smiles	zinc_id	inchikey	mwt	logp	reactive	purchasable	tranche_name	features
CCC[C@@](C)(CCl)C(C)C	87155620	QWIWXXFGQFYGJA-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
CCC[C@@H](CCl)C1CCCC1	130020984	GJBKMLBAENHVAU-JTQLQIEISA-N	174.715	3.832	50	20	AHGD	
C[C@@H](CCl)c1ccc(Cl)cc1	49779826	DKQQMMXIWRGAER-ZETCQYMHSA-N	189.085	3.682	50	20	AHGD	
ClCC1(C2CC2)CCCCC1	162187806	VPWFNANZMNYVBI-UHFFFAOYSA-N	172.699	3.586	50	20	AHGD	
CC(C)(CCl)C1CCCCC1	130005640	MCXQGTAWSJEPRL-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CCC[C@H](C)C[C@H](C)CCl	85044048	AWVARKJJRCJNDA-IUCAKERBSA-N	162.704	3.688	50	20	AHGD	
C[C@@H](CCl)CCc1cccs1	82765048	GBTZIAZIMIYILH-MRVPVSSYSA-N	188.723	3.556	50	20	AHGD	
CCC[C@H](CCl)[C@H](C)CC	87176841	KTWNWFMONPFMNI-RKDXNWHRSA-N	162.704	3.688	50	20	AHGD	
CC(C)C[C@@H](C)CCCCl	201642774	CJXJQSJNSAAQNB-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
CC[C@@H](CCl)[C@@H]1C[C@H]2CC[C@H]1C2	300943600	OBRFDACVKVHOQP-NAKRPEOUSA-N	186.726	3.688	50	20	AHGD	
ClCc1ccc2ccsc2c1	89195373	UIZLYZLTKRBOND-UHFFFAOYSA-N	182.675	3.640	50	20	AHGD	
CCCC[C@H](CCl)C(C)C	85044877	LOHWIHWDNJCHRJ-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
C[C@@H](CCl)CC1(C)CCCC1	306494678	BDFPSBIXSNCJSG-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
C[C@@H](CCl)CCC(C)(C)C	85044106	WWMCICWMYQPSJM-MRVPVSSYSA-N	162.704	3.688	50	20	AHGD	
CC[C@H](CCl)C[C@H](C)CC	84348852	TUGLDQAYBNWVMW-BDAKNGLRSA-N	162.704	3.688	50	20	AHGD	
CCC(CC)[C@@H](CC)CCl	87176850	WSPBVKOAOMHVNK-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
C[C@H](CCl)C[C@H]1C[C@H]2CC[C@H]1C2	251201367	KTIPCLYKRTVFLC-NAKRPEOUSA-N	186.726	3.688	50	20	AHGD	
C[C@H](CCl)C[C@@H]1CCC(F)(F)C1	300740169	AHNXMBJAEDYCCO-YUMQZZPRSA-N	196.668	3.687	50	20	AHGD	
Cc1cccc2c1[C@H](C)C[C@@H]2Cl	82618699	GZDVXHOGOJMTDE-SCZZXKLOSA-N	180.678	3.782	50	20	AHGD	in-vitro
C=C[C@@](C)(CCl)C[Si](C)(C)C	230929686	CSEDFXKRMGJCHZ-VIFPVBQESA-N	190.790	3.756	50	20	AHGD	
ClCCCCC1CCCC1	70651677	RAPGTERZFHWBIQ-UHFFFAOYSA-N	160.688	3.586	50	20	AHGD	
CC[C@H](CCl)Cc1ccsc1	85045369	SRQILXRHNKQOGK-QMMMGPOBSA-N	188.723	3.556	50	20	AHGD	
CCCCCC1(CCl)CCC1	85043168	DCGLARJASLRAAY-UHFFFAOYSA-N	174.715	3.976	50	20	AHGD	
CC[C@@H](CCl)[C@H]1C[C@H]2CC[C@H]1C2	300943604	OBRFDACVKVHOQP-XWLWVQCSSA-N	186.726	3.688	50	20	AHGD	
ClCCCc1ccsc1Cl	306721978	FGDODSJOUCCHMD-UHFFFAOYSA-N	195.114	3.573	50	20	AHGD	
CCC[C@@H](CCl)[C@H](C)CC	87176839	KTWNWFMONPFMNI-BDAKNGLRSA-N	162.704	3.688	50	20	AHGD	
C[C@H](CCl)CC1(C)CCCC1	306494680	BDFPSBIXSNCJSG-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
CC(C)[C@]1(CCl)CC=CCC1	306244730	PKLWXMBKVXMNQN-SNVBAGLBSA-N	172.699	3.608	50	20	AHGD	
CC[C@@H](CCl)[C@@H](C)C(C)C	306284176	CQIPLQOWCHVIGD-IUCAKERBSA-N	162.704	3.544	50	20	AHGD	
CC(C)C[C@](C)(CCl)C(C)C	156220165	QSMZCHCIRZNJTM-SNVBAGLBSA-N	176.731	3.934	50	20	AHGD	
CC(C)C[C@@](C)(CCl)C1CC1	160925351	ODAWUVKRHBZSMC-JTQLQIEISA-N	174.715	3.688	50	20	AHGD	
C[C@H](Cl)c1cccc2cccnc12	300727358	CGOHBJGQWJADAB-QMMMGPOBSA-N	191.661	3.535	50	20	AHGD	
CC(C)C[C@@H](CCl)C(C)C	85044874	HADWAKCBJHCBDD-VIFPVBQESA-N	162.704	3.544	50	20	AHGD	
CCCCCC1(CCl)CC1	85043299	QXKSFVYDLCMJEK-UHFFFAOYSA-N	160.688	3.586	50	20	AHGD	
C[C@@H](CCl)c1ccccc1Cl	78946183	MCSVLMAMPHCLJT-ZETCQYMHSA-N	189.085	3.682	50	20	AHGD	
CC(C)(CCl)CCC(F)(F)F	307740552	ONHLIVJDDVEJON-UHFFFAOYSA-N	188.620	3.594	50	20	AHGD	
CC(C)[C@H](C)C1(CCl)CCC1	306592086	QUBGNIULVUHMNS-VIFPVBQESA-N	174.715	3.688	50	20	AHGD	
CCCC[C@@H](CCl)CCC	85044643	JEXLSZMXSQQMBR-VIFPVBQESA-N	162.704	3.832	50	20	AHGD	
CC(C)C1(CCl)CCCCC1	87155617	IFMCDGMEYBZYDA-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CC(C)[C@@]1(CCl)C[C@H]2CC[C@H]1C2	251370067	XBZVHMNZJHSVFR-DCAQKATOSA-N	186.726	3.688	50	20	AHGD	
CC(C)[C@@]1(CCl)CC=CCC1	306244729	PKLWXMBKVXMNQN-JTQLQIEISA-N	172.699	3.608	50	20	AHGD	
CC[C@H](C)[C@]1(CCl)CC=CCC1	306388773	PNBGLHYWZYMFSO-WDEREUQCSA-N	186.726	3.998	50	20	AHGD	
Cc1cccc2c1[C@@H](C)C[C@H]2Cl	82618702	GZDVXHOGOJMTDE-WCBMZHEXSA-N	180.678	3.782	50	20	AHGD	in-vitro
CC[C@H](C)C[C@@H](CC)CCl	84348849	TUGLDQAYBNWVMW-DTWKUNHWSA-N	162.704	3.688	50	20	AHGD	
CC(C)CCC1(CCl)CCC1	85043167	JUSLQFHWDJXGCS-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CC(C)C[C@](C)(CCl)C1CC1	160925481	ODAWUVKRHBZSMC-SNVBAGLBSA-N	174.715	3.688	50	20	AHGD	
CCC[C@@H](C)C1(CCl)CCC1	233273448	RVZNGBCUNFDKCM-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
ClCC1(c2ccccc2)CCCC1	49779828	WKMVWNFHFNNMJS-UHFFFAOYSA-N	194.705	3.737	50	20	AHGD	
CCC1(CCl)CCCCC1	85043373	APJJRHMNWJRCHW-UHFFFAOYSA-N	160.688	3.586	50	20	AHGD	
CCC(CC)(CCl)C1CCC1	161625912	CJGUBJFDAGJERX-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CCC(C)(C)CCCBr	202340400	LTBAGDLUWUBZEI-UHFFFAOYSA-N	193.128	3.598	50	20	AHGD	
CC(C)(C)[C@@H](CCl)C1CCC1	161649214	SNWBMOSQXBSADN-VIFPVBQESA-N	174.715	3.688	50	20	AHGD	
CC[C@](C)(CCl)CC(F)(F)F	307559758	YJAWIAACGMAPHL-LURJTMIESA-N	188.620	3.594	50	20	AHGD	
ClC[C@H]1CCCC12CCCCC2	307522254	BRHGEARMTFFWEE-SNVBAGLBSA-N	186.726	3.976	50	20	AHGD	
CCC[C@H](CCl)C(C)(C)C	162498237	YLPZKCXGASQKMB-MRVPVSSYSA-N	162.704	3.688	50	20	AHGD	
CC[C@@H](C)CC(C)(C)CCl	85042847	OSXUTCLBBXNCCT-MRVPVSSYSA-N	162.704	3.688	50	20	AHGD	
CC[C@H](C)C1(CCl)CCCC1	87176727	XIHCAMRARGHNKR-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
C=CC[C@@H](CCl)C1CCCC1	307704656	TWNDELSDAOBPJK-JTQLQIEISA-N	172.699	3.608	50	20	AHGD	
CC[C@H](C)[C@@H](C)C1(CCl)CC1	307743518	ZLPYWIIYGDGRFW-DTWKUNHWSA-N	174.715	3.688	50	20	AHGD	
CC[C@H](C)[C@@]1(CCl)C[C@@H]2C[C@@H]2C1	252033199	ZQTCYHKIHUVGLE-MMWGEVLESA-N	186.726	3.688	50	20	AHGD	
ClCC1(C2CCC2)CCCCC1	161624939	KMCCVIZVTVMPQG-UHFFFAOYSA-N	186.726	3.976	50	20	AHGD	
CC(C)C[C@H](C)C(C)(C)CCl	307620283	INCUPNNNCNQOAM-VIFPVBQESA-N	176.731	3.934	50	20	AHGD	
CC[C@H](CCl)CC1=CCCC1	307703150	QTQQMBJWDFKODN-VIFPVBQESA-N	172.699	3.752	50	20	AHGD	
C[C@@H]1CCC[C@H](CCCCl)C1	70780746	VWRGQRAQOLCBKH-NXEZZACHSA-N	174.715	3.832	50	20	AHGD	
CC(C)=CCC[C@@H](C)CCl	238379477	YKYASBYQGCLRJE-SECBINFHSA-N	160.688	3.608	50	20	AHGD	
CC1(C)C=C(O[Si](C)(C)C)CC1	169998889	LXCCPQVEHFWKCB-UHFFFAOYSA-N	184.355	3.542	50	20	AHGD	
C[C@@H](Cl)c1cccc2cccnc12	300727357	CGOHBJGQWJADAB-MRVPVSSYSA-N	191.661	3.535	50	20	AHGD	
C[C@H](CCl)CC1CCCCC1	82764865	QTNPBEBAFXIZPT-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
CC[C@@H](C)[C@]1(CCl)CC=CCC1	306388770	PNBGLHYWZYMFSO-GHMZBOCLSA-N	186.726	3.998	50	20	AHGD	
CSCCC1(CCl)CCCC1	131881274	HTUNZWXBQBMIQY-UHFFFAOYSA-N	192.755	3.539	50	20	AHGD	
CC[C@@H](CCl)c1ccccc1F	86369578	GSTHEDVZCACJPP-QMMMGPOBSA-N	186.657	3.558	50	20	AHGD	
CC[C@](C)(CCl)C[Si](C)(C)C	230929024	ROSIQVNOLFNTHL-SECBINFHSA-N	192.806	3.980	50	20	AHGD	
CC(C)C[C@@]1(CCl)C[C@@H]2C[C@@H]2C1	251453239	XNAKXJWZDPALAG-URLYPYJESA-N	186.726	3.688	50	20	AHGD	
CC(C)[C@@](C)(CCl)C1CCC1	161650346	NJIWHWXYEOIOBN-SNVBAGLBSA-N	174.715	3.688	50	20	AHGD	
CC(C)C1CCC(CCl)CC1	84348769	BIHOLIHAXYEUSK-UHFFFAOYSA-N	174.715	3.688	50	20	AHGD	
CC[C@H](CCl)c1cccc(F)c1	86367708	GBYNVWHEILCLMP-MRVPVSSYSA-N	186.657	3.558	50	20	AHGD	
ClCC1(C2CCCCC2)CC1	130011820	MQAFOVVERBBMSV-UHFFFAOYSA-N	172.699	3.586	50	20	AHGD	
CC[C@@H](C)[C@H](C)C1(CCl)CC1	307743517	ZLPYWIIYGDGRFW-BDAKNGLRSA-N	174.715	3.688	50	20	AHGD	
CC(C)CC1(CCl)C[C@@H]2C[C@H]2C1	158236200	XNAKXJWZDPALAG-UWVGGRQHSA-N	186.726	3.688	50	20	AHGD	
CC[C@H](C)[C@H](C)[C@@H](C)CCl	200193230	FOWRKPPIUGRSLN-CIUDSAMLSA-N	162.704	3.544	50	20	AHGD	
Cc1cccc2c1[C@@H](C)C[C@@H]2Cl	82618700	GZDVXHOGOJMTDE-WPRPVWTQSA-N	180.678	3.782	50	20	AHGD	in-vitro
CC[C@H](C)[C@@H](CCl)C(C)(C)C	162500387	YEDXDWRTMZQEJG-DTWKUNHWSA-N	176.731	3.934	50	20	AHGD	
CCC[C@@H](C)C(C)(C)CCl	233273122	LJYXFDWRJHRPNM-MRVPVSSYSA-N	162.704	3.688	50	20	AHGD	
C[C@@H](CCl)C[C@@H]1CCC(F)(F)C1	300740165	AHNXMBJAEDYCCO-SFYZADRCSA-N	196.668	3.687	50	20	AHGD	
C[C@H]1CCC[C@@H](CCCCl)C1	70780753	VWRGQRAQOLCBKH-UWVGGRQHSA-N	174.715	3.832	50	20	AHGD	
CC(C)CC1(CCl)C[C@H]2C[C@@H]2C1	158236059	XNAKXJWZDPALAG-NXEZZACHSA-N	186.726	3.688	50	20	AHGD	
CC[C@H](C)[C@H](CCl)C(C)(C)C	162500646	YEDXDWRTMZQEJG-IUCAKERBSA-N	176.731	3.934	50	20	AHGD	
CC(C)(CCl)CC1CCCC1	85042751	YSPRXLLSAGCQGZ-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CC(C)(CCl)[C@@H]1C[C@H]2CC[C@H]1C2	300901183	IYKTUXQRQARZAO-LPEHRKFASA-N	186.726	3.688	50	20	AHGD	
CC(C)C[C@@](C)(CCl)C(C)C	156220038	QSMZCHCIRZNJTM-JTQLQIEISA-N	176.731	3.934	50	20	AHGD	
C=C[C@@](C)(CCl)CCCC	167333329	VDFCDTMJGYIINA-SECBINFHSA-N	160.688	3.608	50	20	AHGD	
ClCC1(CC2CCCC2)CC1	85043256	VGUAPSJTGLQBKO-UHFFFAOYSA-N	172.699	3.586	50	20	AHGD	
CC(C)CCC[C@H](C)CCl	82765072	GQOXGLGIJBSUPF-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
CCC[C@]1(CCl)C[C@H]2CC[C@H]1C2	251185022	SGOKRRIZWQYFLP-GARJFASQSA-N	186.726	3.832	50	20	AHGD	
CC[C@@H](C)[C@@]1(CCl)CC=CCC1	306388771	PNBGLHYWZYMFSO-MNOVXSKESA-N	186.726	3.998	50	20	AHGD	
C[C@@H](CCl)CC1CCCCC1	82764866	QTNPBEBAFXIZPT-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
Fc1cc(CCl)cc(C(F)F)c1	1898225457	DDHHQUWWQHXUSA-UHFFFAOYSA-N	194.583	3.502	50	20	AHGD	
CC1(CC2(CCl)CC2)CCCC1	306309375	RQCAMHJKAGCTQM-UHFFFAOYSA-N	186.726	3.976	50	20	AHGD	
C[C@H](CCl)c1cccc(Cl)c1	78946171	MMNGNZSJGPWTKB-SSDOTTSWSA-N	189.085	3.682	50	20	AHGD	
CC[C@H](CCl)Cc1cccs1	85045130	UBOWNHDKVPBDRR-QMMMGPOBSA-N	188.723	3.556	50	20	AHGD	
CC[C@H](C)C[C@H](CC)CCl	84348856	TUGLDQAYBNWVMW-IUCAKERBSA-N	162.704	3.688	50	20	AHGD	
CC[C@H](CCl)c1ccccc1F	86369580	GSTHEDVZCACJPP-MRVPVSSYSA-N	186.657	3.558	50	20	AHGD	
C[C@H](CCl)C[C@H]1CCCC1(F)F	306575374	JIFBJXRKVMCIAC-JGVFFNPUSA-N	196.668	3.687	50	20	AHGD	
CC[C@@H](CCl)C[Si](C)(C)C	230929049	ZFOVBHYRNVIAOS-QMMMGPOBSA-N	178.779	3.590	50	20	AHGD	
FC1(F)CCC[C@@H](CCCCl)C1	300757193	KJUCDZPYIRADCZ-QMMMGPOBSA-N	196.668	3.831	50	20	AHGD	
FC1(c2ccc(CCl)cc2)CCC1	2298025401	SUQMVCYMSGWZBH-UHFFFAOYSA-N	198.668	3.774	50	20	AHGD	
C[C@@H](CCl)CCC1CCCC1	82764898	TUZRGHISVBNLIS-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
CCC(CC)(CC)CBr	83822298	ZZYJYPWMBNNJSN-UHFFFAOYSA-N	193.128	3.598	50	20	AHGD	
C[C@@H](CCl)C[C@H]1C[C@H]2CC[C@H]1C2	251201374	KTIPCLYKRTVFLC-RCWTZXSCSA-N	186.726	3.688	50	20	AHGD	
C=C(C)C[C@H](CCl)CCC	104722651	JPIXGSFRJKFYQX-SECBINFHSA-N	160.688	3.608	50	20	AHGD	
C=CCC1(CCl)CCCCC1	306179699	WQSUNJHADLCXAM-UHFFFAOYSA-N	172.699	3.752	50	20	AHGD	
CC[C@@H](CCl)Cc1cccs1	85045131	UBOWNHDKVPBDRR-MRVPVSSYSA-N	188.723	3.556	50	20	AHGD	
FC(F)(F)[C@@H](Cl)c1ccccc1	58138470	GIZBYELHYIBHIR-ZETCQYMHSA-N	194.583	3.529	50	20	AHGD	
C=C[C@](C)(CCl)CCCC	167333216	VDFCDTMJGYIINA-VIFPVBQESA-N	160.688	3.608	50	20	AHGD	
CC[C@](C)(CCl)[C@H](C)C(C)C	307741700	RQXJYGWBIDUXSD-NXEZZACHSA-N	176.731	3.934	50	20	AHGD	
CCCC(CC)(CC)CCl	80481582	IAUYDDPOQYWGOG-UHFFFAOYSA-N	162.704	3.832	50	20	AHGD	
C[C@@H](CCl)C[C@H]1CCCC1(F)F	306575373	JIFBJXRKVMCIAC-HTQZYQBOSA-N	196.668	3.687	50	20	AHGD	
C=C[C@](C)(CCl)C[Si](C)(C)C	230929688	CSEDFXKRMGJCHZ-SECBINFHSA-N	190.790	3.756	50	20	AHGD	
CC[C@H](CCl)[C@H](C)C(C)C	306284177	CQIPLQOWCHVIGD-RKDXNWHRSA-N	162.704	3.544	50	20	AHGD	
CC[C@@H](C)C[C@@H](CC)CCl	84348846	TUGLDQAYBNWVMW-RKDXNWHRSA-N	162.704	3.688	50	20	AHGD	
ClCC1(C2CCC2)CCCC1	161625092	LJWORCQOGMVROH-UHFFFAOYSA-N	172.699	3.586	50	20	AHGD	
CCC(CC)[C@H](CC)CCl	87176851	WSPBVKOAOMHVNK-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
ClCC1(C2CCCC2)CCCC1	130012896	AZYOBGYJPRNHSF-UHFFFAOYSA-N	186.726	3.976	50	20	AHGD	
CCCC[C@@H](CCl)C(C)C	85044876	LOHWIHWDNJCHRJ-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
C=C(C)C[C@@H](CCl)CCC	104722647	JPIXGSFRJKFYQX-VIFPVBQESA-N	160.688	3.608	50	20	AHGD	
CCC[C@@H](CCl)[C@@H](C)CC	87176834	KTWNWFMONPFMNI-IUCAKERBSA-N	162.704	3.688	50	20	AHGD	
CC(C)(C)[C@@H]1CCC(Cl)=C(C#N)C1	669370455	KWDWJGCBYLDXDB-SECBINFHSA-N	197.709	3.849	50	20	AHGD	
CC(C)C[C@@H](C)C(C)(C)CCl	307620282	INCUPNNNCNQOAM-SECBINFHSA-N	176.731	3.934	50	20	AHGD	
CCC[C@](C)(CCl)C1CCC1	161625354	WRRJJAFCFFJDDJ-SNVBAGLBSA-N	174.715	3.832	50	20	AHGD	
CCC[C@@H](CCl)C(C)(C)C	162498129	YLPZKCXGASQKMB-QMMMGPOBSA-N	162.704	3.688	50	20	AHGD	
CC(C)[C@@H](C)C(C)(C)CCl	307437274	QHZDQQMXRONGBE-MRVPVSSYSA-N	162.704	3.544	50	20	AHGD	
CC[C@H](C)CC(C)(C)CCl	85042848	OSXUTCLBBXNCCT-QMMMGPOBSA-N	162.704	3.688	50	20	AHGD	
CC(C)=CCC[C@H](C)CCl	238443292	YKYASBYQGCLRJE-VIFPVBQESA-N	160.688	3.608	50	20	AHGD	
CC[C@H](C)[C@@]1(CCl)CC=CCC1	306388772	PNBGLHYWZYMFSO-QWRGUYRKSA-N	186.726	3.998	50	20	AHGD	
CCC[C@H](CCl)[C@@H](C)CC	87176836	KTWNWFMONPFMNI-DTWKUNHWSA-N	162.704	3.688	50	20	AHGD	
C[Si](C)(C)CC1(CCl)CCC1	230928979	NPPNMRGTHUFJNM-UHFFFAOYSA-N	190.790	3.734	50	20	AHGD	
CC[C@H](C)C1(CCl)C[C@H]2C[C@@H]2C1	126956698	ZQTCYHKIHUVGLE-IVZWLZJFSA-N	186.726	3.688	50	20	AHGD	
ClC[C@@H](C1CCCC1)C1CCC1	161651029	KCEJFZFORAZVBE-NSHDSACASA-N	186.726	3.832	50	20	AHGD	
ClCCCc1csc(Cl)c1	307345558	VZYJMUSGZKQEAW-UHFFFAOYSA-N	195.114	3.573	50	20	AHGD	
CC[C@H](C)[C@H](C)C1(CCl)CC1	307743519	ZLPYWIIYGDGRFW-IUCAKERBSA-N	174.715	3.688	50	20	AHGD	
CC(C)(C)CC(C)(C)CCl	104735947	AWJLAPBZNYYURW-UHFFFAOYSA-N	162.704	3.688	50	20	AHGD	
CC[C@@H](C)[C@H](C)C(C)(C)CCl	307742873	WUACVOGSMLCWBX-BDAKNGLRSA-N	176.731	3.934	50	20	AHGD	
C=CC[C@@H](CCl)CCCC	307431598	XWLVHIYHMHTNDY-SECBINFHSA-N	160.688	3.608	50	20	AHGD	
ClCCCc1sccc1Cl	229949801	GHLIKZWCHFUANE-UHFFFAOYSA-N	195.114	3.573	50	20	AHGD	
CC(C)(CCl)C[Si](C)(C)C	230928946	TZRRTCNAHXXPOV-UHFFFAOYSA-N	178.779	3.590	50	20	AHGD	
CC(C)[C@]1(CCl)C[C@H]2CC[C@H]1C2	251370069	XBZVHMNZJHSVFR-GARJFASQSA-N	186.726	3.688	50	20	AHGD	
CC(C)[C@H](C)C(C)(C)CCl	307437276	QHZDQQMXRONGBE-QMMMGPOBSA-N	162.704	3.544	50	20	AHGD	
CC[C@H](C)CC1(CCl)CCC1	85043221	NGMCDAUNFCEHQW-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
C=CCC(CC)(CC)CCl	306217140	CQOMDBMRHQTRQK-UHFFFAOYSA-N	160.688	3.608	50	20	AHGD	
CC[C@](C)(CCl)c1ccccc1	83822279	FZIUWYQFYWIJRJ-LLVKDONJSA-N	182.694	3.593	50	20	AHGD	
CCCCCC[C@H](C)CCl	2581455	LYHDXORLNRSUSE-VIFPVBQESA-N	162.704	3.832	50	20	AHGD	
CCC[C@H](C)C[C@@H](C)CCl	85044046	AWVARKJJRCJNDA-DTWKUNHWSA-N	162.704	3.688	50	20	AHGD	
C[C@@H](CCl)C[C@@H]1C[C@H]2CC[C@H]1C2	251201380	KTIPCLYKRTVFLC-VPOLOUISSA-N	186.726	3.688	50	20	AHGD	
CC[C@@](C)(CCl)[C@H](C)C(C)C	307741703	RQXJYGWBIDUXSD-ZJUUUORDSA-N	176.731	3.934	50	20	AHGD	
FC1(F)CCCC[C@@H]1CCCCl	306549230	CBKJORRFZRWKRB-MRVPVSSYSA-N	196.668	3.831	50	20	AHGD	
CC[C@@H](CCl)C1CCCCC1	130022667	UAPRJXCRSFZGGK-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
CCCC[C@](C)(CC)CCl	85043798	WKNRKIUBERVFIV-VIFPVBQESA-N	162.704	3.832	50	20	AHGD	
C[C@H](CCl)C1CCCCCC1	130018155	DMWJMBVKRCCWKF-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
C[C@@H](CCl)C1CCCCCC1	130017965	DMWJMBVKRCCWKF-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
CCCCCCC1(CCl)CC1	85043278	AYZNOYOIAYOAIF-UHFFFAOYSA-N	174.715	3.976	50	20	AHGD	
CC[C@@H](C)CC1(CCl)CCC1	85043220	NGMCDAUNFCEHQW-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
CC(C)CCC(C)(C)CCl	85042792	NUXIPEKYTWQUBM-UHFFFAOYSA-N	162.704	3.688	50	20	AHGD	
CCCCC[C@H](CC)CCl	85045223	LSJGTKZLAOVGHT-VIFPVBQESA-N	162.704	3.832	50	20	AHGD	
C[C@H]1CCC[C@H](CCCCl)C1	70780748	VWRGQRAQOLCBKH-VHSXEESVSA-N	174.715	3.832	50	20	AHGD	
CCC[C@@]1(CCl)CC=CCC1	307442200	AAQONFBDWIEFFJ-SNVBAGLBSA-N	172.699	3.752	50	20	AHGD	
C[C@@H](CCl)c1cccc(Cl)c1	78946166	MMNGNZSJGPWTKB-ZETCQYMHSA-N	189.085	3.682	50	20	AHGD	
CCC[C@@H](C)C[C@H](C)CCl	85044047	AWVARKJJRCJNDA-BDAKNGLRSA-N	162.704	3.688	50	20	AHGD	
CC(C)c1cccc(OC(=O)Cl)c1	167060698	CCEZRCFZNXFCJW-UHFFFAOYSA-N	198.649	3.548	50	20	AHGD	
CCC[C@H](CCl)c1ccccc1	49779797	OMCKNCCLQJXVEQ-LLVKDONJSA-N	182.694	3.809	50	20	AHGD	
C[C@@H]1CCC[C@@H](CCCCl)C1	70780751	VWRGQRAQOLCBKH-ZJUUUORDSA-N	174.715	3.832	50	20	AHGD	
CCC[C@@](C)(CC)CBr	85051456	TVMOJVHYNNGWLX-MRVPVSSYSA-N	193.128	3.598	50	20	AHGD	
CC[C@H](C)[C@H](C)[C@H](C)CCl	307525098	FOWRKPPIUGRSLN-YIZRAAEISA-N	162.704	3.544	50	20	AHGD	
CC[C@@H](CCl)CC1CCCC1	85045145	NWPQMBHEZISTKU-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
C[C@H](CCl)C[C@@H]1CCCC1(F)F	306575376	JIFBJXRKVMCIAC-YUMQZZPRSA-N	196.668	3.687	50	20	AHGD	
CC[C@@](C)(CCl)C1CCCC1	130018408	CXWWRTDXQBSRJZ-JTQLQIEISA-N	174.715	3.832	50	20	AHGD	
CCCC(C)(CCl)CCC	79567926	XSJVSAVAOIJIJF-UHFFFAOYSA-N	162.704	3.832	50	20	AHGD	
CCC[C@H](CCl)C1CCCC1	130021205	GJBKMLBAENHVAU-SNVBAGLBSA-N	174.715	3.832	50	20	AHGD	
C=CC[C@]1(CCl)C[C@H]2CC[C@H]1C2	306233888	MTBMKEXPXMILGR-GARJFASQSA-N	184.710	3.608	50	20	AHGD	
CC(C)C[C@]1(CCl)CC=CCC1	307315432	MJSYTBWPUQYQRA-NSHDSACASA-N	186.726	3.998	50	20	AHGD	
CC(C)C[C@@H](C)[C@H](C)CCl	306409505	MNTNTSXYHIRYEL-RKDXNWHRSA-N	162.704	3.544	50	20	AHGD	
CC(C)[C@H](CCl)C(C)(C)C	162490680	BECDUFDOASSUKH-QMMMGPOBSA-N	162.704	3.544	50	20	AHGD	
CC(C)(C)SCCCCCl	43646477	QBODMAHMLASNEA-UHFFFAOYSA-N	180.744	3.537	50	20	AHGD	
CCC[C@@]1(CCl)C[C@H]2CC[C@H]1C2	251185017	SGOKRRIZWQYFLP-DCAQKATOSA-N	186.726	3.832	50	20	AHGD	
CCC[C@@H](C)[C@@H](CC)CCl	78215926	RQLQXVRAAIGNNH-BDAKNGLRSA-N	162.704	3.688	50	20	AHGD	
CC[C@@](C)(CCl)[C@@H](C)C(C)C	307741701	RQXJYGWBIDUXSD-UWVGGRQHSA-N	176.731	3.934	50	20	AHGD	
C=CC[C@H](CCl)C1CCCC1	307704658	TWNDELSDAOBPJK-SNVBAGLBSA-N	172.699	3.608	50	20	AHGD	
C[C@H](CCl)CCC1CCCC1	82764897	TUZRGHISVBNLIS-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
CC[C@@](C)(CCl)CC(F)(F)F	307559759	YJAWIAACGMAPHL-ZCFIWIBFSA-N	188.620	3.594	50	20	AHGD	
ClC[C@]1(C2CCC2)CC=CCC1	307347160	PVAJWDDANSTICJ-NSHDSACASA-N	184.710	3.752	50	20	AHGD	
CC(C)C[C@@H](C)C1(CCl)CC1	307608199	DAGIXFVORMXNOQ-SECBINFHSA-N	174.715	3.688	50	20	AHGD	
CCC(CC)C[C@@H](C)CCl	87175283	ONLYPQZHPBRIRY-MRVPVSSYSA-N	162.704	3.688	50	20	AHGD	
C[C@H](CCl)C[C@H]1CCC(F)(F)C1	300740160	AHNXMBJAEDYCCO-JGVFFNPUSA-N	196.668	3.687	50	20	AHGD	
CCCCC[C@@H](CC)CCl	85045222	LSJGTKZLAOVGHT-SECBINFHSA-N	162.704	3.832	50	20	AHGD	
CC[C@H](CCl)C1CCCCC1	130022875	UAPRJXCRSFZGGK-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
CC[C@@H](C)[C@](C)(CC)CCl	87176805	PXHCIALOHCXIOQ-RKDXNWHRSA-N	162.704	3.688	50	20	AHGD	
CC(C)C[C@@]1(CCl)CC=CCC1	307315431	MJSYTBWPUQYQRA-LLVKDONJSA-N	186.726	3.998	50	20	AHGD	
C[C@H](CCl)c1ccccc1Cl	78946187	MCSVLMAMPHCLJT-SSDOTTSWSA-N	189.085	3.682	50	20	AHGD	
CCC[C@H](C)C1(CCl)CCC1	233327353	RVZNGBCUNFDKCM-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
CC[C@H](CCl)c1ccc(C)cc1	49779799	DGKIWZYEVYCLSR-SNVBAGLBSA-N	182.694	3.727	50	20	AHGD	
CC(C)(CCl)[C@H]1C[C@H]2CC[C@H]1C2	300901179	IYKTUXQRQARZAO-GUBZILKMSA-N	186.726	3.688	50	20	AHGD	
CC(C)C[C@@H](C)[C@@H](C)CCl	306409500	MNTNTSXYHIRYEL-BDAKNGLRSA-N	162.704	3.544	50	20	AHGD	
ClC[C@H](C1CCCC1)C1CCC1	161650889	KCEJFZFORAZVBE-LLVKDONJSA-N	186.726	3.832	50	20	AHGD	
CCCC[C@H](CCl)CCC	85044642	JEXLSZMXSQQMBR-SECBINFHSA-N	162.704	3.832	50	20	AHGD	
CC[C@@H](C)C1(CCl)CCCC1	87176725	XIHCAMRARGHNKR-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
ClCCCc1ccc(Cl)s1	60711310	NKZVTDPILZGAHK-UHFFFAOYSA-N	195.114	3.573	50	20	AHGD	
CC[C@H](CCl)c1cccc(C)c1	86357297	PTHWOBPZVDZKFZ-SNVBAGLBSA-N	182.694	3.727	50	20	AHGD	
CCC[C@@H](CCl)c1ccccc1	49779796	OMCKNCCLQJXVEQ-NSHDSACASA-N	182.694	3.809	50	20	AHGD	
CC[C@@H](CCl)[C@H](C)C(C)C	306284174	CQIPLQOWCHVIGD-BDAKNGLRSA-N	162.704	3.544	50	20	AHGD	
C[C@H](CCl)c1ccc(Cl)cc1	49779827	DKQQMMXIWRGAER-SSDOTTSWSA-N	189.085	3.682	50	20	AHGD	
CCCCC1(CCl)CCC1	85043117	KXIVDTQGZJRVRP-UHFFFAOYSA-N	160.688	3.586	50	20	AHGD	
CC[C@H](C)[C@](C)(CC)CCl	87176807	PXHCIALOHCXIOQ-DTWKUNHWSA-N	162.704	3.688	50	20	AHGD	
CC[C@@](C)(CCl)CC(C)C	85044194	GUZKZSGUBKTSMS-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
C[C@H](CCl)CCC(C)(C)C	85044105	WWMCICWMYQPSJM-QMMMGPOBSA-N	162.704	3.688	50	20	AHGD	
ClCCCCC1CCCCC1	70780710	MOYMSRFEQFNEOX-UHFFFAOYSA-N	174.715	3.976	50	20	AHGD	
CC(C)C[C@H](C)CCCCl	201642804	CJXJQSJNSAAQNB-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
ClCC1(CC2=CCCC2)CC1	306867033	OYIVRKIBBGMTMV-UHFFFAOYSA-N	170.683	3.506	50	20	AHGD	
ClCC1(CC2CCCCC2)CC1	203604019	NKDNPXUEVVZXAN-UHFFFAOYSA-N	186.726	3.976	50	20	AHGD	
CC(C)(CCl)Cc1ccsc1	85042840	QRKZJERSNCEMOQ-UHFFFAOYSA-N	188.723	3.556	50	20	AHGD	
ClC[C@@H]1CCCC12CCCCC2	307522251	BRHGEARMTFFWEE-JTQLQIEISA-N	186.726	3.976	50	20	AHGD	
CC[C@@H](CCl)c1ccc(F)cc1	49779819	BMGFTGZBZOGLJU-QMMMGPOBSA-N	186.657	3.558	50	20	AHGD	
CC(C)(C)CCCCCCl	70780602	TZFJGVMKUHBGJX-UHFFFAOYSA-N	162.704	3.832	50	20	AHGD	
CCC[C@@](C)(CCl)C1CCC1	161625221	WRRJJAFCFFJDDJ-JTQLQIEISA-N	174.715	3.832	50	20	AHGD	
CCC[C@]1(CCl)CC=CCC1	307442194	AAQONFBDWIEFFJ-JTQLQIEISA-N	172.699	3.752	50	20	AHGD	
CCCC1(CCl)CCCCC1	85043420	NSHPJCZKAZOQFO-UHFFFAOYSA-N	174.715	3.976	50	20	AHGD	
CC[C@@H](C)[C@@H](CCl)C(C)(C)C	162500255	YEDXDWRTMZQEJG-RKDXNWHRSA-N	176.731	3.934	50	20	AHGD	
CC[C@H](C)[C@@H](C)C(C)(C)CCl	307742874	WUACVOGSMLCWBX-DTWKUNHWSA-N	176.731	3.934	50	20	AHGD	
CC(C)(CCl)CC1=CCCC1	307655129	WQACCDAUZGFFFR-UHFFFAOYSA-N	172.699	3.752	50	20	AHGD	
ClCc1cc2sccc2s1	87794983	PUUGLBGYFDXAKH-UHFFFAOYSA-N	188.704	3.702	50	20	AHGD	
CCC[C@](C)(CCl)C(C)C	87155621	QWIWXXFGQFYGJA-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
CC(C)[C@@H](CCl)c1ccccc1	49779794	AXBNMPTWUWEFAH-LLVKDONJSA-N	182.694	3.665	50	20	AHGD	
ClCC1(CC2=CCCC2)CCC1	307024580	YZVIPSDOJBGHEM-UHFFFAOYSA-N	184.710	3.896	50	20	AHGD	
CCCCCC[C@@H](C)CCl	78675572	LYHDXORLNRSUSE-SECBINFHSA-N	162.704	3.832	50	20	AHGD	
CCC[C@H](CCl)CC(C)C	85044546	SCKHWAKTKFLFHG-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
CC(C)C[C@H](C)[C@H](C)CCl	306409501	MNTNTSXYHIRYEL-DTWKUNHWSA-N	162.704	3.544	50	20	AHGD	
CC(C)[C@@H](C)C1(CCl)CCC1	306592085	QUBGNIULVUHMNS-SECBINFHSA-N	174.715	3.688	50	20	AHGD	
FC1(F)CCCC[C@H]1CCCCl	306549232	CBKJORRFZRWKRB-QMMMGPOBSA-N	196.668	3.831	50	20	AHGD	
CC[C@@](C)(CCl)C[Si](C)(C)C	230929022	ROSIQVNOLFNTHL-VIFPVBQESA-N	192.806	3.980	50	20	AHGD	
CC[C@H](CCl)C[Si](C)(C)C	230929051	ZFOVBHYRNVIAOS-MRVPVSSYSA-N	178.779	3.590	50	20	AHGD	
CCCCC1(CCl)CCCC1	85043446	PMEZSXQSYWTVIN-UHFFFAOYSA-N	174.715	3.976	50	20	AHGD	
CCC[C@@H](CCl)CC(C)C	85044547	SCKHWAKTKFLFHG-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
CC[C@@H](C)[C@@H](C)C1(CCl)CC1	307743520	ZLPYWIIYGDGRFW-RKDXNWHRSA-N	174.715	3.688	50	20	AHGD	
CC[C@H](C)[C@H](C)C(C)(C)CCl	307742875	WUACVOGSMLCWBX-IUCAKERBSA-N	176.731	3.934	50	20	AHGD	
CCC(CC)C1(CCl)CCC1	87176712	VKXUNDSTMMKAPT-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CC(C)CC1(CCl)CCCC1	85043445	SQMFKRCQIDGNIR-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CC[C@H](C)[C@@H](C)[C@@H](C)CCl	200193170	FOWRKPPIUGRSLN-XHNCKOQMSA-N	162.704	3.544	50	20	AHGD	
CCC(CC)C(C)(C)CCl	87176675	XAMFFQSNDTYNQN-UHFFFAOYSA-N	162.704	3.688	50	20	AHGD	
CC[C@H](CCl)CCC(C)C	85045220	AWGPQITUWXQJFG-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
CC[C@H](CCl)[C@H]1C[C@H]2CC[C@H]1C2	300943605	OBRFDACVKVHOQP-ZRUFSTJUSA-N	186.726	3.688	50	20	AHGD	
CC(C)C[C@H](CCl)C(C)(C)C	160923093	IUYWQXSOBFSXBL-SECBINFHSA-N	176.731	3.934	50	20	AHGD	
CC[C@@H](C)[C@@]1(CCl)C[C@@H]2C[C@@H]2C1	252033196	ZQTCYHKIHUVGLE-CHWFTXMASA-N	186.726	3.688	50	20	AHGD	
C[C@H](Cl)c1ccc(Cl)s1	34343562	ZXZAJCQGPFBGCD-BYPYZUCNSA-N	181.087	3.701	50	20	AHGD	
C[C@@H](CCl)C[C@H]1CCC(F)(F)C1	300740155	AHNXMBJAEDYCCO-HTQZYQBOSA-N	196.668	3.687	50	20	AHGD	
CC[C@@H](CCl)c1ccccc1C	86337213	CQWOYJFAJCHDJQ-JTQLQIEISA-N	182.694	3.727	50	20	AHGD	
CCCCCC(C)(C)CCl	85042793	CHIUVJHCKKUJLH-UHFFFAOYSA-N	162.704	3.832	50	20	AHGD	
CC(C)C[C@@H](CCl)C(C)(C)C	160922968	IUYWQXSOBFSXBL-VIFPVBQESA-N	176.731	3.934	50	20	AHGD	
CCCCC(C)(C)CBr	83822073	GBNYMCZJWZKJPW-UHFFFAOYSA-N	193.128	3.598	50	20	AHGD	
CC(C)[C@H](CCl)c1ccccc1	49779795	AXBNMPTWUWEFAH-NSHDSACASA-N	182.694	3.665	50	20	AHGD	
CCC[C@H](C)[C@H](CC)CCl	78215929	RQLQXVRAAIGNNH-DTWKUNHWSA-N	162.704	3.688	50	20	AHGD	
C=CC[C@H](CCl)CCCC	307431599	XWLVHIYHMHTNDY-VIFPVBQESA-N	160.688	3.608	50	20	AHGD	
CCC[C@](C)(CC)CBr	85051457	TVMOJVHYNNGWLX-QMMMGPOBSA-N	193.128	3.598	50	20	AHGD	
ClCC1(C2CCCCC2)CCC1	130011210	TXLPFFOZYSCODI-UHFFFAOYSA-N	186.726	3.976	50	20	AHGD	
CC[C@H](CCl)c1ccc(F)cc1	49779820	BMGFTGZBZOGLJU-MRVPVSSYSA-N	186.657	3.558	50	20	AHGD	
CCC[C@H](C)[C@@H](CC)CCl	78215927	RQLQXVRAAIGNNH-IUCAKERBSA-N	162.704	3.688	50	20	AHGD	
ClC[C@H]1CCCC12CCCC2	306800714	PBGWTUBZUVLEHI-SECBINFHSA-N	172.699	3.586	50	20	AHGD	
CC[C@H](C)C1(CCl)C[C@@H]2C[C@H]2C1	252033198	ZQTCYHKIHUVGLE-GUBZILKMSA-N	186.726	3.688	50	20	AHGD	
CCC[C@@H](C)CC1(CCl)CC1	85043247	IQBKCANZKKVGLL-SECBINFHSA-N	174.715	3.832	50	20	AHGD	
CC(C)C[C@H](C)[C@@H](C)CCl	306409503	MNTNTSXYHIRYEL-IUCAKERBSA-N	162.704	3.544	50	20	AHGD	
CC(C)(CCl)Cc1cccs1	85042744	XSYDCNSLKLSLKO-UHFFFAOYSA-N	188.723	3.556	50	20	AHGD	
CC[C@@H](C)[C@H](CCl)C(C)(C)C	162500506	YEDXDWRTMZQEJG-BDAKNGLRSA-N	176.731	3.934	50	20	AHGD	
CC[C@@H](CCl)c1cccc(C)c1	86357296	PTHWOBPZVDZKFZ-JTQLQIEISA-N	182.694	3.727	50	20	AHGD	
CCCC[C@@](C)(CC)CCl	85043797	WKNRKIUBERVFIV-SECBINFHSA-N	162.704	3.832	50	20	AHGD	
CC[C@@H](CCl)CC1=CCCC1	307703149	QTQQMBJWDFKODN-SECBINFHSA-N	172.699	3.752	50	20	AHGD	
ClC[C@@H]1CCCC12CCCC2	306800715	PBGWTUBZUVLEHI-VIFPVBQESA-N	172.699	3.586	50	20	AHGD	
CC(C)CC(CCl)CC(C)C	85044433	PUDXXXNDQVUEHH-UHFFFAOYSA-N	176.731	3.934	50	20	AHGD	
CC(C)C[C@@H](CCl)C1CCC1	161627093	DJZIPNKWFRPVLG-JTQLQIEISA-N	174.715	3.688	50	20	AHGD	
C/C(O)=C/S(F)(F)(F)(F)F	100492503	ARBLCBSVDPRKET-IHWYPQMZSA-N	184.129	3.704	50	20	AHGD	
ClC[C@@]1(C2CCC2)CC=CCC1	307347159	PVAJWDDANSTICJ-LLVKDONJSA-N	184.710	3.752	50	20	AHGD	
CCCC1(CCl)CCCC1	85043506	MFNZJCVDKBQXMS-UHFFFAOYSA-N	160.688	3.586	50	20	AHGD	
ClCC1(C2CCCCCC2)CC1	130012036	MACPGIDHHLPIIT-UHFFFAOYSA-N	186.726	3.976	50	20	AHGD	
C[C@H](CCl)CCc1cccs1	82765047	GBTZIAZIMIYILH-QMMMGPOBSA-N	188.723	3.556	50	20	AHGD	
CCC(CC)C[C@H](C)CCl	87175287	ONLYPQZHPBRIRY-QMMMGPOBSA-N	162.704	3.688	50	20	AHGD	
C[C@@H](Cl)c1ccc(Cl)s1	34343563	ZXZAJCQGPFBGCD-SCSAIBSYSA-N	181.087	3.701	50	20	AHGD	
CC[C@@H](C)[C@@](C)(CC)CCl	87176801	PXHCIALOHCXIOQ-BDAKNGLRSA-N	162.704	3.688	50	20	AHGD	
CCC[C@@H](C)[C@H](CC)CCl	78215928	RQLQXVRAAIGNNH-RKDXNWHRSA-N	162.704	3.688	50	20	AHGD	
CC[C@H](CCl)c1ccccc1C	86337215	CQWOYJFAJCHDJQ-SNVBAGLBSA-N	182.694	3.727	50	20	AHGD	
C=CC[C@@]1(CCl)C[C@H]2CC[C@H]1C2	306233875	MTBMKEXPXMILGR-DCAQKATOSA-N	184.710	3.608	50	20	AHGD	
FC(F)(F)[C@H](Cl)c1ccccc1	58138479	GIZBYELHYIBHIR-SSDOTTSWSA-N	194.583	3.529	50	20	AHGD	
CC[C@H](C)[C@@](C)(CC)CCl	87176802	PXHCIALOHCXIOQ-IUCAKERBSA-N	162.704	3.688	50	20	AHGD	
CCC[C@@H](C)C[C@@H](C)CCl	85044045	AWVARKJJRCJNDA-RKDXNWHRSA-N	162.704	3.688	50	20	AHGD	
CC(C)(C)[C@H]1CCC(Cl)=C(C#N)C1	669370456	KWDWJGCBYLDXDB-VIFPVBQESA-N	197.709	3.849	50	20	AHGD	
CC[C@@H](CCl)c1cccc(F)c1	86367704	GBYNVWHEILCLMP-QMMMGPOBSA-N	186.657	3.558	50	20	AHGD	
CC[C@@](C)(CCl)c1ccccc1	83822277	FZIUWYQFYWIJRJ-NSHDSACASA-N	182.694	3.593	50	20	AHGD	
CC[C@@H](C)[C@@H](C)C(C)(C)CCl	307742876	WUACVOGSMLCWBX-RKDXNWHRSA-N	176.731	3.934	50	20	AHGD	
CC(C)(CCl)C(C)(C)CCl	196749403	LFDYGJCRYCBKDO-UHFFFAOYSA-N	183.122	3.516	50	20	AHGD	
CCC[C@H](C)CC1(CCl)CC1	85043248	IQBKCANZKKVGLL-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
CC[C@H](C)[C@@H](C)[C@H](C)CCl	307525094	FOWRKPPIUGRSLN-DJLDLDEBSA-N	162.704	3.544	50	20	AHGD	
CC1(CCCCl)CCCC1	117650262	XHOXQSPZBGWVOH-UHFFFAOYSA-N	160.688	3.586	50	20	AHGD	
C[C@@H](CCl)C[C@@H]1CCCC1(F)F	306575375	JIFBJXRKVMCIAC-SFYZADRCSA-N	196.668	3.687	50	20	AHGD	
CC(C)C[C@H](CCl)C(C)C	85044875	HADWAKCBJHCBDD-SECBINFHSA-N	162.704	3.544	50	20	AHGD	
CC(C)C[C@H](CCl)C1CCC1	161627163	DJZIPNKWFRPVLG-SNVBAGLBSA-N	174.715	3.688	50	20	AHGD	
CC[C@](C)(CCl)CC(C)C	85044193	GUZKZSGUBKTSMS-VIFPVBQESA-N	162.704	3.688	50	20	AHGD	
CC[C@@H](CCl)c1ccc(C)cc1	49779798	DGKIWZYEVYCLSR-JTQLQIEISA-N	182.694	3.727	50	20	AHGD	
CC(C)(C)[C@H](CCl)C1CCC1	161649322	SNWBMOSQXBSADN-SECBINFHSA-N	174.715	3.688	50	20	AHGD	
CC[C@H](CCl)[C@@H](C)C(C)C	306284175	CQIPLQOWCHVIGD-DTWKUNHWSA-N	162.704	3.544	50	20	AHGD	
Fc1ccc2ccccc2c1CCl	238622677	XDXUPEJAOPUYGX-UHFFFAOYSA-N	194.636	3.718	50	20	AHGD	
CC[C@H](CCl)[C@@H]1C[C@H]2CC[C@H]1C2	300943602	OBRFDACVKVHOQP-VLEAKVRGSA-N	186.726	3.688	50	20	AHGD	
CC[C@@H](CCl)CCC(C)C	85045221	AWGPQITUWXQJFG-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
FC1(F)CCC[C@H](CCCCl)C1	300757191	KJUCDZPYIRADCZ-MRVPVSSYSA-N	196.668	3.831	50	20	AHGD	
CC(C)[C@@H](CCl)C(C)(C)C	162490541	BECDUFDOASSUKH-MRVPVSSYSA-N	162.704	3.544	50	20	AHGD	
CCC[C@H](C)C(C)(C)CCl	233327126	LJYXFDWRJHRPNM-QMMMGPOBSA-N	162.704	3.688	50	20	AHGD	
CC1CCC(CCCCl)CC1	82856859	QCSAUKDJCGSATJ-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
ClCC1(CC2CCCC2)CCC1	85043131	DQBLACGAIPLLLH-UHFFFAOYSA-N	186.726	3.976	50	20	AHGD	
ClCc1ccc2sccc2c1	113302127	FHVWUFUVFAUXEN-UHFFFAOYSA-N	182.675	3.640	50	20	AHGD	
Cc1cccc2c1[C@H](C)C[C@H]2Cl	82618701	GZDVXHOGOJMTDE-PSASIEDQSA-N	180.678	3.782	50	20	AHGD	in-vitro
CC(C)[C@](C)(CCl)C1CCC1	161650462	NJIWHWXYEOIOBN-JTQLQIEISA-N	174.715	3.688	50	20	AHGD	
CC[C@](C)(CCl)[C@@H](C)C(C)C	307741702	RQXJYGWBIDUXSD-VHSXEESVSA-N	176.731	3.934	50	20	AHGD	
ClCC1(C2CCCC2)CCC1	130010997	GODDMWVDDQYYHU-UHFFFAOYSA-N	172.699	3.586	50	20	AHGD	
CCC(CC)(CCl)C(C)C	87155628	IUZPSJRHPCNYII-UHFFFAOYSA-N	162.704	3.688	50	20	AHGD	
CC(C)(C)CCC1(CCl)CC1	85043301	VTXADFULJAFUKK-UHFFFAOYSA-N	174.715	3.832	50	20	AHGD	
CC[C@H](CCl)CC1CCCC1	85045144	NWPQMBHEZISTKU-VIFPVBQESA-N	174.715	3.832	50	20	AHGD	
C[C@@H](CCl)CCc1ccsc1	82765052	ONBBYGVHDJKEPD-MRVPVSSYSA-N	188.723	3.556	50	20	AHGD	
CC(C)CCC[C@@H](C)CCl	82765071	GQOXGLGIJBSUPF-SECBINFHSA-N	162.704	3.688	50	20	AHGD	
CC(C)C[C@H](C)C1(CCl)CC1	307608200	DAGIXFVORMXNOQ-VIFPVBQESA-N	174.715	3.688	50	20	AHGD	
CC[C@](C)(CCl)C1CCCC1	130018628	CXWWRTDXQBSRJZ-SNVBAGLBSA-N	174.715	3.832	50	20	AHGD	
CC[C@@H](CCl)Cc1ccsc1	85045371	SRQILXRHNKQOGK-MRVPVSSYSA-N	188.723	3.556	50	20	AHGD	
C[C@H](CCl)C[C@@H]1C[C@H]2CC[C@H]1C2	251201388	KTIPCLYKRTVFLC-XWLWVQCSSA-N	186.726	3.688	50	20	AHGD	
C[C@H](CCl)CCc1ccsc1	82765051	ONBBYGVHDJKEPD-QMMMGPOBSA-N	188.723	3.556	50	20	AHGD