	
O=C=Nc1cccc2c1CCCC2	6863546	CGGOJVMAVIDVMK-UHFFFAOYSA-N	173.215	2.533	50	50	AFGA	in-vitro
CCCC[C@H](C)C(=O)Cl	4202500	WKEBLSOTVYFYKY-LURJTMIESA-N	148.633	2.578	50	50	AFGA	in-vitro
OC[C@@H](Cl)c1cccc(Cl)c1	12649351	KOUAUXUHMNXWOY-MRVPVSSYSA-N	191.057	2.612	50	50	AFGA	in-vitro
Cc1ccc(Cl)c(CCl)n1	238479802	AEUIZEWLIWITRI-UHFFFAOYSA-N	176.046	2.782	50	50	AFGA	
CC1=C(C=O)C(C)(C)CCC1	5766948	MOQGCGNUWBPGTQ-UHFFFAOYSA-N	152.237	2.712	50	50	AFGA	endogenous,in-man
CC1=CC[C@H](Cl)CC1	71782689	ITSBMDIPOXKIQT-ZETCQYMHSA-N	130.618	2.724	50	50	AFGA	
CCC[C@@H](Cl)CC	2013440	BXSMMAVTEURRGG-LURJTMIESA-N	120.623	2.804	50	50	AFGA	
C[C@H]1CCCC[C@@H]1C(=O)Cl	2574133	KGMWXVAUXAJKIV-BQBZGAKWSA-N	160.644	2.578	50	50	AFGA	
Cc1ccccc1NC(=O)[C@H](C)Cl	3379377	YWSVGMSGVIXGPW-QMMMGPOBSA-N	197.665	2.561	50	50	AFGA	
Cc1ccc(O[C@H](C)C(=O)Cl)cc1	33432938	GQDQDWHOFAGXHB-MRVPVSSYSA-N	198.649	2.528	50	50	AFGA	
Fc1ccc(F)c(CCl)c1	2572863	INXKTZMJFPRVAY-UHFFFAOYSA-N	162.566	2.704	50	50	AFGA	in-vitro
Fc1cccc(N=C=S)c1F	2506747	LXZMTMXKVJBKNI-UHFFFAOYSA-N	171.171	2.699	50	50	AFGA	in-vitro
N#C[C@H](Br)c1ccccc1	5934388	XUHFBOUSHUEAQZ-QMMMGPOBSA-N	196.047	2.646	50	50	AFGA	in-vitro
C[C@@H]1CCCC[C@@H]1C(=O)Cl	4268751	KGMWXVAUXAJKIV-RQJHMYQMSA-N	160.644	2.578	50	50	AFGA	
ClC1CCC(Cl)CC1	2507991	WQTINZDWAXJLGH-UHFFFAOYSA-N	153.052	2.775	50	50	AFGA	
Oc1ccc(CCl)c2cccnc12	43876	JGOBHUWKRDXZEY-UHFFFAOYSA-N	193.633	2.679	50	50	AFGA	in-vitro
Cc1cc(F)c(C(=O)Cl)c(F)c1	168004712	ZLBAUHHSQCWIPJ-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
CC(C)CCC[C@@H](C)N=C=O	62822263	UNZWJJCMBFKLOT-SECBINFHSA-N	155.241	2.537	50	50	AFGA	
S=C=NCc1ccccc1Cl	1755941	RMVDNJDSLXQPAV-UHFFFAOYSA-N	183.663	2.943	50	50	AFGA	in-vitro
CC(C)(C)c1ccccc1N=C=O	161608	YQQNLONQWMLAQX-UHFFFAOYSA-N	175.231	2.951	50	50	AFGA	in-vitro
Cc1ccc(O[C@@H](C)C(=O)Cl)cc1	33432939	GQDQDWHOFAGXHB-QMMMGPOBSA-N	198.649	2.528	50	50	AFGA	
CSc1ccc(C(=O)Cl)cc1	1995312	MIEJPWILCQAQKT-UHFFFAOYSA-N	186.663	2.788	50	50	AFGA	
C=CC[Si](C)(C)CCl	169747113	UHHLOVCFFWGSMO-UHFFFAOYSA-N	148.709	2.659	50	50	AFGA	in-vitro
CC(C)=CCCBr	1765202	UNXURIHDFUQNOC-UHFFFAOYSA-N	163.058	2.738	50	50	AFGA	
O=C(Cl)c1sccc1Cl	2170127	GCPHKTQMABHWPY-UHFFFAOYSA-N	181.043	2.781	50	50	AFGA	
ClCC(Cl)(Cl)CCl	2019809	UDPHJTAYHSSOQB-UHFFFAOYSA-N	181.877	2.638	50	50	AFGA	
CCCCCCOC(=O)Cl	2034204	KIWBRXCOTCXSSZ-UHFFFAOYSA-N	164.632	2.942	50	50	AFGA	
CCc1cc(C(=O)Cl)cs1	39056445	GNEDFVAQXNGHSK-UHFFFAOYSA-N	174.652	2.690	50	50	AFGA	in-vitro
Cc1cc(SC#N)c(Cl)cc1N	38537537	NFXSLDRQHOANJR-UHFFFAOYSA-N	198.678	2.804	50	50	AFGA	in-vitro
CN(C)CC[C@H](Cl)c1ccccc1	2599282	YJWZCUHMWDKUES-NSHDSACASA-N	197.709	2.918	50	50	AFGA	
CCC(=O)c1ccc(O)c(CCl)c1	3130196	PKTAOUSNHLFLOJ-UHFFFAOYSA-N	198.649	2.724	50	50	AFGA	
CCCCCC[C@H](C)N=C=O	2548075	FTWPDIQXUDUDPL-VIFPVBQESA-N	155.241	2.681	50	50	AFGA	
CC(C)(C)CC(C)(C)N=C=O	1693448	XOHBENIMDRFUIH-UHFFFAOYSA-N	155.241	2.537	50	50	AFGA	in-vitro
C[C@@H](C(=O)Cl)c1ccccc1	4269947	FOTITZRWZUAVPH-SSDOTTSWSA-N	168.623	2.556	50	50	AFGA	in-vitro
CC[C@H](Cl)CCC(=O)Cl	96024955	NLMAMSOFICKDPA-YFKPBYRVSA-N	169.051	2.549	50	50	AFGA	in-vitro
ClCC12CC(Br)(C1)C2	136378500	GMTGSQOHLPRTOA-UHFFFAOYSA-N	195.487	2.543	50	50	AFGA	
O=C=Nc1cc(Cl)cc(Cl)c1	164665	XEFUJGURFLOFAN-UHFFFAOYSA-N	188.013	2.961	50	50	AFGA	
N#CC1=C[C@H]2C[C@H]1c1cccc(C#N)c12	100941083	FKQQTMCKMQUPSN-JOYOIKCWSA-N	192.221	2.593	50	50	AFGA	
CC(C)(C)c1cccc(N=C=O)c1	113260692	XCRZAUANPRGEST-UHFFFAOYSA-N	175.231	2.951	50	50	AFGA	
Cc1cc(Cl)ccc1N=C=O	2566257	FTZJLXIATZSKIL-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	
Cc1cccc(C(=O)Cl)c1C	2168858	WFNKMVDATNLZBX-UHFFFAOYSA-N	168.623	2.682	50	50	AFGA	in-vitro
CC(=O)c1ccc(N=C=S)cc1	2579203	KAKXOESNHIUYJT-UHFFFAOYSA-N	177.228	2.624	50	50	AFGA	in-vitro
CCCCCCBr	1696693	MNDIARAMWBIKFW-UHFFFAOYSA-N	165.074	2.962	50	50	AFGA	
C[Si](C)(C)C(Cl)Cl	170172682	XJTUNBKAWATELL-UHFFFAOYSA-N	157.116	2.668	50	50	AFGA	
C=Cc1ccc(C(=O)CCl)cc1	114885030	KTSFQWCBVAFAED-UHFFFAOYSA-N	180.634	2.751	50	50	AFGA	
O=C(Cl)c1ccc2cc[nH]c2c1F	263623882	LNVDNUFEIJCUQZ-UHFFFAOYSA-N	197.596	2.686	50	50	AFGA	
O=C(CCl)C[C@@H]1CCCC12CC2	1857786665	RETPPNQNJPYJRL-QMMMGPOBSA-N	186.682	2.765	50	50	AFGA	
O=C(Cl)[C@@H]1C[C@H]1c1ccccc1	2169989	SODZBMGDYKEZJG-DTWKUNHWSA-N	180.634	2.556	50	50	AFGA	in-vitro
CC(C)(C)c1ccc(N=C=O)cc1	164821	WUWBDQJTQTVBSQ-UHFFFAOYSA-N	175.231	2.951	50	50	AFGA	in-vitro
CCCCCCN=C=S	2146665	WXYAXKKXIGHXDS-UHFFFAOYSA-N	143.255	2.670	50	50	AFGA	endogenous,in-man
CC(C)c1cc(CCl)no1	12398232	UGAJDIZLJMKLBN-UHFFFAOYSA-N	159.616	2.537	50	50	AFGA	in-vitro
C=CCP(=O)(Cl)Cl	95719222	LTHAMOYJECKDMD-UHFFFAOYSA-N	158.952	2.843	50	50	AFGA	
Cc1c(N)ccc(SC#N)c1Cl	30714662	JRZHLVJULLQAMV-UHFFFAOYSA-N	198.678	2.804	50	50	AFGA	in-vitro
Cc1cccc(NC(=O)[C@H](C)Cl)c1	3887295	VOVIUZVPOZODGY-QMMMGPOBSA-N	197.665	2.561	50	50	AFGA	in-vitro
CC(=O)c1cccc(N=C=S)c1	2168492	RGANVWCPAAIVNN-UHFFFAOYSA-N	177.228	2.624	50	50	AFGA	biogenic,in-vitro
O=C(Cl)c1ccc2cccnc2c1	145523176	LKFPKMTWLJPNOP-UHFFFAOYSA-N	191.617	2.614	50	50	AFGA	
Cc1cc(C(=O)Cl)cc(F)c1F	202576149	PSOIZAXYOFXTJQ-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
Cc1ccc(C(=O)Cl)c(C)c1	2569622	JUOGRBULLOEKKQ-UHFFFAOYSA-N	168.623	2.682	50	50	AFGA	in-vitro
N#Cc1cc(Cl)ccc1N=C=S	15443801	XJVKXLHNCRNMAV-UHFFFAOYSA-N	194.646	2.946	50	50	AFGA	
CCCCCCCCN=C=O	2560449	DYQFCTCUULUMTQ-UHFFFAOYSA-N	155.241	2.683	50	50	AFGA	in-vitro
BrCC1CCCCC1	2242653	UUWSLBWDFJMSFP-UHFFFAOYSA-N	177.085	2.962	50	50	AFGA	in-vitro
CN(C)C[C@H](Cl)c1ccccc1	3624154	BHDHMUNVUMGSIY-JTQLQIEISA-N	183.682	2.528	50	50	AFGA	
C=CCSSCC=C	1531082	PFRGXCVKLLPLIP-UHFFFAOYSA-N	146.280	2.740	50	50	AFGA	endogenous,in-man
Cc1ccccc1O[C@H](C)C(=O)Cl	33432940	OGULJDOZDDVXLP-MRVPVSSYSA-N	198.649	2.528	50	50	AFGA	
BrCCc1ccccc1	1665971	WMPPDTMATNBGJN-UHFFFAOYSA-N	185.064	2.624	50	50	AFGA	in-vitro
C[C@@H](N=C=O)c1ccc(Cl)cc1	2548050	MDGZWQDRYKKTOB-SSDOTTSWSA-N	181.622	2.737	50	50	AFGA	in-vitro
Cc1cc(C)cc(C(=O)Cl)c1	2581527	ZJIOBDJEKDUUCI-UHFFFAOYSA-N	168.623	2.682	50	50	AFGA	in-vitro
O=C(CCCCl)c1cccs1	2563999	NPFQPHILVMHTKP-UHFFFAOYSA-N	188.679	2.950	50	50	AFGA	
CC(C)(C)CCBr	2528263	ROKZAMCDHKVZIQ-UHFFFAOYSA-N	165.074	2.818	50	50	AFGA	in-vitro
N#CC1=C[C@H]2C[C@H]1c1ccc(C#N)cc12	100941047	ASLVPUSXPCDIAT-TVQRCGJNSA-N	192.221	2.593	50	50	AFGA	
S=C=NCCCc1ccccc1	1841131	GRUOGLPIAPZLHJ-UHFFFAOYSA-N	177.272	2.722	50	50	AFGA	endogenous,in-man
CCCCCBr	1586300	YZWKKMVJZFACSU-UHFFFAOYSA-N	151.047	2.572	50	50	AFGA	in-vitro
Cc1ccc([N+](=O)[O-])c(CCl)c1	2567960	BWPZDLVOJNBEKI-UHFFFAOYSA-N	185.610	2.642	50	50	AFGA	
O=C(N=C=S)c1ccc(Cl)cc1	1652070	OTZBZZNWOAIAEN-UHFFFAOYSA-N	197.646	2.583	50	50	AFGA	in-vitro
CC1(C)[C@H]2CC[C@@]1(C)[C@H](N=C=O)C2	101093439	FBAAWFXZNSCIGK-NGZCFLSTSA-N	179.263	2.537	50	50	AFGA	
[C-]#[N+]c1cccc(CBr)n1	261507195	GJTPBNBLSCHBAQ-UHFFFAOYSA-N	197.035	2.527	50	50	AFGA	
Cc1ccc(/C=C\C#N)cc1	4786774	WHECQDVQLPVCRX-IHWYPQMZSA-N	143.189	2.532	50	50	AFGA	
Cc1cc(C(=O)Cl)ccc1F	2382075	FMFLKTDRPXYUGP-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	in-vitro
CCc1c(C(=O)Cl)csc1C	40451411	JKGFZBLTURETDI-UHFFFAOYSA-N	188.679	2.998	50	50	AFGA	
O=C(Cl)[C@]12C[C@@H]3C[C@H]1C[C@@H](C3)C2	101166073	FEJBSNLESASJKD-WZXRXUJPSA-N	184.666	2.578	50	50	AFGA	
Cc1ccc(F)c(N=C=S)c1	2559520	ZRTIOORZVIMCBW-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	in-vitro
C[Si](C)(C)CCOC(=O)Cl	170011899	BTEQQLFQAPLTLI-UHFFFAOYSA-N	180.707	2.700	50	50	AFGA	in-vitro
Cc1cc(F)ccc1C(=O)Cl	2527804	KZUXJRQQHJREGH-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	in-vitro
Cc1ccc2oc(CCl)nc2c1	3883641	HLMSMIKJAZQYJS-UHFFFAOYSA-N	181.622	2.875	50	50	AFGA	in-vitro
O=C(F)c1ccccc1C(F)(F)F	1847591	MPSOUKZPIUZZDZ-UHFFFAOYSA-N	192.111	2.815	50	50	AFGA	
O=C1[C@@H](Cl)CCCCC[C@H]1Cl	100006221	COOPJLNDURVHCV-KNVOCYPGSA-N	195.089	2.734	50	50	AFGA	in-vitro
FC1(F)CCCC[C@@H]1Cl	66324273	NBLOIUSLEWOOKM-YFKPBYRVSA-N	154.587	2.803	50	50	AFGA	
Cc1cccc(F)c1N=C=S	135240200	SJEGYOQWTICQQU-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	
C/C(=C\c1ccccc1)C(=O)Cl	4692562	XHIRBFXXIZZLNG-BQYQJAHWSA-N	180.634	2.855	50	50	AFGA	
N#C/C=C(\Cl)c1ccccc1	159947	GVKYEBRJHLHHOE-TWGQIWQCSA-N	163.607	2.790	50	50	AFGA	
CCc1cccc(CC)c1N=C=O	2566255	AUSRFKVPUCQCCN-UHFFFAOYSA-N	175.231	2.779	50	50	AFGA	
C[Si](C)(C)Oc1ccccc1	169743367	OJAJJFGMKAZGRZ-UHFFFAOYSA-N	166.296	2.900	50	50	AFGA	
Cl[C@@H]1CCCC[C@H]1Cl	1627222	GZEZIBFVJYNETN-PHDIDXHHSA-N	153.052	2.775	50	50	AFGA	
O=C=Nc1ccc2sccc2c1	3880868	GWLZJAWTWVSHCU-UHFFFAOYSA-N	175.212	2.869	50	50	AFGA	in-vitro
Cc1ccc2nc(CCl)[nH]c2c1C	19089303	HDTZCVJNZSQFOH-UHFFFAOYSA-N	194.665	2.919	50	50	AFGA	in-vitro
C=CCCCCBr	1841094	RIMXEJYJXDBLIE-UHFFFAOYSA-N	163.058	2.738	50	50	AFGA	in-vitro
C[C@H](Cl)C(=O)c1ccc(F)cc1	2169681	AGQLOTJUTCKLOE-LURJTMIESA-N	186.613	2.636	50	50	AFGA	in-vitro
CSc1cc(C)cnc1CCl	95836379	HHNQHLDXXYZJPO-UHFFFAOYSA-N	187.695	2.851	50	50	AFGA	
Cc1c(F)ccc(F)c1C(=O)Cl	263623619	JASGECWLNZUZMB-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
ClCCC1CCCC1	57385889	JQXYEQHHLIYKAT-UHFFFAOYSA-N	132.634	2.806	50	50	AFGA	in-vitro
BrCC1CCSCC1	66322917	XQWJWYPCHQDWCG-UHFFFAOYSA-N	195.125	2.525	50	50	AFGA	in-vitro
Cl[C@H]1CC[C@H](Cl)CC1	242701906	WQTINZDWAXJLGH-IZLXSQMJSA-N	153.052	2.775	50	50	AFGA	in-vitro
CCCC[C@@H](C)N=C=S	1576853	GCZWLZBNDSJSQF-SSDOTTSWSA-N	143.255	2.668	50	50	AFGA	
O=C=Nc1cc(Cl)ccc1Cl	1693392	PEQMJVGRHNZPAM-UHFFFAOYSA-N	188.013	2.961	50	50	AFGA	
CC(C)(Oc1ccccc1)C(=O)Cl	33432946	WWIJGHHDQFJHQW-UHFFFAOYSA-N	198.649	2.609	50	50	AFGA	in-vitro
Cc1cccc(CBr)c1	1690021	FWLWTILKTABGKQ-UHFFFAOYSA-N	185.064	2.890	50	50	AFGA	
N#C[C@@H](Br)c1ccccc1	5934150	XUHFBOUSHUEAQZ-MRVPVSSYSA-N	196.047	2.646	50	50	AFGA	in-vitro
C[C@H](Cl)c1nc2ccccc2[nH]1	484733	FJBWNZYXAJCPKV-LURJTMIESA-N	180.638	2.863	50	50	AFGA	in-vitro
CCc1cccc(C)c1N=C=O	164843	YMAVXDRFOILNKI-UHFFFAOYSA-N	161.204	2.525	50	50	AFGA	
CCP(Cl)CC	95713740	INJBDKCHQWVDGT-UHFFFAOYSA-N	124.551	2.662	50	50	AFGA	
O=C1[C@H](Cl)CCCCC[C@H]1Cl	100006224	COOPJLNDURVHCV-RNFRBKRXSA-N	195.089	2.734	50	50	AFGA	in-vitro
CC1CCC(Br)CC1	1699958	RLOHLPHAOHGRNM-UHFFFAOYSA-N	177.085	2.960	50	50	AFGA	
O=[N+]([O-])c1ccc(SCl)cc1	100374328	NCBOVAWEMBIIFK-UHFFFAOYSA-N	189.623	2.841	50	50	AFGA	
N#C/C=C(\Cl)c1ccc(F)cc1	159972	QYJZLGBSSYBYSY-UITAMQMPSA-N	181.597	2.929	50	50	AFGA	in-vitro
COc1ccc(C)cc1CCl	4206505	FTWAMZVALPAXGP-UHFFFAOYSA-N	170.639	2.742	50	50	AFGA	in-vitro
Br[C@@H]1Cc2ccccc21	54967598	AYNXHFRDABNHRX-MRVPVSSYSA-N	183.048	2.679	50	50	AFGA	in-vitro
Cc1cc(C(=O)Cl)c(F)cc1F	60084043	RIEVVBXIGDZISL-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
FC(F)(F)[C@@H](Cl)Br	8214397	BCQZXOMGPXTTIC-PVQJCKRUSA-N	197.381	2.509	50	50	AFGA	world
Cc1ccc(NC=C(C#N)C#N)c(C)c1	4541704	PNSLDLXGUXODRG-UHFFFAOYSA-N	197.241	2.646	50	50	AFGA	
ClCc1csc(Cl)n1	15444540	HKVYINROOPCUIP-UHFFFAOYSA-N	168.048	2.535	50	50	AFGA	in-vitro
CCC[C@H](C)Br	1586301	LGAJYTCRJPCZRJ-YFKPBYRVSA-N	151.047	2.570	50	50	AFGA	in-vitro
CCOP(Cl)OCC	78212037	TXHWYSOQHNMOOU-UHFFFAOYSA-N	156.549	2.525	50	50	AFGA	in-vitro
CCCC[Si](C)(C)OC	195754828	VNVRPYPOLKSSCA-UHFFFAOYSA-N	146.306	2.638	50	50	AFGA	
Cc1ccc(/C=C/C(=O)Cl)cc1	26470385	ARGVABDJPRRAQI-VOTSOKGWSA-N	180.634	2.774	50	50	AFGA	in-vitro
N#CSC/C=C/c1ccccc1	1606322	QPISXGBJSKHGGC-QPJJXVBHSA-N	175.256	2.914	50	50	AFGA	
Br[C@H]1C[C@@H]2CC[C@H]1C2	49952231	QXYOAWHKJRWNID-VQVTYTSYSA-N	175.069	2.570	50	50	AFGA	
ClCc1cccc(CCl)n1	1765603	IWQNFYRJSVJWQA-UHFFFAOYSA-N	176.046	2.559	50	50	AFGA	in-vitro
O=C(CCl)c1cccc(Cl)c1	6092357	AVUVSYIYUADCKE-UHFFFAOYSA-N	189.041	2.762	50	50	AFGA	
CC(C)[C@](C)(C#N)O[Si](C)(C)C	169925853	SFFRRJOBHYONKP-VIFPVBQESA-N	185.343	2.776	50	50	AFGA	
CC(C)NC[C@@H](Cl)c1ccccc1	71773341	IYQQOTVRGZODFO-LLVKDONJSA-N	197.709	2.965	50	50	AFGA	
[C-]#[N+]Cc1ccc(OCC)cc1	98047004	WNVXJORABNEPFW-UHFFFAOYSA-N	161.204	2.505	50	50	AFGA	in-vitro
OCCCCCCCCCl	1686987	YDFAJMDFCCJZSI-UHFFFAOYSA-N	164.676	2.558	50	50	AFGA	in-vitro
CCc1cccc(NCOCCl)c1	5569393	DJYZNNYSBJKDFP-UHFFFAOYSA-N	199.681	2.831	50	50	AFGA	
Cc1cccc(Cl)c1N=C=O	1700393	FBTQQNYGMICJQZ-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	
Cc1cccc(O[C@@H](C)C(=O)Cl)c1	33432943	ZZOAGCQCHPHGCF-QMMMGPOBSA-N	198.649	2.528	50	50	AFGA	
O=P(Cl)(Cl)c1ccccc1	95736237	IBDMRHDXAQZJAP-UHFFFAOYSA-N	194.985	2.983	50	50	AFGA	
CCc1c(C)cnc(CCl)c1C	82048522	BUXUWSFYIUPMMS-UHFFFAOYSA-N	183.682	3.000	50	50	AFGA	
Cc1cc(F)cc(F)c1C(=O)Cl	263624660	SLHIQAXLYRHSBO-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
O=CC1=C(Cl)c2ccccc2CC1	3883479	GBRFPPIJEHQBGK-UHFFFAOYSA-N	192.645	2.782	50	50	AFGA	in-vitro
CCCc1ccccc1N=C=O	2568111	NSGTVMQTRFUUSL-UHFFFAOYSA-N	161.204	2.606	50	50	AFGA	in-vitro
F[C@H](Cl)C(F)(F)Br	63148620	KFTODZKBBUMDQB-SFOWXEAESA-N	197.381	2.509	50	50	AFGA	
Cc1scc(C(=O)Cl)c1C	40451410	BABKQMLNHKKSHQ-UHFFFAOYSA-N	174.652	2.744	50	50	AFGA	
N#C/C=C/c1ccc(Cl)cc1	1624967	PPCNBCKABHGVMX-OWOJBTEDSA-N	163.607	2.877	50	50	AFGA	in-vitro
ClCCCCCCl	1693335	LBKDGROORAKTLC-UHFFFAOYSA-N	141.041	2.634	50	50	AFGA	
CCCC[C@H](C)Cl	2013438	GLCIPJOIEVLTPR-LURJTMIESA-N	120.623	2.804	50	50	AFGA	
CCCC[C@@H](CC)CN=C=O	39254644	BHDCTKUOBUNTTP-SECBINFHSA-N	155.241	2.539	50	50	AFGA	
FC(F)=C(F)CCBr	2015847	GQCQMFYIFUDARF-UHFFFAOYSA-N	188.974	2.849	50	50	AFGA	
CCP(=O)(Cl)Cl	72399826	OWGJXSYVHQEVHS-UHFFFAOYSA-N	146.941	2.677	50	50	AFGA	in-vitro
O=C(Cl)c1cccc(Cl)c1	3860261	WHIHIKVIWVIIER-UHFFFAOYSA-N	175.014	2.719	50	50	AFGA	
O=C(Cl)CCC1CCCC1	2015939	SZQVEGOXJYTLLB-UHFFFAOYSA-N	160.644	2.722	50	50	AFGA	in-vitro
CCOC(=O)[C@@H](Cl)c1ccccc1	2048278	XXRLJXZVZZXDPP-VIFPVBQESA-N	198.649	2.530	50	50	AFGA	
O=C(CCl)[C@H]1CC12CCCCC2	1857781291	FYOUFYRZBIFJRK-MRVPVSSYSA-N	186.682	2.765	50	50	AFGA	
CCCCCCCl	2013436	MLRVZFYXUZQSRU-UHFFFAOYSA-N	120.623	2.806	50	50	AFGA	in-vitro
C[C@H](CCl)C(=O)c1ccccc1	2141664	VAMAAKQTBVOJPR-MRVPVSSYSA-N	182.650	2.744	50	50	AFGA	
F[C@@H](Cl)[C@@H](Cl)C(F)(F)F	95671280	IRCLJRMKYIULFK-JCYAYHJZSA-N	184.947	2.691	50	50	AFGA	
CCCCCC/C=C\C=O	70450810	BSAIUMLZVGUGKX-FPLPWBNLSA-N	140.226	2.712	50	50	AFGA	endogenous,in-man
C[C@@H]1CCCC[C@H]1C(=O)Cl	4268754	KGMWXVAUXAJKIV-RNFRBKRXSA-N	160.644	2.578	50	50	AFGA	
CCN(CC)S(F)(F)F	100004928	CSJLBAMHHLJAAS-UHFFFAOYSA-N	161.192	2.701	50	50	AFGA	in-vitro
ClCc1cc2ccccc2cn1	39321580	RWMIUVLOQIOJGB-UHFFFAOYSA-N	177.634	2.974	50	50	AFGA	
FC1(F)CCC(Br)CC1	72265611	SPBBBQOVOAUKEG-UHFFFAOYSA-N	199.038	2.959	50	50	AFGA	in-vitro
O=C=Nc1cccc(Cl)c1Cl	164805	FYWJWWMKCARWQG-UHFFFAOYSA-N	188.013	2.961	50	50	AFGA	in-vitro
CN(C)C[C@@H](Cl)c1ccccc1	3624155	BHDHMUNVUMGSIY-SNVBAGLBSA-N	183.682	2.528	50	50	AFGA	
Cc1ccccc1CCl	2034794	VQRBXYBBGHOGFT-UHFFFAOYSA-N	140.613	2.734	50	50	AFGA	
C[Si](C)(C)O[Si](C)(C)CCl	169747818	OBSWSTDGLWZVEI-UHFFFAOYSA-N	196.826	2.821	50	50	AFGA	
C[Si](C)(C)OCc1ccc(N)cc1	195852697	UMGGPDOEWATZPM-UHFFFAOYSA-N	195.338	2.620	50	50	AFGA	in-vitro
Fc1ccc(CCl)c(F)c1F	2585561	RLWBYURQFNYMIW-UHFFFAOYSA-N	180.556	2.843	50	50	AFGA	in-vitro
BrCCC1CCCC1	58641123	GYZRFKCNMIPTEI-UHFFFAOYSA-N	177.085	2.962	50	50	AFGA	in-vitro
BrCC1=CCCCC1	79006977	PDKVWCYJNKLAGE-UHFFFAOYSA-N	175.069	2.882	50	50	AFGA	in-vitro
[C-]#[N+]C1CCCCCC1	95698231	BMPCFAVGGPXHFI-UHFFFAOYSA-N	123.199	2.628	50	50	AFGA	in-vitro
COCCCCCCBr	39375563	MRCKDGXKYBOAHJ-UHFFFAOYSA-N	195.100	2.588	50	50	AFGA	in-vitro
CC(C)OC(=O)CCCCCCl	1736720	MBBMZGJDDXCJMA-UHFFFAOYSA-N	192.686	2.737	50	50	AFGA	in-vitro
CCOc1ccc(C=O)cc1CCl	12412012	FIQJTATVRLHEAW-UHFFFAOYSA-N	198.649	2.637	50	50	AFGA	
CC(C)[C@H](Cl)OC(=O)Cl	4262407	BOGLZTPABVHWDD-SCSAIBSYSA-N	171.023	2.583	50	50	AFGA	in-vitro
FC(F)(F)c1ccnc(CCl)c1	72003368	KAGAMWQQBRRVBH-UHFFFAOYSA-N	195.571	2.839	50	50	AFGA	in-vitro
Cc1ccc(N=C=O)c(Cl)c1	2509908	QVCZOTVTRWNPAF-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	in-vitro
CCc1ccc(N=C=S)cc1	2168495	XXLWCGRHJFEMQH-UHFFFAOYSA-N	163.245	2.983	50	50	AFGA	in-vitro
CC1(C)COP(Cl)OC1	100085934	RAOZVFGTRXLBTA-UHFFFAOYSA-N	168.560	2.525	50	50	AFGA	
O=C(Cl)/C=C/c1cccs1	2379211	KKPKHEMQDJRRIE-ONEGZZNKSA-N	172.636	2.527	50	50	AFGA	
ClCc1cccc2cccnc12	39426343	BKDZLPUEWDNSGH-UHFFFAOYSA-N	177.634	2.974	50	50	AFGA	
CC(C)[C@@H](Cl)OC(=O)Cl	2539482	BOGLZTPABVHWDD-BYPYZUCNSA-N	171.023	2.583	50	50	AFGA	in-vitro
CC[C@H](C)SSc1ncc[nH]1	13209429	BPBPYQWMFCTCNG-LURJTMIESA-N	188.321	2.949	50	50	AFGA	investigational
O=C(Cl)c1ccccc1Cl	1609560	ONIKNECPXCLUHT-UHFFFAOYSA-N	175.014	2.719	50	50	AFGA	in-vitro
O=C(Cl)CCCc1ccccc1	2569626	VQDQISMDUHBUFF-UHFFFAOYSA-N	182.650	2.775	50	50	AFGA	in-vitro
O=C(CCCl)c1ccccc1F	43210693	WCNSDVGUYXGZDE-UHFFFAOYSA-N	186.613	2.637	50	50	AFGA	
CC1(C)[C@@H]2CC[C@@]1(CCl)C(=O)C2	73641049	PKTBHNPYHOMBAI-GMSGAONNSA-N	186.682	2.621	50	50	AFGA	in-vitro
O=C(Cl)c1nc2ccccc2s1	2509359	AOIGQLLPWDXVGB-UHFFFAOYSA-N	197.646	2.675	50	50	AFGA	in-vitro
O=P1(Cl)Oc2ccccc2O1	100050362	KMWSGKPLIWNTEF-UHFFFAOYSA-N	190.522	2.805	50	50	AFGA	
O=C(Cl)OC(Cl)(Cl)Cl	4261978	HCUYBXPSSCRKRF-UHFFFAOYSA-N	197.832	2.690	50	50	AFGA	
O=C=Nc1ccc2ccccc2c1	1686998	XIXJQNFTNSQTBT-UHFFFAOYSA-N	169.183	2.807	50	50	AFGA	
Cc1cc(F)ccc1N=C=S	162092	WFIPMZZOAIIOOG-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	in-vitro
C[C@H]1CCCC/C1=C/C#N	43559051	CKXFDXISILXMDA-HWPCKVLBSA-N	135.210	2.646	50	50	AFGA	
N#C/C=C/c1ccc(Cl)nc1Cl	1772572550	PVNMPRVANMQGOY-OWOJBTEDSA-N	199.040	2.925	50	50	AFGA	
Cc1c(Cl)cccc1N=C=O	164822	NGQMCUWZGVMILT-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	in-vitro
C[C@@H](Br)c1ccccn1	20551449	NXZNOPMZKPTBHC-ZCFIWIBFSA-N	186.052	2.538	50	50	AFGA	
Fc1ccc(CCCCl)cc1	49651063	MMGVMGXKGNKRAU-UHFFFAOYSA-N	172.630	2.997	50	50	AFGA	in-vitro
Cc1cccc(OCCSC#N)c1	71773377	QLWUUDDCKJAXGC-UHFFFAOYSA-N	193.271	2.588	50	50	AFGA	
BrCCCCC1CC1	116928811	MNOCGYQGBQULQR-UHFFFAOYSA-N	177.085	2.962	50	50	AFGA	
O=[N+]([O-])c1ccc(C(Cl)Cl)o1	1233098	GRGKIYSTQUOXBB-UHFFFAOYSA-N	195.989	2.664	50	50	AFGA	
C[C@H](C(=O)Cl)c1ccccc1	2574158	FOTITZRWZUAVPH-ZETCQYMHSA-N	168.623	2.556	50	50	AFGA	in-vitro
Fc1ccc(F)c(N=C=S)c1	2390071	QVIDXDRFMDPVLA-UHFFFAOYSA-N	171.171	2.699	50	50	AFGA	in-vitro
C/C(C#N)=C/c1ccc(F)cc1	394694	NVBXEZSKVAJCNL-VURMDHGXSA-N	161.179	2.753	50	50	AFGA	
CC(C)/C=C(\C=O)c1ccccc1	12953139	ULRYRAHIBWLZKC-XYOKQWHBSA-N	174.243	2.925	50	50	AFGA	endogenous,in-man
CCc1ccccc1N=C=S	164774	OVAFDUCMHLFDIG-UHFFFAOYSA-N	163.245	2.983	50	50	AFGA	in-vitro
CCc1ccc(C(=O)CCl)cc1	3885299	MLDROUSGWZPVMD-UHFFFAOYSA-N	182.650	2.671	50	50	AFGA	in-vitro
Cc1cccc(O[C@H](C)C(=O)Cl)c1	33432942	ZZOAGCQCHPHGCF-MRVPVSSYSA-N	198.649	2.528	50	50	AFGA	
N#CC1=C[C@H]2C[C@H]1c1ccccc12	100941125	PPJKYKZPSUOZFT-QPUJVOFHSA-N	167.211	2.721	50	50	AFGA	
C[Si](C)(C)Oc1ccccc1C=O	169746994	GMQJTDJLZSIFQG-UHFFFAOYSA-N	194.306	2.713	50	50	AFGA	
Cc1ccc(N=C=S)cc1F	1870190	HWQXMSAUWJPXGJ-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	in-vitro
CCCCc1ccc(N=C=O)cc1	2170350	LJJRXPXDTAUVQU-UHFFFAOYSA-N	175.231	2.997	50	50	AFGA	in-vitro
Cc1ccc(N=C=O)cc1Cl	159655	UKTKKMZDESVUEE-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	in-vitro
O=C=Nc1ccc(Cl)cc1Cl	164882	OLBJNSPBWLCTOT-UHFFFAOYSA-N	188.013	2.961	50	50	AFGA	in-vitro
[N-]=[N+]=Nc1ccc(/C=C/C=O)cc1	34140257	MFGPIUGUWLAIGM-OWOJBTEDSA-N	173.175	2.841	50	50	AFGA	in-vitro
CCCCOC(Cl)Cl	2556820	GVVHBNABFJZWIC-UHFFFAOYSA-N	157.040	2.564	50	50	AFGA	in-vitro
CCOc1ccc(N=C=S)cc1	164741	REEKOMRZYJXXNR-UHFFFAOYSA-N	179.244	2.820	50	50	AFGA	in-vitro
O=C1[C@@H](Cl)CCCCC[C@@H]1Cl	100006226	COOPJLNDURVHCV-BQBZGAKWSA-N	195.089	2.734	50	50	AFGA	in-vitro
CCCCCCCC[C@H](O)C#N	101365676	PEZRXEBWVUSWAE-JTQLQIEISA-N	169.268	2.621	50	50	AFGA	
C[Si](C)(C)Oc1cccc(C#N)c1	169819617	GPVGZNKRBRSUAZ-UHFFFAOYSA-N	191.306	2.772	50	50	AFGA	
CC(C)OP(=O)(F)OC(C)C	8214587	MUCZHBLJLSDCSD-UHFFFAOYSA-N	184.147	2.914	50	50	AFGA	world
O=C(Cl)C(F)(F)c1ccccc1	107275126	WHESXQIOHUXMOJ-UHFFFAOYSA-N	190.576	2.544	50	50	AFGA	in-vitro
CCCC[C@@H](CC)C(=O)Cl	2022081	WFSGQBNCVASPMW-SSDOTTSWSA-N	162.660	2.968	50	50	AFGA	
CC(C)(C)c1cnc(CCl)o1	20282451	LUGZUJZYTRPEDY-UHFFFAOYSA-N	173.643	2.711	50	50	AFGA	in-vitro
C[C@@H](CN=C=S)c1ccccc1	71791900	FGESWFIKOLPCKC-VIFPVBQESA-N	177.272	2.893	50	50	AFGA	
O=C(Cl)c1cccc(Cl)c1F	2382234	VBYJOUAMJITBNL-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
ClCOC1CCCCC1	44069498	GYCLGFVWNVHUPA-UHFFFAOYSA-N	148.633	2.532	50	50	AFGA	in-vitro
C#CCCCCCCBr	136457158	XUGGUUBNZPZPHM-UHFFFAOYSA-N	189.096	2.965	50	50	AFGA	
Cc1cc(Cl)cc(N=C=O)c1	84888928	QUNFCCQHRHTDDB-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	
[C-]#[N+]C12CC3CC(CC(C3)C1)C2	55850300	RPRJRJNIFAYHRF-UHFFFAOYSA-N	161.248	2.874	50	50	AFGA	in-vitro
CCC[C@@H](C)Br	2041098	LGAJYTCRJPCZRJ-RXMQYKEDSA-N	151.047	2.570	50	50	AFGA	in-vitro
[C-]#[N+]CCc1c[nH]c2ccccc12	95686696	KKQMZQJNSZGLBO-UHFFFAOYSA-N	170.215	2.630	50	50	AFGA	in-vitro
O=C(CCl)c1cccc2cc[nH]c12	95100095	XECUBKDUDDTVMX-UHFFFAOYSA-N	193.633	2.589	50	50	AFGA	
CCC(CC)COC(=O)Cl	167432717	VUUZCSIOWVZJQB-UHFFFAOYSA-N	164.632	2.798	50	50	AFGA	in-vitro
CCC(CC)CBr	2242580	KKGUMGWNFARLSL-UHFFFAOYSA-N	165.074	2.818	50	50	AFGA	
CCC[C@@H](C)CCl	55345630	SLBTUZZYJLBZQV-ZCFIWIBFSA-N	120.623	2.661	50	50	AFGA	
COc1ccc(/C(Cl)=C/C#N)cc1	159979	PRZFNAAMKVRGRG-POHAHGRESA-N	193.633	2.798	50	50	AFGA	
[C-]#[N+]Cc1ccc(Cl)cc1	95698304	UNRNSTIWJVLLMX-UHFFFAOYSA-N	151.596	2.759	50	50	AFGA	
CC1(C)[C@H]2CC[C@]1(CCl)C(=O)C2	166359152	PKTBHNPYHOMBAI-XVKPBYJWSA-N	186.682	2.621	50	50	AFGA	
ClCc1ccnc2ccccc12	39213205	OLSKQWRLRYMCAO-UHFFFAOYSA-N	177.634	2.974	50	50	AFGA	in-vitro
Fc1ccc(OC(=S)Cl)cc1	389825	HZBXSUFBKXPOAF-UHFFFAOYSA-N	190.626	2.728	50	50	AFGA	in-vitro
Cc1ccc(C(=O)CCl)c(C)c1	1577036	SJMUGKXTDUSEOC-UHFFFAOYSA-N	182.650	2.725	50	50	AFGA	
C[C@H](Cl)COc1ccccc1	35570347	LTRAIWUUCBYXHZ-QMMMGPOBSA-N	170.639	2.693	50	50	AFGA	in-vitro
Cc1cc(O)cc(C)c1SC#N	1661513	QRELYANLFSVTPU-UHFFFAOYSA-N	179.244	2.582	50	50	AFGA	
CC(C)(C)S[S@](=O)C(C)(C)C	1712076	ZFKIFCIQBZYNIQ-LLVKDONJSA-N	194.365	2.980	50	50	AFGA	in-vitro
CC(=O)c1cccc(CCl)c1	16697503	COWCOTXRROPSNR-UHFFFAOYSA-N	168.623	2.628	50	50	AFGA	in-vitro
O=C(Cl)c1ccc2occc2c1	2509360	HVLITELPDNDMFO-UHFFFAOYSA-N	180.590	2.812	50	50	AFGA	
Cc1cc(F)c(F)c(C(=O)Cl)c1	263625322	YSNULGOFJIEPAN-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
CC(C)(C)[C@@H](C#N)O[Si](C)(C)C	169925882	TYIFFJGNUDQZQG-MRVPVSSYSA-N	185.343	2.776	50	50	AFGA	in-vitro
Cc1ccc(C(=O)Cl)cc1C	2168859	RGAKSNQOIIYQRM-UHFFFAOYSA-N	168.623	2.682	50	50	AFGA	in-vitro
S=C=NCCC1CCCC1	19090030	YHIOIHCWPRVEPE-UHFFFAOYSA-N	155.266	2.670	50	50	AFGA	in-vitro
O=C(Cl)C1CCC(F)(F)CC1	39056589	PJWULPCWPCVQKD-UHFFFAOYSA-N	182.597	2.577	50	50	AFGA	in-vitro
Cc1ccc(NC(=O)[C@@H](C)Cl)cc1	3269755	FTKDWGYLOVAMPG-MRVPVSSYSA-N	197.665	2.561	50	50	AFGA	in-vitro
CC(C)(C)S[S@@](=O)C(C)(C)C	4621016	ZFKIFCIQBZYNIQ-NSHDSACASA-N	194.365	2.980	50	50	AFGA	
FC(F)(F)CCCBr	2539603	DBCAQXHNJOFNGC-UHFFFAOYSA-N	190.990	2.724	50	50	AFGA	in-vitro
Fc1cc(F)c(N=C=S)cc1F	2506742	LVUMWUTYBBSJEO-UHFFFAOYSA-N	189.161	2.838	50	50	AFGA	
ClCc1nc2ccccc2o1	2548829	ANRDUCQCZKLSGF-UHFFFAOYSA-N	167.595	2.567	50	50	AFGA	in-vitro
C[Si](C)(C)OC1(C#N)CCCC1	169975340	WJTZXPFJXASXAH-UHFFFAOYSA-N	183.327	2.674	50	50	AFGA	
Cc1ccc(CBr)cc1	1586374	WZRKSPFYXUXINF-UHFFFAOYSA-N	185.064	2.890	50	50	AFGA	
O=C=Nc1c(Cl)cccc1Cl	159114	HMVKMAMIRAVXAN-UHFFFAOYSA-N	188.013	2.961	50	50	AFGA	in-vitro
CC1(C)CCC(C=O)=C(Cl)C1	116885047	BSXRPCFOXBDGBC-UHFFFAOYSA-N	172.655	2.888	50	50	AFGA	
C=C(C)CCCC(C)=CC=O	2049251966	DCFAKOWBMYCWIZ-UHFFFAOYSA-N	152.237	2.878	50	50	AFGA	biogenic
Cc1ccc(NC(=O)CCCl)cc1	1730616	NPUKNSNXTYIEOE-UHFFFAOYSA-N	197.665	2.562	50	50	AFGA	
ClCc1nc(Cl)cc(Cl)n1	40448322	OGXCXLWVUKSJGE-UHFFFAOYSA-N	197.452	2.522	50	50	AFGA	in-vitro
C[Si](C)(C)OC1=CCCC1	169876116	UBMYYGXGMPGCBO-UHFFFAOYSA-N	156.301	2.906	50	50	AFGA	
N#CSC(=O)c1ccc(Cl)cc1	71773919	VTCGJVXRVGSJNQ-UHFFFAOYSA-N	197.646	2.694	50	50	AFGA	
Cc1cccc(CSC#N)c1	1627099	NSGWUGKMTAEVPQ-UHFFFAOYSA-N	163.245	2.709	50	50	AFGA	in-vitro
CC(C)(CC(=O)CCl)C1CC1	238854990	QAJOQTNHZLDRJP-UHFFFAOYSA-N	174.671	2.621	50	50	AFGA	
O=C(Cl)c1ccc(CCl)cc1	1603192	RCOVTJVRTZGSBP-UHFFFAOYSA-N	189.041	2.804	50	50	AFGA	in-vitro
CC(C)CCC[C@H](C)N=C=O	62822264	UNZWJJCMBFKLOT-VIFPVBQESA-N	155.241	2.537	50	50	AFGA	
FC(F)(F)CC(F)(F)CCl	71790200	FXVNTXMAEDEPNT-UHFFFAOYSA-N	182.519	2.813	50	50	AFGA	in-vitro
C[C@@H](Cl)C(=O)c1ccc(F)cc1	2169683	AGQLOTJUTCKLOE-ZCFIWIBFSA-N	186.613	2.636	50	50	AFGA	in-vitro
O=C(CCl)c1ccc(Cl)cc1	1673522	FWDFNLVLIXAOMX-UHFFFAOYSA-N	189.041	2.762	50	50	AFGA	in-vitro
ClSSCl	254756492	PXJJSXABGXMUSU-UHFFFAOYSA-N	135.040	2.675	50	50	AFGA	
CC(C)Oc1ccc(C(=O)Cl)cc1	2168832	USRKDQLKRQMYKX-UHFFFAOYSA-N	198.649	2.853	50	50	AFGA	in-vitro
CC(C)c1ccc(N=C=O)cc1	2170349	PJVRNNRZWASOIT-UHFFFAOYSA-N	161.204	2.777	50	50	AFGA	in-vitro
Cc1ccccc1O[C@@H](C)C(=O)Cl	33432941	OGULJDOZDDVXLP-QMMMGPOBSA-N	198.649	2.528	50	50	AFGA	
Cc1ccccc1CCBr	2529024	PZXWZXNXBNIAHO-UHFFFAOYSA-N	199.091	2.932	50	50	AFGA	
Cc1ccc2nc(CCCl)[nH]c2c1	19089300	DJFLGANITLDWJR-UHFFFAOYSA-N	194.665	2.653	50	50	AFGA	in-vitro
O=Cc1ccc(OCCCCl)cc1	2163896	CKGQJZWAOFNWQT-UHFFFAOYSA-N	198.649	2.507	50	50	AFGA	in-vitro
CCCCCCSC#N	1648383	BESHFZBHEPQOSU-UHFFFAOYSA-N	143.255	2.781	50	50	AFGA	
CCOc1ccccc1C=C(C#N)C#N	164226	HNJPCUHAXSZEBZ-UHFFFAOYSA-N	198.225	2.516	50	50	AFGA	
CC(C#N)=C1CCCCC1	34588059	GBPFDSRWPPLMDV-UHFFFAOYSA-N	135.210	2.791	50	50	AFGA	
C[Si](C)(C)CCOCCl	169743120	BPXKZEMBEZGUAH-UHFFFAOYSA-N	166.724	2.538	50	50	AFGA	in-vitro
CC[C@@H](C)SC(=O)Cl	39475965	QMEKFEIJHUSKSJ-SCSAIBSYSA-N	152.646	2.877	50	50	AFGA	
COC(O[Si](C)(C)C)=C(C)C	169746803	JNOGVQJEBGEKMG-UHFFFAOYSA-N	174.316	2.736	50	50	AFGA	
Cc1c(O)ccc(SC#N)c1C	1693561	MEAPBUJZGUYSGO-UHFFFAOYSA-N	179.244	2.582	50	50	AFGA	
O=C(Cl)OC1CCCCC1	2243070	IWVJLGPDBXCTDA-UHFFFAOYSA-N	162.616	2.695	50	50	AFGA	in-vitro
O=C(Cl)CC1CCCCC1	2574137	VABYVFZVTIDNOA-UHFFFAOYSA-N	160.644	2.722	50	50	AFGA	
CCCCCI	1586306	BLXSFCHWMBESKV-UHFFFAOYSA-N	198.047	2.612	50	50	AFGA	in-vitro
Cc1ccc(CCl)cc1[N+](=O)[O-]	2584603	DLTKEOYTIZIUKD-UHFFFAOYSA-N	185.610	2.642	50	50	AFGA	in-vitro
N#CC1(CCl)CCCCC1	163556	BWQNUOFYAYIAIY-UHFFFAOYSA-N	157.644	2.699	50	50	AFGA	in-vitro
Cc1ccc(C)c(CC(=O)Cl)c1	53144464	PZRANTBLOIKHJY-UHFFFAOYSA-N	182.650	2.611	50	50	AFGA	in-vitro
Cc1cccc(F)c1C(=O)Cl	39056338	MMGLVQRGMPQKLH-UHFFFAOYSA-N	172.586	2.513	50	50	AFGA	in-vitro
CC[C@@H](Br)C(F)(F)F	71791921	GGEHBGVYKIYHOT-GSVOUGTGSA-N	190.990	2.722	50	50	AFGA	
[C-]#[N+][C@@H](C)c1ccccc1	95713448	KCCAPMXVCPVFEH-QMMMGPOBSA-N	131.178	2.667	50	50	AFGA	in-vitro
Cc1cc(N=C=S)ccc1F	2508118	UNHFKKWNCOJAKR-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	
O=C(CCl)C1CCC2(CC1)CC2	575511114	BAZIQWKBSRCUNX-UHFFFAOYSA-N	186.682	2.765	50	50	AFGA	
Cc1cc(SC#N)c(C)cc1O	71773194	BUZNFXSCYITJEF-UHFFFAOYSA-N	179.244	2.582	50	50	AFGA	
FC(F)(F)c1ccc(CCl)nc1	82046566	XOVKMILMYFEUMK-UHFFFAOYSA-N	195.571	2.839	50	50	AFGA	in-vitro
FC(F)(F)CC(Cl)Cl	2040578	PLTIOZOVDUUXDQ-UHFFFAOYSA-N	166.957	2.743	50	50	AFGA	
CCCOc1ccc(C(=O)Cl)cc1	2569855	FKAPQNQLKYYUAE-UHFFFAOYSA-N	198.649	2.854	50	50	AFGA	
CC1=CC[C@@H](Cl)CC1	71782690	ITSBMDIPOXKIQT-SSDOTTSWSA-N	130.618	2.724	50	50	AFGA	
CCCOc1cccc(C(=O)Cl)c1	33432947	JXHHNJORXBXRBY-UHFFFAOYSA-N	198.649	2.854	50	50	AFGA	in-vitro
CC(C)(C)[Si](C)(C)OCCC=O	169874625	WGWCJTNWUFFGFH-UHFFFAOYSA-N	188.343	2.597	50	50	AFGA	in-vitro
COc1ccc(CCl)c(F)c1	14989243	KVOKEUYGMDGQSP-UHFFFAOYSA-N	174.602	2.573	50	50	AFGA	in-vitro
O=C(Cl)C1CCCCCC1	39246356	CIYPNZYEUZQIHN-UHFFFAOYSA-N	160.644	2.722	50	50	AFGA	in-vitro
CC1(C)CC(CBr)C1	71261571	LXYGBCXUPQXFKM-UHFFFAOYSA-N	177.085	2.818	50	50	AFGA	in-vitro
F[C@@H](Cl)[C@H](Cl)C(F)(F)F	95671279	IRCLJRMKYIULFK-NHYDCYSISA-N	184.947	2.691	50	50	AFGA	
CC1(C)CC(Cl)CC(C)(C)N1	162309	XWKOFHVPNLKHOK-UHFFFAOYSA-N	175.703	2.534	50	50	AFGA	
CSCCCCCN=C=S	2558173	HBVIMVJTUQNSEP-UHFFFAOYSA-N	175.322	2.623	50	50	AFGA	endogenous,in-man
O=C(Cl)[C@@H](Cl)c1ccccc1	2140827	FGEAOSXMQZWHIQ-ZETCQYMHSA-N	189.041	2.732	50	50	AFGA	
CC/C=C(/C=O)c1ccccc1	2510135	YPAJRUMMODCONM-WDZFZDKYSA-N	160.216	2.679	50	50	AFGA	in-vitro
Cc1cccc(CCCl)c1	52136539	PTUMKQUZCDYESZ-UHFFFAOYSA-N	154.640	2.776	50	50	AFGA	
Cc1cc(F)c(C(=O)Cl)cc1F	2540269	CFWIAKKMBXJMOJ-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	in-vitro
CCc1ccc(C(=O)Cl)s1	3199653	WMPYANGIDNHXGD-UHFFFAOYSA-N	174.652	2.690	50	50	AFGA	in-vitro
Fc1ccccc1CCCl	49651111	JVLRUIIRRJELIJ-UHFFFAOYSA-N	158.603	2.607	50	50	AFGA	in-vitro
Cc1ccc(N=C=S)cc1	167217	ABQKHKWXTUVKGF-UHFFFAOYSA-N	149.218	2.729	50	50	AFGA	in-vitro
ClCCCCO[C@@H]1CCCCO1	2512326	SZZINZURZKQZLG-SECBINFHSA-N	192.686	2.549	50	50	AFGA	in-vitro
N#CC1=C[C@H]2C[C@H]1c1c(C#N)cccc12	100941103	AUQMKBIJBUGNNK-JOYOIKCWSA-N	192.221	2.593	50	50	AFGA	
C/C(C=O)=C\c1cc(F)cc(F)c1	307093794	DNLJEZZQZREWEO-FARCUNLSSA-N	182.169	2.567	50	50	AFGA	
CC(C)(C)O[Si](C)(C)C	169806484	PGZGBYCKAOEPQZ-UHFFFAOYSA-N	146.306	2.636	50	50	AFGA	
ClCc1cccc(-n2cccn2)c1	19090347	WSUSUSYBXHRKMP-UHFFFAOYSA-N	192.649	2.611	50	50	AFGA	in-vitro
CCC[C@H](C)CCl	2510306	SLBTUZZYJLBZQV-LURJTMIESA-N	120.623	2.661	50	50	AFGA	
ClCc1cc(-c2ccco2)on1	4207284	IPIMDVOPXIOKAK-UHFFFAOYSA-N	183.594	2.673	50	50	AFGA	in-vitro
FC(Cl)(Cl)C(Cl)Cl	95707654	LUBCGHUOCJOIJA-UHFFFAOYSA-N	185.840	2.891	50	50	AFGA	
Cc1cc(C)c(CC(=O)Cl)c(C)c1	64033798	NXCYVLQDRHQRHC-UHFFFAOYSA-N	196.677	2.920	50	50	AFGA	in-vitro
N#CC(C#N)=Cc1ccc(Cl)cc1	164225	FQSXBLOWLYPURG-UHFFFAOYSA-N	188.617	2.771	50	50	AFGA	in-vitro
Cc1ccccc1NC(=O)[C@@H](C)Cl	3379376	YWSVGMSGVIXGPW-MRVPVSSYSA-N	197.665	2.561	50	50	AFGA	
CC[C@@H](Cl)CCC(=O)Cl	96024957	NLMAMSOFICKDPA-RXMQYKEDSA-N	169.051	2.549	50	50	AFGA	in-vitro
CC(=C(C#N)C#N)c1cccs1	170313	IVSVAOOOAGLVJQ-UHFFFAOYSA-N	174.228	2.569	50	50	AFGA	in-vitro
O=C(CCl)c1c[nH]c2ccccc12	546930	LLZQFAXTCYDVTR-UHFFFAOYSA-N	193.633	2.589	50	50	AFGA	in-vitro
CC1(C(=O)OCCl)CCCCC1	196848358	NXIKIWDHPKFJAP-UHFFFAOYSA-N	190.670	2.696	50	50	AFGA	
O=C(F)c1cccc(C(F)(F)F)c1	1609515	LTHOSILCKUBBIS-UHFFFAOYSA-N	192.111	2.815	50	50	AFGA	
Fc1cccc(F)c1CCl	2556783	MJXRENZUAQXZGJ-UHFFFAOYSA-N	162.566	2.704	50	50	AFGA	in-vitro
O=C/C=C/C=C/c1ccc(F)cc1	2585342	RJDFBVBPWYJKEG-ZPUQHVIOSA-N	176.190	2.594	50	50	AFGA	in-vitro
CCP(Cl)Cl	95704430	JHNJGLVSPIMBLD-UHFFFAOYSA-N	130.942	2.796	50	50	AFGA	
CN(CCCCl)Cc1ccccc1	1562168	XOVAMNMHLZQZJL-UHFFFAOYSA-N	197.709	2.747	50	50	AFGA	in-vitro
Cc1ccc(Cl)cc1N=C=O	2566256	XEMUTFNBAICJEO-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	in-vitro
BrC1CCCCC1	1712791	AQNQQHJNRPDOQV-UHFFFAOYSA-N	163.058	2.714	50	50	AFGA	in-vitro
C[C@@H](N=C=S)c1ccccc1	2508190	QQCJPTVZIZVKEZ-MRVPVSSYSA-N	163.245	2.850	50	50	AFGA	biogenic,in-vitro
O=C=Nc1ccccc1C(F)(F)F	164810	GZWGTVZRRFPVAS-UHFFFAOYSA-N	187.120	2.673	50	50	AFGA	
Fc1cc(F)cc(N=C=S)c1	2389340	DXELGKWEMRVTGD-UHFFFAOYSA-N	171.171	2.699	50	50	AFGA	
O=C(Cl)Cc1ccc(Cl)cc1	2168258	UMQUIRYNOVNYPA-UHFFFAOYSA-N	189.041	2.648	50	50	AFGA	in-vitro
Cc1cc(C)c(N=C=O)c(Cl)c1	2509906	GRPKAFNBYGDGCX-UHFFFAOYSA-N	181.622	2.924	50	50	AFGA	
CC(C)(C)SC(=O)Cl	39234131	IFVLGABUISIOQQ-UHFFFAOYSA-N	152.646	2.877	50	50	AFGA	
F[C@H](Cl)[C@H](Cl)C(F)(F)F	95671281	IRCLJRMKYIULFK-LWMBPPNESA-N	184.947	2.691	50	50	AFGA	
CC[C@H](C)SC(=O)Cl	39475967	QMEKFEIJHUSKSJ-BYPYZUCNSA-N	152.646	2.877	50	50	AFGA	
C[C@H](Br)c1nccs1	79438309	YGEBLAJDJLNGHM-BYPYZUCNSA-N	192.081	2.599	50	50	AFGA	in-vitro
ClC/C=C/c1ccccc1	1687033	IWTYTFSSTWXZFU-QPJJXVBHSA-N	152.624	2.939	50	50	AFGA	in-vitro
Cc1ccc(Cl)c(N=C=O)c1	2387325	VLYGFJNRCFKJOB-UHFFFAOYSA-N	167.595	2.616	50	50	AFGA	in-vitro
O=C(Cl)c1cc2ccccc2o1	1627448	ZJDRDTZQVOCKPI-UHFFFAOYSA-N	180.590	2.812	50	50	AFGA	in-vitro
BrC[C@H]1C[C@H]2C=C[C@H]1C2	115016527	XCDJEPZLSGMJSM-BIIVOSGPSA-N	187.080	2.594	50	50	AFGA	
Cc1oc(-c2ccco2)nc1CCl	16124785	VAZMGBANZTXFDE-UHFFFAOYSA-N	197.621	2.982	50	50	AFGA	in-vitro
CN[C@@H](C)[C@@H](Cl)c1ccccc1	62719289	HZCQDJZPLJOGQS-WCBMZHEXSA-N	183.682	2.574	50	50	AFGA	in-vitro
CC(C)C/C=C(\C=O)C(C)C	2009354	IOLQAHFPDADCHJ-UXBLZVDNSA-N	154.253	2.814	50	50	AFGA	endogenous,in-man
CC(C)(C)C#C/C=C/CCl	2525704	ZIXABMZBMHDFEZ-GQCTYLIASA-N	156.656	2.831	50	50	AFGA	in-vitro
O=C=Nc1cccc2ccccc12	152343	BDQNKCYCTYYMAA-UHFFFAOYSA-N	169.183	2.807	50	50	AFGA	in-vitro
O=C(Cl)Cc1ccccc1Cl	6095274	WIHSAOYVGKVRJX-UHFFFAOYSA-N	189.041	2.648	50	50	AFGA	in-vitro
C=C(/C=C/OC)O[Si](C)(C)C	169743076	SHALBPKEGDBVKK-VOTSOKGWSA-N	172.300	2.512	50	50	AFGA	
O=C(Cl)c1ccc(Cl)c(F)c1	2576789	HJMGUKOEVZJUAO-UHFFFAOYSA-N	193.004	2.858	50	50	AFGA	in-vitro
OOCCC/C=C/c1ccccc1	64858401	MQSMIOKTOYAPHO-WEVVVXLNSA-N	178.231	2.970	50	50	AFGA	in-vitro
COc1ccc(N=C=S)c(C)c1	2528087	CXIJSTYYDYSTCX-UHFFFAOYSA-N	179.244	2.738	50	50	AFGA	in-vitro
CCc1cc(C)cc(C(=O)Cl)c1	67802574	UITJTIQBZAKYTO-UHFFFAOYSA-N	182.650	2.936	50	50	AFGA	
CCOC(=N)[C@@H](Cl)c1ccccc1	101018932	XDZQJMYSJJLLAT-VIFPVBQESA-N	197.665	2.980	50	50	AFGA	
CCCCOc1ccc(N=C=O)cc1	2384719	ASFIDVOMDQBCNP-UHFFFAOYSA-N	191.230	2.833	50	50	AFGA	
FC(F)(F)[C@H](Cl)Br	8220828	BCQZXOMGPXTTIC-SFOWXEAESA-N	197.381	2.509	50	50	AFGA	world
CC(C)O[Si](C)(C)OC(C)C	195764934	BPXCAJONOPIXJI-UHFFFAOYSA-N	176.332	2.538	50	50	AFGA	
ClCCCOCc1ccccc1	1693312	XYQPOKBAQDQMQP-UHFFFAOYSA-N	184.666	2.832	50	50	AFGA	in-vitro
O=C(Cl)c1ccc2cnccc2c1	202031739	ARIFHWKMKOFQAP-UHFFFAOYSA-N	191.617	2.614	50	50	AFGA	
CC(C)=CO[Si](C)(C)C	170155439	KZVPFSJPLBOVLO-UHFFFAOYSA-N	144.290	2.762	50	50	AFGA	
CC(C)c1ccccc1N=C=O	2560432	MWBSQVPLYJZPTG-UHFFFAOYSA-N	161.204	2.777	50	50	AFGA	in-vitro
C[C@H](Br)c1ccccn1	20551451	NXZNOPMZKPTBHC-LURJTMIESA-N	186.052	2.538	50	50	AFGA	
C[C@@H]1CCCC/C1=C\C#N	101139365	CKXFDXISILXMDA-GTUWVTDSSA-N	135.210	2.646	50	50	AFGA	
ClCCCc1ccccc1	1747835	XZBXAYCCBFTQHH-UHFFFAOYSA-N	154.640	2.858	50	50	AFGA	in-vitro
Cc1c(N=C=S)cccc1[N+](=O)[O-]	15443860	LQXPQPDCGJQJGW-UHFFFAOYSA-N	194.215	2.638	50	50	AFGA	
CC(C)(C)[C@]1(O)CCCC[C@H]1Cl	43762891	FBYHIVMBFRJGEZ-SCZZXKLOSA-N	190.714	2.945	50	50	AFGA	
COc1cccc2c1[C@H]1C=C(C#N)[C@H]2C1	100941018	MOCHAKQBQWCEQE-GZMMTYOYSA-N	197.237	2.730	50	50	AFGA	
C=CC(=C)O[Si](C)(C)C	169840071	JOAPBVRQZQYKMS-UHFFFAOYSA-N	142.274	2.538	50	50	AFGA	in-vitro
ClCc1conc1C1CCC1	1536219972	ZIAGBWBCERBTGR-UHFFFAOYSA-N	171.627	2.681	50	50	AFGA	
CCCC/C=C/C=C(\C)C=O	3074782	XYZQOHQPHPAVPK-LQPGMRSMSA-N	152.237	2.878	50	50	AFGA	
Cc1ccc(OC(=S)Cl)cc1	395624	UNCAXIZUVRKBMN-UHFFFAOYSA-N	186.663	2.898	50	50	AFGA	in-vitro
Cc1ccc2nc(CCl)[nH]c2c1	13284710	CBRYYRQILDVDHH-UHFFFAOYSA-N	180.638	2.610	50	50	AFGA	in-vitro
CCOC(=O)c1cccc(CCl)c1	16123830	ZJNVMXXFCNKXLT-UHFFFAOYSA-N	198.649	2.602	50	50	AFGA	in-vitro
CCCCCCCCCCB(O)O	169746990	TUTSEMMBKGBUGD-UHFFFAOYSA-N	186.104	2.600	50	50	AFGA	in-vitro
Fc1ccc(CCl)cc1F	2560122	VTGRVYJPIVZZGS-UHFFFAOYSA-N	162.566	2.704	50	50	AFGA	in-vitro
CC(C)c1cc(CCl)on1	12396663	DXCHZEISFLMPFZ-UHFFFAOYSA-N	159.616	2.537	50	50	AFGA	in-vitro
Br[C@H]1Cc2ccccc21	54967596	AYNXHFRDABNHRX-QMMMGPOBSA-N	183.048	2.679	50	50	AFGA	in-vitro
CC(C)=CCC/C(C)=C/C=O	1529208	WTEVQBCEXWBHNA-JXMROGBWSA-N	152.237	2.878	50	50	AFGA	endogenous,in-man
Cc1cc(C)c(C(=O)Cl)c(C)c1	1632804	UKRQMDIFLKHCRO-UHFFFAOYSA-N	182.650	2.991	50	50	AFGA	in-vitro
C[C@H](CN=C=S)c1ccccc1	71791899	FGESWFIKOLPCKC-SECBINFHSA-N	177.272	2.893	50	50	AFGA	
C=C[Si](C)(C)O[Si](C)(C)C	169747813	MRRXLWNSVYPSRB-UHFFFAOYSA-N	174.392	2.768	50	50	AFGA	
Cc1cccc(NC(=O)[C@@H](C)Cl)c1	3887294	VOVIUZVPOZODGY-MRVPVSSYSA-N	197.665	2.561	50	50	AFGA	in-vitro
O=C(Cl)CCCOc1ccccc1	2389461	SYLRFDTUTMLVNM-UHFFFAOYSA-N	198.649	2.611	50	50	AFGA	
Cc1ccc(CCl)cc1	1583767	DMHZDOTYAVHSEH-UHFFFAOYSA-N	140.613	2.734	50	50	AFGA	
COc1ccc(C(=O)CCCl)cc1	1663886	FJBUZSAECLLZOL-UHFFFAOYSA-N	198.649	2.507	50	50	AFGA	in-vitro
CC[C@@H](C(=O)Cl)c1ccccc1	1760819	QGXMHCMPIAYMGT-SECBINFHSA-N	182.650	2.946	50	50	AFGA	
N#C/C=C/c1ccccc1Cl	2163483	PWWUUGALKZGDSD-HWKANZROSA-N	163.607	2.877	50	50	AFGA	
CC(F)(F)CCCCl	104716243	WNUNMKGCGQPROL-UHFFFAOYSA-N	142.576	2.661	50	50	AFGA	
BrCc1ccccc1	1586370	AGEZXYOZHKGVCM-UHFFFAOYSA-N	171.037	2.582	50	50	AFGA	in-vitro
ClC(Cl)C(Cl)Cl	8585904	QPFMBZIOSGYJDE-UHFFFAOYSA-N	167.850	2.594	50	50	AFGA	in-vitro
O=C(CCl)[C@H]1CCCC2(CC2)C1	575512866	URVHIJJDOJVADX-QMMMGPOBSA-N	186.682	2.765	50	50	AFGA	
O=C(Cl)/C=C/c1ccccc1F	2521287	JTDODVLEWOIHOB-AATRIKPKSA-N	184.597	2.604	50	50	AFGA	in-vitro
C[C@@H]1CCCC/C1=C/C#N	43559050	CKXFDXISILXMDA-WSQKDGNHSA-N	135.210	2.646	50	50	AFGA	
C/C(=C/C(=O)Cl)c1ccccc1	115323039	LHHGHDLKIQTTRT-FPLPWBNLSA-N	180.634	2.855	50	50	AFGA	
ClC[C@@H](Cl)C(Cl)Cl	2017294	BUQMVYQMVLAYRU-UWTATZPHSA-N	181.877	2.636	50	50	AFGA	
CCSC(SCC)=C(C#N)C#N	1083844	FJQWUIXBQMGVPS-UHFFFAOYSA-N	198.316	2.751	50	50	AFGA	
ClCc1cccnc1CCl	100154285	FDHDTLFJPYRSBM-UHFFFAOYSA-N	176.046	2.559	50	50	AFGA	
Cc1c(F)cccc1N=C=S	2506748	YZQYVLUFNMYFLM-UHFFFAOYSA-N	167.208	2.868	50	50	AFGA	
Cl[C@@H]1[C@H]2CC[C@@H](C2)[C@H]1Cl	254622820	FRNCOQMOHQNWML-VWDOSNQTSA-N	165.063	2.631	50	50	AFGA	
Cc1ccc(C(=O)CCCl)cc1	1668583	DAOWEVLVOUMCEY-UHFFFAOYSA-N	182.650	2.807	50	50	AFGA	in-vitro
CCc1ccc(C(=O)Cl)cc1	2140817	AVTLLLZVYYPGFX-UHFFFAOYSA-N	168.623	2.628	50	50	AFGA	in-vitro
O=P(Cl)(Cl)OCCCl	100739257	YRTAUZXAHQPFJV-UHFFFAOYSA-N	197.385	2.828	50	50	AFGA	in-vitro
Fc1ccc(N=C=S)cc1F	2555887	SVZKYXSJICYUOH-UHFFFAOYSA-N	171.171	2.699	50	50	AFGA	in-vitro
CCOC(=O)c1ccc(CCl)cc1	1713976	JTTXRFNOFFGPFI-UHFFFAOYSA-N	198.649	2.602	50	50	AFGA	
CCCCCCC(=O)Cl	2036078	UCVODTZQZHMTPN-UHFFFAOYSA-N	148.633	2.722	50	50	AFGA	
O=C(Cl)/C=C/c1ccc(F)cc1	2574175	GLBIKPKWQDIQCJ-ZZXKWVIFSA-N	184.597	2.604	50	50	AFGA	in-vitro
Cc1c(F)cc(F)cc1C(=O)Cl	255188906	MKWLAQKPNPSHEH-UHFFFAOYSA-N	190.576	2.652	50	50	AFGA	
CC(C)(C)c1nocc1CCl	1536220197	ZILCANFCNZPHHO-UHFFFAOYSA-N	173.643	2.711	50	50	AFGA	
CC(C)Oc1cccc(C(=O)Cl)c1	3882751	WPIMBZGVPVKFDT-UHFFFAOYSA-N	198.649	2.853	50	50	AFGA	in-vitro
Cc1cc(SC#N)cc(C)c1O	1693562	FAIBIGSVWBOKCX-UHFFFAOYSA-N	179.244	2.582	50	50	AFGA